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 2np9_1_B DATA FIRST_RESID 11 DATA SEQUENCE TDGLWAALTE AAASVEKLLA TLPEHGARSS AERAEIAAAH DAARALRVRF DATA SEQUENCE LDTHADAVYD RLTDHRRVHL RLAELVEAAA TAFPGLVPTQ QQLAVERSLP DATA SEQUENCE QAAKEGHEID QGIFLRAVLR SPLAGPHLLD AMLRPTPRAL ELLPEFVRTG DATA SEQUENCE EVEMEAVHLE RRDGVARLTM CRDDRLNAED GQQVDDMETA VDLALLDPGV DATA SEQUENCE RVGLLRGGVM SHPRYRGKRV FSAGINLKYL SQGGISLVDF LMRRELGYIH DATA SEQUENCE KLVRGVLTND DRPGWWHSPR IEKPWVAAVD GFAIGGGAQL LLVFDRVLAS DATA SEQUENCE SDAYFSLPAA KEGIIPGAAN LRLGRFAGPR VSRQVILEGR RIWAKEPEAR DATA SEQUENCE LLVDEVVEPD ELDAAIERSL TRLDGDAVLA NRRMLNLADE SPDGFRAYMA DATA SEQUENCE EFALMQALRL YGHDVIDKVG RF 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 11 T HA 0.000 nan 4.350 nan 0.000 0.228 11 T C 0.000 174.786 174.700 0.143 0.000 1.109 11 T CA 0.000 62.186 62.100 0.143 0.000 1.349 11 T CB 0.000 68.961 68.868 0.155 0.000 0.612 12 D N 1.029 121.542 120.400 0.189 0.000 2.328 12 D HA 0.412 5.051 4.640 -0.000 0.000 0.221 12 D C 1.623 178.013 176.300 0.150 0.000 1.072 12 D CA 1.147 55.246 54.000 0.166 0.000 0.850 12 D CB -0.368 40.554 40.800 0.204 0.000 0.922 12 D HN 0.947 nan 8.370 nan 0.000 0.516 13 G N 0.526 109.416 108.800 0.150 0.000 2.212 13 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.266 13 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.266 13 G C 1.065 176.034 174.900 0.116 0.000 0.978 13 G CA 0.538 45.707 45.100 0.115 0.000 0.632 13 G HN 0.428 nan 8.290 nan 0.000 0.537 14 L N -0.825 120.509 121.223 0.186 0.000 2.046 14 L HA -0.038 4.301 4.340 -0.000 0.000 0.208 14 L C 2.660 179.579 176.870 0.082 0.000 1.077 14 L CA 2.042 57.001 54.840 0.199 0.000 0.747 14 L CB -0.396 41.892 42.059 0.382 0.000 0.896 14 L HN 0.581 nan 8.230 nan 0.000 0.432 15 W N 1.086 122.347 121.300 -0.065 0.000 2.363 15 W HA -0.216 4.443 4.660 -0.000 0.000 0.296 15 W C 2.385 178.792 176.519 -0.187 0.000 1.212 15 W CA 1.620 58.765 57.345 -0.333 0.000 1.260 15 W CB 0.006 29.284 29.460 -0.304 0.000 1.131 15 W HN 0.184 nan 8.180 nan 0.000 0.530 16 A N 1.031 123.796 122.820 -0.092 0.000 1.902 16 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 16 A C 2.177 179.638 177.584 -0.205 0.000 1.181 16 A CA 2.639 54.601 52.037 -0.125 0.000 0.623 16 A CB -1.285 17.717 19.000 0.004 0.000 0.818 16 A HN 0.297 nan 8.150 nan 0.000 0.443 17 A N -0.243 122.484 122.820 -0.155 0.000 1.845 17 A HA -0.050 4.270 4.320 -0.000 0.000 0.215 17 A C 2.148 179.594 177.584 -0.229 0.000 1.195 17 A CA 1.791 53.744 52.037 -0.140 0.000 0.616 17 A CB -0.841 18.117 19.000 -0.069 0.000 0.832 17 A HN 0.825 nan 8.150 nan 0.000 0.443 18 L N 0.081 121.104 121.223 -0.333 0.000 1.997 18 L HA -0.195 4.145 4.340 -0.000 0.000 0.216 18 L C 2.429 179.017 176.870 -0.470 0.000 1.074 18 L CA 3.052 57.642 54.840 -0.416 0.000 0.763 18 L CB -1.287 40.401 42.059 -0.619 0.000 0.890 18 L HN 0.417 nan 8.230 nan 0.000 0.434 19 T N -0.836 113.326 114.554 -0.652 0.000 2.699 19 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 19 T C 1.772 176.305 174.700 -0.278 0.000 1.036 19 T CA 1.658 63.456 62.100 -0.504 0.000 1.147 19 T CB -0.311 68.261 68.868 -0.492 0.000 0.862 19 T HN 0.375 nan 8.240 nan 0.000 0.446 20 E N 1.134 121.195 120.200 -0.231 0.000 2.077 20 E HA 0.014 4.363 4.350 -0.000 0.000 0.193 20 E C 2.218 178.737 176.600 -0.134 0.000 0.989 20 E CA 1.241 57.553 56.400 -0.147 0.000 0.800 20 E CB -0.548 29.083 29.700 -0.116 0.000 0.746 20 E HN 0.466 nan 8.360 nan 0.000 0.452 21 A N 0.468 123.197 122.820 -0.152 0.000 1.897 21 A HA 0.043 4.363 4.320 -0.000 0.000 0.215 21 A C 2.388 179.897 177.584 -0.124 0.000 1.181 21 A CA 1.749 53.713 52.037 -0.122 0.000 0.620 21 A CB -0.830 18.103 19.000 -0.112 0.000 0.821 21 A HN 0.329 nan 8.150 nan 0.000 0.443 22 A N -0.102 122.623 122.820 -0.158 0.000 1.933 22 A HA 0.175 4.495 4.320 -0.000 0.000 0.218 22 A C 2.431 179.944 177.584 -0.118 0.000 1.175 22 A CA 1.948 53.900 52.037 -0.141 0.000 0.628 22 A CB -0.839 18.053 19.000 -0.181 0.000 0.814 22 A HN 0.995 nan 8.150 nan 0.000 0.444 23 A N -0.701 122.048 122.820 -0.118 0.000 1.969 23 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 23 A C 2.384 179.920 177.584 -0.080 0.000 1.169 23 A CA 1.817 53.800 52.037 -0.091 0.000 0.635 23 A CB -0.670 18.279 19.000 -0.085 0.000 0.810 23 A HN 0.434 nan 8.150 nan 0.000 0.445 24 S N -0.434 115.215 115.700 -0.086 0.000 2.402 24 S HA -0.099 4.371 4.470 -0.000 0.000 0.229 24 S C 1.834 176.377 174.600 -0.094 0.000 1.021 24 S CA 1.276 59.429 58.200 -0.079 0.000 0.974 24 S CB -0.304 62.850 63.200 -0.076 0.000 0.800 24 S HN 0.335 nan 8.310 nan 0.000 0.484 25 V N 2.073 121.918 119.914 -0.114 0.000 2.358 25 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 25 V C 2.455 178.484 176.094 -0.109 0.000 1.047 25 V CA 1.458 63.663 62.300 -0.158 0.000 1.035 25 V CB -0.466 31.255 31.823 -0.170 0.000 0.658 25 V HN 0.377 nan 8.190 nan 0.000 0.452 26 E N 0.443 120.599 120.200 -0.074 0.000 2.152 26 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 26 E C 2.437 179.014 176.600 -0.040 0.000 0.983 26 E CA 1.625 57.999 56.400 -0.045 0.000 0.818 26 E CB -0.342 29.331 29.700 -0.044 0.000 0.758 26 E HN 0.702 nan 8.360 nan 0.000 0.467 27 K N 1.149 121.520 120.400 -0.049 0.000 2.097 27 K HA -0.019 4.301 4.320 -0.000 0.000 0.205 27 K C 2.274 178.851 176.600 -0.039 0.000 1.050 27 K CA 0.970 57.233 56.287 -0.040 0.000 0.938 27 K CB -0.861 31.613 32.500 -0.042 0.000 0.718 27 K HN 0.075 nan 8.250 nan 0.000 0.442 28 L N -0.023 121.168 121.223 -0.054 0.000 2.072 28 L HA 0.021 4.361 4.340 -0.000 0.000 0.205 28 L C 2.672 179.520 176.870 -0.037 0.000 1.079 28 L CA 0.714 55.522 54.840 -0.053 0.000 0.752 28 L CB -0.235 41.776 42.059 -0.079 0.000 0.906 28 L HN 0.257 nan 8.230 nan 0.000 0.436 29 L N -0.492 120.710 121.223 -0.035 0.000 2.191 29 L HA -0.168 4.172 4.340 -0.000 0.000 0.212 29 L C 2.713 179.587 176.870 0.007 0.000 1.103 29 L CA 0.919 55.759 54.840 0.001 0.000 0.769 29 L CB -0.609 41.468 42.059 0.029 0.000 0.908 29 L HN 0.254 nan 8.230 nan 0.000 0.438 30 A N -0.176 122.642 122.820 -0.003 0.000 1.970 30 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 30 A C 2.385 179.967 177.584 -0.003 0.000 1.170 30 A CA 1.805 53.841 52.037 -0.001 0.000 0.645 30 A CB -0.512 18.484 19.000 -0.007 0.000 0.816 30 A HN 0.475 nan 8.150 nan 0.000 0.447 31 T N -3.336 111.213 114.554 -0.009 0.000 3.039 31 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 31 T C 0.611 175.306 174.700 -0.008 0.000 1.052 31 T CA -0.120 61.975 62.100 -0.009 0.000 1.125 31 T CB -0.368 68.491 68.868 -0.014 0.000 0.908 31 T HN 0.017 nan 8.240 nan 0.000 0.473 32 L N 3.561 124.778 121.223 -0.009 0.000 2.473 32 L HA 0.395 4.735 4.340 -0.000 0.000 0.268 32 L C -1.753 175.117 176.870 -0.000 0.000 1.215 32 L CA -1.789 53.046 54.840 -0.009 0.000 0.823 32 L CB -0.022 42.030 42.059 -0.013 0.000 1.099 32 L HN 0.193 nan 8.230 nan 0.000 0.483 33 P HA 0.125 nan 4.420 nan 0.000 0.276 33 P C -0.930 176.379 177.300 0.015 0.000 1.252 33 P CA -0.742 62.360 63.100 0.005 0.000 0.802 33 P CB 0.409 32.107 31.700 -0.002 0.000 1.035 34 E N 0.192 120.409 120.200 0.028 0.000 2.458 34 E HA -0.198 4.152 4.350 -0.000 0.000 0.264 34 E C 0.827 177.471 176.600 0.072 0.000 1.097 34 E CA 0.025 56.459 56.400 0.057 0.000 0.973 34 E CB 0.068 29.803 29.700 0.057 0.000 0.963 34 E HN 0.447 nan 8.360 nan 0.000 0.451 35 H N 2.211 121.291 119.070 0.016 0.000 2.297 35 H HA -0.203 4.353 4.556 -0.000 0.000 0.289 35 H C 1.931 177.270 175.328 0.019 0.000 1.105 35 H CA 3.002 59.063 56.048 0.021 0.000 1.219 35 H CB -0.446 29.330 29.762 0.023 0.000 1.351 35 H HN 0.697 nan 8.280 nan 0.000 0.481 36 G N -1.343 107.529 108.800 0.119 0.000 2.511 36 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.217 36 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.217 36 G C 1.338 176.242 174.900 0.005 0.000 1.133 36 G CA 0.475 45.609 45.100 0.056 0.000 0.792 36 G HN 0.577 nan 8.290 nan 0.000 0.539 37 A N 0.039 122.861 122.820 0.003 0.000 2.423 37 A HA 0.459 4.779 4.320 -0.000 0.000 0.246 37 A C 1.037 178.607 177.584 -0.024 0.000 1.278 37 A CA -0.513 51.520 52.037 -0.007 0.000 0.903 37 A CB 0.070 19.073 19.000 0.004 0.000 0.997 37 A HN 0.277 nan 8.150 nan 0.000 0.510 38 R N 1.038 121.509 120.500 -0.049 0.000 2.357 38 R HA 0.403 4.742 4.340 -0.000 0.000 0.296 38 R C 0.494 176.760 176.300 -0.055 0.000 1.052 38 R CA 0.227 56.292 56.100 -0.058 0.000 0.988 38 R CB 1.089 31.335 30.300 -0.091 0.000 1.025 38 R HN 0.477 nan 8.270 nan 0.000 0.469 39 S N 0.911 116.586 115.700 -0.041 0.000 2.661 39 S HA 0.116 4.586 4.470 -0.000 0.000 0.265 39 S C 1.059 175.636 174.600 -0.039 0.000 1.225 39 S CA -0.747 57.431 58.200 -0.036 0.000 0.986 39 S CB 1.425 64.610 63.200 -0.026 0.000 1.008 39 S HN 0.512 nan 8.310 nan 0.000 0.565 40 S N 1.106 116.786 115.700 -0.033 0.000 2.353 40 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 40 S C 2.292 176.876 174.600 -0.025 0.000 1.035 40 S CA 1.317 59.498 58.200 -0.030 0.000 1.025 40 S CB -1.288 61.897 63.200 -0.024 0.000 0.902 40 S HN 0.903 nan 8.310 nan 0.000 0.440 41 A N 1.709 124.516 122.820 -0.022 0.000 1.883 41 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 41 A C 2.036 179.608 177.584 -0.021 0.000 1.186 41 A CA 1.673 53.699 52.037 -0.019 0.000 0.624 41 A CB -0.685 18.305 19.000 -0.017 0.000 0.822 41 A HN 0.588 nan 8.150 nan 0.000 0.444 42 E N -0.620 119.565 120.200 -0.026 0.000 2.153 42 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 42 E C 2.321 178.902 176.600 -0.032 0.000 0.988 42 E CA 1.014 57.396 56.400 -0.029 0.000 0.811 42 E CB -0.173 29.508 29.700 -0.031 0.000 0.746 42 E HN 0.533 nan 8.360 nan 0.000 0.466 43 R N 0.411 120.889 120.500 -0.037 0.000 2.073 43 R HA -0.009 4.330 4.340 -0.000 0.000 0.229 43 R C 2.413 178.708 176.300 -0.008 0.000 1.120 43 R CA 0.969 57.048 56.100 -0.036 0.000 0.967 43 R CB -0.255 30.013 30.300 -0.054 0.000 0.862 43 R HN 0.090 nan 8.270 nan 0.000 0.436 44 A N 1.318 124.133 122.820 -0.009 0.000 1.933 44 A HA -0.229 4.090 4.320 -0.000 0.000 0.218 44 A C 2.046 179.631 177.584 0.001 0.000 1.175 44 A CA 1.570 53.608 52.037 0.001 0.000 0.628 44 A CB -0.389 18.608 19.000 -0.004 0.000 0.814 44 A HN 0.421 nan 8.150 nan 0.000 0.444 45 E N -0.556 119.638 120.200 -0.010 0.000 2.028 45 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 45 E C 1.828 178.411 176.600 -0.028 0.000 0.988 45 E CA 1.410 57.799 56.400 -0.019 0.000 0.799 45 E CB -0.227 29.458 29.700 -0.026 0.000 0.755 45 E HN 0.493 nan 8.360 nan 0.000 0.447 46 I N 0.887 121.439 120.570 -0.029 0.000 2.493 46 I HA -0.110 4.060 4.170 -0.000 0.000 0.254 46 I C 1.997 178.116 176.117 0.004 0.000 1.160 46 I CA 1.469 62.733 61.300 -0.060 0.000 1.445 46 I CB -0.309 37.669 38.000 -0.036 0.000 1.086 46 I HN 0.184 nan 8.210 nan 0.000 0.433 47 A N 0.588 123.447 122.820 0.064 0.000 1.898 47 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 47 A C 2.506 180.138 177.584 0.079 0.000 1.181 47 A CA 1.590 53.694 52.037 0.112 0.000 0.620 47 A CB -1.258 17.789 19.000 0.079 0.000 0.819 47 A HN 0.526 nan 8.150 nan 0.000 0.442 48 A N -0.161 122.678 122.820 0.032 0.000 1.930 48 A HA 0.209 4.529 4.320 -0.000 0.000 0.217 48 A C 2.474 180.062 177.584 0.007 0.000 1.175 48 A CA 1.922 53.969 52.037 0.018 0.000 0.627 48 A CB -0.913 18.088 19.000 0.002 0.000 0.815 48 A HN 0.969 nan 8.150 nan 0.000 0.443 49 A N -1.115 121.690 122.820 -0.025 0.000 1.877 49 A HA -0.189 4.130 4.320 -0.000 0.000 0.216 49 A C 2.082 179.643 177.584 -0.038 0.000 1.186 49 A CA 1.625 53.622 52.037 -0.066 0.000 0.620 49 A CB -0.957 17.960 19.000 -0.138 0.000 0.822 49 A HN 0.603 nan 8.150 nan 0.000 0.443 50 H N -0.604 118.460 119.070 -0.009 0.000 2.387 50 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 50 H C 1.820 177.139 175.328 -0.015 0.000 1.099 50 H CA 1.967 58.010 56.048 -0.009 0.000 1.315 50 H CB -0.340 29.417 29.762 -0.008 0.000 1.380 50 H HN 0.631 nan 8.280 nan 0.000 0.513 51 D N -0.201 120.269 120.400 0.117 0.000 2.123 51 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 51 D C 2.266 178.585 176.300 0.031 0.000 0.976 51 D CA 1.088 55.122 54.000 0.057 0.000 0.831 51 D CB 0.060 40.884 40.800 0.041 0.000 0.974 51 D HN 0.320 nan 8.370 nan 0.000 0.469 52 A N 0.619 123.449 122.820 0.017 0.000 1.877 52 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 52 A C 2.316 179.894 177.584 -0.010 0.000 1.186 52 A CA 2.109 54.145 52.037 -0.003 0.000 0.620 52 A CB -1.117 17.872 19.000 -0.018 0.000 0.822 52 A HN 0.286 nan 8.150 nan 0.000 0.443 53 A N -0.284 122.530 122.820 -0.011 0.000 1.883 53 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 53 A C 2.260 179.840 177.584 -0.007 0.000 1.186 53 A CA 1.756 53.777 52.037 -0.027 0.000 0.624 53 A CB -0.488 18.502 19.000 -0.018 0.000 0.822 53 A HN 0.553 nan 8.150 nan 0.000 0.444 54 R N -0.662 119.852 120.500 0.023 0.000 2.092 54 R HA -0.027 4.312 4.340 -0.000 0.000 0.231 54 R C 2.479 178.794 176.300 0.026 0.000 1.119 54 R CA 1.128 57.243 56.100 0.025 0.000 0.970 54 R CB -0.454 29.859 30.300 0.022 0.000 0.864 54 R HN 0.519 nan 8.270 nan 0.000 0.440 55 A N 1.071 123.903 122.820 0.020 0.000 1.902 55 A HA -0.135 4.184 4.320 -0.000 0.000 0.217 55 A C 2.102 179.707 177.584 0.034 0.000 1.181 55 A CA 1.217 53.268 52.037 0.023 0.000 0.623 55 A CB -0.493 18.517 19.000 0.016 0.000 0.818 55 A HN 0.199 nan 8.150 nan 0.000 0.443 56 L N -1.238 119.999 121.223 0.022 0.000 2.217 56 L HA -0.109 4.231 4.340 -0.000 0.000 0.211 56 L C 2.765 179.683 176.870 0.080 0.000 1.107 56 L CA 0.792 55.651 54.840 0.033 0.000 0.783 56 L CB -0.370 41.672 42.059 -0.028 0.000 0.919 56 L HN 0.362 nan 8.230 nan 0.000 0.442 57 R N -0.690 119.849 120.500 0.064 0.000 2.092 57 R HA -0.101 4.239 4.340 -0.000 0.000 0.231 57 R C 2.225 178.633 176.300 0.179 0.000 1.119 57 R CA 1.020 57.196 56.100 0.126 0.000 0.970 57 R CB -0.404 29.948 30.300 0.087 0.000 0.864 57 R HN 0.181 nan 8.270 nan 0.000 0.440 58 V N 1.076 121.057 119.914 0.113 0.000 2.244 58 V HA -0.244 3.876 4.120 -0.000 0.000 0.244 58 V C 2.305 178.459 176.094 0.101 0.000 1.042 58 V CA 1.726 64.080 62.300 0.089 0.000 1.006 58 V CB -0.480 31.372 31.823 0.049 0.000 0.641 58 V HN 0.286 nan 8.190 nan 0.000 0.446 59 R N -0.908 119.655 120.500 0.106 0.000 2.105 59 R HA -0.206 4.134 4.340 -0.000 0.000 0.239 59 R C 2.209 178.612 176.300 0.172 0.000 1.135 59 R CA 2.058 58.225 56.100 0.111 0.000 0.967 59 R CB -0.575 29.786 30.300 0.102 0.000 0.861 59 R HN 0.538 nan 8.270 nan 0.000 0.442 60 F N 1.421 121.429 119.950 0.097 0.000 2.051 60 F HA -0.141 4.386 4.527 -0.000 0.000 0.296 60 F C 1.818 177.743 175.800 0.209 0.000 1.122 60 F CA 1.482 59.578 58.000 0.161 0.000 1.201 60 F CB -0.377 38.701 39.000 0.130 0.000 0.978 60 F HN -0.126 nan 8.300 nan 0.000 0.472 61 L N 0.012 121.229 121.223 -0.012 0.000 2.362 61 L HA -0.156 4.184 4.340 -0.000 0.000 0.219 61 L C 1.776 178.580 176.870 -0.109 0.000 1.134 61 L CA 1.225 55.987 54.840 -0.129 0.000 0.807 61 L CB -0.778 41.325 42.059 0.072 0.000 0.927 61 L HN 0.179 nan 8.230 nan 0.000 0.447 62 D N -0.418 119.951 120.400 -0.051 0.000 2.178 62 D HA -0.154 4.485 4.640 -0.000 0.000 0.201 62 D C 1.823 178.061 176.300 -0.102 0.000 0.980 62 D CA 1.666 55.633 54.000 -0.056 0.000 0.842 62 D CB 0.316 41.106 40.800 -0.017 0.000 0.948 62 D HN 0.314 nan 8.370 nan 0.000 0.472 63 T N -4.759 109.710 114.554 -0.141 0.000 3.040 63 T HA 0.177 4.527 4.350 -0.000 0.000 0.266 63 T C 0.776 175.196 174.700 -0.467 0.000 1.005 63 T CA -0.184 61.769 62.100 -0.246 0.000 0.906 63 T CB -0.003 68.729 68.868 -0.227 0.000 1.082 63 T HN 0.102 nan 8.240 nan 0.000 0.531 64 H N 0.011 118.860 119.070 -0.368 0.000 3.170 64 H HA 0.667 5.223 4.556 -0.000 0.000 0.264 64 H C 2.318 177.446 175.328 -0.333 0.000 1.113 64 H CA 0.243 56.028 56.048 -0.439 0.000 1.194 64 H CB 0.325 29.540 29.762 -0.910 0.000 1.553 64 H HN 0.367 nan 8.280 nan 0.000 0.538 65 A N 1.122 123.833 122.820 -0.181 0.000 1.909 65 A HA -0.325 3.995 4.320 -0.000 0.000 0.221 65 A C 1.868 179.415 177.584 -0.061 0.000 1.223 65 A CA 2.486 54.455 52.037 -0.115 0.000 0.658 65 A CB -0.527 18.393 19.000 -0.133 0.000 0.831 65 A HN 0.404 nan 8.150 nan 0.000 0.462 66 D N -0.521 119.832 120.400 -0.080 0.000 2.117 66 D HA -0.053 4.587 4.640 -0.000 0.000 0.197 66 D C 2.342 178.629 176.300 -0.021 0.000 0.987 66 D CA 1.484 55.459 54.000 -0.041 0.000 0.829 66 D CB -0.384 40.375 40.800 -0.070 0.000 0.961 66 D HN 0.478 nan 8.370 nan 0.000 0.460 67 A N 0.984 123.783 122.820 -0.036 0.000 1.865 67 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 67 A C 2.612 180.216 177.584 0.033 0.000 1.191 67 A CA 1.411 53.446 52.037 -0.003 0.000 0.623 67 A CB -0.920 18.122 19.000 0.070 0.000 0.826 67 A HN 0.126 nan 8.150 nan 0.000 0.444 68 V N -1.434 118.488 119.914 0.014 0.000 2.255 68 V HA -0.307 3.812 4.120 -0.000 0.000 0.247 68 V C 2.364 178.523 176.094 0.109 0.000 1.051 68 V CA 2.329 64.605 62.300 -0.040 0.000 1.018 68 V CB -1.048 30.594 31.823 -0.301 0.000 0.641 68 V HN 0.687 nan 8.190 nan 0.000 0.445 69 Y N 1.404 121.701 120.300 -0.006 0.000 2.128 69 Y HA -0.279 4.271 4.550 -0.000 0.000 0.284 69 Y C 2.388 178.277 175.900 -0.018 0.000 1.154 69 Y CA 2.142 60.254 58.100 0.020 0.000 1.149 69 Y CB -0.492 37.940 38.460 -0.048 0.000 0.976 69 Y HN 0.331 nan 8.280 nan 0.000 0.505 70 D N -0.339 120.034 120.400 -0.045 0.000 2.149 70 D HA -0.206 4.433 4.640 -0.000 0.000 0.198 70 D C 2.267 178.451 176.300 -0.194 0.000 0.990 70 D CA 1.449 55.288 54.000 -0.267 0.000 0.839 70 D CB -0.367 40.087 40.800 -0.578 0.000 0.948 70 D HN 0.351 nan 8.370 nan 0.000 0.460 71 R N 0.070 120.541 120.500 -0.048 0.000 2.148 71 R HA -0.017 4.323 4.340 -0.000 0.000 0.227 71 R C 2.016 178.335 176.300 0.031 0.000 1.103 71 R CA 0.666 56.795 56.100 0.049 0.000 0.983 71 R CB -0.059 30.348 30.300 0.178 0.000 0.874 71 R HN 0.210 nan 8.270 nan 0.000 0.451 72 L N -0.497 120.724 121.223 -0.004 0.000 2.270 72 L HA 0.028 4.367 4.340 -0.000 0.000 0.210 72 L C 1.613 178.413 176.870 -0.117 0.000 1.104 72 L CA 1.240 56.063 54.840 -0.028 0.000 0.804 72 L CB 0.157 42.221 42.059 0.010 0.000 0.937 72 L HN 0.265 nan 8.230 nan 0.000 0.450 73 T N -5.214 109.195 114.554 -0.242 0.000 3.228 73 T HA 0.148 4.498 4.350 -0.000 0.000 0.278 73 T C 0.318 174.951 174.700 -0.113 0.000 1.014 73 T CA -0.306 61.666 62.100 -0.213 0.000 0.904 73 T CB -0.144 68.474 68.868 -0.416 0.000 1.110 73 T HN 0.176 nan 8.240 nan 0.000 0.541 74 D N 2.339 122.716 120.400 -0.039 0.000 2.735 74 D HA -0.255 4.385 4.640 -0.000 0.000 0.235 74 D C -0.255 176.125 176.300 0.134 0.000 1.175 74 D CA 0.915 54.954 54.000 0.064 0.000 0.683 74 D CB -2.084 38.736 40.800 0.033 0.000 1.008 74 D HN 0.818 nan 8.370 nan 0.000 0.416 75 H N -0.552 118.469 119.070 -0.082 0.000 2.819 75 H HA -0.221 4.335 4.556 -0.000 0.000 0.315 75 H C 0.528 175.779 175.328 -0.128 0.000 1.242 75 H CA 1.205 57.211 56.048 -0.070 0.000 1.157 75 H CB -1.290 28.451 29.762 -0.034 0.000 1.451 75 H HN 0.536 nan 8.280 nan 0.000 0.430 76 R N -1.694 118.681 120.500 -0.208 0.000 3.525 76 R HA -0.277 4.063 4.340 -0.000 0.000 0.276 76 R C 0.894 177.031 176.300 -0.273 0.000 1.116 76 R CA 1.317 57.087 56.100 -0.549 0.000 0.745 76 R CB -1.145 28.874 30.300 -0.468 0.000 1.185 76 R HN 0.567 nan 8.270 nan 0.000 0.454 77 R N -0.354 120.087 120.500 -0.099 0.000 2.307 77 R HA 0.174 4.514 4.340 -0.000 0.000 0.200 77 R C 0.192 176.480 176.300 -0.020 0.000 0.893 77 R CA 0.421 56.510 56.100 -0.019 0.000 1.042 77 R CB 1.034 31.335 30.300 0.001 0.000 1.059 77 R HN -0.042 nan 8.270 nan 0.000 0.530 78 V N 1.614 121.524 119.914 -0.006 0.000 2.604 78 V HA 0.258 4.378 4.120 -0.000 0.000 0.305 78 V C -0.489 175.667 176.094 0.103 0.000 1.043 78 V CA -1.042 61.268 62.300 0.017 0.000 0.888 78 V CB 1.868 33.709 31.823 0.031 0.000 0.995 78 V HN 0.181 nan 8.190 nan 0.000 0.429 79 H N 5.016 124.185 119.070 0.166 0.000 2.562 79 H HA 0.567 5.123 4.556 -0.000 0.000 0.314 79 H C -0.674 174.713 175.328 0.098 0.000 1.079 79 H CA -0.218 55.888 56.048 0.096 0.000 1.349 79 H CB 1.489 31.239 29.762 -0.020 0.000 1.432 79 H HN 0.420 nan 8.280 nan 0.000 0.479 80 L N 4.112 125.491 121.223 0.259 0.000 2.349 80 L HA 0.411 4.751 4.340 -0.000 0.000 0.278 80 L C 0.725 177.702 176.870 0.179 0.000 0.996 80 L CA -0.689 54.261 54.840 0.183 0.000 0.825 80 L CB 1.961 44.112 42.059 0.154 0.000 1.243 80 L HN 0.410 nan 8.230 nan 0.000 0.412 81 R N 1.584 122.166 120.500 0.136 0.000 2.863 81 R HA 0.151 4.491 4.340 -0.000 0.000 0.273 81 R C 1.236 177.624 176.300 0.145 0.000 1.057 81 R CA -0.334 55.839 56.100 0.120 0.000 1.191 81 R CB 0.545 30.900 30.300 0.092 0.000 1.104 81 R HN 0.566 nan 8.270 nan 0.000 0.519 82 L N 1.134 122.440 121.223 0.138 0.000 1.991 82 L HA -0.355 3.984 4.340 -0.000 0.000 0.221 82 L C 2.590 179.557 176.870 0.161 0.000 1.079 82 L CA 2.032 56.967 54.840 0.157 0.000 0.778 82 L CB -0.773 41.365 42.059 0.132 0.000 0.893 82 L HN 0.857 nan 8.230 nan 0.000 0.437 83 A N -0.242 122.655 122.820 0.128 0.000 1.873 83 A HA -0.271 4.049 4.320 -0.000 0.000 0.218 83 A C 2.119 179.770 177.584 0.111 0.000 1.193 83 A CA 2.227 54.332 52.037 0.113 0.000 0.629 83 A CB -0.602 18.454 19.000 0.093 0.000 0.826 83 A HN 0.433 nan 8.150 nan 0.000 0.447 84 E N -0.661 119.604 120.200 0.110 0.000 2.106 84 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 84 E C 1.863 178.538 176.600 0.125 0.000 0.984 84 E CA 0.933 57.394 56.400 0.101 0.000 0.806 84 E CB -0.409 29.348 29.700 0.094 0.000 0.750 84 E HN 0.503 nan 8.360 nan 0.000 0.458 85 L N 0.505 121.833 121.223 0.175 0.000 1.989 85 L HA -0.151 4.189 4.340 -0.000 0.000 0.211 85 L C 2.264 179.284 176.870 0.250 0.000 1.071 85 L CA 1.763 56.752 54.840 0.248 0.000 0.749 85 L CB -0.634 41.634 42.059 0.349 0.000 0.890 85 L HN 0.215 nan 8.230 nan 0.000 0.431 86 V N -3.040 117.012 119.914 0.230 0.000 2.970 86 V HA -0.155 3.965 4.120 -0.000 0.000 0.260 86 V C 2.199 178.294 176.094 0.001 0.000 1.100 86 V CA 1.741 64.095 62.300 0.090 0.000 1.122 86 V CB -0.840 31.072 31.823 0.147 0.000 0.721 86 V HN 0.680 nan 8.190 nan 0.000 0.483 87 E N 0.892 121.121 120.200 0.048 0.000 2.086 87 E HA 0.017 4.367 4.350 -0.000 0.000 0.190 87 E C 2.213 178.826 176.600 0.023 0.000 0.975 87 E CA 1.003 57.421 56.400 0.030 0.000 0.813 87 E CB -0.194 29.533 29.700 0.044 0.000 0.768 87 E HN 0.649 nan 8.360 nan 0.000 0.457 88 A N 1.253 124.099 122.820 0.043 0.000 1.930 88 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 88 A C 2.350 179.967 177.584 0.055 0.000 1.175 88 A CA 1.583 53.647 52.037 0.046 0.000 0.627 88 A CB -0.638 18.400 19.000 0.063 0.000 0.815 88 A HN 0.385 nan 8.150 nan 0.000 0.443 89 A N -0.291 122.548 122.820 0.032 0.000 2.015 89 A HA 0.233 4.553 4.320 -0.000 0.000 0.219 89 A C 2.397 179.999 177.584 0.030 0.000 1.163 89 A CA 1.759 53.805 52.037 0.015 0.000 0.646 89 A CB -0.744 17.990 19.000 -0.444 0.000 0.806 89 A HN 0.945 nan 8.150 nan 0.000 0.448 90 A N -0.236 122.568 122.820 -0.027 0.000 1.898 90 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 90 A C 2.374 179.967 177.584 0.017 0.000 1.181 90 A CA 2.266 54.297 52.037 -0.010 0.000 0.620 90 A CB -1.073 17.911 19.000 -0.026 0.000 0.819 90 A HN 0.674 nan 8.150 nan 0.000 0.442 91 T N -3.000 111.556 114.554 0.002 0.000 3.035 91 T HA 0.353 4.702 4.350 -0.000 0.000 0.259 91 T C 1.810 176.467 174.700 -0.072 0.000 1.078 91 T CA 1.038 63.124 62.100 -0.023 0.000 1.132 91 T CB -0.095 68.759 68.868 -0.024 0.000 0.900 91 T HN 0.434 nan 8.240 nan 0.000 0.480 92 A N 0.717 123.487 122.820 -0.083 0.000 2.021 92 A HA 0.431 4.751 4.320 -0.000 0.000 0.216 92 A C 0.693 177.875 177.584 -0.669 0.000 1.163 92 A CA 0.228 52.079 52.037 -0.310 0.000 0.676 92 A CB -0.363 18.516 19.000 -0.202 0.000 0.818 92 A HN 0.530 nan 8.150 nan 0.000 0.453 93 F N 0.680 120.609 119.950 -0.034 0.000 2.584 93 F HA 0.278 4.805 4.527 -0.000 0.000 0.328 93 F C -2.476 173.441 175.800 0.195 0.000 1.407 93 F CA -2.643 55.379 58.000 0.037 0.000 1.145 93 F CB 1.074 40.108 39.000 0.056 0.000 1.440 93 F HN -0.016 nan 8.300 nan 0.000 0.580 94 P HA 0.069 nan 4.420 nan 0.000 0.260 94 P C 0.944 178.339 177.300 0.159 0.000 1.172 94 P CA 1.526 64.712 63.100 0.144 0.000 0.760 94 P CB 1.002 32.751 31.700 0.081 0.000 0.773 95 G N 2.381 111.203 108.800 0.036 0.000 2.254 95 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.225 95 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.225 95 G C 0.584 175.439 174.900 -0.074 0.000 1.003 95 G CA 0.218 45.273 45.100 -0.075 0.000 0.622 95 G HN 0.532 nan 8.290 nan 0.000 0.507 96 L N 1.268 122.524 121.223 0.056 0.000 2.023 96 L HA 0.511 4.851 4.340 -0.000 0.000 0.205 96 L C 1.518 178.380 176.870 -0.013 0.000 1.073 96 L CA 2.549 57.425 54.840 0.060 0.000 0.745 96 L CB -0.039 42.136 42.059 0.193 0.000 0.900 96 L HN 1.015 nan 8.230 nan 0.000 0.435 97 V N -5.311 114.567 119.914 -0.059 0.000 3.102 97 V HA 0.642 4.762 4.120 -0.000 0.000 0.312 97 V C -2.654 173.392 176.094 -0.081 0.000 1.135 97 V CA -2.284 59.964 62.300 -0.087 0.000 1.022 97 V CB 0.765 32.477 31.823 -0.186 0.000 1.056 97 V HN -0.055 nan 8.190 nan 0.000 0.436 98 P HA 0.242 nan 4.420 nan 0.000 0.266 98 P C 0.045 177.316 177.300 -0.048 0.000 1.195 98 P CA 0.351 63.397 63.100 -0.089 0.000 0.768 98 P CB 0.203 31.890 31.700 -0.022 0.000 0.838 99 T N -0.795 113.729 114.554 -0.051 0.000 2.899 99 T HA 0.135 4.485 4.350 -0.000 0.000 0.284 99 T C 1.248 175.949 174.700 0.001 0.000 1.004 99 T CA -0.515 61.572 62.100 -0.022 0.000 1.043 99 T CB 0.582 69.436 68.868 -0.023 0.000 1.013 99 T HN 0.374 nan 8.240 nan 0.000 0.518 100 Q N 0.700 120.505 119.800 0.010 0.000 2.173 100 Q HA -0.281 4.058 4.340 -0.000 0.000 0.208 100 Q C 2.344 178.359 176.000 0.024 0.000 0.989 100 Q CA 2.069 57.885 55.803 0.021 0.000 0.872 100 Q CB -0.362 28.387 28.738 0.019 0.000 0.909 100 Q HN 0.739 nan 8.270 nan 0.000 0.420 101 Q N 0.579 120.390 119.800 0.018 0.000 2.046 101 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 101 Q C 2.011 178.033 176.000 0.036 0.000 0.975 101 Q CA 1.371 57.187 55.803 0.022 0.000 0.836 101 Q CB -0.045 28.701 28.738 0.014 0.000 0.896 101 Q HN 0.409 nan 8.270 nan 0.000 0.428 102 Q N 0.113 119.934 119.800 0.036 0.000 2.181 102 Q HA -0.155 4.185 4.340 -0.000 0.000 0.205 102 Q C 1.936 178.011 176.000 0.124 0.000 0.980 102 Q CA 1.024 56.875 55.803 0.080 0.000 0.862 102 Q CB -0.227 28.522 28.738 0.019 0.000 0.905 102 Q HN 0.378 nan 8.270 nan 0.000 0.429 103 L N -0.071 121.204 121.223 0.086 0.000 2.291 103 L HA -0.089 4.251 4.340 -0.000 0.000 0.214 103 L C 2.359 179.266 176.870 0.062 0.000 1.120 103 L CA 0.673 55.563 54.840 0.082 0.000 0.799 103 L CB -0.370 41.731 42.059 0.069 0.000 0.925 103 L HN 0.176 nan 8.230 nan 0.000 0.446 104 A N -0.359 122.490 122.820 0.048 0.000 1.874 104 A HA -0.073 4.247 4.320 -0.000 0.000 0.214 104 A C 2.306 179.908 177.584 0.030 0.000 1.189 104 A CA 1.207 53.263 52.037 0.032 0.000 0.615 104 A CB -0.666 18.349 19.000 0.026 0.000 0.830 104 A HN 0.110 nan 8.150 nan 0.000 0.443 105 V N 0.563 120.501 119.914 0.039 0.000 2.287 105 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 105 V C 2.572 178.679 176.094 0.022 0.000 1.053 105 V CA 2.205 64.525 62.300 0.033 0.000 1.027 105 V CB -0.823 31.029 31.823 0.049 0.000 0.646 105 V HN 0.509 nan 8.190 nan 0.000 0.447 106 E N 0.097 120.317 120.200 0.033 0.000 2.058 106 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 106 E C 2.376 178.984 176.600 0.013 0.000 0.997 106 E CA 1.535 57.940 56.400 0.009 0.000 0.801 106 E CB -0.342 29.376 29.700 0.031 0.000 0.746 106 E HN 0.526 nan 8.360 nan 0.000 0.450 107 R N 1.022 121.536 120.500 0.023 0.000 2.120 107 R HA -0.095 4.245 4.340 -0.000 0.000 0.234 107 R C 2.169 178.464 176.300 -0.009 0.000 1.123 107 R CA 1.588 57.693 56.100 0.009 0.000 0.975 107 R CB -0.105 30.202 30.300 0.011 0.000 0.866 107 R HN 0.110 nan 8.270 nan 0.000 0.446 108 S N -0.360 115.337 115.700 -0.005 0.000 2.660 108 S HA 0.114 4.584 4.470 -0.000 0.000 0.223 108 S C 0.539 175.130 174.600 -0.014 0.000 0.963 108 S CA -0.119 58.074 58.200 -0.011 0.000 0.932 108 S CB -0.187 63.011 63.200 -0.003 0.000 0.775 108 S HN 0.156 nan 8.310 nan 0.000 0.531 109 L N 1.468 122.680 121.223 -0.019 0.000 2.323 109 L HA 0.608 4.948 4.340 -0.000 0.000 0.265 109 L C -2.614 174.237 176.870 -0.032 0.000 1.012 109 L CA -2.925 51.898 54.840 -0.028 0.000 0.820 109 L CB 1.994 44.026 42.059 -0.044 0.000 1.334 109 L HN -0.115 nan 8.230 nan 0.000 0.427 110 P HA 0.102 nan 4.420 nan 0.000 0.279 110 P C -0.249 177.025 177.300 -0.044 0.000 1.239 110 P CA -0.431 62.651 63.100 -0.030 0.000 0.789 110 P CB 1.250 32.940 31.700 -0.015 0.000 0.933 111 Q N 2.703 122.475 119.800 -0.046 0.000 2.207 111 Q HA -0.272 4.068 4.340 -0.000 0.000 0.215 111 Q C 2.043 178.023 176.000 -0.033 0.000 1.006 111 Q CA 2.756 58.526 55.803 -0.055 0.000 0.903 111 Q CB -1.407 27.260 28.738 -0.119 0.000 0.947 111 Q HN 0.671 nan 8.270 nan 0.000 0.414 112 A N 0.196 123.000 122.820 -0.026 0.000 2.076 112 A HA -0.012 4.308 4.320 -0.000 0.000 0.220 112 A C 1.970 179.457 177.584 -0.161 0.000 1.160 112 A CA 1.739 53.779 52.037 0.005 0.000 0.653 112 A CB -0.262 18.769 19.000 0.051 0.000 0.801 112 A HN 0.366 nan 8.150 nan 0.000 0.455 113 A N -1.113 121.530 122.820 -0.295 0.000 2.390 113 A HA 0.312 4.632 4.320 -0.000 0.000 0.232 113 A C 0.769 177.973 177.584 -0.633 0.000 1.233 113 A CA -0.290 51.331 52.037 -0.694 0.000 0.907 113 A CB 0.077 18.930 19.000 -0.245 0.000 0.967 113 A HN 0.410 nan 8.150 nan 0.000 0.512 114 K N 0.483 120.684 120.400 -0.333 0.000 2.202 114 K HA 0.207 4.526 4.320 -0.000 0.000 0.264 114 K C 0.157 176.600 176.600 -0.261 0.000 1.010 114 K CA -0.377 55.789 56.287 -0.202 0.000 0.940 114 K CB 0.676 33.191 32.500 0.024 0.000 0.983 114 K HN 0.060 nan 8.250 nan 0.000 0.475 115 E N 0.353 120.351 120.200 -0.337 0.000 2.299 115 E HA -0.000 4.349 4.350 -0.000 0.000 0.193 115 E C 0.643 176.856 176.600 -0.645 0.000 0.998 115 E CA 0.513 56.687 56.400 -0.377 0.000 0.851 115 E CB 0.174 29.630 29.700 -0.407 0.000 0.795 115 E HN 1.001 nan 8.360 nan 0.000 0.492 116 G N 1.464 109.809 108.800 -0.758 0.000 2.255 116 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.239 116 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.239 116 G C 0.363 174.875 174.900 -0.645 0.000 1.083 116 G CA 0.464 44.877 45.100 -1.145 0.000 0.826 116 G HN 0.444 nan 8.290 nan 0.000 0.493 117 H N -0.574 118.285 119.070 -0.351 0.000 2.423 117 H HA 0.015 4.571 4.556 -0.000 0.000 0.297 117 H C 2.448 177.700 175.328 -0.126 0.000 1.075 117 H CA 1.248 57.190 56.048 -0.178 0.000 1.342 117 H CB 0.298 30.014 29.762 -0.077 0.000 1.395 117 H HN 0.607 nan 8.280 nan 0.000 0.530 118 E N 0.798 121.004 120.200 0.009 0.000 2.171 118 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 118 E C 1.974 178.604 176.600 0.050 0.000 0.997 118 E CA 0.830 57.278 56.400 0.081 0.000 0.810 118 E CB -0.033 29.785 29.700 0.197 0.000 0.738 118 E HN 0.535 nan 8.360 nan 0.000 0.467 119 I N 1.639 122.180 120.570 -0.049 0.000 2.194 119 I HA -0.315 3.854 4.170 -0.000 0.000 0.246 119 I C 1.719 177.842 176.117 0.010 0.000 1.093 119 I CA 1.180 62.458 61.300 -0.037 0.000 1.355 119 I CB -0.351 37.569 38.000 -0.132 0.000 1.046 119 I HN 0.067 nan 8.210 nan 0.000 0.413 120 D N 0.529 120.939 120.400 0.017 0.000 2.178 120 D HA -0.193 4.446 4.640 -0.000 0.000 0.201 120 D C 2.257 178.620 176.300 0.105 0.000 0.980 120 D CA 1.145 55.175 54.000 0.049 0.000 0.842 120 D CB -0.271 40.544 40.800 0.025 0.000 0.948 120 D HN 0.502 nan 8.370 nan 0.000 0.472 121 Q N -0.018 119.848 119.800 0.109 0.000 2.123 121 Q HA 0.006 4.345 4.340 -0.000 0.000 0.199 121 Q C 2.358 178.480 176.000 0.203 0.000 0.966 121 Q CA 1.200 57.114 55.803 0.186 0.000 0.845 121 Q CB -0.240 28.591 28.738 0.155 0.000 0.907 121 Q HN 0.286 nan 8.270 nan 0.000 0.439 122 G N 1.275 110.144 108.800 0.114 0.000 2.422 122 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 122 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 122 G C 1.431 176.365 174.900 0.057 0.000 1.146 122 G CA 0.511 45.648 45.100 0.060 0.000 0.769 122 G HN 0.206 nan 8.290 nan 0.000 0.547 123 I N -0.486 120.134 120.570 0.083 0.000 2.252 123 I HA -0.068 4.101 4.170 -0.000 0.000 0.245 123 I C 2.375 178.571 176.117 0.133 0.000 1.102 123 I CA 0.700 62.049 61.300 0.082 0.000 1.385 123 I CB -0.208 37.844 38.000 0.088 0.000 1.064 123 I HN 0.177 nan 8.210 nan 0.000 0.414 124 F N 1.832 121.801 119.950 0.032 0.000 2.031 124 F HA -0.217 4.310 4.527 -0.000 0.000 0.295 124 F C 2.236 178.055 175.800 0.032 0.000 1.133 124 F CA 1.721 59.748 58.000 0.045 0.000 1.188 124 F CB -0.607 38.432 39.000 0.066 0.000 0.974 124 F HN -0.140 nan 8.300 nan 0.000 0.473 125 L N 0.208 121.398 121.223 -0.055 0.000 2.081 125 L HA -0.262 4.078 4.340 -0.000 0.000 0.212 125 L C 2.742 179.505 176.870 -0.179 0.000 1.080 125 L CA 1.816 56.546 54.840 -0.183 0.000 0.754 125 L CB -0.792 41.271 42.059 0.006 0.000 0.893 125 L HN 0.206 nan 8.230 nan 0.000 0.433 126 R N 0.449 120.886 120.500 -0.105 0.000 2.073 126 R HA -0.197 4.143 4.340 -0.000 0.000 0.234 126 R C 2.353 178.570 176.300 -0.137 0.000 1.134 126 R CA 1.609 57.647 56.100 -0.103 0.000 0.952 126 R CB -0.269 29.990 30.300 -0.069 0.000 0.850 126 R HN 0.324 nan 8.270 nan 0.000 0.433 127 A N 0.344 123.078 122.820 -0.144 0.000 1.902 127 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 127 A C 2.295 179.736 177.584 -0.238 0.000 1.181 127 A CA 1.615 53.559 52.037 -0.155 0.000 0.623 127 A CB -0.556 18.382 19.000 -0.104 0.000 0.818 127 A HN 0.246 nan 8.150 nan 0.000 0.443 128 V N 0.047 119.738 119.914 -0.372 0.000 2.407 128 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 128 V C 2.488 178.378 176.094 -0.341 0.000 1.055 128 V CA 1.911 63.944 62.300 -0.445 0.000 1.049 128 V CB -0.696 30.769 31.823 -0.596 0.000 0.662 128 V HN 0.560 nan 8.190 nan 0.000 0.455 129 L N -0.783 120.292 121.223 -0.248 0.000 2.217 129 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 129 L C 2.606 179.388 176.870 -0.146 0.000 1.107 129 L CA 1.105 55.839 54.840 -0.177 0.000 0.783 129 L CB -0.473 41.501 42.059 -0.142 0.000 0.919 129 L HN 0.198 nan 8.230 nan 0.000 0.442 130 R N -0.491 119.923 120.500 -0.144 0.000 2.235 130 R HA -0.019 4.321 4.340 -0.000 0.000 0.213 130 R C 1.154 177.388 176.300 -0.110 0.000 1.059 130 R CA 0.164 56.197 56.100 -0.111 0.000 0.997 130 R CB -0.068 30.172 30.300 -0.099 0.000 0.884 130 R HN 0.106 nan 8.270 nan 0.000 0.462 131 S N 1.625 117.238 115.700 -0.146 0.000 2.510 131 S HA 0.112 4.582 4.470 -0.000 0.000 0.279 131 S C -1.520 173.015 174.600 -0.109 0.000 1.284 131 S CA -1.588 56.529 58.200 -0.138 0.000 1.059 131 S CB 1.027 64.111 63.200 -0.193 0.000 0.901 131 S HN 0.039 nan 8.310 nan 0.000 0.491 132 P HA 0.016 nan 4.420 nan 0.000 0.237 132 P C 0.982 178.264 177.300 -0.030 0.000 1.178 132 P CA 0.549 63.624 63.100 -0.041 0.000 0.766 132 P CB 0.219 31.903 31.700 -0.028 0.000 0.876 133 L N -0.803 120.389 121.223 -0.053 0.000 2.356 133 L HA 0.206 4.546 4.340 -0.000 0.000 0.193 133 L C 2.699 179.533 176.870 -0.060 0.000 1.087 133 L CA 1.007 55.829 54.840 -0.030 0.000 0.817 133 L CB -1.061 40.982 42.059 -0.027 0.000 1.035 133 L HN -0.167 nan 8.230 nan 0.000 0.482 134 A N 0.456 123.153 122.820 -0.205 0.000 1.898 134 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 134 A C 2.257 179.606 177.584 -0.392 0.000 1.181 134 A CA 1.644 53.357 52.037 -0.541 0.000 0.620 134 A CB -1.301 17.093 19.000 -1.010 0.000 0.819 134 A HN 0.443 nan 8.150 nan 0.000 0.442 135 G N 0.514 109.163 108.800 -0.251 0.000 2.586 135 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 135 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 135 G C -0.218 174.668 174.900 -0.025 0.000 1.216 135 G CA 1.490 46.504 45.100 -0.143 0.000 0.786 135 G HN 0.493 nan 8.290 nan 0.000 0.583 136 P HA -0.120 nan 4.420 nan 0.000 0.216 136 P C 1.650 179.032 177.300 0.136 0.000 1.150 136 P CA 1.370 64.522 63.100 0.086 0.000 0.837 136 P CB -0.196 31.554 31.700 0.083 0.000 0.786 137 H N -0.178 118.950 119.070 0.097 0.000 2.321 137 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 137 H C 1.834 177.322 175.328 0.267 0.000 1.087 137 H CA 1.435 57.622 56.048 0.232 0.000 1.319 137 H CB -0.637 29.287 29.762 0.270 0.000 1.379 137 H HN -0.045 nan 8.280 nan 0.000 0.501 138 L N 1.078 122.453 121.223 0.253 0.000 2.083 138 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 138 L C 2.409 179.334 176.870 0.091 0.000 1.083 138 L CA 1.190 56.156 54.840 0.210 0.000 0.752 138 L CB -0.700 41.447 42.059 0.146 0.000 0.899 138 L HN 0.244 nan 8.230 nan 0.000 0.433 139 L N -0.876 120.395 121.223 0.080 0.000 2.056 139 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 139 L C 2.229 179.114 176.870 0.026 0.000 1.078 139 L CA 1.143 56.046 54.840 0.104 0.000 0.749 139 L CB -0.841 41.323 42.059 0.174 0.000 0.901 139 L HN 0.238 nan 8.230 nan 0.000 0.433 140 D N 0.309 120.676 120.400 -0.056 0.000 2.144 140 D HA -0.156 4.484 4.640 -0.000 0.000 0.199 140 D C 2.219 178.300 176.300 -0.365 0.000 0.984 140 D CA 1.422 55.303 54.000 -0.198 0.000 0.834 140 D CB 0.034 40.705 40.800 -0.216 0.000 0.955 140 D HN 0.303 nan 8.370 nan 0.000 0.465 141 A N 0.967 123.561 122.820 -0.377 0.000 1.883 141 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 141 A C 2.081 179.596 177.584 -0.116 0.000 1.186 141 A CA 1.501 53.359 52.037 -0.298 0.000 0.624 141 A CB -0.418 18.566 19.000 -0.026 0.000 0.822 141 A HN 0.110 nan 8.150 nan 0.000 0.444 142 M N -0.477 119.103 119.600 -0.033 0.000 2.374 142 M HA 0.062 4.542 4.480 -0.000 0.000 0.264 142 M C 1.711 178.002 176.300 -0.016 0.000 1.067 142 M CA 0.890 56.196 55.300 0.011 0.000 1.103 142 M CB -1.202 31.436 32.600 0.063 0.000 1.402 142 M HN 0.368 nan 8.290 nan 0.000 0.444 143 L N -0.686 120.500 121.223 -0.063 0.000 2.554 143 L HA 0.008 4.348 4.340 -0.000 0.000 0.226 143 L C 0.922 177.741 176.870 -0.085 0.000 1.137 143 L CA 0.030 54.812 54.840 -0.097 0.000 0.863 143 L CB -0.166 41.800 42.059 -0.155 0.000 0.985 143 L HN 0.204 nan 8.230 nan 0.000 0.451 144 R N 1.217 121.667 120.500 -0.084 0.000 2.531 144 R HA 0.239 4.579 4.340 -0.000 0.000 0.273 144 R C -2.172 174.118 176.300 -0.017 0.000 1.070 144 R CA -1.876 54.194 56.100 -0.051 0.000 1.112 144 R CB -0.105 30.157 30.300 -0.063 0.000 1.049 144 R HN -0.139 nan 8.270 nan 0.000 0.508 145 P HA -0.052 nan 4.420 nan 0.000 0.267 145 P C -0.287 177.022 177.300 0.015 0.000 1.200 145 P CA -0.016 63.091 63.100 0.010 0.000 0.772 145 P CB 0.533 32.244 31.700 0.019 0.000 0.855 146 T N -0.112 114.451 114.554 0.014 0.000 2.899 146 T HA 0.222 4.572 4.350 -0.000 0.000 0.295 146 T C -1.825 172.887 174.700 0.020 0.000 1.033 146 T CA -1.684 60.428 62.100 0.019 0.000 1.084 146 T CB 0.130 69.008 68.868 0.017 0.000 0.979 146 T HN 0.183 nan 8.240 nan 0.000 0.532 147 P HA -0.084 nan 4.420 nan 0.000 0.216 147 P C 1.667 178.979 177.300 0.019 0.000 1.150 147 P CA 0.832 63.947 63.100 0.025 0.000 0.837 147 P CB 0.078 31.795 31.700 0.029 0.000 0.786 148 R N -0.225 120.284 120.500 0.016 0.000 2.075 148 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 148 R C 2.053 178.354 176.300 0.002 0.000 1.126 148 R CA 1.599 57.705 56.100 0.009 0.000 0.963 148 R CB -0.774 29.529 30.300 0.005 0.000 0.858 148 R HN 0.063 nan 8.270 nan 0.000 0.435 149 A N 1.157 123.976 122.820 -0.002 0.000 1.898 149 A HA -0.103 4.217 4.320 -0.000 0.000 0.216 149 A C 2.199 179.789 177.584 0.010 0.000 1.181 149 A CA 1.080 53.111 52.037 -0.010 0.000 0.620 149 A CB -0.534 18.458 19.000 -0.014 0.000 0.819 149 A HN 0.339 nan 8.150 nan 0.000 0.442 150 L N -0.714 120.519 121.223 0.018 0.000 2.079 150 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 150 L C 2.676 179.563 176.870 0.028 0.000 1.081 150 L CA 1.881 56.737 54.840 0.026 0.000 0.752 150 L CB -0.492 41.583 42.059 0.025 0.000 0.896 150 L HN 0.626 nan 8.230 nan 0.000 0.433 151 E N 0.645 120.859 120.200 0.024 0.000 2.106 151 E HA -0.186 4.163 4.350 -0.000 0.000 0.192 151 E C 2.161 178.779 176.600 0.030 0.000 0.984 151 E CA 0.895 57.310 56.400 0.024 0.000 0.806 151 E CB 0.087 29.799 29.700 0.020 0.000 0.750 151 E HN 0.508 nan 8.360 nan 0.000 0.458 152 L N 0.781 122.022 121.223 0.030 0.000 2.529 152 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 152 L C 2.251 179.173 176.870 0.087 0.000 1.113 152 L CA -0.347 54.520 54.840 0.044 0.000 0.861 152 L CB -0.090 41.980 42.059 0.018 0.000 1.012 152 L HN 0.216 nan 8.230 nan 0.000 0.461 153 L N 2.007 123.279 121.223 0.081 0.000 1.971 153 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 153 L C -0.230 176.721 176.870 0.135 0.000 1.072 153 L CA 2.405 57.322 54.840 0.128 0.000 0.758 153 L CB -1.535 40.578 42.059 0.090 0.000 0.889 153 L HN 0.093 nan 8.230 nan 0.000 0.433 154 P HA -0.221 nan 4.420 nan 0.000 0.216 154 P C 1.206 178.534 177.300 0.046 0.000 1.154 154 P CA 1.691 64.821 63.100 0.050 0.000 0.865 154 P CB -0.144 31.576 31.700 0.034 0.000 0.789 155 E N -1.097 119.142 120.200 0.065 0.000 2.106 155 E HA -0.121 4.229 4.350 -0.000 0.000 0.192 155 E C 1.912 178.559 176.600 0.078 0.000 0.984 155 E CA 0.633 57.067 56.400 0.057 0.000 0.806 155 E CB -0.924 28.812 29.700 0.060 0.000 0.750 155 E HN 0.274 nan 8.360 nan 0.000 0.458 156 F N 1.174 121.116 119.950 -0.012 0.000 2.146 156 F HA -0.150 4.377 4.527 -0.000 0.000 0.298 156 F C 2.091 177.883 175.800 -0.014 0.000 1.096 156 F CA 0.809 58.798 58.000 -0.018 0.000 1.275 156 F CB -0.307 38.683 39.000 -0.017 0.000 1.008 156 F HN -0.215 nan 8.300 nan 0.000 0.480 157 V N 0.932 120.766 119.914 -0.133 0.000 2.720 157 V HA -0.255 3.865 4.120 -0.000 0.000 0.256 157 V C 2.542 178.515 176.094 -0.202 0.000 1.082 157 V CA 2.152 64.328 62.300 -0.208 0.000 1.101 157 V CB -0.854 30.941 31.823 -0.046 0.000 0.693 157 V HN 0.332 nan 8.190 nan 0.000 0.479 158 R N 0.428 120.845 120.500 -0.139 0.000 2.048 158 R HA -0.089 4.251 4.340 -0.000 0.000 0.221 158 R C 2.588 178.814 176.300 -0.123 0.000 1.174 158 R CA 1.650 57.690 56.100 -0.101 0.000 0.971 158 R CB -0.456 29.815 30.300 -0.048 0.000 0.863 158 R HN 0.605 nan 8.270 nan 0.000 0.439 159 T N -2.898 111.590 114.554 -0.110 0.000 2.985 159 T HA 0.106 4.456 4.350 -0.000 0.000 0.266 159 T C 1.371 175.982 174.700 -0.150 0.000 1.076 159 T CA 0.827 62.873 62.100 -0.090 0.000 1.135 159 T CB 0.020 68.871 68.868 -0.029 0.000 0.890 159 T HN 0.514 nan 8.240 nan 0.000 0.480 160 G N 0.986 109.586 108.800 -0.332 0.000 2.160 160 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.251 160 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.251 160 G C -0.209 174.609 174.900 -0.137 0.000 1.008 160 G CA 0.396 45.200 45.100 -0.493 0.000 0.724 160 G HN 0.963 nan 8.290 nan 0.000 0.514 161 E N -1.046 119.193 120.200 0.065 0.000 2.352 161 E HA 0.621 4.971 4.350 -0.000 0.000 0.280 161 E C -0.911 175.787 176.600 0.164 0.000 0.930 161 E CA -0.800 55.696 56.400 0.160 0.000 0.765 161 E CB 2.401 32.130 29.700 0.047 0.000 1.219 161 E HN 0.364 nan 8.360 nan 0.000 0.434 162 V N 2.368 122.287 119.914 0.009 0.000 3.007 162 V HA 0.552 4.671 4.120 -0.000 0.000 0.311 162 V C -1.096 174.884 176.094 -0.190 0.000 1.120 162 V CA -0.842 61.425 62.300 -0.055 0.000 0.980 162 V CB 2.076 33.844 31.823 -0.092 0.000 1.033 162 V HN 0.785 nan 8.190 nan 0.000 0.429 163 E N 2.510 122.647 120.200 -0.104 0.000 2.281 163 E HA 0.693 5.042 4.350 -0.000 0.000 0.266 163 E C -1.381 175.202 176.600 -0.028 0.000 0.893 163 E CA -0.445 55.907 56.400 -0.080 0.000 0.798 163 E CB 1.642 31.329 29.700 -0.021 0.000 1.245 163 E HN 0.682 nan 8.360 nan 0.000 0.410 164 M N 2.484 122.071 119.600 -0.021 0.000 2.821 164 M HA 0.322 4.801 4.480 -0.000 0.000 0.304 164 M C 0.982 177.290 176.300 0.012 0.000 1.233 164 M CA -0.670 54.623 55.300 -0.011 0.000 0.851 164 M CB 1.567 34.147 32.600 -0.033 0.000 1.723 164 M HN 0.637 nan 8.290 nan 0.000 0.493 165 E N 0.399 120.607 120.200 0.013 0.000 2.265 165 E HA -0.111 4.239 4.350 -0.000 0.000 0.196 165 E C 1.006 177.620 176.600 0.023 0.000 0.996 165 E CA 1.547 57.961 56.400 0.024 0.000 0.832 165 E CB 0.261 29.979 29.700 0.030 0.000 0.756 165 E HN 0.722 nan 8.360 nan 0.000 0.491 166 A N -0.251 122.575 122.820 0.009 0.000 2.427 166 A HA 0.291 4.611 4.320 -0.000 0.000 0.225 166 A C 0.031 177.607 177.584 -0.015 0.000 1.257 166 A CA -0.243 51.793 52.037 -0.002 0.000 0.985 166 A CB 1.140 20.137 19.000 -0.005 0.000 1.136 166 A HN 0.058 nan 8.150 nan 0.000 0.538 167 V N 0.518 120.426 119.914 -0.010 0.000 2.962 167 V HA 0.442 4.562 4.120 -0.000 0.000 0.313 167 V C -1.012 175.111 176.094 0.050 0.000 1.099 167 V CA -0.740 61.559 62.300 -0.002 0.000 0.971 167 V CB 1.979 33.769 31.823 -0.056 0.000 1.028 167 V HN 0.465 nan 8.190 nan 0.000 0.430 168 H N 3.555 122.614 119.070 -0.019 0.000 2.727 168 H HA 0.579 5.135 4.556 -0.000 0.000 0.330 168 H C -1.896 173.440 175.328 0.013 0.000 0.986 168 H CA -0.603 55.447 56.048 0.003 0.000 1.251 168 H CB 1.894 31.665 29.762 0.014 0.000 1.493 168 H HN 0.530 nan 8.280 nan 0.000 0.515 169 L N 5.051 126.132 121.223 -0.237 0.000 2.307 169 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 169 L C -0.585 176.268 176.870 -0.029 0.000 1.023 169 L CA -0.193 54.585 54.840 -0.103 0.000 0.810 169 L CB 1.287 43.199 42.059 -0.246 0.000 1.231 169 L HN 0.816 nan 8.230 nan 0.000 0.423 170 E N 5.196 125.504 120.200 0.179 0.000 2.291 170 E HA 0.323 4.672 4.350 -0.000 0.000 0.276 170 E C -1.340 175.399 176.600 0.232 0.000 0.896 170 E CA -0.812 55.734 56.400 0.242 0.000 0.774 170 E CB 1.438 31.304 29.700 0.276 0.000 1.227 170 E HN 0.721 nan 8.360 nan 0.000 0.413 171 R N 3.334 123.946 120.500 0.187 0.000 2.490 171 R HA 0.443 4.782 4.340 -0.000 0.000 0.278 171 R C -0.658 175.662 176.300 0.032 0.000 1.069 171 R CA -0.234 55.915 56.100 0.082 0.000 1.080 171 R CB 0.878 31.123 30.300 -0.092 0.000 1.030 171 R HN 0.654 nan 8.270 nan 0.000 0.491 172 R N 2.526 123.037 120.500 0.019 0.000 3.008 172 R HA 0.030 4.370 4.340 -0.000 0.000 0.284 172 R C -1.466 174.834 176.300 -0.001 0.000 1.187 172 R CA -0.225 55.880 56.100 0.010 0.000 1.139 172 R CB 0.670 30.987 30.300 0.030 0.000 1.273 172 R HN 0.903 nan 8.270 nan 0.000 0.410 173 D N 3.237 123.630 120.400 -0.012 0.000 2.772 173 D HA -0.186 4.454 4.640 -0.000 0.000 0.233 173 D C 0.572 176.859 176.300 -0.022 0.000 1.143 173 D CA 2.125 56.116 54.000 -0.015 0.000 0.700 173 D CB -0.636 40.158 40.800 -0.009 0.000 1.076 173 D HN 1.115 nan 8.370 nan 0.000 0.430 174 G N -1.663 107.121 108.800 -0.027 0.000 2.148 174 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.254 174 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.254 174 G C 0.300 175.172 174.900 -0.046 0.000 0.981 174 G CA 0.366 45.444 45.100 -0.036 0.000 0.670 174 G HN 0.538 nan 8.290 nan 0.000 0.528 175 V N 0.744 120.639 119.914 -0.032 0.000 2.417 175 V HA 0.777 4.897 4.120 -0.000 0.000 0.291 175 V C 0.654 176.741 176.094 -0.013 0.000 1.024 175 V CA -0.366 61.906 62.300 -0.047 0.000 0.861 175 V CB 1.683 33.490 31.823 -0.027 0.000 0.985 175 V HN 1.065 nan 8.190 nan 0.000 0.436 176 A N 5.782 128.566 122.820 -0.061 0.000 2.309 176 A HA 0.613 4.933 4.320 -0.000 0.000 0.290 176 A C 0.220 177.825 177.584 0.035 0.000 1.206 176 A CA -0.354 51.690 52.037 0.012 0.000 0.850 176 A CB 0.052 19.009 19.000 -0.072 0.000 1.118 176 A HN 0.835 nan 8.150 nan 0.000 0.523 177 R N 2.416 122.981 120.500 0.109 0.000 2.247 177 R HA 0.400 4.740 4.340 -0.000 0.000 0.329 177 R C -1.461 174.937 176.300 0.164 0.000 1.014 177 R CA -0.483 55.698 56.100 0.135 0.000 0.907 177 R CB 0.824 31.205 30.300 0.136 0.000 1.146 177 R HN 0.557 nan 8.270 nan 0.000 0.499 178 L N 2.317 123.650 121.223 0.182 0.000 2.275 178 L HA 0.370 4.710 4.340 -0.000 0.000 0.288 178 L C 0.184 177.131 176.870 0.128 0.000 1.046 178 L CA 0.226 55.159 54.840 0.154 0.000 0.805 178 L CB 1.863 44.029 42.059 0.178 0.000 1.193 178 L HN 0.466 nan 8.230 nan 0.000 0.426 179 T N 4.329 118.948 114.554 0.108 0.000 2.812 179 T HA 0.539 4.889 4.350 -0.000 0.000 0.282 179 T C -0.039 174.671 174.700 0.017 0.000 0.990 179 T CA -0.507 61.629 62.100 0.060 0.000 0.960 179 T CB 1.088 69.986 68.868 0.050 0.000 0.948 179 T HN 0.359 nan 8.240 nan 0.000 0.438 180 M N 2.882 122.454 119.600 -0.047 0.000 2.105 180 M HA 0.259 4.739 4.480 -0.000 0.000 0.350 180 M C 0.461 176.725 176.300 -0.060 0.000 1.308 180 M CA -0.592 54.658 55.300 -0.083 0.000 1.108 180 M CB 0.216 32.708 32.600 -0.179 0.000 1.622 180 M HN 0.800 nan 8.290 nan 0.000 0.468 181 C N 1.046 120.328 119.300 -0.030 0.000 2.513 181 C HA 0.426 4.886 4.460 -0.000 0.000 0.281 181 C C 0.575 175.557 174.990 -0.014 0.000 1.501 181 C CA -0.956 58.051 59.018 -0.018 0.000 1.749 181 C CB -0.733 27.013 27.740 0.009 0.000 2.955 181 C HN 0.707 nan 8.230 nan 0.000 0.532 182 R N 2.130 122.611 120.500 -0.031 0.000 4.496 182 R HA 0.095 4.434 4.340 -0.000 0.000 0.211 182 R C 0.813 177.101 176.300 -0.020 0.000 1.738 182 R CA 0.332 56.420 56.100 -0.020 0.000 1.528 182 R CB -0.250 30.030 30.300 -0.034 0.000 1.414 182 R HN 0.856 nan 8.270 nan 0.000 0.812 183 D N -0.194 120.203 120.400 -0.005 0.000 2.322 183 D HA -0.228 4.412 4.640 -0.000 0.000 0.210 183 D C 0.859 177.187 176.300 0.047 0.000 0.983 183 D CA 1.427 55.433 54.000 0.011 0.000 0.902 183 D CB 0.137 40.950 40.800 0.021 0.000 0.905 183 D HN 0.369 nan 8.370 nan 0.000 0.483 184 D N 0.159 120.590 120.400 0.052 0.000 2.360 184 D HA -0.086 4.554 4.640 -0.000 0.000 0.210 184 D C 0.938 177.294 176.300 0.092 0.000 1.047 184 D CA -0.072 53.993 54.000 0.107 0.000 0.854 184 D CB -0.181 40.673 40.800 0.091 0.000 0.936 184 D HN 0.512 nan 8.370 nan 0.000 0.514 185 R N 0.553 121.056 120.500 0.005 0.000 2.635 185 R HA 0.244 4.584 4.340 -0.000 0.000 0.393 185 R C -0.273 175.970 176.300 -0.096 0.000 1.070 185 R CA -0.690 55.383 56.100 -0.045 0.000 1.118 185 R CB -0.387 29.882 30.300 -0.051 0.000 1.341 185 R HN -0.220 nan 8.270 nan 0.000 0.628 186 L N 1.294 122.432 121.223 -0.141 0.000 3.851 186 L HA -0.312 4.027 4.340 -0.000 0.000 0.438 186 L C -0.429 176.365 176.870 -0.128 0.000 1.171 186 L CA 1.031 55.758 54.840 -0.188 0.000 0.895 186 L CB -2.201 39.736 42.059 -0.202 0.000 1.800 186 L HN 0.748 nan 8.230 nan 0.000 0.960 187 N N -2.967 115.666 118.700 -0.112 0.000 2.747 187 N HA -0.190 4.550 4.740 -0.000 0.000 0.249 187 N C 0.740 176.196 175.510 -0.089 0.000 1.107 187 N CA 1.116 54.102 53.050 -0.107 0.000 0.707 187 N CB -0.730 37.664 38.487 -0.154 0.000 1.054 187 N HN 0.803 nan 8.380 nan 0.000 0.555 188 A N 0.354 123.116 122.820 -0.096 0.000 2.540 188 A HA 0.148 4.468 4.320 -0.000 0.000 0.239 188 A C 0.693 178.223 177.584 -0.090 0.000 1.061 188 A CA 0.369 52.336 52.037 -0.117 0.000 0.758 188 A CB 0.321 19.210 19.000 -0.186 0.000 0.991 188 A HN 0.309 nan 8.150 nan 0.000 0.502 189 E N 0.990 121.168 120.200 -0.037 0.000 2.319 189 E HA 0.474 4.824 4.350 -0.000 0.000 0.268 189 E C -0.738 175.865 176.600 0.006 0.000 1.050 189 E CA -0.237 56.221 56.400 0.097 0.000 0.878 189 E CB 0.937 30.828 29.700 0.318 0.000 1.066 189 E HN 0.818 nan 8.360 nan 0.000 0.406 190 D N -0.466 120.047 120.400 0.188 0.000 2.779 190 D HA 0.154 4.794 4.640 -0.000 0.000 0.331 190 D C 0.791 177.322 176.300 0.384 0.000 1.331 190 D CA -0.547 53.503 54.000 0.084 0.000 0.866 190 D CB -0.150 40.793 40.800 0.238 0.000 1.409 190 D HN 0.362 nan 8.370 nan 0.000 0.486 191 G N -0.832 108.142 108.800 0.291 0.000 2.442 191 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 191 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 191 G C 1.248 176.280 174.900 0.220 0.000 1.141 191 G CA 1.536 46.828 45.100 0.320 0.000 0.763 191 G HN 0.482 nan 8.290 nan 0.000 0.554 192 Q N -0.160 119.740 119.800 0.167 0.000 2.123 192 Q HA -0.013 4.327 4.340 -0.000 0.000 0.199 192 Q C 2.501 178.556 176.000 0.092 0.000 0.966 192 Q CA 1.445 57.313 55.803 0.110 0.000 0.845 192 Q CB -0.449 28.344 28.738 0.091 0.000 0.907 192 Q HN 0.526 nan 8.270 nan 0.000 0.439 193 Q N -0.260 119.613 119.800 0.120 0.000 2.084 193 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 193 Q C 1.913 177.930 176.000 0.028 0.000 0.978 193 Q CA 1.839 57.682 55.803 0.067 0.000 0.844 193 Q CB -0.097 28.700 28.738 0.099 0.000 0.898 193 Q HN 0.385 nan 8.270 nan 0.000 0.426 194 V N 1.858 121.842 119.914 0.118 0.000 2.343 194 V HA -0.228 3.891 4.120 -0.000 0.000 0.247 194 V C 2.335 178.445 176.094 0.025 0.000 1.051 194 V CA 2.142 64.494 62.300 0.087 0.000 1.036 194 V CB -0.684 31.198 31.823 0.098 0.000 0.654 194 V HN 0.431 nan 8.190 nan 0.000 0.451 195 D N -0.053 120.374 120.400 0.045 0.000 2.117 195 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 195 D C 1.743 178.024 176.300 -0.033 0.000 0.987 195 D CA 1.483 55.496 54.000 0.022 0.000 0.829 195 D CB 0.009 40.834 40.800 0.040 0.000 0.961 195 D HN 0.423 nan 8.370 nan 0.000 0.460 196 D N -0.088 120.282 120.400 -0.049 0.000 2.117 196 D HA -0.125 4.515 4.640 -0.000 0.000 0.198 196 D C 2.198 178.399 176.300 -0.165 0.000 0.982 196 D CA 0.522 54.470 54.000 -0.085 0.000 0.828 196 D CB -0.188 40.575 40.800 -0.063 0.000 0.967 196 D HN 0.259 nan 8.370 nan 0.000 0.464 197 M N 0.485 119.920 119.600 -0.274 0.000 2.086 197 M HA -0.124 4.356 4.480 -0.000 0.000 0.261 197 M C 2.175 178.194 176.300 -0.469 0.000 1.067 197 M CA 1.192 56.177 55.300 -0.525 0.000 1.116 197 M CB -0.891 31.052 32.600 -1.095 0.000 1.348 197 M HN 0.093 nan 8.290 nan 0.000 0.407 198 E N -0.563 119.456 120.200 -0.302 0.000 2.106 198 E HA -0.149 4.200 4.350 -0.000 0.000 0.192 198 E C 1.696 178.251 176.600 -0.075 0.000 0.984 198 E CA 1.705 58.053 56.400 -0.087 0.000 0.806 198 E CB 0.183 29.912 29.700 0.049 0.000 0.750 198 E HN 0.413 nan 8.360 nan 0.000 0.458 199 T N 0.586 115.088 114.554 -0.086 0.000 2.674 199 T HA -0.166 4.183 4.350 -0.000 0.000 0.265 199 T C 1.886 176.519 174.700 -0.113 0.000 1.039 199 T CA 1.469 63.523 62.100 -0.078 0.000 1.150 199 T CB -0.410 68.413 68.868 -0.075 0.000 0.864 199 T HN 0.359 nan 8.240 nan 0.000 0.427 200 A N 0.907 123.642 122.820 -0.142 0.000 1.908 200 A HA -0.073 4.246 4.320 -0.000 0.000 0.218 200 A C 2.588 180.133 177.584 -0.065 0.000 1.181 200 A CA 1.497 53.441 52.037 -0.156 0.000 0.627 200 A CB -1.047 17.871 19.000 -0.136 0.000 0.818 200 A HN 0.365 nan 8.150 nan 0.000 0.445 201 V N 0.446 120.336 119.914 -0.040 0.000 2.427 201 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 201 V C 2.134 178.286 176.094 0.096 0.000 1.051 201 V CA 2.174 64.519 62.300 0.075 0.000 1.048 201 V CB -0.745 31.029 31.823 -0.081 0.000 0.666 201 V HN 0.491 nan 8.190 nan 0.000 0.456 202 D N 0.195 120.604 120.400 0.015 0.000 2.097 202 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 202 D C 2.192 178.498 176.300 0.011 0.000 0.984 202 D CA 1.194 55.204 54.000 0.017 0.000 0.826 202 D CB -0.243 40.555 40.800 -0.003 0.000 0.973 202 D HN 0.320 nan 8.370 nan 0.000 0.460 203 L N 0.828 122.014 121.223 -0.061 0.000 2.012 203 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 203 L C 2.560 179.412 176.870 -0.029 0.000 1.073 203 L CA 1.372 56.139 54.840 -0.121 0.000 0.748 203 L CB -0.464 41.322 42.059 -0.454 0.000 0.891 203 L HN -0.019 nan 8.230 nan 0.000 0.431 204 A N -0.238 122.571 122.820 -0.018 0.000 1.933 204 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 204 A C 2.222 179.852 177.584 0.076 0.000 1.175 204 A CA 1.410 53.483 52.037 0.060 0.000 0.628 204 A CB -0.561 18.490 19.000 0.085 0.000 0.814 204 A HN 0.395 nan 8.150 nan 0.000 0.444 205 L N -1.082 120.208 121.223 0.112 0.000 2.209 205 L HA 0.016 4.356 4.340 -0.000 0.000 0.207 205 L C 2.272 179.180 176.870 0.065 0.000 1.094 205 L CA 0.457 55.353 54.840 0.093 0.000 0.790 205 L CB -0.254 41.878 42.059 0.120 0.000 0.932 205 L HN 0.333 nan 8.230 nan 0.000 0.447 206 L N -0.990 120.275 121.223 0.071 0.000 2.209 206 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 206 L C 0.704 177.622 176.870 0.080 0.000 1.094 206 L CA 0.071 54.951 54.840 0.068 0.000 0.790 206 L CB -0.178 41.920 42.059 0.065 0.000 0.932 206 L HN 0.143 nan 8.230 nan 0.000 0.447 207 D N 0.995 121.468 120.400 0.121 0.000 2.346 207 D HA 0.033 4.672 4.640 -0.000 0.000 0.260 207 D C -1.705 174.632 176.300 0.062 0.000 1.252 207 D CA -1.852 52.225 54.000 0.129 0.000 0.895 207 D CB 1.382 42.346 40.800 0.273 0.000 1.097 207 D HN -0.071 nan 8.370 nan 0.000 0.489 208 P HA -0.001 nan 4.420 nan 0.000 0.226 208 P C 1.101 178.397 177.300 -0.006 0.000 1.146 208 P CA 0.697 63.803 63.100 0.010 0.000 0.773 208 P CB 0.310 32.014 31.700 0.007 0.000 0.772 209 G N -1.208 107.585 108.800 -0.013 0.000 2.777 209 G HA2 0.032 3.992 3.960 -0.000 0.000 0.211 209 G HA3 0.032 3.992 3.960 -0.000 0.000 0.211 209 G C 0.288 175.172 174.900 -0.027 0.000 1.149 209 G CA 0.088 45.169 45.100 -0.032 0.000 0.785 209 G HN 0.158 nan 8.290 nan 0.000 0.536 210 V N 0.572 120.482 119.914 -0.008 0.000 2.407 210 V HA 0.357 4.477 4.120 -0.000 0.000 0.278 210 V C 0.882 176.937 176.094 -0.065 0.000 1.037 210 V CA -0.431 61.852 62.300 -0.027 0.000 0.900 210 V CB 1.520 33.345 31.823 0.003 0.000 0.983 210 V HN 0.285 nan 8.190 nan 0.000 0.459 211 R N 2.833 123.278 120.500 -0.091 0.000 2.287 211 R HA 0.420 4.760 4.340 -0.000 0.000 0.197 211 R C -0.648 175.556 176.300 -0.161 0.000 0.900 211 R CA 0.294 56.334 56.100 -0.100 0.000 1.052 211 R CB 1.168 31.425 30.300 -0.070 0.000 1.117 211 R HN 0.522 nan 8.270 nan 0.000 0.568 212 V N -0.161 119.622 119.914 -0.219 0.000 2.969 212 V HA 0.473 4.593 4.120 -0.000 0.000 0.304 212 V C -0.214 175.595 176.094 -0.476 0.000 1.192 212 V CA -1.095 61.009 62.300 -0.327 0.000 0.962 212 V CB 1.973 33.687 31.823 -0.181 0.000 1.045 212 V HN 0.277 nan 8.190 nan 0.000 0.428 213 G N 1.649 109.904 108.800 -0.908 0.000 2.488 213 G HA2 0.747 4.707 3.960 -0.000 0.000 0.318 213 G HA3 0.747 4.707 3.960 -0.000 0.000 0.318 213 G C -1.566 173.195 174.900 -0.231 0.000 1.188 213 G CA -0.551 43.919 45.100 -1.050 0.000 0.944 213 G HN 0.791 nan 8.290 nan 0.000 0.495 214 L N 0.007 121.295 121.223 0.109 0.000 2.505 214 L HA 0.700 5.040 4.340 -0.000 0.000 0.266 214 L C -1.713 175.393 176.870 0.394 0.000 0.954 214 L CA -0.808 54.202 54.840 0.283 0.000 0.852 214 L CB 2.075 44.217 42.059 0.138 0.000 1.282 214 L HN 0.492 nan 8.230 nan 0.000 0.403 215 L N 5.313 126.801 121.223 0.442 0.000 2.333 215 L HA 0.812 5.152 4.340 -0.000 0.000 0.280 215 L C -0.877 176.159 176.870 0.277 0.000 1.004 215 L CA -0.011 55.046 54.840 0.361 0.000 0.820 215 L CB 1.277 43.617 42.059 0.468 0.000 1.247 215 L HN 0.851 nan 8.230 nan 0.000 0.416 216 R N 2.854 123.473 120.500 0.198 0.000 2.643 216 R HA 0.677 5.017 4.340 -0.000 0.000 0.269 216 R C -0.792 175.558 176.300 0.083 0.000 1.037 216 R CA -0.514 55.708 56.100 0.203 0.000 0.894 216 R CB 1.716 32.096 30.300 0.133 0.000 1.238 216 R HN 0.851 nan 8.270 nan 0.000 0.459 217 G N 0.555 109.411 108.800 0.094 0.000 2.444 217 G HA2 0.451 4.411 3.960 -0.000 0.000 0.268 217 G HA3 0.451 4.411 3.960 -0.000 0.000 0.268 217 G C -0.102 174.786 174.900 -0.019 0.000 1.203 217 G CA -0.172 44.905 45.100 -0.038 0.000 0.835 217 G HN 0.652 nan 8.290 nan 0.000 0.543 218 G N -1.015 107.759 108.800 -0.043 0.000 2.537 218 G HA2 0.452 4.412 3.960 -0.000 0.000 0.297 218 G HA3 0.452 4.412 3.960 -0.000 0.000 0.297 218 G C -0.191 174.690 174.900 -0.032 0.000 1.310 218 G CA -0.554 44.526 45.100 -0.033 0.000 1.027 218 G HN 0.678 nan 8.290 nan 0.000 0.505 219 V N 1.497 121.398 119.914 -0.022 0.000 2.655 219 V HA 0.117 4.236 4.120 -0.000 0.000 0.300 219 V C 0.509 176.606 176.094 0.004 0.000 1.044 219 V CA -0.080 62.217 62.300 -0.005 0.000 1.095 219 V CB 1.068 32.890 31.823 -0.001 0.000 0.952 219 V HN 0.481 nan 8.190 nan 0.000 0.485 220 M N 3.686 123.303 119.600 0.028 0.000 2.291 220 M HA 0.264 4.744 4.480 -0.000 0.000 0.324 220 M C 1.108 177.458 176.300 0.084 0.000 1.148 220 M CA 0.073 55.406 55.300 0.055 0.000 1.104 220 M CB 1.325 33.977 32.600 0.087 0.000 1.483 220 M HN 0.832 nan 8.290 nan 0.000 0.467 221 S N -0.454 115.304 115.700 0.097 0.000 2.514 221 S HA 0.046 4.515 4.470 -0.000 0.000 0.223 221 S C 0.705 175.375 174.600 0.117 0.000 1.046 221 S CA -0.137 58.113 58.200 0.084 0.000 0.914 221 S CB -0.188 63.045 63.200 0.055 0.000 0.807 221 S HN 0.740 nan 8.310 nan 0.000 0.497 222 H N 4.908 124.023 119.070 0.075 0.000 3.064 222 H HA 0.094 4.650 4.556 -0.000 0.000 0.329 222 H C -1.414 173.984 175.328 0.117 0.000 1.020 222 H CA -0.188 55.919 56.048 0.098 0.000 1.402 222 H CB 1.104 30.940 29.762 0.123 0.000 1.379 222 H HN 0.135 nan 8.280 nan 0.000 0.594 223 P HA -0.205 nan 4.420 nan 0.000 0.216 223 P C 0.888 178.276 177.300 0.146 0.000 1.154 223 P CA 1.589 64.695 63.100 0.009 0.000 0.865 223 P CB 0.128 31.759 31.700 -0.115 0.000 0.789 224 R N -2.040 118.687 120.500 0.379 0.000 2.307 224 R HA 0.000 4.340 4.340 -0.000 0.000 0.199 224 R C 0.817 176.990 176.300 -0.211 0.000 1.000 224 R CA 0.798 56.979 56.100 0.135 0.000 1.023 224 R CB -0.309 30.122 30.300 0.219 0.000 0.908 224 R HN 0.362 nan 8.270 nan 0.000 0.473 225 Y N -0.460 119.936 120.300 0.161 0.000 2.779 225 Y HA 0.236 4.785 4.550 -0.000 0.000 0.251 225 Y C 0.035 175.970 175.900 0.058 0.000 1.145 225 Y CA -0.825 57.325 58.100 0.084 0.000 1.201 225 Y CB 0.504 38.994 38.460 0.051 0.000 1.281 225 Y HN -0.272 nan 8.280 nan 0.000 0.563 226 R N 1.270 121.853 120.500 0.138 0.000 2.526 226 R HA -0.006 4.334 4.340 -0.000 0.000 0.319 226 R C 1.319 177.654 176.300 0.059 0.000 0.888 226 R CA 1.314 57.465 56.100 0.085 0.000 1.127 226 R CB -0.558 29.770 30.300 0.046 0.000 0.888 226 R HN 0.757 nan 8.270 nan 0.000 0.410 227 G N 2.643 111.477 108.800 0.056 0.000 2.184 227 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.264 227 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.264 227 G C -0.005 174.918 174.900 0.037 0.000 0.975 227 G CA 0.430 45.552 45.100 0.036 0.000 0.642 227 G HN 0.516 nan 8.290 nan 0.000 0.536 228 K N 0.607 121.044 120.400 0.063 0.000 2.159 228 K HA 0.519 4.839 4.320 -0.000 0.000 0.266 228 K C 0.527 177.152 176.600 0.042 0.000 0.975 228 K CA -0.811 55.512 56.287 0.060 0.000 0.865 228 K CB 1.445 34.001 32.500 0.093 0.000 1.087 228 K HN 0.193 nan 8.250 nan 0.000 0.446 229 R N 1.093 121.596 120.500 0.004 0.000 2.539 229 R HA 0.320 4.660 4.340 -0.000 0.000 0.275 229 R C -0.481 175.763 176.300 -0.093 0.000 1.077 229 R CA -0.390 55.693 56.100 -0.030 0.000 1.097 229 R CB 0.847 31.136 30.300 -0.019 0.000 1.018 229 R HN 0.250 nan 8.270 nan 0.000 0.483 230 V N 3.856 123.682 119.914 -0.147 0.000 2.623 230 V HA 0.121 4.241 4.120 -0.000 0.000 0.304 230 V C -0.032 175.952 176.094 -0.182 0.000 1.054 230 V CA -0.607 61.508 62.300 -0.309 0.000 0.882 230 V CB 1.563 33.095 31.823 -0.484 0.000 1.002 230 V HN 0.744 nan 8.190 nan 0.000 0.424 231 F N 3.023 122.783 119.950 -0.316 0.000 2.037 231 F HA 0.229 4.756 4.527 -0.000 0.000 0.291 231 F C 1.213 176.938 175.800 -0.124 0.000 1.137 231 F CA 1.909 59.802 58.000 -0.178 0.000 1.178 231 F CB 0.422 39.337 39.000 -0.143 0.000 0.995 231 F HN 0.549 nan 8.300 nan 0.000 0.472 232 S N -1.782 113.934 115.700 0.026 0.000 2.548 232 S HA 0.587 5.057 4.470 -0.000 0.000 0.278 232 S C -0.303 174.410 174.600 0.190 0.000 1.150 232 S CA -0.301 57.895 58.200 -0.007 0.000 0.907 232 S CB 1.133 64.279 63.200 -0.089 0.000 1.108 232 S HN 0.498 nan 8.310 nan 0.000 0.459 233 A N 2.656 125.547 122.820 0.118 0.000 2.387 233 A HA 0.709 5.029 4.320 -0.000 0.000 0.234 233 A C 1.327 178.904 177.584 -0.010 0.000 1.253 233 A CA 0.679 52.783 52.037 0.111 0.000 0.894 233 A CB -1.086 17.954 19.000 0.068 0.000 0.963 233 A HN 2.295 nan 8.150 nan 0.000 0.508 234 G N -0.395 108.411 108.800 0.011 0.000 2.660 234 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.215 234 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.215 234 G C 0.040 174.925 174.900 -0.025 0.000 1.345 234 G CA -0.272 44.828 45.100 0.001 0.000 0.877 234 G HN 0.839 nan 8.290 nan 0.000 0.549 235 I N 0.846 121.405 120.570 -0.018 0.000 2.892 235 I HA 0.080 4.250 4.170 -0.000 0.000 0.287 235 I C 0.861 176.851 176.117 -0.212 0.000 1.205 235 I CA -0.416 60.840 61.300 -0.074 0.000 1.409 235 I CB 0.386 38.343 38.000 -0.072 0.000 1.367 235 I HN 0.620 nan 8.210 nan 0.000 0.597 236 N N 6.563 125.091 118.700 -0.287 0.000 2.402 236 N HA 0.054 4.794 4.740 -0.000 0.000 0.259 236 N C 0.629 175.955 175.510 -0.307 0.000 1.167 236 N CA 0.145 52.970 53.050 -0.375 0.000 0.949 236 N CB 0.623 38.730 38.487 -0.633 0.000 1.212 236 N HN 0.576 nan 8.380 nan 0.000 0.493 237 L N 3.408 124.429 121.223 -0.337 0.000 2.275 237 L HA -0.101 4.239 4.340 -0.000 0.000 0.215 237 L C 2.115 178.935 176.870 -0.083 0.000 1.119 237 L CA 0.958 55.631 54.840 -0.277 0.000 0.790 237 L CB -0.031 41.696 42.059 -0.552 0.000 0.919 237 L HN 0.440 nan 8.230 nan 0.000 0.443 238 K N -0.984 119.404 120.400 -0.021 0.000 2.031 238 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 238 K C 2.162 178.868 176.600 0.176 0.000 1.049 238 K CA 1.134 57.488 56.287 0.112 0.000 0.939 238 K CB -0.208 32.374 32.500 0.136 0.000 0.717 238 K HN 0.066 nan 8.250 nan 0.000 0.438 239 Y N 1.339 121.605 120.300 -0.056 0.000 2.128 239 Y HA -0.194 4.356 4.550 -0.000 0.000 0.284 239 Y C 2.221 178.056 175.900 -0.109 0.000 1.154 239 Y CA 0.522 58.572 58.100 -0.084 0.000 1.149 239 Y CB -0.957 37.430 38.460 -0.122 0.000 0.976 239 Y HN 0.038 nan 8.280 nan 0.000 0.505 240 L N -0.926 120.315 121.223 0.030 0.000 2.079 240 L HA -0.244 4.095 4.340 -0.000 0.000 0.210 240 L C 2.607 179.443 176.870 -0.056 0.000 1.081 240 L CA 1.854 56.653 54.840 -0.069 0.000 0.752 240 L CB -0.371 41.615 42.059 -0.122 0.000 0.896 240 L HN 0.202 nan 8.230 nan 0.000 0.433 241 S N -0.937 114.755 115.700 -0.012 0.000 2.428 241 S HA -0.173 4.297 4.470 -0.000 0.000 0.230 241 S C 1.709 176.309 174.600 0.000 0.000 1.014 241 S CA 1.048 59.247 58.200 -0.003 0.000 0.957 241 S CB -0.071 63.150 63.200 0.035 0.000 0.784 241 S HN 0.617 nan 8.310 nan 0.000 0.499 242 Q N -0.411 119.399 119.800 0.016 0.000 2.403 242 Q HA 0.286 4.626 4.340 -0.000 0.000 0.203 242 Q C 1.253 177.234 176.000 -0.032 0.000 0.932 242 Q CA 0.367 56.170 55.803 0.000 0.000 0.945 242 Q CB 0.331 29.079 28.738 0.016 0.000 1.045 242 Q HN 0.646 nan 8.270 nan 0.000 0.511 243 G N 0.062 108.836 108.800 -0.043 0.000 2.157 243 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.248 243 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.248 243 G C 0.609 175.475 174.900 -0.057 0.000 0.979 243 G CA -0.002 45.067 45.100 -0.052 0.000 0.650 243 G HN 0.509 nan 8.290 nan 0.000 0.529 244 G N -0.547 108.208 108.800 -0.075 0.000 2.985 244 G HA2 0.409 4.369 3.960 -0.000 0.000 0.209 244 G HA3 0.409 4.369 3.960 -0.000 0.000 0.209 244 G C 0.517 175.369 174.900 -0.081 0.000 1.165 244 G CA 0.175 45.210 45.100 -0.109 0.000 0.776 244 G HN 0.444 nan 8.290 nan 0.000 0.541 245 I N 1.708 122.226 120.570 -0.086 0.000 2.307 245 I HA 0.221 4.391 4.170 -0.000 0.000 0.289 245 I C 0.197 176.301 176.117 -0.022 0.000 1.021 245 I CA -0.763 60.456 61.300 -0.135 0.000 1.224 245 I CB 0.894 38.749 38.000 -0.242 0.000 1.376 245 I HN -0.062 nan 8.210 nan 0.000 0.470 246 S N 5.450 121.196 115.700 0.076 0.000 2.499 246 S HA 0.149 4.619 4.470 -0.000 0.000 0.275 246 S C 1.100 175.812 174.600 0.186 0.000 1.257 246 S CA -0.567 57.712 58.200 0.131 0.000 1.050 246 S CB 0.614 63.900 63.200 0.144 0.000 0.937 246 S HN 0.533 nan 8.310 nan 0.000 0.490 247 L N 7.054 128.366 121.223 0.148 0.000 2.012 247 L HA -0.028 4.311 4.340 -0.000 0.000 0.210 247 L C 1.903 178.870 176.870 0.161 0.000 1.073 247 L CA 2.049 56.976 54.840 0.146 0.000 0.748 247 L CB -0.690 41.448 42.059 0.132 0.000 0.891 247 L HN 0.637 nan 8.230 nan 0.000 0.431 248 V N -0.411 119.595 119.914 0.154 0.000 2.300 248 V HA -0.140 3.980 4.120 -0.000 0.000 0.241 248 V C 2.051 178.233 176.094 0.146 0.000 1.034 248 V CA 1.701 64.089 62.300 0.147 0.000 1.021 248 V CB -0.681 31.227 31.823 0.141 0.000 0.662 248 V HN 0.394 nan 8.190 nan 0.000 0.458 249 D N -1.049 119.445 120.400 0.156 0.000 2.310 249 D HA -0.093 4.547 4.640 -0.000 0.000 0.212 249 D C 1.472 177.894 176.300 0.203 0.000 0.965 249 D CA 1.222 55.316 54.000 0.157 0.000 0.879 249 D CB 0.191 41.078 40.800 0.145 0.000 0.921 249 D HN 0.504 nan 8.370 nan 0.000 0.510 250 F N 0.001 120.003 119.950 0.086 0.000 2.373 250 F HA 0.166 4.693 4.527 -0.000 0.000 0.253 250 F C 1.962 177.821 175.800 0.099 0.000 0.954 250 F CA -0.142 57.913 58.000 0.090 0.000 1.136 250 F CB -0.440 38.608 39.000 0.080 0.000 1.342 250 F HN -0.305 nan 8.300 nan 0.000 0.701 251 L N 0.555 121.953 121.223 0.292 0.000 2.021 251 L HA -0.294 4.046 4.340 -0.000 0.000 0.215 251 L C 2.388 179.345 176.870 0.144 0.000 1.074 251 L CA 1.515 56.483 54.840 0.213 0.000 0.760 251 L CB -0.704 41.546 42.059 0.319 0.000 0.889 251 L HN 0.351 nan 8.230 nan 0.000 0.433 252 M N -1.224 118.471 119.600 0.158 0.000 2.248 252 M HA -0.095 4.385 4.480 -0.000 0.000 0.265 252 M C 2.335 178.656 176.300 0.035 0.000 1.079 252 M CA 1.266 56.649 55.300 0.138 0.000 1.150 252 M CB -1.058 31.631 32.600 0.148 0.000 1.366 252 M HN 0.210 nan 8.290 nan 0.000 0.433 253 R N 1.279 121.792 120.500 0.021 0.000 2.091 253 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 253 R C 2.416 178.673 176.300 -0.072 0.000 1.136 253 R CA 1.916 58.017 56.100 0.002 0.000 0.959 253 R CB -0.167 30.153 30.300 0.033 0.000 0.856 253 R HN 0.441 nan 8.270 nan 0.000 0.437 254 R N 0.003 120.387 120.500 -0.194 0.000 2.081 254 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 254 R C 1.542 177.607 176.300 -0.391 0.000 1.131 254 R CA 1.405 57.300 56.100 -0.341 0.000 0.960 254 R CB -0.445 29.566 30.300 -0.483 0.000 0.856 254 R HN 0.173 nan 8.270 nan 0.000 0.436 255 E N 1.454 121.501 120.200 -0.256 0.000 2.077 255 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 255 E C 2.224 178.796 176.600 -0.046 0.000 0.989 255 E CA 1.188 57.472 56.400 -0.193 0.000 0.800 255 E CB -0.144 29.427 29.700 -0.216 0.000 0.746 255 E HN 0.489 nan 8.360 nan 0.000 0.452 256 L N -0.465 120.758 121.223 0.000 0.000 2.477 256 L HA 0.181 4.521 4.340 -0.000 0.000 0.220 256 L C 1.962 178.880 176.870 0.080 0.000 1.106 256 L CA 0.488 55.388 54.840 0.100 0.000 0.851 256 L CB -0.382 41.736 42.059 0.098 0.000 0.994 256 L HN 0.050 nan 8.230 nan 0.000 0.462 257 G N 0.520 109.320 108.800 0.001 0.000 2.672 257 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.200 257 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.200 257 G C 1.203 176.103 174.900 0.001 0.000 1.819 257 G CA 0.626 45.736 45.100 0.016 0.000 0.902 257 G HN 0.310 nan 8.290 nan 0.000 0.512 258 Y N 0.467 120.712 120.300 -0.091 0.000 2.200 258 Y HA 0.098 4.648 4.550 -0.000 0.000 0.290 258 Y C 2.491 178.270 175.900 -0.202 0.000 1.137 258 Y CA 1.250 59.259 58.100 -0.151 0.000 1.163 258 Y CB -0.497 37.865 38.460 -0.163 0.000 0.988 258 Y HN 0.149 nan 8.280 nan 0.000 0.518 259 I N 0.727 120.900 120.570 -0.662 0.000 2.208 259 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 259 I C 2.686 178.643 176.117 -0.266 0.000 1.097 259 I CA 2.138 63.128 61.300 -0.517 0.000 1.363 259 I CB -0.718 36.953 38.000 -0.549 0.000 1.051 259 I HN 0.460 nan 8.210 nan 0.000 0.413 260 H N 1.131 120.009 119.070 -0.321 0.000 2.524 260 H HA -0.071 4.485 4.556 -0.000 0.000 0.282 260 H C 1.936 177.091 175.328 -0.288 0.000 1.016 260 H CA 0.762 56.604 56.048 -0.344 0.000 1.270 260 H CB 0.363 29.931 29.762 -0.323 0.000 1.394 260 H HN 0.262 nan 8.280 nan 0.000 0.568 261 K N 0.076 120.343 120.400 -0.221 0.000 2.243 261 K HA 0.028 4.348 4.320 -0.000 0.000 0.201 261 K C 2.060 178.512 176.600 -0.247 0.000 1.051 261 K CA 0.157 56.309 56.287 -0.225 0.000 0.970 261 K CB 0.360 32.788 32.500 -0.120 0.000 0.755 261 K HN 0.243 nan 8.250 nan 0.000 0.465 262 L N 0.363 121.372 121.223 -0.356 0.000 2.201 262 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 262 L C 1.943 178.616 176.870 -0.328 0.000 1.105 262 L CA 0.733 55.244 54.840 -0.548 0.000 0.775 262 L CB -0.215 41.370 42.059 -0.790 0.000 0.913 262 L HN 0.003 nan 8.230 nan 0.000 0.440 263 V N -0.647 119.098 119.914 -0.281 0.000 2.436 263 V HA -0.076 4.044 4.120 -0.000 0.000 0.240 263 V C 2.101 178.062 176.094 -0.221 0.000 1.040 263 V CA 1.290 63.457 62.300 -0.222 0.000 1.052 263 V CB -0.264 31.433 31.823 -0.210 0.000 0.707 263 V HN 0.360 nan 8.190 nan 0.000 0.469 264 R N -0.134 120.169 120.500 -0.329 0.000 2.362 264 R HA 0.432 4.772 4.340 -0.000 0.000 0.227 264 R C 0.969 177.137 176.300 -0.221 0.000 0.905 264 R CA 0.618 56.535 56.100 -0.306 0.000 1.067 264 R CB 0.695 30.714 30.300 -0.468 0.000 1.078 264 R HN 0.553 nan 8.270 nan 0.000 0.516 265 G N 1.019 109.716 108.800 -0.173 0.000 2.725 265 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.220 265 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.220 265 G C -0.349 174.483 174.900 -0.112 0.000 1.357 265 G CA -0.426 44.618 45.100 -0.092 0.000 0.866 265 G HN 0.168 nan 8.290 nan 0.000 0.548 266 V N -2.281 117.598 119.914 -0.059 0.000 2.472 266 V HA 0.781 4.901 4.120 -0.000 0.000 0.290 266 V C 0.495 176.562 176.094 -0.045 0.000 1.037 266 V CA -0.972 61.297 62.300 -0.051 0.000 0.908 266 V CB 1.560 33.378 31.823 -0.008 0.000 0.985 266 V HN 1.533 nan 8.190 nan 0.000 0.454 267 L N 5.606 126.798 121.223 -0.053 0.000 2.281 267 L HA 0.646 4.986 4.340 -0.000 0.000 0.285 267 L C 0.650 177.555 176.870 0.060 0.000 1.074 267 L CA 0.926 55.754 54.840 -0.019 0.000 0.817 267 L CB 0.793 42.816 42.059 -0.060 0.000 1.168 267 L HN 1.167 nan 8.230 nan 0.000 0.434 268 T N 1.755 116.404 114.554 0.157 0.000 2.864 268 T HA 0.534 4.884 4.350 -0.000 0.000 0.276 268 T C 0.237 175.112 174.700 0.292 0.000 1.006 268 T CA -0.910 61.304 62.100 0.191 0.000 0.970 268 T CB 0.665 69.639 68.868 0.177 0.000 1.420 268 T HN 0.525 nan 8.240 nan 0.000 0.601 269 N N 0.926 119.698 118.700 0.121 0.000 2.476 269 N HA 0.238 4.978 4.740 -0.000 0.000 0.275 269 N C -0.591 174.610 175.510 -0.516 0.000 1.190 269 N CA -0.496 52.506 53.050 -0.081 0.000 0.977 269 N CB 1.045 39.476 38.487 -0.093 0.000 1.200 269 N HN 0.794 nan 8.380 nan 0.000 0.515 270 D N 0.195 119.954 120.400 -1.069 0.000 2.911 270 D HA -0.028 4.612 4.640 -0.000 0.000 0.233 270 D C 0.213 176.128 176.300 -0.643 0.000 1.134 270 D CA 0.085 53.099 54.000 -1.643 0.000 1.011 270 D CB -0.358 39.549 40.800 -1.487 0.000 1.174 270 D HN 0.451 nan 8.370 nan 0.000 0.440 271 D N -1.067 119.107 120.400 -0.375 0.000 2.429 271 D HA -0.017 4.623 4.640 -0.000 0.000 0.242 271 D C 0.699 176.967 176.300 -0.053 0.000 1.076 271 D CA 0.006 53.913 54.000 -0.154 0.000 0.955 271 D CB -0.329 40.420 40.800 -0.085 0.000 1.076 271 D HN 0.204 nan 8.370 nan 0.000 0.448 272 R N 1.522 122.026 120.500 0.007 0.000 2.924 272 R HA 0.223 4.562 4.340 -0.000 0.000 0.272 272 R C -1.999 174.354 176.300 0.089 0.000 1.012 272 R CA -0.975 55.157 56.100 0.052 0.000 1.171 272 R CB -1.204 29.137 30.300 0.069 0.000 1.086 272 R HN 0.195 nan 8.270 nan 0.000 0.489 273 P HA 0.113 nan 4.420 nan 0.000 0.282 273 P C 0.266 177.590 177.300 0.040 0.000 1.249 273 P CA 0.175 63.347 63.100 0.120 0.000 0.806 273 P CB 1.347 33.114 31.700 0.113 0.000 0.984 274 G N 1.687 110.486 108.800 -0.002 0.000 2.176 274 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.253 274 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.253 274 G C 0.681 174.958 174.900 -1.037 0.000 0.979 274 G CA 0.250 44.917 45.100 -0.722 0.000 0.641 274 G HN 0.562 nan 8.290 nan 0.000 0.530 275 W N 1.772 122.802 121.300 -0.450 0.000 2.331 275 W HA -0.065 4.595 4.660 -0.000 0.000 0.291 275 W C 2.444 178.807 176.519 -0.260 0.000 1.214 275 W CA 2.544 59.719 57.345 -0.283 0.000 1.228 275 W CB -0.270 29.150 29.460 -0.067 0.000 1.135 275 W HN 0.574 nan 8.180 nan 0.000 0.537 276 W N 0.449 121.787 121.300 0.065 0.000 2.468 276 W HA -0.150 4.510 4.660 -0.000 0.000 0.262 276 W C 0.912 177.368 176.519 -0.105 0.000 1.241 276 W CA 1.415 58.774 57.345 0.024 0.000 1.232 276 W CB -1.841 27.691 29.460 0.121 0.000 1.124 276 W HN 0.404 nan 8.180 nan 0.000 0.597 277 H N -1.647 117.011 119.070 -0.686 0.000 2.923 277 H HA 0.465 5.021 4.556 -0.000 0.000 0.268 277 H C -0.435 174.608 175.328 -0.475 0.000 1.148 277 H CA -0.274 55.411 56.048 -0.605 0.000 1.146 277 H CB -0.204 28.972 29.762 -0.975 0.000 1.607 277 H HN -0.110 nan 8.280 nan 0.000 0.566 278 S N 1.895 117.273 115.700 -0.537 0.000 2.777 278 S HA 0.136 4.605 4.470 -0.000 0.000 0.140 278 S C -2.339 171.949 174.600 -0.520 0.000 1.233 278 S CA -0.620 57.357 58.200 -0.372 0.000 1.157 278 S CB 1.456 64.539 63.200 -0.196 0.000 1.600 278 S HN 0.235 nan 8.310 nan 0.000 0.432 279 P HA -0.033 nan 4.420 nan 0.000 0.226 279 P C 0.118 177.228 177.300 -0.318 0.000 1.153 279 P CA 0.498 63.030 63.100 -0.946 0.000 0.777 279 P CB 0.363 31.441 31.700 -1.037 0.000 0.794 280 R N -0.057 120.299 120.500 -0.240 0.000 2.604 280 R HA 0.603 4.943 4.340 -0.000 0.000 0.287 280 R C -0.051 176.194 176.300 -0.093 0.000 0.970 280 R CA -0.931 55.091 56.100 -0.130 0.000 0.946 280 R CB 1.648 31.859 30.300 -0.148 0.000 1.127 280 R HN -0.002 nan 8.270 nan 0.000 0.473 281 I N 2.947 123.489 120.570 -0.046 0.000 2.330 281 I HA 0.194 4.364 4.170 -0.000 0.000 0.289 281 I C 0.099 176.208 176.117 -0.014 0.000 1.001 281 I CA -0.248 61.038 61.300 -0.022 0.000 1.193 281 I CB 1.286 39.291 38.000 0.008 0.000 1.345 281 I HN 0.641 nan 8.210 nan 0.000 0.461 282 E N 6.632 126.822 120.200 -0.016 0.000 2.359 282 E HA 0.793 5.143 4.350 -0.000 0.000 0.266 282 E C -1.464 175.149 176.600 0.021 0.000 0.920 282 E CA -1.166 55.240 56.400 0.011 0.000 0.788 282 E CB 2.680 32.365 29.700 -0.025 0.000 1.279 282 E HN 0.377 nan 8.360 nan 0.000 0.438 283 K N 0.177 120.618 120.400 0.068 0.000 2.555 283 K HA 0.421 4.741 4.320 -0.000 0.000 0.279 283 K C -2.797 173.817 176.600 0.024 0.000 0.986 283 K CA -2.105 54.175 56.287 -0.012 0.000 0.880 283 K CB 2.268 34.693 32.500 -0.125 0.000 1.474 283 K HN 0.437 nan 8.250 nan 0.000 0.433 284 P HA 0.183 nan 4.420 nan 0.000 0.274 284 P C -1.304 175.949 177.300 -0.078 0.000 1.237 284 P CA -0.229 62.882 63.100 0.018 0.000 0.793 284 P CB 0.525 32.221 31.700 -0.006 0.000 0.977 285 W N 0.203 121.504 121.300 0.002 0.000 2.936 285 W HA 0.479 5.138 4.660 -0.000 0.000 0.338 285 W C -1.093 175.599 176.519 0.289 0.000 1.121 285 W CA -0.385 57.005 57.345 0.076 0.000 1.209 285 W CB 1.916 31.281 29.460 -0.159 0.000 1.420 285 W HN 0.009 nan 8.180 nan 0.000 0.516 286 V N 2.427 122.706 119.914 0.610 0.000 2.604 286 V HA 0.873 4.993 4.120 -0.000 0.000 0.305 286 V C -0.372 175.946 176.094 0.373 0.000 1.043 286 V CA -1.071 61.487 62.300 0.429 0.000 0.888 286 V CB 1.339 33.281 31.823 0.198 0.000 0.995 286 V HN 0.632 nan 8.190 nan 0.000 0.429 287 A N 3.285 126.091 122.820 -0.023 0.000 2.365 287 A HA 0.984 5.303 4.320 -0.000 0.000 0.318 287 A C -0.349 177.097 177.584 -0.229 0.000 1.091 287 A CA -0.382 51.419 52.037 -0.393 0.000 0.763 287 A CB 1.712 19.964 19.000 -1.247 0.000 1.248 287 A HN 1.451 nan 8.150 nan 0.000 0.442 288 A N 1.643 124.372 122.820 -0.151 0.000 2.335 288 A HA 0.648 4.968 4.320 -0.000 0.000 0.304 288 A C -0.990 176.479 177.584 -0.192 0.000 1.118 288 A CA -0.409 51.558 52.037 -0.117 0.000 0.757 288 A CB 1.127 20.123 19.000 -0.007 0.000 1.188 288 A HN 1.097 nan 8.150 nan 0.000 0.460 289 V N 3.566 123.321 119.914 -0.265 0.000 2.370 289 V HA 0.376 4.496 4.120 -0.000 0.000 0.283 289 V C -0.687 175.336 176.094 -0.118 0.000 1.023 289 V CA -0.544 61.565 62.300 -0.319 0.000 0.857 289 V CB 1.464 33.064 31.823 -0.372 0.000 0.985 289 V HN 0.888 nan 8.190 nan 0.000 0.443 290 D N 3.377 123.733 120.400 -0.073 0.000 2.350 290 D HA 0.557 5.197 4.640 -0.000 0.000 0.245 290 D C 0.929 177.104 176.300 -0.209 0.000 1.036 290 D CA 0.529 54.476 54.000 -0.088 0.000 0.848 290 D CB 2.321 43.093 40.800 -0.047 0.000 1.307 290 D HN 0.713 nan 8.370 nan 0.000 0.469 291 G N 2.155 110.823 108.800 -0.220 0.000 5.266 291 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.262 291 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.262 291 G C 0.127 174.731 174.900 -0.493 0.000 1.359 291 G CA 1.081 45.944 45.100 -0.395 0.000 0.955 291 G HN 0.773 nan 8.290 nan 0.000 0.754 292 F N -2.754 116.974 119.950 -0.371 0.000 2.829 292 F HA 0.672 5.199 4.527 -0.000 0.000 0.319 292 F C -0.559 175.055 175.800 -0.311 0.000 1.153 292 F CA -0.748 56.839 58.000 -0.688 0.000 0.912 292 F CB 0.798 38.949 39.000 -1.415 0.000 1.292 292 F HN 1.248 nan 8.300 nan 0.000 0.447 293 A N 2.622 125.474 122.820 0.053 0.000 2.363 293 A HA 0.816 5.136 4.320 -0.000 0.000 0.296 293 A C -1.152 176.536 177.584 0.172 0.000 1.237 293 A CA -0.527 51.667 52.037 0.262 0.000 0.773 293 A CB 0.297 19.417 19.000 0.200 0.000 1.153 293 A HN 0.703 nan 8.150 nan 0.000 0.473 294 I N 2.093 122.766 120.570 0.171 0.000 2.562 294 I HA 0.589 4.758 4.170 -0.000 0.000 0.301 294 I C 1.378 177.533 176.117 0.063 0.000 1.003 294 I CA -0.003 61.333 61.300 0.059 0.000 1.127 294 I CB 1.825 39.792 38.000 -0.055 0.000 1.304 294 I HN 0.931 nan 8.210 nan 0.000 0.446 295 G N 3.627 112.448 108.800 0.035 0.000 2.684 295 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.332 295 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.332 295 G C 1.080 176.017 174.900 0.062 0.000 1.306 295 G CA 0.645 45.766 45.100 0.035 0.000 1.002 295 G HN 1.017 nan 8.290 nan 0.000 0.545 296 G N 0.173 109.017 108.800 0.073 0.000 2.545 296 G HA2 0.041 4.000 3.960 -0.000 0.000 0.222 296 G HA3 0.041 4.000 3.960 -0.000 0.000 0.222 296 G C 1.853 176.812 174.900 0.099 0.000 1.126 296 G CA 2.161 47.314 45.100 0.088 0.000 0.754 296 G HN 1.799 nan 8.290 nan 0.000 0.583 297 G N 0.556 109.431 108.800 0.126 0.000 2.421 297 G HA2 0.169 4.129 3.960 -0.000 0.000 0.217 297 G HA3 0.169 4.129 3.960 -0.000 0.000 0.217 297 G C 1.952 177.029 174.900 0.295 0.000 1.143 297 G CA 1.264 46.497 45.100 0.222 0.000 0.784 297 G HN 0.661 nan 8.290 nan 0.000 0.541 298 A N 0.376 123.299 122.820 0.172 0.000 2.014 298 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 298 A C 2.273 179.866 177.584 0.015 0.000 1.163 298 A CA 1.608 53.703 52.037 0.096 0.000 0.652 298 A CB -0.272 18.777 19.000 0.082 0.000 0.808 298 A HN 0.434 nan 8.150 nan 0.000 0.449 299 Q N -0.810 119.007 119.800 0.028 0.000 2.050 299 Q HA -0.148 4.191 4.340 -0.000 0.000 0.202 299 Q C 1.834 177.831 176.000 -0.004 0.000 0.980 299 Q CA 1.263 57.052 55.803 -0.024 0.000 0.840 299 Q CB -0.329 28.396 28.738 -0.021 0.000 0.898 299 Q HN 0.484 nan 8.270 nan 0.000 0.424 300 L N 0.564 121.845 121.223 0.097 0.000 2.081 300 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 300 L C 2.054 179.098 176.870 0.291 0.000 1.080 300 L CA 1.621 56.593 54.840 0.221 0.000 0.754 300 L CB -0.741 41.539 42.059 0.368 0.000 0.893 300 L HN 0.270 nan 8.230 nan 0.000 0.433 301 L N -1.315 119.961 121.223 0.088 0.000 2.265 301 L HA -0.203 4.136 4.340 -0.000 0.000 0.215 301 L C 1.997 178.831 176.870 -0.060 0.000 1.117 301 L CA 0.607 55.422 54.840 -0.042 0.000 0.782 301 L CB -0.538 41.364 42.059 -0.262 0.000 0.914 301 L HN 0.278 nan 8.230 nan 0.000 0.441 302 L N -0.148 120.967 121.223 -0.180 0.000 2.622 302 L HA -0.044 4.296 4.340 -0.000 0.000 0.233 302 L C 1.652 178.555 176.870 0.055 0.000 1.156 302 L CA 0.216 54.827 54.840 -0.382 0.000 0.866 302 L CB -0.340 41.452 42.059 -0.445 0.000 0.980 302 L HN 0.275 nan 8.230 nan 0.000 0.448 303 V N -6.621 113.368 119.914 0.125 0.000 3.398 303 V HA 0.285 4.405 4.120 -0.000 0.000 0.298 303 V C 0.561 176.649 176.094 -0.009 0.000 1.496 303 V CA -0.485 61.843 62.300 0.048 0.000 1.044 303 V CB -0.599 31.153 31.823 -0.117 0.000 0.880 303 V HN -0.041 nan 8.190 nan 0.000 0.443 304 F N 1.713 121.693 119.950 0.051 0.000 2.378 304 F HA 0.450 4.977 4.527 -0.000 0.000 0.319 304 F C 1.421 177.288 175.800 0.112 0.000 1.155 304 F CA 0.133 58.189 58.000 0.094 0.000 1.157 304 F CB 0.967 40.021 39.000 0.090 0.000 1.252 304 F HN -0.026 nan 8.300 nan 0.000 0.550 305 D N -0.380 120.198 120.400 0.296 0.000 2.271 305 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 305 D C 0.118 176.524 176.300 0.177 0.000 0.967 305 D CA 0.840 54.953 54.000 0.189 0.000 0.867 305 D CB 0.338 41.228 40.800 0.150 0.000 0.960 305 D HN 0.164 nan 8.370 nan 0.000 0.509 306 R N -0.207 120.429 120.500 0.227 0.000 2.566 306 R HA 0.507 4.846 4.340 -0.000 0.000 0.271 306 R C -2.267 174.095 176.300 0.102 0.000 1.071 306 R CA -0.571 55.611 56.100 0.137 0.000 0.915 306 R CB 1.582 31.944 30.300 0.103 0.000 1.228 306 R HN -0.209 nan 8.270 nan 0.000 0.449 307 V N 5.415 125.337 119.914 0.013 0.000 2.531 307 V HA 0.560 4.680 4.120 -0.000 0.000 0.301 307 V C -0.757 175.287 176.094 -0.082 0.000 1.034 307 V CA -0.824 61.418 62.300 -0.097 0.000 0.865 307 V CB 1.788 33.511 31.823 -0.166 0.000 0.995 307 V HN 0.517 nan 8.190 nan 0.000 0.424 308 L N 3.592 124.759 121.223 -0.093 0.000 2.342 308 L HA 0.970 5.310 4.340 -0.000 0.000 0.271 308 L C 0.052 176.888 176.870 -0.057 0.000 1.008 308 L CA -0.456 54.356 54.840 -0.048 0.000 0.818 308 L CB 1.866 43.911 42.059 -0.023 0.000 1.296 308 L HN 0.804 nan 8.230 nan 0.000 0.427 309 A N 1.225 124.047 122.820 0.003 0.000 2.556 309 A HA 0.633 4.953 4.320 -0.000 0.000 0.294 309 A C -0.654 176.963 177.584 0.056 0.000 1.091 309 A CA -0.449 51.619 52.037 0.051 0.000 0.704 309 A CB 1.956 21.084 19.000 0.214 0.000 1.300 309 A HN 0.593 nan 8.150 nan 0.000 0.406 310 S N 0.149 115.872 115.700 0.039 0.000 2.565 310 S HA 0.327 4.797 4.470 -0.000 0.000 0.274 310 S C 1.331 175.972 174.600 0.068 0.000 1.309 310 S CA 0.156 58.378 58.200 0.037 0.000 1.043 310 S CB 0.671 63.878 63.200 0.012 0.000 0.939 310 S HN 0.785 nan 8.310 nan 0.000 0.504 311 S N 2.296 118.038 115.700 0.070 0.000 2.407 311 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 311 S C 1.345 176.016 174.600 0.118 0.000 1.036 311 S CA 1.742 59.995 58.200 0.089 0.000 1.013 311 S CB -0.336 62.903 63.200 0.064 0.000 0.820 311 S HN 0.926 nan 8.310 nan 0.000 0.476 312 D N 0.426 120.893 120.400 0.111 0.000 2.342 312 D HA 0.308 4.948 4.640 -0.000 0.000 0.221 312 D C 0.370 176.794 176.300 0.207 0.000 1.101 312 D CA -0.036 54.066 54.000 0.171 0.000 0.837 312 D CB -0.032 40.849 40.800 0.136 0.000 0.938 312 D HN 0.285 nan 8.370 nan 0.000 0.508 313 A N 0.440 123.302 122.820 0.070 0.000 2.271 313 A HA 0.590 4.910 4.320 -0.000 0.000 0.288 313 A C -0.730 176.637 177.584 -0.361 0.000 1.094 313 A CA -0.699 51.246 52.037 -0.153 0.000 0.828 313 A CB 0.452 19.302 19.000 -0.250 0.000 1.091 313 A HN 0.380 nan 8.150 nan 0.000 0.493 314 Y N -2.227 117.622 120.300 -0.752 0.000 2.609 314 Y HA 0.815 5.365 4.550 -0.000 0.000 0.342 314 Y C -1.431 173.679 175.900 -1.316 0.000 1.058 314 Y CA -1.884 55.500 58.100 -1.193 0.000 1.055 314 Y CB 1.185 38.847 38.460 -1.331 0.000 1.292 314 Y HN 0.452 nan 8.280 nan 0.000 0.476 315 F N 1.287 121.220 119.950 -0.028 0.000 2.540 315 F HA 0.802 5.329 4.527 -0.000 0.000 0.317 315 F C -0.309 175.486 175.800 -0.009 0.000 1.104 315 F CA -0.712 57.259 58.000 -0.047 0.000 0.913 315 F CB 2.431 41.379 39.000 -0.085 0.000 1.170 315 F HN 0.770 nan 8.300 nan 0.000 0.450 316 S N 1.848 117.628 115.700 0.135 0.000 2.567 316 S HA 0.785 5.255 4.470 -0.000 0.000 0.270 316 S C -1.707 172.915 174.600 0.037 0.000 1.152 316 S CA -0.993 57.242 58.200 0.060 0.000 0.835 316 S CB 1.609 64.811 63.200 0.004 0.000 1.115 316 S HN 0.661 nan 8.310 nan 0.000 0.459 317 L N 2.163 123.396 121.223 0.016 0.000 2.470 317 L HA 0.422 4.762 4.340 -0.000 0.000 0.253 317 L C -1.640 175.228 176.870 -0.004 0.000 1.163 317 L CA -1.708 53.138 54.840 0.010 0.000 0.932 317 L CB 1.806 43.874 42.059 0.015 0.000 1.213 317 L HN 0.606 nan 8.230 nan 0.000 0.485 318 P HA -0.149 nan 4.420 nan 0.000 0.216 318 P C 0.795 178.080 177.300 -0.025 0.000 1.153 318 P CA 0.625 63.704 63.100 -0.034 0.000 0.848 318 P CB 0.393 32.059 31.700 -0.055 0.000 0.787 319 A N 0.047 122.853 122.820 -0.024 0.000 3.076 319 A HA 0.367 4.686 4.320 -0.000 0.000 0.269 319 A C 1.717 179.298 177.584 -0.006 0.000 1.916 319 A CA 0.483 52.508 52.037 -0.019 0.000 1.492 319 A CB -1.130 17.855 19.000 -0.026 0.000 1.000 319 A HN 0.268 nan 8.150 nan 0.000 0.615 320 A N 1.183 124.001 122.820 -0.003 0.000 1.903 320 A HA 0.012 4.332 4.320 -0.000 0.000 0.213 320 A C 2.155 179.742 177.584 0.005 0.000 1.185 320 A CA 1.042 53.081 52.037 0.004 0.000 0.628 320 A CB -0.119 18.883 19.000 0.004 0.000 0.830 320 A HN 0.513 nan 8.150 nan 0.000 0.446 321 K N -0.326 120.076 120.400 0.004 0.000 2.166 321 K HA 0.040 4.360 4.320 -0.000 0.000 0.201 321 K C 0.248 176.851 176.600 0.005 0.000 1.052 321 K CA 1.074 57.364 56.287 0.006 0.000 0.969 321 K CB 0.110 32.614 32.500 0.007 0.000 0.761 321 K HN 0.623 nan 8.250 nan 0.000 0.459 322 E N 0.134 120.335 120.200 0.002 0.000 3.191 322 E HA 0.191 4.541 4.350 -0.000 0.000 0.192 322 E C 0.056 176.650 176.600 -0.011 0.000 0.972 322 E CA -0.398 56.002 56.400 0.000 0.000 1.266 322 E CB 1.275 30.979 29.700 0.007 0.000 1.076 322 E HN 0.104 nan 8.360 nan 0.000 0.462 323 G N 1.098 109.890 108.800 -0.013 0.000 2.601 323 G HA2 0.624 4.584 3.960 -0.000 0.000 0.317 323 G HA3 0.624 4.584 3.960 -0.000 0.000 0.317 323 G C 0.209 175.099 174.900 -0.017 0.000 1.246 323 G CA -0.849 44.238 45.100 -0.021 0.000 1.012 323 G HN 0.176 nan 8.290 nan 0.000 0.494 324 I N -1.859 118.701 120.570 -0.017 0.000 3.156 324 I HA 0.486 4.655 4.170 -0.000 0.000 0.306 324 I C 0.089 176.227 176.117 0.035 0.000 1.048 324 I CA -0.878 60.416 61.300 -0.009 0.000 1.207 324 I CB 0.733 38.724 38.000 -0.014 0.000 1.456 324 I HN 0.255 nan 8.210 nan 0.000 0.616 325 I N 2.792 123.396 120.570 0.056 0.000 2.618 325 I HA 0.105 4.275 4.170 -0.000 0.000 0.284 325 I C -1.738 174.499 176.117 0.200 0.000 1.146 325 I CA -1.311 60.071 61.300 0.137 0.000 1.425 325 I CB 0.105 38.221 38.000 0.192 0.000 1.383 325 I HN 0.460 nan 8.210 nan 0.000 0.562 326 P HA 0.077 nan 4.420 nan 0.000 0.226 326 P C 0.776 178.143 177.300 0.111 0.000 1.783 326 P CA 0.366 63.535 63.100 0.116 0.000 0.980 326 P CB -0.042 31.698 31.700 0.067 0.000 1.967 327 G N 3.089 111.997 108.800 0.180 0.000 2.651 327 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.315 327 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.315 327 G C 0.917 175.727 174.900 -0.150 0.000 1.258 327 G CA 0.384 45.461 45.100 -0.039 0.000 1.002 327 G HN 0.516 nan 8.290 nan 0.000 0.551 328 A N 0.332 123.008 122.820 -0.241 0.000 2.302 328 A HA 0.682 5.001 4.320 -0.000 0.000 0.219 328 A C 2.430 179.857 177.584 -0.263 0.000 1.243 328 A CA 1.364 53.206 52.037 -0.325 0.000 0.856 328 A CB -0.585 18.224 19.000 -0.319 0.000 0.893 328 A HN 2.054 nan 8.150 nan 0.000 0.491 329 A N 1.006 123.755 122.820 -0.117 0.000 1.930 329 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 329 A C 1.760 179.306 177.584 -0.063 0.000 1.175 329 A CA 1.816 53.800 52.037 -0.087 0.000 0.627 329 A CB -0.518 18.458 19.000 -0.040 0.000 0.815 329 A HN 0.563 nan 8.150 nan 0.000 0.443 330 N N -0.273 118.432 118.700 0.008 0.000 2.244 330 N HA -0.101 4.639 4.740 -0.000 0.000 0.183 330 N C 1.402 176.890 175.510 -0.036 0.000 1.016 330 N CA 1.273 54.370 53.050 0.077 0.000 0.866 330 N CB -0.351 38.295 38.487 0.266 0.000 0.980 330 N HN 0.491 nan 8.380 nan 0.000 0.430 331 L N 0.278 121.264 121.223 -0.396 0.000 2.179 331 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 331 L C 1.581 178.311 176.870 -0.233 0.000 1.096 331 L CA 1.439 55.940 54.840 -0.565 0.000 0.779 331 L CB 0.092 41.349 42.059 -1.336 0.000 0.922 331 L HN 0.013 nan 8.230 nan 0.000 0.443 332 R N -1.459 118.946 120.500 -0.157 0.000 2.225 332 R HA 0.136 4.476 4.340 -0.000 0.000 0.194 332 R C 1.965 178.357 176.300 0.153 0.000 0.957 332 R CA 0.496 56.609 56.100 0.022 0.000 1.042 332 R CB -0.362 29.960 30.300 0.037 0.000 1.004 332 R HN 0.223 nan 8.270 nan 0.000 0.509 333 L N 1.324 122.576 121.223 0.047 0.000 2.079 333 L HA -0.033 4.307 4.340 -0.000 0.000 0.210 333 L C 2.097 179.051 176.870 0.139 0.000 1.081 333 L CA 2.015 56.898 54.840 0.071 0.000 0.752 333 L CB -0.943 41.119 42.059 0.005 0.000 0.896 333 L HN 0.209 nan 8.230 nan 0.000 0.433 334 G N -0.938 107.916 108.800 0.089 0.000 2.476 334 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.218 334 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.218 334 G C 1.802 176.747 174.900 0.074 0.000 1.164 334 G CA 0.857 45.999 45.100 0.070 0.000 0.768 334 G HN 0.418 nan 8.290 nan 0.000 0.560 335 R N -0.632 119.915 120.500 0.078 0.000 2.117 335 R HA -0.084 4.255 4.340 -0.000 0.000 0.243 335 R C 2.263 178.521 176.300 -0.071 0.000 1.143 335 R CA 1.550 57.640 56.100 -0.017 0.000 0.968 335 R CB -0.332 29.933 30.300 -0.058 0.000 0.863 335 R HN 0.457 nan 8.270 nan 0.000 0.444 336 F N -0.888 119.043 119.950 -0.033 0.000 2.179 336 F HA 0.104 4.631 4.527 -0.000 0.000 0.292 336 F C 2.177 177.960 175.800 -0.027 0.000 1.089 336 F CA 1.042 59.021 58.000 -0.034 0.000 1.295 336 F CB 0.085 39.057 39.000 -0.045 0.000 1.041 336 F HN 0.100 nan 8.300 nan 0.000 0.487 337 A N -0.416 122.514 122.820 0.183 0.000 2.469 337 A HA 0.581 4.901 4.320 -0.000 0.000 0.245 337 A C 0.905 178.526 177.584 0.062 0.000 1.221 337 A CA 0.430 52.526 52.037 0.099 0.000 0.946 337 A CB -0.600 18.448 19.000 0.082 0.000 1.049 337 A HN 0.504 nan 8.150 nan 0.000 0.529 338 G N 0.130 108.963 108.800 0.055 0.000 2.730 338 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.686 338 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.686 338 G C -1.448 173.474 174.900 0.037 0.000 1.343 338 G CA -0.239 44.882 45.100 0.036 0.000 0.826 338 G HN 0.090 nan 8.290 nan 0.000 0.582 339 P HA -0.093 nan 4.420 nan 0.000 0.222 339 P C 1.616 178.934 177.300 0.029 0.000 1.147 339 P CA 0.977 64.095 63.100 0.029 0.000 0.790 339 P CB 0.135 31.850 31.700 0.024 0.000 0.780 340 R N -0.175 120.342 120.500 0.028 0.000 2.052 340 R HA 0.040 4.379 4.340 -0.000 0.000 0.224 340 R C 2.421 178.740 176.300 0.031 0.000 1.149 340 R CA 0.779 56.895 56.100 0.027 0.000 0.962 340 R CB -1.526 28.789 30.300 0.025 0.000 0.856 340 R HN 0.109 nan 8.270 nan 0.000 0.433 341 V N 2.043 121.978 119.914 0.035 0.000 2.407 341 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 341 V C 2.583 178.699 176.094 0.037 0.000 1.055 341 V CA 2.113 64.436 62.300 0.039 0.000 1.049 341 V CB -0.727 31.122 31.823 0.044 0.000 0.662 341 V HN 0.452 nan 8.190 nan 0.000 0.455 342 S N 0.821 116.544 115.700 0.038 0.000 2.353 342 S HA -0.284 4.186 4.470 -0.000 0.000 0.222 342 S C 2.079 176.698 174.600 0.032 0.000 1.035 342 S CA 1.640 59.861 58.200 0.036 0.000 1.025 342 S CB -0.530 62.694 63.200 0.041 0.000 0.902 342 S HN 0.579 nan 8.310 nan 0.000 0.440 343 R N 1.207 121.727 120.500 0.032 0.000 2.092 343 R HA 0.008 4.347 4.340 -0.000 0.000 0.231 343 R C 2.895 179.211 176.300 0.027 0.000 1.119 343 R CA 1.615 57.733 56.100 0.030 0.000 0.970 343 R CB -0.402 29.915 30.300 0.028 0.000 0.864 343 R HN 0.603 nan 8.270 nan 0.000 0.440 344 Q N -0.047 119.770 119.800 0.028 0.000 2.096 344 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 344 Q C 2.146 178.161 176.000 0.026 0.000 0.982 344 Q CA 1.555 57.374 55.803 0.027 0.000 0.850 344 Q CB -0.020 28.738 28.738 0.032 0.000 0.901 344 Q HN 0.171 nan 8.270 nan 0.000 0.422 345 V N 0.431 120.361 119.914 0.027 0.000 2.323 345 V HA -0.207 3.913 4.120 -0.000 0.000 0.244 345 V C 1.993 178.098 176.094 0.019 0.000 1.041 345 V CA 1.514 63.828 62.300 0.023 0.000 1.025 345 V CB -0.256 31.581 31.823 0.022 0.000 0.656 345 V HN 0.328 nan 8.190 nan 0.000 0.451 346 I N -0.800 119.783 120.570 0.023 0.000 2.385 346 I HA -0.094 4.076 4.170 -0.000 0.000 0.244 346 I C 2.188 178.319 176.117 0.024 0.000 1.089 346 I CA 1.112 62.427 61.300 0.025 0.000 1.410 346 I CB -0.242 37.779 38.000 0.035 0.000 1.117 346 I HN 0.188 nan 8.210 nan 0.000 0.429 347 L N 0.319 121.557 121.223 0.025 0.000 2.201 347 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 347 L C 1.388 178.268 176.870 0.017 0.000 1.105 347 L CA 1.444 56.297 54.840 0.022 0.000 0.775 347 L CB -0.308 41.765 42.059 0.022 0.000 0.913 347 L HN 0.313 nan 8.230 nan 0.000 0.440 348 E N -0.975 119.234 120.200 0.016 0.000 2.714 348 E HA 0.160 4.510 4.350 -0.000 0.000 0.219 348 E C 0.739 177.343 176.600 0.007 0.000 0.979 348 E CA 0.262 56.669 56.400 0.012 0.000 1.092 348 E CB 0.977 30.686 29.700 0.015 0.000 1.049 348 E HN 0.347 nan 8.360 nan 0.000 0.487 349 G N 3.055 111.858 108.800 0.005 0.000 2.323 349 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.292 349 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.292 349 G C 0.101 174.994 174.900 -0.010 0.000 1.040 349 G CA 0.557 45.654 45.100 -0.005 0.000 0.942 349 G HN 0.215 nan 8.290 nan 0.000 0.506 350 R N -0.003 120.499 120.500 0.003 0.000 2.370 350 R HA 0.350 4.690 4.340 -0.000 0.000 0.309 350 R C 0.917 177.213 176.300 -0.008 0.000 1.059 350 R CA -0.476 55.630 56.100 0.009 0.000 0.981 350 R CB 0.333 30.651 30.300 0.029 0.000 0.972 350 R HN 0.492 nan 8.270 nan 0.000 0.437 351 R N 5.026 125.498 120.500 -0.047 0.000 2.349 351 R HA 0.285 4.625 4.340 -0.000 0.000 0.299 351 R C -0.805 175.431 176.300 -0.106 0.000 1.027 351 R CA -0.355 55.662 56.100 -0.139 0.000 0.958 351 R CB 0.775 30.870 30.300 -0.342 0.000 1.047 351 R HN 0.566 nan 8.270 nan 0.000 0.468 352 I N 4.659 125.197 120.570 -0.054 0.000 2.362 352 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 352 I C -0.719 175.436 176.117 0.063 0.000 0.994 352 I CA -0.783 60.581 61.300 0.107 0.000 1.158 352 I CB 1.182 39.321 38.000 0.232 0.000 1.315 352 I HN 0.592 nan 8.210 nan 0.000 0.451 353 W N 4.120 125.518 121.300 0.163 0.000 2.316 353 W HA 0.442 5.102 4.660 -0.000 0.000 0.321 353 W C 1.335 177.979 176.519 0.209 0.000 1.203 353 W CA -0.422 56.989 57.345 0.111 0.000 1.214 353 W CB 1.062 30.562 29.460 0.066 0.000 1.169 353 W HN 0.580 nan 8.180 nan 0.000 0.561 354 A N 2.361 125.411 122.820 0.383 0.000 1.986 354 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 354 A C 1.903 179.669 177.584 0.304 0.000 1.171 354 A CA 1.492 53.785 52.037 0.426 0.000 0.640 354 A CB -0.212 18.952 19.000 0.273 0.000 0.811 354 A HN 0.526 nan 8.150 nan 0.000 0.451 355 K N 0.345 120.906 120.400 0.269 0.000 2.404 355 K HA 0.050 4.369 4.320 -0.000 0.000 0.194 355 K C 0.457 177.147 176.600 0.150 0.000 1.023 355 K CA 0.349 56.739 56.287 0.172 0.000 1.094 355 K CB 0.065 32.634 32.500 0.114 0.000 0.841 355 K HN 0.923 nan 8.250 nan 0.000 0.523 356 E N 0.079 120.399 120.200 0.200 0.000 2.314 356 E HA 0.149 4.499 4.350 -0.000 0.000 0.262 356 E C -2.084 174.593 176.600 0.127 0.000 1.093 356 E CA -1.809 54.682 56.400 0.152 0.000 0.908 356 E CB 0.610 30.422 29.700 0.186 0.000 1.091 356 E HN -0.277 nan 8.360 nan 0.000 0.425 357 P HA -0.187 nan 4.420 nan 0.000 0.216 357 P C 0.459 177.804 177.300 0.075 0.000 1.150 357 P CA 1.344 64.488 63.100 0.073 0.000 0.837 357 P CB 0.135 31.868 31.700 0.056 0.000 0.786 358 E N -0.819 119.433 120.200 0.088 0.000 2.516 358 E HA -0.004 4.345 4.350 -0.000 0.000 0.199 358 E C 1.812 178.458 176.600 0.077 0.000 1.069 358 E CA 0.414 56.861 56.400 0.078 0.000 0.876 358 E CB -0.285 29.464 29.700 0.082 0.000 0.843 358 E HN 0.225 nan 8.360 nan 0.000 0.530 359 A N 1.569 124.452 122.820 0.105 0.000 1.930 359 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 359 A C 1.960 179.540 177.584 -0.006 0.000 1.175 359 A CA 0.787 52.877 52.037 0.087 0.000 0.627 359 A CB -0.237 18.882 19.000 0.198 0.000 0.815 359 A HN 0.091 nan 8.150 nan 0.000 0.443 360 R N -0.350 120.166 120.500 0.027 0.000 2.377 360 R HA 0.036 4.375 4.340 -0.000 0.000 0.207 360 R C 1.145 177.455 176.300 0.016 0.000 1.075 360 R CA 0.506 56.614 56.100 0.014 0.000 1.035 360 R CB -0.400 29.917 30.300 0.027 0.000 0.857 360 R HN 0.533 nan 8.270 nan 0.000 0.475 361 L N -0.531 120.703 121.223 0.018 0.000 2.307 361 L HA 0.004 4.344 4.340 -0.000 0.000 0.211 361 L C 1.672 178.600 176.870 0.096 0.000 1.099 361 L CA 0.764 55.642 54.840 0.063 0.000 0.816 361 L CB 0.085 42.184 42.059 0.067 0.000 0.952 361 L HN 0.177 nan 8.230 nan 0.000 0.455 362 L N -1.699 119.488 121.223 -0.060 0.000 2.749 362 L HA 0.247 4.587 4.340 -0.000 0.000 0.242 362 L C -0.011 176.707 176.870 -0.254 0.000 1.103 362 L CA -0.073 54.649 54.840 -0.197 0.000 0.906 362 L CB 0.984 42.788 42.059 -0.426 0.000 1.228 362 L HN -0.144 nan 8.230 nan 0.000 0.517 363 V N -0.306 119.479 119.914 -0.214 0.000 2.604 363 V HA 0.242 4.362 4.120 -0.000 0.000 0.305 363 V C 0.070 176.129 176.094 -0.057 0.000 1.043 363 V CA -0.603 61.592 62.300 -0.175 0.000 0.888 363 V CB 2.291 33.990 31.823 -0.207 0.000 0.995 363 V HN 0.041 nan 8.190 nan 0.000 0.429 364 D N 1.981 122.361 120.400 -0.033 0.000 2.162 364 D HA 0.057 4.697 4.640 -0.000 0.000 0.205 364 D C 0.372 176.674 176.300 0.005 0.000 0.964 364 D CA 1.077 55.076 54.000 -0.001 0.000 0.847 364 D CB 0.837 41.644 40.800 0.011 0.000 0.988 364 D HN 0.650 nan 8.370 nan 0.000 0.480 365 E N 0.289 120.490 120.200 0.002 0.000 2.275 365 E HA 0.427 4.777 4.350 -0.000 0.000 0.270 365 E C -1.237 175.379 176.600 0.027 0.000 0.882 365 E CA -0.490 55.919 56.400 0.015 0.000 0.758 365 E CB 3.407 33.115 29.700 0.014 0.000 1.195 365 E HN -0.239 nan 8.360 nan 0.000 0.419 366 V N 3.010 122.950 119.914 0.043 0.000 2.487 366 V HA 0.476 4.596 4.120 -0.000 0.000 0.298 366 V C -0.385 175.738 176.094 0.049 0.000 1.028 366 V CA -0.723 61.615 62.300 0.064 0.000 0.860 366 V CB 1.637 33.514 31.823 0.091 0.000 0.991 366 V HN 0.408 nan 8.190 nan 0.000 0.427 367 V N 2.821 122.762 119.914 0.045 0.000 2.876 367 V HA 0.487 4.607 4.120 -0.000 0.000 0.312 367 V C -0.227 175.888 176.094 0.035 0.000 1.085 367 V CA -0.921 61.399 62.300 0.034 0.000 0.945 367 V CB 2.432 34.270 31.823 0.025 0.000 1.017 367 V HN 0.806 nan 8.190 nan 0.000 0.428 368 E N 4.711 124.929 120.200 0.029 0.000 2.413 368 E HA 0.103 4.453 4.350 -0.000 0.000 0.263 368 E C -1.575 175.039 176.600 0.023 0.000 1.015 368 E CA -1.655 54.762 56.400 0.027 0.000 0.916 368 E CB 0.828 30.541 29.700 0.022 0.000 0.947 368 E HN 0.403 nan 8.360 nan 0.000 0.440 369 P HA -0.159 nan 4.420 nan 0.000 0.224 369 P C 0.149 177.458 177.300 0.015 0.000 1.142 369 P CA 1.091 64.202 63.100 0.019 0.000 0.778 369 P CB 0.457 32.169 31.700 0.020 0.000 0.764 370 D N -0.834 119.575 120.400 0.014 0.000 2.349 370 D HA -0.008 4.632 4.640 -0.000 0.000 0.214 370 D C 1.373 177.679 176.300 0.011 0.000 1.063 370 D CA 0.493 54.501 54.000 0.012 0.000 0.847 370 D CB 0.194 41.000 40.800 0.010 0.000 0.933 370 D HN 0.201 nan 8.370 nan 0.000 0.513 371 E N 0.349 120.556 120.200 0.013 0.000 2.759 371 E HA 0.033 4.383 4.350 -0.000 0.000 0.220 371 E C 1.335 177.943 176.600 0.013 0.000 0.974 371 E CA -0.127 56.280 56.400 0.013 0.000 1.148 371 E CB 0.685 30.393 29.700 0.013 0.000 1.059 371 E HN 0.104 nan 8.360 nan 0.000 0.493 372 L N 1.192 122.424 121.223 0.014 0.000 2.044 372 L HA -0.027 4.313 4.340 -0.000 0.000 0.205 372 L C 1.535 178.413 176.870 0.013 0.000 1.075 372 L CA 1.859 56.707 54.840 0.014 0.000 0.747 372 L CB -0.170 41.897 42.059 0.013 0.000 0.903 372 L HN -0.042 nan 8.230 nan 0.000 0.435 373 D N 0.032 120.439 120.400 0.012 0.000 2.149 373 D HA -0.201 4.439 4.640 -0.000 0.000 0.198 373 D C 2.027 178.335 176.300 0.013 0.000 0.990 373 D CA 1.548 55.556 54.000 0.013 0.000 0.839 373 D CB 0.040 40.846 40.800 0.011 0.000 0.948 373 D HN 0.534 nan 8.370 nan 0.000 0.460 374 A N 0.936 123.763 122.820 0.012 0.000 1.970 374 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 374 A C 2.312 179.904 177.584 0.012 0.000 1.170 374 A CA 1.441 53.484 52.037 0.011 0.000 0.645 374 A CB -0.319 18.686 19.000 0.010 0.000 0.816 374 A HN 0.217 nan 8.150 nan 0.000 0.447 375 A N 0.176 123.003 122.820 0.013 0.000 1.930 375 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 375 A C 2.072 179.665 177.584 0.015 0.000 1.175 375 A CA 1.372 53.417 52.037 0.013 0.000 0.627 375 A CB -0.542 18.467 19.000 0.014 0.000 0.815 375 A HN 0.485 nan 8.150 nan 0.000 0.443 376 I N -0.421 120.159 120.570 0.016 0.000 2.113 376 I HA -0.212 3.958 4.170 -0.000 0.000 0.238 376 I C 2.498 178.628 176.117 0.022 0.000 1.070 376 I CA 1.285 62.598 61.300 0.021 0.000 1.332 376 I CB -0.469 37.545 38.000 0.024 0.000 1.044 376 I HN 0.259 nan 8.210 nan 0.000 0.402 377 E N 0.771 120.982 120.200 0.018 0.000 2.070 377 E HA -0.285 4.065 4.350 -0.000 0.000 0.197 377 E C 2.165 178.772 176.600 0.012 0.000 1.004 377 E CA 1.372 57.781 56.400 0.015 0.000 0.805 377 E CB -0.505 29.202 29.700 0.012 0.000 0.744 377 E HN 0.422 nan 8.360 nan 0.000 0.451 378 R N 1.050 121.557 120.500 0.011 0.000 2.120 378 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 378 R C 2.250 178.556 176.300 0.010 0.000 1.123 378 R CA 1.685 57.791 56.100 0.009 0.000 0.975 378 R CB -0.099 30.206 30.300 0.009 0.000 0.866 378 R HN 0.176 nan 8.270 nan 0.000 0.446 379 S N -0.294 115.415 115.700 0.015 0.000 2.496 379 S HA 0.018 4.488 4.470 -0.000 0.000 0.224 379 S C 1.738 176.348 174.600 0.018 0.000 0.996 379 S CA 0.274 58.485 58.200 0.018 0.000 0.927 379 S CB -0.042 63.173 63.200 0.025 0.000 0.774 379 S HN 0.351 nan 8.310 nan 0.000 0.524 380 L N 2.097 123.328 121.223 0.014 0.000 2.552 380 L HA 0.090 4.429 4.340 -0.000 0.000 0.227 380 L C 2.484 179.350 176.870 -0.007 0.000 1.146 380 L CA 1.173 56.016 54.840 0.004 0.000 0.858 380 L CB -0.522 41.539 42.059 0.004 0.000 0.969 380 L HN 0.605 nan 8.230 nan 0.000 0.451 381 T N -4.976 109.576 114.554 -0.003 0.000 3.023 381 T HA 0.077 4.427 4.350 -0.000 0.000 0.253 381 T C 1.715 176.412 174.700 -0.006 0.000 1.038 381 T CA -0.284 61.812 62.100 -0.007 0.000 0.962 381 T CB 0.113 68.979 68.868 -0.005 0.000 1.018 381 T HN 0.181 nan 8.240 nan 0.000 0.521 382 R N 0.423 120.922 120.500 -0.001 0.000 2.297 382 R HA 0.359 4.699 4.340 -0.000 0.000 0.197 382 R C 0.672 176.970 176.300 -0.003 0.000 0.943 382 R CA 0.354 56.454 56.100 -0.000 0.000 1.038 382 R CB -0.090 30.213 30.300 0.005 0.000 0.957 382 R HN 0.394 nan 8.270 nan 0.000 0.484 383 L N 0.115 121.334 121.223 -0.007 0.000 3.110 383 L HA 0.174 4.514 4.340 -0.000 0.000 0.266 383 L C 0.644 177.499 176.870 -0.025 0.000 1.257 383 L CA -0.200 54.633 54.840 -0.011 0.000 1.038 383 L CB 0.575 42.632 42.059 -0.004 0.000 1.395 383 L HN -0.061 nan 8.230 nan 0.000 0.566 384 D N 1.039 121.424 120.400 -0.025 0.000 2.103 384 D HA -0.038 4.601 4.640 -0.000 0.000 0.199 384 D C 1.473 177.756 176.300 -0.029 0.000 0.978 384 D CA 1.019 55.001 54.000 -0.030 0.000 0.829 384 D CB 0.208 40.993 40.800 -0.025 0.000 0.981 384 D HN 0.355 nan 8.370 nan 0.000 0.464 385 G N 0.415 109.201 108.800 -0.023 0.000 2.593 385 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.279 385 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.279 385 G C 0.338 175.222 174.900 -0.026 0.000 1.329 385 G CA -0.062 45.024 45.100 -0.023 0.000 1.036 385 G HN -0.021 nan 8.290 nan 0.000 0.555 386 D N -0.746 119.639 120.400 -0.026 0.000 2.271 386 D HA 0.172 4.812 4.640 -0.000 0.000 0.206 386 D C 2.567 178.846 176.300 -0.034 0.000 0.967 386 D CA 0.931 54.913 54.000 -0.031 0.000 0.867 386 D CB 0.052 40.833 40.800 -0.031 0.000 0.960 386 D HN 0.360 nan 8.370 nan 0.000 0.509 387 A N 0.381 123.183 122.820 -0.030 0.000 1.865 387 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 387 A C 2.348 179.914 177.584 -0.029 0.000 1.191 387 A CA 1.239 53.259 52.037 -0.030 0.000 0.623 387 A CB -0.964 18.022 19.000 -0.024 0.000 0.826 387 A HN 0.122 nan 8.150 nan 0.000 0.444 388 V N 0.242 120.141 119.914 -0.025 0.000 2.282 388 V HA -0.323 3.797 4.120 -0.000 0.000 0.249 388 V C 2.621 178.700 176.094 -0.025 0.000 1.057 388 V CA 2.225 64.512 62.300 -0.021 0.000 1.032 388 V CB -0.815 30.998 31.823 -0.018 0.000 0.645 388 V HN 0.582 nan 8.190 nan 0.000 0.447 389 L N -0.320 120.885 121.223 -0.030 0.000 2.012 389 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 389 L C 2.702 179.546 176.870 -0.043 0.000 1.073 389 L CA 1.798 56.618 54.840 -0.034 0.000 0.748 389 L CB -0.808 41.229 42.059 -0.037 0.000 0.891 389 L HN 0.395 nan 8.230 nan 0.000 0.431 390 A N -0.073 122.718 122.820 -0.048 0.000 1.873 390 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 390 A C 2.062 179.616 177.584 -0.050 0.000 1.186 390 A CA 1.686 53.689 52.037 -0.057 0.000 0.616 390 A CB -0.553 18.409 19.000 -0.063 0.000 0.823 390 A HN 0.417 nan 8.150 nan 0.000 0.442 391 N N -0.509 118.167 118.700 -0.041 0.000 2.223 391 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 391 N C 1.855 177.344 175.510 -0.036 0.000 1.016 391 N CA 1.180 54.208 53.050 -0.036 0.000 0.863 391 N CB -0.401 38.068 38.487 -0.030 0.000 0.983 391 N HN 0.558 nan 8.380 nan 0.000 0.429 392 R N 1.128 121.609 120.500 -0.032 0.000 2.066 392 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 392 R C 2.269 178.544 176.300 -0.042 0.000 1.131 392 R CA 0.948 57.031 56.100 -0.028 0.000 0.955 392 R CB -0.030 30.261 30.300 -0.016 0.000 0.851 392 R HN 0.123 nan 8.270 nan 0.000 0.432 393 R N -0.082 120.389 120.500 -0.049 0.000 2.083 393 R HA -0.145 4.195 4.340 -0.000 0.000 0.237 393 R C 2.129 178.393 176.300 -0.061 0.000 1.137 393 R CA 1.821 57.884 56.100 -0.062 0.000 0.951 393 R CB -0.077 30.182 30.300 -0.069 0.000 0.851 393 R HN 0.172 nan 8.270 nan 0.000 0.434 394 M N 0.429 119.997 119.600 -0.054 0.000 2.132 394 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 394 M C 2.318 178.589 176.300 -0.049 0.000 1.065 394 M CA 1.356 56.625 55.300 -0.050 0.000 1.122 394 M CB -0.855 31.718 32.600 -0.046 0.000 1.365 394 M HN 0.236 nan 8.290 nan 0.000 0.411 395 L N 0.288 121.481 121.223 -0.049 0.000 2.017 395 L HA -0.253 4.087 4.340 -0.000 0.000 0.208 395 L C 2.198 179.033 176.870 -0.058 0.000 1.073 395 L CA 1.090 55.899 54.840 -0.053 0.000 0.745 395 L CB -0.740 41.290 42.059 -0.049 0.000 0.894 395 L HN 0.343 nan 8.230 nan 0.000 0.432 396 N N -0.216 118.449 118.700 -0.058 0.000 2.309 396 N HA -0.139 4.601 4.740 -0.000 0.000 0.182 396 N C 1.840 177.314 175.510 -0.060 0.000 1.018 396 N CA 0.860 53.873 53.050 -0.062 0.000 0.876 396 N CB -0.110 38.334 38.487 -0.073 0.000 0.972 396 N HN 0.320 nan 8.380 nan 0.000 0.434 397 L N 0.438 121.627 121.223 -0.057 0.000 2.093 397 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 397 L C 1.980 178.826 176.870 -0.039 0.000 1.085 397 L CA 0.968 55.779 54.840 -0.049 0.000 0.755 397 L CB -0.214 41.816 42.059 -0.048 0.000 0.904 397 L HN 0.093 nan 8.230 nan 0.000 0.435 398 A N -0.595 122.199 122.820 -0.044 0.000 1.898 398 A HA -0.164 4.156 4.320 -0.000 0.000 0.214 398 A C 1.754 179.311 177.584 -0.045 0.000 1.183 398 A CA 1.397 53.410 52.037 -0.041 0.000 0.622 398 A CB -0.365 18.608 19.000 -0.045 0.000 0.824 398 A HN 0.396 nan 8.150 nan 0.000 0.444 399 D N -0.526 119.840 120.400 -0.057 0.000 2.183 399 D HA -0.006 4.634 4.640 -0.000 0.000 0.203 399 D C 0.696 176.972 176.300 -0.041 0.000 0.969 399 D CA 1.051 55.011 54.000 -0.066 0.000 0.842 399 D CB 0.119 40.862 40.800 -0.095 0.000 0.957 399 D HN 0.660 nan 8.370 nan 0.000 0.484 400 E N 0.360 120.542 120.200 -0.029 0.000 2.432 400 E HA 0.232 4.582 4.350 -0.000 0.000 0.272 400 E C -1.000 175.604 176.600 0.007 0.000 0.937 400 E CA -0.360 56.037 56.400 -0.004 0.000 0.812 400 E CB 0.977 30.675 29.700 -0.004 0.000 1.377 400 E HN -0.014 nan 8.360 nan 0.000 0.399 401 S N 3.050 118.764 115.700 0.023 0.000 2.592 401 S HA 0.313 4.783 4.470 -0.000 0.000 0.271 401 S C -1.793 172.849 174.600 0.070 0.000 1.326 401 S CA -1.022 57.195 58.200 0.028 0.000 1.024 401 S CB 1.344 64.557 63.200 0.021 0.000 0.921 401 S HN 0.334 nan 8.310 nan 0.000 0.527 402 P HA -0.099 nan 4.420 nan 0.000 0.216 402 P C 0.673 178.048 177.300 0.125 0.000 1.153 402 P CA 1.306 64.471 63.100 0.108 0.000 0.858 402 P CB -0.040 31.700 31.700 0.067 0.000 0.789 403 D N -1.060 119.384 120.400 0.073 0.000 2.084 403 D HA -0.112 4.528 4.640 -0.000 0.000 0.194 403 D C 2.268 178.603 176.300 0.058 0.000 0.990 403 D CA 1.742 55.773 54.000 0.052 0.000 0.826 403 D CB -1.164 39.654 40.800 0.029 0.000 0.971 403 D HN 0.081 nan 8.370 nan 0.000 0.453 404 G N -0.255 108.585 108.800 0.067 0.000 2.446 404 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 404 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 404 G C 1.539 176.489 174.900 0.083 0.000 1.168 404 G CA 0.635 45.775 45.100 0.065 0.000 0.771 404 G HN 0.299 nan 8.290 nan 0.000 0.551 405 F N 1.239 121.169 119.950 -0.034 0.000 2.146 405 F HA 0.075 4.602 4.527 -0.000 0.000 0.298 405 F C 2.679 178.455 175.800 -0.041 0.000 1.096 405 F CA 1.702 59.658 58.000 -0.074 0.000 1.275 405 F CB -0.175 38.744 39.000 -0.135 0.000 1.008 405 F HN 0.067 nan 8.300 nan 0.000 0.480 406 R N 0.256 120.741 120.500 -0.025 0.000 2.081 406 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 406 R C 2.393 178.615 176.300 -0.130 0.000 1.131 406 R CA 1.291 57.328 56.100 -0.105 0.000 0.960 406 R CB -0.652 29.657 30.300 0.015 0.000 0.856 406 R HN 0.381 nan 8.270 nan 0.000 0.436 407 A N -0.001 122.784 122.820 -0.059 0.000 1.902 407 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 407 A C 1.995 179.546 177.584 -0.055 0.000 1.181 407 A CA 1.398 53.407 52.037 -0.047 0.000 0.623 407 A CB -0.907 18.088 19.000 -0.008 0.000 0.818 407 A HN 0.591 nan 8.150 nan 0.000 0.443 408 Y N -0.044 120.148 120.300 -0.181 0.000 2.049 408 Y HA -0.268 4.282 4.550 -0.000 0.000 0.277 408 Y C 2.445 178.228 175.900 -0.196 0.000 1.143 408 Y CA 2.379 60.371 58.100 -0.180 0.000 1.115 408 Y CB -0.258 38.066 38.460 -0.227 0.000 0.975 408 Y HN 0.216 nan 8.280 nan 0.000 0.487 409 M N 0.255 119.741 119.600 -0.190 0.000 2.144 409 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 409 M C 2.415 178.650 176.300 -0.108 0.000 1.067 409 M CA 1.682 56.848 55.300 -0.223 0.000 1.095 409 M CB -1.999 30.304 32.600 -0.494 0.000 1.365 409 M HN 0.521 nan 8.290 nan 0.000 0.406 410 A N 0.160 122.894 122.820 -0.143 0.000 1.865 410 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 410 A C 2.097 179.617 177.584 -0.107 0.000 1.191 410 A CA 1.682 53.651 52.037 -0.114 0.000 0.623 410 A CB -0.553 18.378 19.000 -0.114 0.000 0.826 410 A HN 0.427 nan 8.150 nan 0.000 0.444 411 E N -1.050 119.066 120.200 -0.139 0.000 2.150 411 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 411 E C 1.690 178.187 176.600 -0.172 0.000 0.985 411 E CA 0.840 57.148 56.400 -0.154 0.000 0.814 411 E CB -0.522 29.071 29.700 -0.179 0.000 0.752 411 E HN 0.695 nan 8.360 nan 0.000 0.466 412 F N 1.829 121.562 119.950 -0.362 0.000 2.102 412 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 412 F C 2.230 177.930 175.800 -0.166 0.000 1.105 412 F CA 1.472 59.278 58.000 -0.324 0.000 1.239 412 F CB -0.400 38.379 39.000 -0.368 0.000 0.991 412 F HN 0.003 nan 8.300 nan 0.000 0.474 413 A N 0.500 123.276 122.820 -0.073 0.000 1.884 413 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 413 A C 2.142 179.619 177.584 -0.178 0.000 1.197 413 A CA 2.302 54.278 52.037 -0.101 0.000 0.637 413 A CB -1.413 17.576 19.000 -0.018 0.000 0.827 413 A HN 0.532 nan 8.150 nan 0.000 0.450 414 L N -1.483 119.651 121.223 -0.147 0.000 2.068 414 L HA -0.035 4.305 4.340 -0.000 0.000 0.204 414 L C 2.369 179.139 176.870 -0.167 0.000 1.076 414 L CA 1.800 56.567 54.840 -0.121 0.000 0.753 414 L CB -0.523 41.488 42.059 -0.080 0.000 0.910 414 L HN 0.287 nan 8.230 nan 0.000 0.439 415 M N -0.766 118.706 119.600 -0.215 0.000 2.108 415 M HA -0.223 4.257 4.480 -0.000 0.000 0.261 415 M C 2.358 178.493 176.300 -0.274 0.000 1.066 415 M CA 1.672 56.845 55.300 -0.212 0.000 1.107 415 M CB -1.362 31.116 32.600 -0.204 0.000 1.356 415 M HN 0.386 nan 8.290 nan 0.000 0.406 416 Q N 0.074 119.574 119.800 -0.499 0.000 2.119 416 Q HA 0.030 4.370 4.340 -0.000 0.000 0.201 416 Q C 2.030 177.868 176.000 -0.270 0.000 0.972 416 Q CA 2.043 57.528 55.803 -0.531 0.000 0.847 416 Q CB -0.370 27.685 28.738 -1.137 0.000 0.903 416 Q HN 0.460 nan 8.270 nan 0.000 0.433 417 A N 0.224 122.923 122.820 -0.202 0.000 1.883 417 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 417 A C 2.072 179.687 177.584 0.051 0.000 1.186 417 A CA 1.607 53.627 52.037 -0.028 0.000 0.624 417 A CB -0.881 18.116 19.000 -0.005 0.000 0.822 417 A HN 0.453 nan 8.150 nan 0.000 0.444 418 L N -1.171 120.039 121.223 -0.022 0.000 2.083 418 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 418 L C 2.812 179.671 176.870 -0.018 0.000 1.083 418 L CA 1.022 55.860 54.840 -0.004 0.000 0.752 418 L CB -0.536 41.496 42.059 -0.045 0.000 0.899 418 L HN 0.258 nan 8.230 nan 0.000 0.433 419 R N 0.049 120.506 120.500 -0.071 0.000 2.092 419 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 419 R C 2.113 178.342 176.300 -0.118 0.000 1.119 419 R CA 0.972 57.020 56.100 -0.085 0.000 0.970 419 R CB -0.990 29.253 30.300 -0.095 0.000 0.864 419 R HN 0.241 nan 8.270 nan 0.000 0.440 420 L N 0.016 121.146 121.223 -0.155 0.000 2.353 420 L HA -0.127 4.213 4.340 -0.000 0.000 0.220 420 L C 0.694 177.203 176.870 -0.602 0.000 1.133 420 L CA 1.637 56.279 54.840 -0.330 0.000 0.798 420 L CB -0.211 41.648 42.059 -0.332 0.000 0.922 420 L HN 0.093 nan 8.230 nan 0.000 0.445 421 Y N -1.230 119.002 120.300 -0.113 0.000 2.612 421 Y HA 0.458 5.007 4.550 -0.000 0.000 0.250 421 Y C 1.389 177.167 175.900 -0.202 0.000 1.175 421 Y CA -0.379 57.636 58.100 -0.143 0.000 1.205 421 Y CB -0.134 38.236 38.460 -0.151 0.000 1.201 421 Y HN 0.040 nan 8.280 nan 0.000 0.532 422 G N -0.482 108.258 108.800 -0.100 0.000 2.441 422 G HA2 0.006 3.966 3.960 -0.000 0.000 0.243 422 G HA3 0.006 3.966 3.960 -0.000 0.000 0.243 422 G C 0.493 175.318 174.900 -0.125 0.000 1.281 422 G CA -0.147 44.870 45.100 -0.137 0.000 0.854 422 G HN 0.366 nan 8.290 nan 0.000 0.560 423 H N 1.493 120.578 119.070 0.025 0.000 2.352 423 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 423 H C 2.328 177.662 175.328 0.011 0.000 1.097 423 H CA 1.878 57.941 56.048 0.025 0.000 1.311 423 H CB 0.053 29.832 29.762 0.029 0.000 1.377 423 H HN 0.759 nan 8.280 nan 0.000 0.504 424 D N 1.064 121.534 120.400 0.116 0.000 2.117 424 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 424 D C 2.178 178.495 176.300 0.029 0.000 0.987 424 D CA 0.989 55.027 54.000 0.063 0.000 0.829 424 D CB -0.799 40.027 40.800 0.043 0.000 0.961 424 D HN 0.188 nan 8.370 nan 0.000 0.460 425 V N 1.574 121.488 119.914 0.001 0.000 2.237 425 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 425 V C 2.907 178.988 176.094 -0.023 0.000 1.046 425 V CA 1.505 63.788 62.300 -0.028 0.000 1.007 425 V CB -0.604 31.179 31.823 -0.067 0.000 0.638 425 V HN 0.158 nan 8.190 nan 0.000 0.445 426 I N 0.309 120.867 120.570 -0.021 0.000 2.248 426 I HA -0.307 3.862 4.170 -0.000 0.000 0.248 426 I C 2.257 178.389 176.117 0.025 0.000 1.107 426 I CA 2.059 63.355 61.300 -0.006 0.000 1.373 426 I CB -0.477 37.537 38.000 0.023 0.000 1.055 426 I HN 0.368 nan 8.210 nan 0.000 0.418 427 D N 0.775 121.201 120.400 0.044 0.000 2.097 427 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 427 D C 2.430 178.753 176.300 0.037 0.000 0.984 427 D CA 1.988 56.015 54.000 0.046 0.000 0.826 427 D CB 0.039 40.870 40.800 0.053 0.000 0.973 427 D HN 0.246 nan 8.370 nan 0.000 0.460 428 K N 0.043 120.461 120.400 0.030 0.000 2.031 428 K HA 0.010 4.330 4.320 -0.000 0.000 0.205 428 K C 2.186 178.815 176.600 0.048 0.000 1.049 428 K CA 1.277 57.585 56.287 0.035 0.000 0.939 428 K CB -1.189 31.323 32.500 0.021 0.000 0.717 428 K HN 0.095 nan 8.250 nan 0.000 0.438 429 V N 1.143 121.071 119.914 0.024 0.000 2.568 429 V HA -0.138 3.982 4.120 -0.000 0.000 0.253 429 V C 2.682 178.819 176.094 0.072 0.000 1.072 429 V CA 1.722 64.038 62.300 0.026 0.000 1.084 429 V CB -0.822 30.985 31.823 -0.026 0.000 0.676 429 V HN 0.698 nan 8.190 nan 0.000 0.469 430 G N -0.585 108.249 108.800 0.056 0.000 2.534 430 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 430 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 430 G C 1.699 176.641 174.900 0.069 0.000 1.128 430 G CA 0.076 45.211 45.100 0.058 0.000 0.784 430 G HN 0.442 nan 8.290 nan 0.000 0.542 431 R N -1.272 119.277 120.500 0.082 0.000 2.276 431 R HA 0.223 4.562 4.340 -0.000 0.000 0.196 431 R C 0.637 176.991 176.300 0.091 0.000 0.961 431 R CA -0.575 55.567 56.100 0.070 0.000 1.024 431 R CB -0.027 30.308 30.300 0.059 0.000 0.940 431 R HN 0.352 nan 8.270 nan 0.000 0.480 432 F N 0.000 119.945 119.950 -0.009 0.000 2.286 432 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 432 F CA 0.000 57.992 58.000 -0.013 0.000 1.383 432 F CB 0.000 38.985 39.000 -0.025 0.000 1.145 432 F HN 0.000 nan 8.300 nan 0.000 0.574