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 1nhv_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQXX DATA SEQUENCE XXXRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AAcRAAKLQD cTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP AASQLDLSGW DATA SEQUENCE FVAGYSGGDI YHSLSR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.565 174.600 -0.058 0.000 1.055 1 S CA 0.000 58.173 58.200 -0.045 0.000 1.107 1 S CB 0.000 63.165 63.200 -0.059 0.000 0.593 2 M N 3.184 122.741 119.600 -0.071 0.000 2.216 2 M HA 0.341 4.821 4.480 0.000 0.000 0.356 2 M C 1.817 177.996 176.300 -0.202 0.000 1.205 2 M CA -0.366 54.879 55.300 -0.092 0.000 1.122 2 M CB 0.918 33.489 32.600 -0.049 0.000 1.571 2 M HN 1.044 nan 8.290 nan 0.000 0.464 3 S N 2.594 118.100 115.700 -0.322 0.000 2.370 3 S HA -0.095 4.375 4.470 0.000 0.000 0.226 3 S C 0.098 174.233 174.600 -0.775 0.000 1.033 3 S CA 1.055 58.901 58.200 -0.591 0.000 1.011 3 S CB -0.285 62.456 63.200 -0.764 0.000 0.852 3 S HN 0.645 nan 8.310 nan 0.000 0.457 4 Y N 0.858 120.992 120.300 -0.278 0.000 2.534 4 Y HA 0.568 5.118 4.550 -0.000 0.000 0.345 4 Y C -0.234 175.396 175.900 -0.449 0.000 1.031 4 Y CA -0.984 56.834 58.100 -0.471 0.000 1.022 4 Y CB 2.100 40.114 38.460 -0.744 0.000 1.292 4 Y HN 0.099 nan 8.280 nan 0.000 0.459 5 T N -1.786 112.550 114.554 -0.363 0.000 2.890 5 T HA 0.570 4.920 4.350 0.000 0.000 0.295 5 T C -1.186 173.338 174.700 -0.295 0.000 0.993 5 T CA -0.756 61.222 62.100 -0.203 0.000 0.979 5 T CB 0.411 69.232 68.868 -0.078 0.000 0.967 5 T HN 0.540 nan 8.240 nan 0.000 0.441 6 W N 1.625 122.982 121.300 0.095 0.000 2.390 6 W HA 0.535 5.195 4.660 -0.000 0.000 0.362 6 W C 1.626 178.177 176.519 0.053 0.000 1.206 6 W CA -0.415 56.971 57.345 0.069 0.000 1.355 6 W CB 1.389 30.872 29.460 0.039 0.000 1.278 6 W HN 0.809 nan 8.180 nan 0.000 0.653 7 T N -3.483 111.266 114.554 0.325 0.000 2.971 7 T HA 0.367 4.717 4.350 0.000 0.000 0.252 7 T C 1.302 176.091 174.700 0.149 0.000 1.022 7 T CA 0.573 62.783 62.100 0.184 0.000 0.980 7 T CB 0.187 69.141 68.868 0.143 0.000 1.044 7 T HN 1.173 nan 8.240 nan 0.000 0.501 8 G N 1.463 110.362 108.800 0.164 0.000 2.238 8 G HA2 0.032 3.992 3.960 0.000 0.000 0.217 8 G HA3 0.032 3.992 3.960 0.000 0.000 0.217 8 G C 0.387 175.313 174.900 0.043 0.000 0.996 8 G CA -0.175 44.971 45.100 0.076 0.000 0.632 8 G HN 1.140 nan 8.290 nan 0.000 0.503 9 A N 0.946 123.810 122.820 0.072 0.000 2.511 9 A HA 0.625 4.945 4.320 0.000 0.000 0.242 9 A C 0.784 178.378 177.584 0.017 0.000 1.069 9 A CA 0.234 52.300 52.037 0.048 0.000 0.763 9 A CB 0.151 19.192 19.000 0.068 0.000 1.001 9 A HN 0.911 nan 8.150 nan 0.000 0.498 10 L N 2.092 123.312 121.223 -0.006 0.000 2.436 10 L HA 0.238 4.578 4.340 0.000 0.000 0.265 10 L C 0.200 177.057 176.870 -0.022 0.000 1.168 10 L CA -0.204 54.613 54.840 -0.037 0.000 0.815 10 L CB 0.656 42.696 42.059 -0.031 0.000 1.109 10 L HN 0.559 nan 8.230 nan 0.000 0.462 11 I N 2.101 122.641 120.570 -0.050 0.000 2.311 11 I HA 0.036 4.206 4.170 0.000 0.000 0.297 11 I C 0.612 176.727 176.117 -0.003 0.000 1.131 11 I CA -0.236 61.054 61.300 -0.016 0.000 1.289 11 I CB 0.095 38.072 38.000 -0.038 0.000 1.446 11 I HN 0.669 nan 8.210 nan 0.000 0.524 12 T N 4.971 119.532 114.554 0.012 0.000 2.918 12 T HA 0.297 4.647 4.350 0.000 0.000 0.302 12 T C -2.155 172.561 174.700 0.026 0.000 1.045 12 T CA -1.505 60.604 62.100 0.016 0.000 1.114 12 T CB 0.886 69.764 68.868 0.017 0.000 0.965 12 T HN 0.312 nan 8.240 nan 0.000 0.540 13 P HA 0.210 nan 4.420 nan 0.000 0.275 13 P C 0.234 177.557 177.300 0.037 0.000 1.228 13 P CA -0.642 62.478 63.100 0.034 0.000 0.786 13 P CB 0.989 32.709 31.700 0.033 0.000 0.927 14 C N 2.018 121.344 119.300 0.044 0.000 2.618 14 C HA 0.511 4.971 4.460 0.000 0.000 0.264 14 C C 0.981 175.994 174.990 0.038 0.000 1.334 14 C CA 0.994 60.038 59.018 0.044 0.000 1.731 14 C CB -1.558 26.216 27.740 0.056 0.000 1.852 14 C HN 0.758 nan 8.230 nan 0.000 0.566 15 A N -1.036 121.807 122.820 0.039 0.000 2.483 15 A HA 0.657 4.977 4.320 0.000 0.000 0.294 15 A C -0.776 176.835 177.584 0.045 0.000 1.077 15 A CA 0.111 52.171 52.037 0.040 0.000 0.633 15 A CB -0.447 18.578 19.000 0.043 0.000 1.318 15 A HN 0.797 nan 8.150 nan 0.000 0.455 16 A N -0.005 122.844 122.820 0.048 0.000 2.531 16 A HA 0.510 4.831 4.320 0.000 0.000 0.236 16 A C 0.024 177.649 177.584 0.069 0.000 1.062 16 A CA 0.672 52.742 52.037 0.054 0.000 0.760 16 A CB -0.326 18.706 19.000 0.053 0.000 0.995 16 A HN 0.599 nan 8.150 nan 0.000 0.501 17 E N 1.361 121.607 120.200 0.076 0.000 2.234 17 E HA 0.351 4.701 4.350 0.000 0.000 0.266 17 E C -1.058 175.621 176.600 0.132 0.000 0.877 17 E CA -0.493 55.965 56.400 0.097 0.000 0.758 17 E CB 1.925 31.670 29.700 0.075 0.000 1.170 17 E HN 0.754 nan 8.360 nan 0.000 0.415 18 E N 0.986 121.309 120.200 0.204 0.000 2.191 18 E HA 0.200 4.550 4.350 0.000 0.000 0.278 18 E C 0.073 176.899 176.600 0.377 0.000 0.972 18 E CA -0.196 56.373 56.400 0.282 0.000 0.804 18 E CB 1.552 31.459 29.700 0.346 0.000 1.110 18 E HN 0.569 nan 8.360 nan 0.000 0.394 19 S N 1.994 117.894 115.700 0.333 0.000 2.575 19 S HA 0.015 4.485 4.470 0.000 0.000 0.230 19 S C 0.468 175.328 174.600 0.435 0.000 1.062 19 S CA -0.361 58.042 58.200 0.337 0.000 0.913 19 S CB 0.095 63.435 63.200 0.234 0.000 0.837 19 S HN 0.408 nan 8.310 nan 0.000 0.487 20 K N 2.110 122.706 120.400 0.327 0.000 2.201 20 K HA 0.478 4.798 4.320 0.000 0.000 0.278 20 K C -0.476 176.206 176.600 0.137 0.000 1.027 20 K CA -0.839 55.599 56.287 0.251 0.000 0.909 20 K CB 1.370 33.953 32.500 0.138 0.000 1.062 20 K HN 0.212 nan 8.250 nan 0.000 0.465 21 L N 4.039 125.356 121.223 0.157 0.000 2.640 21 L HA 0.010 4.350 4.340 0.000 0.000 0.280 21 L C -2.415 174.244 176.870 -0.352 0.000 1.229 21 L CA -0.406 54.349 54.840 -0.142 0.000 0.919 21 L CB -0.196 41.894 42.059 0.052 0.000 1.168 21 L HN 0.544 nan 8.230 nan 0.000 0.496 22 P HA 0.258 nan 4.420 nan 0.000 0.281 22 P C -0.914 176.172 177.300 -0.357 0.000 1.252 22 P CA -0.150 62.675 63.100 -0.457 0.000 0.778 22 P CB 0.728 32.088 31.700 -0.567 0.000 0.895 23 I N 3.713 124.128 120.570 -0.257 0.000 2.460 23 I HA 0.409 4.579 4.170 0.000 0.000 0.298 23 I C 0.596 176.606 176.117 -0.177 0.000 0.989 23 I CA -0.428 60.719 61.300 -0.256 0.000 1.173 23 I CB 1.434 39.297 38.000 -0.228 0.000 1.338 23 I HN 0.504 nan 8.210 nan 0.000 0.456 24 N N 3.847 122.451 118.700 -0.160 0.000 3.387 24 N HA 0.398 5.139 4.740 0.000 0.000 0.322 24 N C 0.304 175.765 175.510 -0.081 0.000 1.588 24 N CA -0.335 52.648 53.050 -0.111 0.000 0.778 24 N CB 0.740 39.156 38.487 -0.119 0.000 1.883 24 N HN 0.375 nan 8.380 nan 0.000 0.628 25 A N -0.085 122.698 122.820 -0.061 0.000 1.969 25 A HA 0.091 4.411 4.320 0.000 0.000 0.218 25 A C 2.054 179.615 177.584 -0.038 0.000 1.169 25 A CA 1.052 53.064 52.037 -0.043 0.000 0.635 25 A CB -0.912 18.066 19.000 -0.037 0.000 0.810 25 A HN 0.521 nan 8.150 nan 0.000 0.445 26 L N -0.688 120.506 121.223 -0.047 0.000 2.341 26 L HA -0.072 4.268 4.340 0.000 0.000 0.214 26 L C 2.664 179.539 176.870 0.007 0.000 1.115 26 L CA 0.654 55.484 54.840 -0.018 0.000 0.820 26 L CB -0.303 41.730 42.059 -0.043 0.000 0.944 26 L HN 0.312 nan 8.230 nan 0.000 0.452 27 S N 0.666 116.333 115.700 -0.055 0.000 2.404 27 S HA -0.247 4.224 4.470 0.000 0.000 0.230 27 S C 1.639 176.217 174.600 -0.036 0.000 1.046 27 S CA 1.906 60.050 58.200 -0.094 0.000 1.135 27 S CB -0.513 62.551 63.200 -0.226 0.000 1.056 27 S HN 0.493 nan 8.310 nan 0.000 0.426 28 N N 1.548 120.256 118.700 0.013 0.000 2.417 28 N HA -0.087 4.654 4.740 0.000 0.000 0.187 28 N C 1.692 177.210 175.510 0.014 0.000 1.027 28 N CA 1.239 54.332 53.050 0.072 0.000 0.891 28 N CB -0.519 38.018 38.487 0.083 0.000 0.956 28 N HN 0.634 nan 8.380 nan 0.000 0.442 29 S N -0.604 115.092 115.700 -0.006 0.000 2.561 29 S HA 0.020 4.491 4.470 0.000 0.000 0.225 29 S C 1.661 176.227 174.600 -0.056 0.000 0.977 29 S CA 0.174 58.346 58.200 -0.046 0.000 0.926 29 S CB 0.068 63.277 63.200 0.016 0.000 0.769 29 S HN 0.269 nan 8.310 nan 0.000 0.533 30 L N -0.640 120.557 121.223 -0.043 0.000 2.588 30 L HA 0.625 4.965 4.340 0.000 0.000 0.194 30 L C -0.169 176.739 176.870 0.062 0.000 1.070 30 L CA 0.302 55.129 54.840 -0.022 0.000 0.852 30 L CB 0.630 42.436 42.059 -0.422 0.000 1.199 30 L HN 0.405 nan 8.230 nan 0.000 0.486 31 L N -0.350 120.898 121.223 0.040 0.000 2.470 31 L HA 0.427 4.767 4.340 0.000 0.000 0.268 31 L C 0.201 177.174 176.870 0.171 0.000 0.964 31 L CA -0.446 54.439 54.840 0.075 0.000 0.839 31 L CB 1.819 43.926 42.059 0.080 0.000 1.276 31 L HN 0.067 nan 8.230 nan 0.000 0.403 32 R N 1.274 121.823 120.500 0.082 0.000 2.206 32 R HA 0.165 4.505 4.340 0.000 0.000 0.198 32 R C 0.038 176.349 176.300 0.018 0.000 0.986 32 R CA 0.225 56.371 56.100 0.076 0.000 1.029 32 R CB 0.181 30.490 30.300 0.016 0.000 0.966 32 R HN 0.616 nan 8.270 nan 0.000 0.487 33 H N 0.699 119.772 119.070 0.006 0.000 2.923 33 H HA 0.101 4.657 4.556 0.000 0.000 0.251 33 H C 0.393 175.784 175.328 0.105 0.000 1.741 33 H CA -0.351 55.685 56.048 -0.020 0.000 1.387 33 H CB 0.091 29.866 29.762 0.023 0.000 1.740 33 H HN 0.370 nan 8.280 nan 0.000 0.544 34 H N 0.748 119.910 119.070 0.153 0.000 2.387 34 H HA -0.130 4.427 4.556 0.000 0.000 0.299 34 H C 1.411 176.815 175.328 0.126 0.000 1.099 34 H CA 0.323 56.438 56.048 0.113 0.000 1.315 34 H CB 0.307 30.110 29.762 0.068 0.000 1.380 34 H HN 0.475 nan 8.280 nan 0.000 0.513 35 N N 0.522 119.339 118.700 0.195 0.000 2.635 35 N HA -0.086 4.654 4.740 0.000 0.000 0.191 35 N C 1.116 176.720 175.510 0.157 0.000 1.155 35 N CA 0.940 54.074 53.050 0.140 0.000 0.927 35 N CB 0.032 38.554 38.487 0.058 0.000 0.976 35 N HN 0.531 nan 8.380 nan 0.000 0.448 36 M N -0.696 119.026 119.600 0.204 0.000 2.382 36 M HA 0.135 4.615 4.480 0.000 0.000 0.247 36 M C -0.151 176.327 176.300 0.297 0.000 1.104 36 M CA 0.167 55.597 55.300 0.216 0.000 1.030 36 M CB 1.081 33.803 32.600 0.203 0.000 1.424 36 M HN -0.267 nan 8.290 nan 0.000 0.486 37 V N 1.311 121.411 119.914 0.311 0.000 2.435 37 V HA 0.407 4.527 4.120 0.000 0.000 0.290 37 V C -0.929 175.425 176.094 0.434 0.000 1.030 37 V CA -0.719 61.782 62.300 0.333 0.000 0.881 37 V CB 0.966 32.954 31.823 0.274 0.000 0.983 37 V HN 0.319 nan 8.190 nan 0.000 0.445 38 Y N 2.408 122.844 120.300 0.227 0.000 2.597 38 Y HA 0.909 5.459 4.550 0.000 0.000 0.340 38 Y C -0.524 175.425 175.900 0.081 0.000 1.097 38 Y CA -1.717 56.518 58.100 0.225 0.000 1.037 38 Y CB 1.547 40.108 38.460 0.168 0.000 1.305 38 Y HN 0.699 nan 8.280 nan 0.000 0.463 39 A N 1.765 124.524 122.820 -0.102 0.000 2.331 39 A HA 0.638 4.959 4.320 0.000 0.000 0.320 39 A C -0.107 177.423 177.584 -0.090 0.000 1.138 39 A CA -0.410 51.362 52.037 -0.441 0.000 0.790 39 A CB 0.263 18.736 19.000 -0.878 0.000 1.206 39 A HN 1.120 nan 8.150 nan 0.000 0.470 40 T N 0.255 114.765 114.554 -0.072 0.000 2.916 40 T HA 0.474 4.824 4.350 0.000 0.000 0.303 40 T C 0.324 175.053 174.700 0.048 0.000 1.025 40 T CA 0.327 62.491 62.100 0.108 0.000 1.142 40 T CB 0.873 69.842 68.868 0.168 0.000 0.947 40 T HN 0.835 nan 8.240 nan 0.000 0.544 41 T N 0.327 114.930 114.554 0.082 0.000 2.888 41 T HA 0.459 4.810 4.350 0.000 0.000 0.288 41 T C 1.444 176.171 174.700 0.046 0.000 1.063 41 T CA -0.166 61.968 62.100 0.057 0.000 1.010 41 T CB 1.246 70.157 68.868 0.072 0.000 1.214 41 T HN 0.834 nan 8.240 nan 0.000 0.533 42 S N 1.106 116.827 115.700 0.035 0.000 2.595 42 S HA -0.001 4.470 4.470 0.000 0.000 0.235 42 S C 1.686 176.291 174.600 0.008 0.000 0.974 42 S CA 0.294 58.505 58.200 0.019 0.000 0.942 42 S CB -0.344 62.868 63.200 0.019 0.000 0.766 42 S HN 0.638 nan 8.310 nan 0.000 0.536 43 R N 1.433 121.946 120.500 0.022 0.000 2.189 43 R HA 0.002 4.343 4.340 0.000 0.000 0.223 43 R C 2.124 178.425 176.300 0.003 0.000 1.092 43 R CA 1.394 57.503 56.100 0.014 0.000 0.989 43 R CB -0.358 29.961 30.300 0.030 0.000 0.876 43 R HN 0.723 nan 8.270 nan 0.000 0.457 44 S N -0.818 114.889 115.700 0.012 0.000 2.540 44 S HA 0.192 4.662 4.470 0.000 0.000 0.218 44 S C 1.909 176.493 174.600 -0.027 0.000 0.977 44 S CA 0.267 58.468 58.200 0.001 0.000 0.918 44 S CB 0.728 63.948 63.200 0.033 0.000 0.806 44 S HN 0.230 nan 8.310 nan 0.000 0.496 45 A N 2.236 125.032 122.820 -0.040 0.000 1.927 45 A HA 0.037 4.357 4.320 0.000 0.000 0.220 45 A C 2.318 179.807 177.584 -0.159 0.000 1.185 45 A CA 1.869 53.856 52.037 -0.082 0.000 0.639 45 A CB -1.816 17.134 19.000 -0.083 0.000 0.820 45 A HN 0.697 nan 8.150 nan 0.000 0.451 46 G N -0.729 107.973 108.800 -0.164 0.000 2.450 46 G HA2 -0.183 3.778 3.960 0.000 0.000 0.220 46 G HA3 -0.183 3.778 3.960 0.000 0.000 0.220 46 G C 1.564 176.360 174.900 -0.174 0.000 1.130 46 G CA 0.974 45.943 45.100 -0.219 0.000 0.760 46 G HN 0.468 nan 8.290 nan 0.000 0.557 47 L N -0.269 120.893 121.223 -0.103 0.000 2.056 47 L HA 0.015 4.355 4.340 0.000 0.000 0.207 47 L C 2.969 179.807 176.870 -0.053 0.000 1.078 47 L CA 1.348 56.150 54.840 -0.063 0.000 0.749 47 L CB -0.145 41.893 42.059 -0.034 0.000 0.901 47 L HN 0.216 nan 8.230 nan 0.000 0.433 48 R N 0.231 120.696 120.500 -0.058 0.000 2.081 48 R HA -0.198 4.142 4.340 0.000 0.000 0.235 48 R C 2.128 178.395 176.300 -0.055 0.000 1.131 48 R CA 1.724 57.806 56.100 -0.029 0.000 0.960 48 R CB -0.501 29.788 30.300 -0.019 0.000 0.856 48 R HN 0.442 nan 8.270 nan 0.000 0.436 49 Q N -0.274 119.410 119.800 -0.193 0.000 2.234 49 Q HA -0.162 4.178 4.340 0.000 0.000 0.206 49 Q C 1.746 177.708 176.000 -0.064 0.000 0.980 49 Q CA 1.603 57.227 55.803 -0.298 0.000 0.869 49 Q CB -0.037 28.138 28.738 -0.938 0.000 0.912 49 Q HN 0.124 nan 8.270 nan 0.000 0.436 50 K N 1.027 121.394 120.400 -0.055 0.000 2.001 50 K HA -0.061 4.260 4.320 0.000 0.000 0.208 50 K C 1.733 178.415 176.600 0.136 0.000 1.048 50 K CA 1.223 57.535 56.287 0.042 0.000 0.932 50 K CB 0.040 32.546 32.500 0.010 0.000 0.715 50 K HN -0.004 nan 8.250 nan 0.000 0.437 51 K N 0.257 120.728 120.400 0.118 0.000 2.280 51 K HA -0.068 4.253 4.320 0.000 0.000 0.202 51 K C 1.451 178.250 176.600 0.331 0.000 1.047 51 K CA 1.341 57.736 56.287 0.180 0.000 0.942 51 K CB 0.128 32.698 32.500 0.117 0.000 0.739 51 K HN 0.151 nan 8.250 nan 0.000 0.457 52 V N -2.746 117.352 119.914 0.306 0.000 3.621 52 V HA 0.114 4.235 4.120 0.000 0.000 0.285 52 V C 0.330 176.598 176.094 0.289 0.000 1.346 52 V CA -0.194 62.329 62.300 0.372 0.000 1.104 52 V CB 0.515 32.512 31.823 0.289 0.000 0.913 52 V HN -0.109 nan 8.190 nan 0.000 0.432 53 T N 4.614 119.383 114.554 0.358 0.000 2.762 53 T HA 0.719 5.069 4.350 0.000 0.000 0.303 53 T C -0.731 174.141 174.700 0.288 0.000 0.977 53 T CA 0.004 62.290 62.100 0.311 0.000 0.961 53 T CB 0.046 69.182 68.868 0.446 0.000 0.944 53 T HN 0.611 nan 8.240 nan 0.000 0.481 54 F N -0.095 119.955 119.950 0.167 0.000 2.741 54 F HA 0.685 5.213 4.527 0.001 0.000 0.313 54 F C -1.154 174.678 175.800 0.053 0.000 1.153 54 F CA -1.768 56.291 58.000 0.097 0.000 0.931 54 F CB 0.866 39.916 39.000 0.083 0.000 1.335 54 F HN 0.188 nan 8.300 nan 0.000 0.460 55 D N 0.320 120.907 120.400 0.311 0.000 2.210 55 D HA 0.561 5.201 4.640 0.000 0.000 0.249 55 D C -1.042 175.391 176.300 0.223 0.000 1.078 55 D CA -0.261 53.837 54.000 0.163 0.000 0.875 55 D CB 0.895 41.758 40.800 0.105 0.000 1.175 55 D HN 0.503 nan 8.370 nan 0.000 0.440 56 R N 2.576 123.148 120.500 0.121 0.000 2.295 56 R HA 0.536 4.876 4.340 0.000 0.000 0.324 56 R C -1.054 175.275 176.300 0.049 0.000 0.968 56 R CA -0.733 55.437 56.100 0.117 0.000 0.837 56 R CB 0.793 31.139 30.300 0.076 0.000 1.133 56 R HN 0.318 nan 8.270 nan 0.000 0.450 57 L N 2.040 123.287 121.223 0.040 0.000 2.325 57 L HA 0.457 4.797 4.340 0.000 0.000 0.278 57 L C -0.457 176.409 176.870 -0.007 0.000 1.023 57 L CA -0.081 54.763 54.840 0.007 0.000 0.811 57 L CB 1.731 43.791 42.059 0.002 0.000 1.249 57 L HN 0.531 nan 8.230 nan 0.000 0.431 58 Q N 2.748 122.533 119.800 -0.025 0.000 2.303 58 Q HA 0.474 4.814 4.340 0.000 0.000 0.267 58 Q C -1.472 174.493 176.000 -0.059 0.000 1.011 58 Q CA -0.500 55.280 55.803 -0.038 0.000 0.740 58 Q CB 2.571 31.278 28.738 -0.051 0.000 1.250 58 Q HN 0.327 nan 8.270 nan 0.000 0.458 59 V N 5.167 125.044 119.914 -0.062 0.000 2.294 59 V HA 0.324 4.444 4.120 0.000 0.000 0.272 59 V C -0.278 175.790 176.094 -0.042 0.000 1.027 59 V CA -0.380 61.880 62.300 -0.066 0.000 0.823 59 V CB 0.806 32.583 31.823 -0.077 0.000 1.030 59 V HN 0.631 nan 8.190 nan 0.000 0.457 60 L N 5.820 127.000 121.223 -0.073 0.000 2.257 60 L HA 0.497 4.838 4.340 0.000 0.000 0.290 60 L C 0.131 177.009 176.870 0.014 0.000 1.044 60 L CA -0.640 54.141 54.840 -0.098 0.000 0.810 60 L CB 1.229 43.011 42.059 -0.463 0.000 1.193 60 L HN 0.655 nan 8.230 nan 0.000 0.425 61 D N 0.673 121.174 120.400 0.169 0.000 2.478 61 D HA 0.083 4.723 4.640 0.000 0.000 0.263 61 D C 0.466 176.838 176.300 0.121 0.000 1.153 61 D CA -0.655 53.413 54.000 0.114 0.000 1.038 61 D CB 0.868 41.737 40.800 0.115 0.000 1.120 61 D HN 0.279 nan 8.370 nan 0.000 0.564 62 D N -1.216 119.192 120.400 0.014 0.000 2.149 62 D HA -0.174 4.466 4.640 0.000 0.000 0.198 62 D C 1.736 178.058 176.300 0.036 0.000 0.990 62 D CA 1.139 55.132 54.000 -0.011 0.000 0.839 62 D CB -0.131 40.609 40.800 -0.100 0.000 0.948 62 D HN 0.423 nan 8.370 nan 0.000 0.460 63 H N -0.268 118.861 119.070 0.100 0.000 2.319 63 H HA -0.173 4.383 4.556 0.000 0.000 0.299 63 H C 2.033 177.383 175.328 0.038 0.000 1.092 63 H CA 1.115 57.206 56.048 0.071 0.000 1.302 63 H CB -0.805 29.016 29.762 0.099 0.000 1.373 63 H HN 0.317 nan 8.280 nan 0.000 0.497 64 Y N 1.930 122.265 120.300 0.059 0.000 2.053 64 Y HA -0.268 4.282 4.550 -0.000 0.000 0.277 64 Y C 2.698 178.550 175.900 -0.081 0.000 1.159 64 Y CA 1.874 59.888 58.100 -0.144 0.000 1.125 64 Y CB -0.222 38.114 38.460 -0.207 0.000 0.969 64 Y HN -0.025 nan 8.280 nan 0.000 0.492 65 R N 0.095 120.754 120.500 0.265 0.000 2.152 65 R HA -0.163 4.178 4.340 0.000 0.000 0.232 65 R C 1.846 178.155 176.300 0.016 0.000 1.117 65 R CA 1.269 57.454 56.100 0.142 0.000 0.981 65 R CB -0.343 30.045 30.300 0.147 0.000 0.870 65 R HN 0.454 nan 8.270 nan 0.000 0.451 66 D N 0.117 120.532 120.400 0.026 0.000 2.084 66 D HA -0.117 4.523 4.640 0.000 0.000 0.194 66 D C 1.949 178.233 176.300 -0.027 0.000 0.990 66 D CA 1.174 55.184 54.000 0.017 0.000 0.826 66 D CB -0.079 40.761 40.800 0.068 0.000 0.971 66 D HN -0.028 nan 8.370 nan 0.000 0.453 67 V N 1.336 121.204 119.914 -0.076 0.000 2.407 67 V HA -0.215 3.905 4.120 0.000 0.000 0.248 67 V C 2.508 178.525 176.094 -0.127 0.000 1.055 67 V CA 0.972 63.206 62.300 -0.111 0.000 1.049 67 V CB -0.430 31.275 31.823 -0.197 0.000 0.662 67 V HN 0.149 nan 8.190 nan 0.000 0.455 68 L N 0.593 121.691 121.223 -0.208 0.000 2.042 68 L HA -0.192 4.148 4.340 0.000 0.000 0.210 68 L C 2.407 179.230 176.870 -0.078 0.000 1.076 68 L CA 2.259 56.990 54.840 -0.181 0.000 0.749 68 L CB -0.848 41.083 42.059 -0.214 0.000 0.893 68 L HN 0.285 nan 8.230 nan 0.000 0.432 69 K N -0.546 119.825 120.400 -0.047 0.000 2.063 69 K HA -0.219 4.101 4.320 0.000 0.000 0.208 69 K C 1.957 178.549 176.600 -0.014 0.000 1.048 69 K CA 1.877 58.153 56.287 -0.020 0.000 0.928 69 K CB -0.125 32.371 32.500 -0.006 0.000 0.713 69 K HN 0.502 nan 8.250 nan 0.000 0.442 70 E N 0.251 120.444 120.200 -0.012 0.000 2.038 70 E HA -0.222 4.129 4.350 0.000 0.000 0.195 70 E C 2.125 178.726 176.600 0.002 0.000 1.000 70 E CA 1.916 58.318 56.400 0.002 0.000 0.803 70 E CB -0.118 29.591 29.700 0.015 0.000 0.750 70 E HN 0.340 nan 8.360 nan 0.000 0.448 71 M N 0.641 120.241 119.600 0.001 0.000 2.108 71 M HA -0.221 4.260 4.480 0.000 0.000 0.261 71 M C 2.194 178.480 176.300 -0.025 0.000 1.066 71 M CA 1.575 56.871 55.300 -0.007 0.000 1.107 71 M CB -0.278 32.320 32.600 -0.003 0.000 1.356 71 M HN -0.027 nan 8.290 nan 0.000 0.406 72 K N 0.303 120.688 120.400 -0.025 0.000 2.097 72 K HA -0.112 4.208 4.320 0.000 0.000 0.206 72 K C 2.155 178.749 176.600 -0.010 0.000 1.049 72 K CA 1.409 57.685 56.287 -0.019 0.000 0.933 72 K CB -0.323 32.167 32.500 -0.017 0.000 0.717 72 K HN 0.323 nan 8.250 nan 0.000 0.442 73 A N 2.158 124.973 122.820 -0.008 0.000 1.865 73 A HA -0.243 4.077 4.320 0.000 0.000 0.217 73 A C 1.939 179.520 177.584 -0.006 0.000 1.191 73 A CA 1.769 53.804 52.037 -0.003 0.000 0.623 73 A CB -0.372 18.628 19.000 -0.000 0.000 0.826 73 A HN 0.215 nan 8.150 nan 0.000 0.444 74 K N -0.450 119.942 120.400 -0.013 0.000 2.057 74 K HA -0.039 4.281 4.320 0.000 0.000 0.207 74 K C 2.314 178.899 176.600 -0.025 0.000 1.049 74 K CA 1.067 57.341 56.287 -0.021 0.000 0.931 74 K CB -0.372 32.108 32.500 -0.034 0.000 0.714 74 K HN 0.440 nan 8.250 nan 0.000 0.440 75 A N 1.352 124.157 122.820 -0.025 0.000 1.940 75 A HA -0.168 4.152 4.320 0.000 0.000 0.219 75 A C 2.127 179.711 177.584 -0.001 0.000 1.176 75 A CA 1.799 53.827 52.037 -0.015 0.000 0.631 75 A CB -0.571 18.427 19.000 -0.003 0.000 0.814 75 A HN 0.186 nan 8.150 nan 0.000 0.446 76 S N -0.506 115.194 115.700 0.001 0.000 2.493 76 S HA -0.109 4.361 4.470 0.000 0.000 0.243 76 S C 1.866 176.469 174.600 0.005 0.000 0.991 76 S CA 1.629 59.833 58.200 0.007 0.000 0.957 76 S CB -0.495 62.708 63.200 0.006 0.000 0.756 76 S HN 0.923 nan 8.310 nan 0.000 0.521 77 T N -1.558 112.995 114.554 -0.001 0.000 3.060 77 T HA 0.235 4.585 4.350 0.000 0.000 0.249 77 T C 0.505 175.204 174.700 -0.003 0.000 1.079 77 T CA -0.167 61.932 62.100 -0.002 0.000 1.013 77 T CB -0.155 68.710 68.868 -0.006 0.000 0.975 77 T HN 0.006 nan 8.240 nan 0.000 0.518 78 V N 2.025 121.936 119.914 -0.004 0.000 2.614 78 V HA 0.372 4.493 4.120 0.000 0.000 0.291 78 V C 0.122 176.218 176.094 0.004 0.000 1.049 78 V CA -0.501 61.795 62.300 -0.006 0.000 1.038 78 V CB 1.139 32.954 31.823 -0.012 0.000 0.980 78 V HN 0.417 nan 8.190 nan 0.000 0.481 79 K N 3.744 124.146 120.400 0.004 0.000 2.507 79 K HA 0.704 5.024 4.320 0.000 0.000 0.253 79 K C -0.594 176.012 176.600 0.010 0.000 0.969 79 K CA -0.359 55.935 56.287 0.011 0.000 0.908 79 K CB 1.257 33.764 32.500 0.012 0.000 1.127 79 K HN 0.827 nan 8.250 nan 0.000 0.437 80 A N 3.967 126.795 122.820 0.014 0.000 2.325 80 A HA 0.566 4.886 4.320 0.000 0.000 0.333 80 A C -0.789 176.811 177.584 0.026 0.000 1.155 80 A CA -0.784 51.261 52.037 0.014 0.000 0.814 80 A CB 0.890 19.892 19.000 0.004 0.000 1.206 80 A HN 0.560 nan 8.150 nan 0.000 0.482 81 K N 0.521 120.939 120.400 0.031 0.000 2.095 81 K HA 0.422 4.742 4.320 0.000 0.000 0.252 81 K C -1.105 175.515 176.600 0.033 0.000 0.977 81 K CA -0.753 55.552 56.287 0.031 0.000 0.900 81 K CB 1.660 34.176 32.500 0.027 0.000 1.060 81 K HN 0.537 nan 8.250 nan 0.000 0.449 82 L N 3.938 125.174 121.223 0.021 0.000 2.259 82 L HA 0.233 4.573 4.340 0.000 0.000 0.288 82 L C -0.805 176.030 176.870 -0.060 0.000 1.051 82 L CA -0.518 54.324 54.840 0.003 0.000 0.824 82 L CB 0.038 42.117 42.059 0.034 0.000 1.206 82 L HN 0.377 nan 8.230 nan 0.000 0.429 83 L N 3.597 124.767 121.223 -0.090 0.000 2.499 83 L HA 0.196 4.536 4.340 0.000 0.000 0.281 83 L C 0.678 177.412 176.870 -0.226 0.000 1.234 83 L CA 0.739 55.495 54.840 -0.140 0.000 0.839 83 L CB 0.630 42.595 42.059 -0.156 0.000 1.104 83 L HN 0.853 nan 8.230 nan 0.000 0.500 84 S N 0.750 116.332 115.700 -0.196 0.000 2.480 84 S HA 0.384 4.854 4.470 0.000 0.000 0.286 84 S C 1.314 175.759 174.600 -0.258 0.000 1.180 84 S CA -0.825 57.245 58.200 -0.215 0.000 1.075 84 S CB 1.262 64.384 63.200 -0.131 0.000 0.996 84 S HN 0.375 nan 8.310 nan 0.000 0.487 85 V N 2.864 122.567 119.914 -0.351 0.000 2.277 85 V HA -0.408 3.712 4.120 0.000 0.000 0.256 85 V C 2.956 178.903 176.094 -0.245 0.000 1.069 85 V CA 2.647 64.726 62.300 -0.369 0.000 1.096 85 V CB -1.459 30.071 31.823 -0.489 0.000 0.741 85 V HN 1.028 nan 8.190 nan 0.000 0.470 86 E N 0.363 120.456 120.200 -0.179 0.000 2.114 86 E HA -0.318 4.032 4.350 0.000 0.000 0.199 86 E C 1.952 178.467 176.600 -0.142 0.000 1.008 86 E CA 2.116 58.435 56.400 -0.133 0.000 0.810 86 E CB -0.606 29.038 29.700 -0.093 0.000 0.739 86 E HN 0.821 nan 8.360 nan 0.000 0.456 87 E N 1.294 121.399 120.200 -0.158 0.000 2.031 87 E HA -0.137 4.214 4.350 0.000 0.000 0.193 87 E C 2.245 178.709 176.600 -0.228 0.000 0.994 87 E CA 1.223 57.518 56.400 -0.176 0.000 0.800 87 E CB -0.258 29.339 29.700 -0.172 0.000 0.752 87 E HN 0.374 nan 8.360 nan 0.000 0.447 88 A N 1.150 123.823 122.820 -0.244 0.000 1.884 88 A HA -0.289 4.031 4.320 0.000 0.000 0.219 88 A C 2.517 179.980 177.584 -0.202 0.000 1.197 88 A CA 1.816 53.703 52.037 -0.251 0.000 0.637 88 A CB -1.230 17.634 19.000 -0.227 0.000 0.827 88 A HN 0.426 nan 8.150 nan 0.000 0.450 89 C N -0.464 118.738 119.300 -0.164 0.000 2.388 89 C HA -0.116 4.344 4.460 0.000 0.000 0.277 89 C C 2.434 177.350 174.990 -0.124 0.000 1.210 89 C CA 1.277 60.221 59.018 -0.123 0.000 1.743 89 C CB -1.012 26.661 27.740 -0.113 0.000 2.047 89 C HN 0.503 nan 8.230 nan 0.000 0.458 90 K N 0.704 121.028 120.400 -0.126 0.000 2.589 90 K HA 0.041 4.362 4.320 0.000 0.000 0.195 90 K C 1.160 177.693 176.600 -0.111 0.000 1.040 90 K CA 0.812 57.038 56.287 -0.101 0.000 0.950 90 K CB -0.381 32.068 32.500 -0.086 0.000 0.781 90 K HN 0.607 nan 8.250 nan 0.000 0.486 91 L N -0.064 121.051 121.223 -0.180 0.000 2.766 91 L HA 0.077 4.417 4.340 0.000 0.000 0.242 91 L C 0.168 176.933 176.870 -0.175 0.000 1.136 91 L CA -0.027 54.671 54.840 -0.237 0.000 0.933 91 L CB 0.635 42.407 42.059 -0.477 0.000 1.241 91 L HN -0.162 nan 8.230 nan 0.000 0.522 92 T N 1.455 115.928 114.554 -0.135 0.000 2.817 92 T HA 0.266 4.616 4.350 0.000 0.000 0.293 92 T C -2.371 172.221 174.700 -0.180 0.000 0.964 92 T CA -1.217 60.810 62.100 -0.121 0.000 1.085 92 T CB 1.278 70.092 68.868 -0.090 0.000 0.921 92 T HN -0.176 nan 8.240 nan 0.000 0.502 93 P HA 0.084 nan 4.420 nan 0.000 0.265 93 P C -1.891 175.179 177.300 -0.384 0.000 1.187 93 P CA -1.089 61.828 63.100 -0.306 0.000 0.766 93 P CB 0.166 31.799 31.700 -0.111 0.000 0.820 94 P HA -0.137 nan 4.420 nan 0.000 0.218 94 P C 0.259 177.386 177.300 -0.288 0.000 1.148 94 P CA 1.645 64.522 63.100 -0.371 0.000 0.822 94 P CB -0.013 31.505 31.700 -0.304 0.000 0.784 95 H N -2.376 116.583 119.070 -0.185 0.000 2.467 95 H HA 0.286 4.842 4.556 0.000 0.000 0.275 95 H C 0.067 175.333 175.328 -0.103 0.000 1.131 95 H CA -0.375 55.607 56.048 -0.111 0.000 0.989 95 H CB -0.256 29.459 29.762 -0.078 0.000 1.696 95 H HN -0.080 nan 8.280 nan 0.000 0.574 96 S N 1.264 116.924 115.700 -0.067 0.000 2.510 96 S HA 0.412 4.883 4.470 0.000 0.000 0.279 96 S C 0.775 175.341 174.600 -0.057 0.000 1.284 96 S CA -0.440 57.720 58.200 -0.067 0.000 1.059 96 S CB 0.029 63.187 63.200 -0.071 0.000 0.901 96 S HN 0.569 nan 8.310 nan 0.000 0.491 97 A N 4.970 127.753 122.820 -0.062 0.000 2.622 97 A HA 0.055 4.376 4.320 0.000 0.000 0.236 97 A C 0.611 178.184 177.584 -0.018 0.000 1.003 97 A CA 0.666 52.689 52.037 -0.024 0.000 0.781 97 A CB -0.338 18.677 19.000 0.024 0.000 0.902 97 A HN 0.946 nan 8.150 nan 0.000 0.496 98 K N 2.394 122.768 120.400 -0.043 0.000 2.237 98 K HA 0.453 4.773 4.320 0.000 0.000 0.270 98 K C 0.399 176.897 176.600 -0.169 0.000 1.015 98 K CA 0.127 56.354 56.287 -0.101 0.000 0.949 98 K CB 0.801 33.242 32.500 -0.098 0.000 0.976 98 K HN 0.530 nan 8.250 nan 0.000 0.472 99 S N 0.838 116.327 115.700 -0.352 0.000 2.589 99 S HA 0.030 4.500 4.470 0.000 0.000 0.265 99 S C 0.510 174.812 174.600 -0.497 0.000 1.342 99 S CA -0.404 57.492 58.200 -0.507 0.000 1.005 99 S CB 0.485 63.041 63.200 -1.073 0.000 0.909 99 S HN 0.715 nan 8.310 nan 0.000 0.555 100 K N 1.423 121.412 120.400 -0.686 0.000 2.487 100 K HA 0.092 4.412 4.320 0.000 0.000 0.192 100 K C -0.412 175.721 176.600 -0.779 0.000 1.027 100 K CA 0.481 56.340 56.287 -0.714 0.000 1.054 100 K CB -0.023 31.963 32.500 -0.857 0.000 0.824 100 K HN 0.544 nan 8.250 nan 0.000 0.510 101 F N 0.418 120.170 119.950 -0.330 0.000 2.925 101 F HA 0.281 4.808 4.527 0.000 0.000 0.302 101 F C 1.150 176.820 175.800 -0.216 0.000 1.189 101 F CA -0.887 56.931 58.000 -0.303 0.000 1.346 101 F CB 0.426 39.127 39.000 -0.498 0.000 0.954 101 F HN 0.082 nan 8.300 nan 0.000 0.506 102 G N 0.551 109.301 108.800 -0.082 0.000 2.155 102 G HA2 -0.322 3.639 3.960 0.000 0.000 0.257 102 G HA3 -0.322 3.639 3.960 0.000 0.000 0.257 102 G C -0.249 174.693 174.900 0.069 0.000 0.983 102 G CA 0.533 45.633 45.100 0.000 0.000 0.676 102 G HN 0.588 nan 8.290 nan 0.000 0.528 103 Y N -1.827 118.463 120.300 -0.017 0.000 2.504 103 Y HA 0.767 5.317 4.550 0.000 0.000 0.344 103 Y C 0.374 176.263 175.900 -0.018 0.000 1.023 103 Y CA -1.356 56.737 58.100 -0.012 0.000 1.020 103 Y CB 0.852 39.315 38.460 0.004 0.000 1.282 103 Y HN 0.507 nan 8.280 nan 0.000 0.454 104 G N 0.492 109.374 108.800 0.137 0.000 2.753 104 G HA2 0.519 4.479 3.960 0.000 0.000 0.285 104 G HA3 0.519 4.479 3.960 0.000 0.000 0.285 104 G C 0.356 175.310 174.900 0.090 0.000 1.344 104 G CA -0.775 44.350 45.100 0.041 0.000 1.050 104 G HN 1.149 nan 8.290 nan 0.000 0.532 105 A N -0.591 122.221 122.820 -0.013 0.000 1.969 105 A HA 0.018 4.338 4.320 0.000 0.000 0.218 105 A C 2.325 179.868 177.584 -0.069 0.000 1.169 105 A CA 1.579 53.591 52.037 -0.043 0.000 0.635 105 A CB -0.311 18.618 19.000 -0.119 0.000 0.810 105 A HN 0.439 nan 8.150 nan 0.000 0.445 106 K N 0.431 120.777 120.400 -0.089 0.000 2.026 106 K HA -0.155 4.165 4.320 0.000 0.000 0.208 106 K C 1.531 178.106 176.600 -0.042 0.000 1.048 106 K CA 1.503 57.738 56.287 -0.087 0.000 0.929 106 K CB -0.692 31.756 32.500 -0.088 0.000 0.713 106 K HN 0.550 nan 8.250 nan 0.000 0.439 107 D N 0.786 121.186 120.400 0.000 0.000 2.106 107 D HA -0.161 4.479 4.640 0.000 0.000 0.191 107 D C 2.086 178.373 176.300 -0.022 0.000 0.997 107 D CA 1.415 55.423 54.000 0.014 0.000 0.834 107 D CB -0.107 40.752 40.800 0.098 0.000 0.956 107 D HN -0.074 nan 8.370 nan 0.000 0.448 108 V N 1.321 121.240 119.914 0.009 0.000 2.237 108 V HA -0.250 3.870 4.120 0.000 0.000 0.245 108 V C 2.533 178.592 176.094 -0.058 0.000 1.046 108 V CA 1.676 63.959 62.300 -0.027 0.000 1.007 108 V CB -0.476 31.371 31.823 0.039 0.000 0.638 108 V HN 0.131 nan 8.190 nan 0.000 0.445 109 R N 0.478 120.939 120.500 -0.065 0.000 2.139 109 R HA -0.135 4.205 4.340 0.000 0.000 0.243 109 R C 1.710 177.971 176.300 -0.064 0.000 1.145 109 R CA 1.479 57.531 56.100 -0.080 0.000 0.976 109 R CB -0.363 29.873 30.300 -0.107 0.000 0.866 109 R HN 0.530 nan 8.270 nan 0.000 0.449 110 N N 0.788 119.454 118.700 -0.057 0.000 2.322 110 N HA 0.072 4.812 4.740 0.000 0.000 0.194 110 N C 0.123 175.604 175.510 -0.049 0.000 1.126 110 N CA 0.263 53.285 53.050 -0.047 0.000 0.845 110 N CB 0.395 38.858 38.487 -0.039 0.000 0.976 110 N HN 0.155 nan 8.380 nan 0.000 0.475 111 L N 0.573 121.760 121.223 -0.061 0.000 3.843 111 L HA -0.227 4.113 4.340 0.000 0.000 0.411 111 L C 0.083 176.915 176.870 -0.062 0.000 1.205 111 L CA 0.067 54.867 54.840 -0.066 0.000 0.945 111 L CB -2.713 39.313 42.059 -0.054 0.000 1.929 111 L HN 0.138 nan 8.230 nan 0.000 0.934 112 S N -0.953 114.707 115.700 -0.066 0.000 2.549 112 S HA 0.256 4.726 4.470 0.000 0.000 0.286 112 S C 1.490 176.044 174.600 -0.077 0.000 1.314 112 S CA -0.110 58.055 58.200 -0.059 0.000 1.062 112 S CB 1.683 64.855 63.200 -0.047 0.000 0.865 112 S HN 0.463 nan 8.310 nan 0.000 0.498 113 S N 2.591 118.260 115.700 -0.052 0.000 2.419 113 S HA -0.232 4.238 4.470 0.000 0.000 0.235 113 S C 1.611 176.174 174.600 -0.061 0.000 1.019 113 S CA 1.200 59.373 58.200 -0.045 0.000 0.982 113 S CB -0.526 62.658 63.200 -0.026 0.000 0.789 113 S HN 0.844 nan 8.310 nan 0.000 0.490 114 K N 1.584 121.943 120.400 -0.069 0.000 2.025 114 K HA 0.012 4.332 4.320 0.000 0.000 0.207 114 K C 2.347 178.810 176.600 -0.229 0.000 1.049 114 K CA 1.153 57.401 56.287 -0.064 0.000 0.933 114 K CB -0.554 31.947 32.500 0.001 0.000 0.714 114 K HN 0.453 nan 8.250 nan 0.000 0.438 115 A N 0.422 122.978 122.820 -0.440 0.000 1.872 115 A HA -0.062 4.258 4.320 0.000 0.000 0.214 115 A C 2.171 179.481 177.584 -0.458 0.000 1.187 115 A CA 1.304 52.765 52.037 -0.960 0.000 0.614 115 A CB -0.489 18.059 19.000 -0.753 0.000 0.826 115 A HN 0.159 nan 8.150 nan 0.000 0.442 116 V N 1.113 120.894 119.914 -0.222 0.000 2.626 116 V HA -0.206 3.914 4.120 0.000 0.000 0.252 116 V C 2.213 178.328 176.094 0.036 0.000 1.067 116 V CA 1.889 64.133 62.300 -0.093 0.000 1.081 116 V CB -0.943 30.859 31.823 -0.036 0.000 0.686 116 V HN 0.520 nan 8.190 nan 0.000 0.468 117 N N -0.522 118.188 118.700 0.017 0.000 2.109 117 N HA -0.153 4.587 4.740 0.000 0.000 0.188 117 N C 1.871 177.435 175.510 0.091 0.000 1.034 117 N CA 1.551 54.643 53.050 0.070 0.000 0.846 117 N CB -0.549 37.955 38.487 0.028 0.000 1.010 117 N HN 0.638 nan 8.380 nan 0.000 0.425 118 H N 1.542 120.590 119.070 -0.037 0.000 2.251 118 H HA -0.073 4.483 4.556 0.000 0.000 0.294 118 H C 2.152 177.503 175.328 0.039 0.000 1.078 118 H CA 1.727 57.778 56.048 0.004 0.000 1.246 118 H CB -0.294 29.522 29.762 0.091 0.000 1.358 118 H HN 0.086 nan 8.280 nan 0.000 0.488 119 I N 0.371 120.882 120.570 -0.099 0.000 2.143 119 I HA -0.375 3.795 4.170 0.000 0.000 0.245 119 I C 2.522 178.581 176.117 -0.098 0.000 1.068 119 I CA 1.909 63.132 61.300 -0.128 0.000 1.326 119 I CB -0.622 37.314 38.000 -0.107 0.000 1.028 119 I HN 0.399 nan 8.210 nan 0.000 0.412 120 H N 0.086 119.121 119.070 -0.057 0.000 2.387 120 H HA -0.159 4.397 4.556 0.000 0.000 0.299 120 H C 2.480 177.825 175.328 0.028 0.000 1.099 120 H CA 1.909 57.958 56.048 0.002 0.000 1.315 120 H CB 0.066 29.817 29.762 -0.019 0.000 1.380 120 H HN 0.431 nan 8.280 nan 0.000 0.513 121 S N -0.614 115.123 115.700 0.061 0.000 2.446 121 S HA -0.056 4.414 4.470 0.000 0.000 0.225 121 S C 2.130 176.684 174.600 -0.078 0.000 1.016 121 S CA 0.772 58.964 58.200 -0.013 0.000 0.943 121 S CB -0.287 62.882 63.200 -0.052 0.000 0.786 121 S HN 0.143 nan 8.310 nan 0.000 0.508 122 V N 0.692 120.510 119.914 -0.161 0.000 2.453 122 V HA -0.048 4.072 4.120 0.000 0.000 0.247 122 V C 2.186 178.289 176.094 0.014 0.000 1.048 122 V CA 1.463 63.683 62.300 -0.134 0.000 1.049 122 V CB -0.991 30.720 31.823 -0.188 0.000 0.672 122 V HN 0.724 nan 8.190 nan 0.000 0.457 123 W N 1.578 122.813 121.300 -0.109 0.000 2.381 123 W HA -0.185 4.475 4.660 0.000 0.000 0.301 123 W C 2.391 178.884 176.519 -0.042 0.000 1.205 123 W CA 2.016 59.320 57.345 -0.069 0.000 1.285 123 W CB 0.008 29.423 29.460 -0.076 0.000 1.133 123 W HN 0.242 nan 8.180 nan 0.000 0.521 124 K N 0.744 121.155 120.400 0.018 0.000 2.148 124 K HA -0.240 4.080 4.320 0.000 0.000 0.204 124 K C 1.629 178.141 176.600 -0.146 0.000 1.050 124 K CA 2.060 58.302 56.287 -0.075 0.000 0.942 124 K CB -0.494 32.019 32.500 0.021 0.000 0.724 124 K HN 0.020 nan 8.250 nan 0.000 0.446 125 D N 0.193 120.520 120.400 -0.121 0.000 2.178 125 D HA -0.124 4.516 4.640 0.000 0.000 0.202 125 D C 1.818 178.015 176.300 -0.172 0.000 0.974 125 D CA 0.822 54.751 54.000 -0.118 0.000 0.841 125 D CB 0.131 40.878 40.800 -0.087 0.000 0.953 125 D HN 0.204 nan 8.370 nan 0.000 0.478 126 L N -0.087 120.977 121.223 -0.265 0.000 2.141 126 L HA -0.099 4.241 4.340 0.000 0.000 0.209 126 L C 2.196 178.854 176.870 -0.354 0.000 1.094 126 L CA 0.608 55.246 54.840 -0.337 0.000 0.763 126 L CB -0.241 41.513 42.059 -0.508 0.000 0.908 126 L HN 0.224 nan 8.230 nan 0.000 0.437 127 L N -0.992 119.994 121.223 -0.395 0.000 2.341 127 L HA -0.061 4.279 4.340 0.000 0.000 0.214 127 L C 1.696 178.465 176.870 -0.168 0.000 1.115 127 L CA 0.768 55.433 54.840 -0.292 0.000 0.820 127 L CB -0.171 41.712 42.059 -0.293 0.000 0.944 127 L HN 0.270 nan 8.230 nan 0.000 0.452 128 E N -1.077 119.037 120.200 -0.143 0.000 2.498 128 E HA 0.036 4.386 4.350 0.000 0.000 0.203 128 E C -0.233 176.318 176.600 -0.081 0.000 1.013 128 E CA -0.053 56.291 56.400 -0.093 0.000 0.927 128 E CB 0.630 30.286 29.700 -0.073 0.000 1.012 128 E HN 0.107 nan 8.360 nan 0.000 0.482 129 D N 0.672 121.014 120.400 -0.097 0.000 2.616 129 D HA 0.029 4.669 4.640 0.000 0.000 0.238 129 D C -0.596 175.651 176.300 -0.088 0.000 1.354 129 D CA -0.331 53.623 54.000 -0.077 0.000 0.970 129 D CB 1.411 42.171 40.800 -0.066 0.000 1.369 129 D HN -0.020 nan 8.370 nan 0.000 0.585 130 T N 0.810 115.321 114.554 -0.072 0.000 3.374 130 T HA 0.412 4.762 4.350 0.000 0.000 0.267 130 T C 0.396 175.066 174.700 -0.050 0.000 0.996 130 T CA -0.229 61.829 62.100 -0.071 0.000 0.977 130 T CB 0.157 68.986 68.868 -0.065 0.000 1.149 130 T HN 0.114 nan 8.240 nan 0.000 0.517 131 V N -0.035 119.853 119.914 -0.043 0.000 3.629 131 V HA 0.225 4.345 4.120 0.000 0.000 0.194 131 V C 0.868 176.952 176.094 -0.016 0.000 1.343 131 V CA 0.299 62.583 62.300 -0.026 0.000 1.292 131 V CB 0.315 32.124 31.823 -0.023 0.000 1.287 131 V HN 0.570 nan 8.190 nan 0.000 0.554 132 T N 4.303 118.846 114.554 -0.017 0.000 2.866 132 T HA 0.104 4.454 4.350 0.000 0.000 0.293 132 T C -2.411 172.287 174.700 -0.003 0.000 1.005 132 T CA -0.062 62.035 62.100 -0.005 0.000 1.162 132 T CB 0.568 69.431 68.868 -0.008 0.000 0.968 132 T HN 0.187 nan 8.240 nan 0.000 0.530 133 P HA 0.224 nan 4.420 nan 0.000 0.269 133 P C -0.318 176.979 177.300 -0.006 0.000 1.215 133 P CA -0.227 62.881 63.100 0.014 0.000 0.780 133 P CB 0.451 32.189 31.700 0.064 0.000 0.898 134 I N 1.601 122.153 120.570 -0.029 0.000 2.339 134 I HA 0.193 4.363 4.170 0.000 0.000 0.290 134 I C 0.618 176.715 176.117 -0.034 0.000 0.994 134 I CA -0.710 60.578 61.300 -0.020 0.000 1.191 134 I CB 1.064 39.049 38.000 -0.026 0.000 1.343 134 I HN 0.315 nan 8.210 nan 0.000 0.458 135 D N 4.967 125.356 120.400 -0.018 0.000 2.506 135 D HA 0.095 4.736 4.640 0.000 0.000 0.234 135 D C -0.174 176.071 176.300 -0.093 0.000 1.143 135 D CA 0.556 54.528 54.000 -0.047 0.000 0.871 135 D CB 0.795 41.579 40.800 -0.026 0.000 1.190 135 D HN 0.640 nan 8.370 nan 0.000 0.459 136 T N -0.491 113.985 114.554 -0.131 0.000 2.906 136 T HA 0.628 4.978 4.350 0.000 0.000 0.295 136 T C -0.443 174.103 174.700 -0.258 0.000 1.075 136 T CA -1.009 60.970 62.100 -0.202 0.000 1.005 136 T CB 1.624 70.409 68.868 -0.139 0.000 1.136 136 T HN 0.235 nan 8.240 nan 0.000 0.498 137 T N 2.063 116.331 114.554 -0.478 0.000 2.794 137 T HA 0.588 4.938 4.350 0.000 0.000 0.280 137 T C -0.509 174.080 174.700 -0.185 0.000 0.987 137 T CA -0.616 61.233 62.100 -0.417 0.000 0.993 137 T CB 0.786 69.223 68.868 -0.718 0.000 0.939 137 T HN 0.726 nan 8.240 nan 0.000 0.449 138 I N 4.394 124.964 120.570 0.001 0.000 2.362 138 I HA 0.552 4.722 4.170 0.000 0.000 0.289 138 I C -0.921 175.283 176.117 0.145 0.000 0.994 138 I CA -0.778 60.594 61.300 0.120 0.000 1.158 138 I CB 0.509 38.600 38.000 0.151 0.000 1.315 138 I HN 0.502 nan 8.210 nan 0.000 0.451 139 M N 6.495 126.212 119.600 0.194 0.000 2.501 139 M HA 0.491 4.971 4.480 0.000 0.000 0.293 139 M C -0.634 175.733 176.300 0.110 0.000 1.192 139 M CA -0.738 54.652 55.300 0.150 0.000 0.886 139 M CB 2.189 34.902 32.600 0.189 0.000 1.710 139 M HN 0.596 nan 8.290 nan 0.000 0.457 140 A N 2.742 125.604 122.820 0.069 0.000 2.362 140 A HA 0.404 4.725 4.320 0.000 0.000 0.276 140 A C -0.140 177.471 177.584 0.045 0.000 1.153 140 A CA -0.323 51.745 52.037 0.051 0.000 0.813 140 A CB 0.192 19.210 19.000 0.030 0.000 1.081 140 A HN 0.797 nan 8.150 nan 0.000 0.507 141 K N 1.781 122.209 120.400 0.047 0.000 2.319 141 K HA 0.066 4.386 4.320 0.000 0.000 0.265 141 K C -0.461 176.139 176.600 0.000 0.000 1.000 141 K CA 0.235 56.536 56.287 0.022 0.000 0.943 141 K CB 0.433 32.953 32.500 0.035 0.000 0.950 141 K HN 0.789 nan 8.250 nan 0.000 0.485 142 N N 2.493 121.163 118.700 -0.050 0.000 2.609 142 N HA 0.093 4.833 4.740 0.000 0.000 0.234 142 N C -1.407 173.967 175.510 -0.227 0.000 1.001 142 N CA -0.280 52.702 53.050 -0.114 0.000 0.926 142 N CB 0.942 39.362 38.487 -0.111 0.000 1.130 142 N HN 0.362 nan 8.380 nan 0.000 0.510 143 E N 1.184 121.234 120.200 -0.250 0.000 2.210 143 E HA 0.315 4.665 4.350 0.000 0.000 0.266 143 E C -0.652 175.462 176.600 -0.810 0.000 0.883 143 E CA -0.881 55.222 56.400 -0.494 0.000 0.761 143 E CB 2.435 31.903 29.700 -0.386 0.000 1.156 143 E HN 0.109 nan 8.360 nan 0.000 0.412 144 V N 4.029 123.368 119.914 -0.959 0.000 2.530 144 V HA 0.318 4.438 4.120 0.000 0.000 0.282 144 V C -0.413 175.038 176.094 -1.071 0.000 1.048 144 V CA 0.195 61.945 62.300 -0.916 0.000 0.997 144 V CB -0.290 31.107 31.823 -0.711 0.000 0.987 144 V HN 0.534 nan 8.190 nan 0.000 0.477 145 F N 2.099 121.707 119.950 -0.570 0.000 2.790 145 F HA 0.665 5.193 4.527 0.001 0.000 0.337 145 F C 0.059 175.775 175.800 -0.140 0.000 1.163 145 F CA -0.788 57.007 58.000 -0.340 0.000 0.997 145 F CB 1.316 40.136 39.000 -0.300 0.000 1.437 145 F HN 0.529 nan 8.300 nan 0.000 0.512 146 C N 2.274 121.770 119.300 0.326 0.000 2.456 146 C HA 0.832 5.292 4.460 0.000 0.000 0.325 146 C C -0.323 174.899 174.990 0.388 0.000 1.217 146 C CA -0.691 58.514 59.018 0.312 0.000 1.687 146 C CB 0.243 28.091 27.740 0.180 0.000 2.270 146 C HN 0.686 nan 8.230 nan 0.000 0.499 147 V N 4.435 124.550 119.914 0.334 0.000 2.924 147 V HA 0.564 4.684 4.120 0.000 0.000 0.305 147 V C -0.072 176.080 176.094 0.097 0.000 1.073 147 V CA 0.128 62.530 62.300 0.170 0.000 1.098 147 V CB 0.679 32.534 31.823 0.054 0.000 1.000 147 V HN 1.348 nan 8.190 nan 0.000 0.484 155 K N 2.172 122.605 120.400 0.055 0.000 2.087 155 K HA 0.557 4.877 4.320 0.000 0.000 0.255 155 K C -2.307 174.343 176.600 0.082 0.000 0.988 155 K CA -1.567 54.724 56.287 0.007 0.000 0.915 155 K CB 1.369 33.785 32.500 -0.139 0.000 1.043 155 K HN 0.179 nan 8.250 nan 0.000 0.457 156 P HA 0.095 nan 4.420 nan 0.000 0.279 156 P C -0.796 176.551 177.300 0.079 0.000 1.252 156 P CA -0.543 62.593 63.100 0.059 0.000 0.811 156 P CB 1.070 32.782 31.700 0.020 0.000 1.035 157 A N 3.561 126.433 122.820 0.086 0.000 2.545 157 A HA 0.047 4.367 4.320 0.000 0.000 0.253 157 A C 0.836 178.463 177.584 0.072 0.000 1.074 157 A CA -0.004 52.087 52.037 0.089 0.000 0.760 157 A CB -0.532 18.506 19.000 0.063 0.000 1.005 157 A HN 0.439 nan 8.150 nan 0.000 0.506 158 R N 0.707 121.264 120.500 0.095 0.000 2.863 158 R HA 0.270 4.610 4.340 0.000 0.000 0.273 158 R C -0.863 175.487 176.300 0.083 0.000 1.057 158 R CA -0.370 55.785 56.100 0.092 0.000 1.191 158 R CB 0.078 30.447 30.300 0.116 0.000 1.104 158 R HN 0.506 nan 8.270 nan 0.000 0.519 159 L N 1.626 122.906 121.223 0.095 0.000 2.307 159 L HA 0.374 4.714 4.340 0.000 0.000 0.284 159 L C -0.510 176.444 176.870 0.140 0.000 1.023 159 L CA -0.451 54.452 54.840 0.104 0.000 0.810 159 L CB 1.383 43.497 42.059 0.092 0.000 1.231 159 L HN 0.425 nan 8.230 nan 0.000 0.423 160 I N 4.061 124.722 120.570 0.152 0.000 2.362 160 I HA 0.566 4.736 4.170 0.000 0.000 0.289 160 I C -0.886 175.408 176.117 0.295 0.000 0.994 160 I CA -0.315 61.097 61.300 0.186 0.000 1.158 160 I CB 1.540 39.610 38.000 0.116 0.000 1.315 160 I HN 0.225 nan 8.210 nan 0.000 0.451 161 V N 9.046 129.145 119.914 0.309 0.000 2.487 161 V HA 0.609 4.729 4.120 0.000 0.000 0.298 161 V C -0.736 175.587 176.094 0.382 0.000 1.028 161 V CA -0.504 61.975 62.300 0.299 0.000 0.860 161 V CB 1.198 33.137 31.823 0.193 0.000 0.991 161 V HN 0.583 nan 8.190 nan 0.000 0.427 162 F N 4.788 124.778 119.950 0.066 0.000 2.631 162 F HA 0.943 5.470 4.527 0.000 0.000 0.308 162 F C -3.152 172.681 175.800 0.054 0.000 1.097 162 F CA -2.903 55.137 58.000 0.068 0.000 0.952 162 F CB 1.596 40.630 39.000 0.057 0.000 1.307 162 F HN 0.300 nan 8.300 nan 0.000 0.450 163 P HA 0.193 nan 4.420 nan 0.000 0.281 163 P C -1.007 176.307 177.300 0.023 0.000 1.264 163 P CA -0.170 62.917 63.100 -0.022 0.000 0.824 163 P CB 1.538 33.283 31.700 0.075 0.000 1.092 164 D N -0.110 120.288 120.400 -0.003 0.000 2.406 164 D HA -0.108 4.532 4.640 0.000 0.000 0.234 164 D C 1.322 177.712 176.300 0.150 0.000 1.196 164 D CA -0.186 53.835 54.000 0.034 0.000 0.881 164 D CB 0.288 41.106 40.800 0.031 0.000 1.205 164 D HN 0.107 nan 8.370 nan 0.000 0.453 165 L N 3.290 124.589 121.223 0.126 0.000 2.043 165 L HA -0.021 4.320 4.340 0.000 0.000 0.212 165 L C 2.072 179.092 176.870 0.249 0.000 1.075 165 L CA 2.620 57.553 54.840 0.155 0.000 0.752 165 L CB -1.175 40.923 42.059 0.066 0.000 0.891 165 L HN 0.656 nan 8.230 nan 0.000 0.432 166 G N -1.203 107.822 108.800 0.375 0.000 2.440 166 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 166 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 166 G C 1.543 176.604 174.900 0.269 0.000 1.154 166 G CA 1.134 46.525 45.100 0.485 0.000 0.767 166 G HN 0.362 nan 8.290 nan 0.000 0.552 167 V N 0.760 120.819 119.914 0.243 0.000 2.407 167 V HA -0.156 3.964 4.120 0.000 0.000 0.248 167 V C 2.918 179.116 176.094 0.173 0.000 1.055 167 V CA 1.798 64.206 62.300 0.180 0.000 1.049 167 V CB -0.457 31.456 31.823 0.150 0.000 0.662 167 V HN 0.327 nan 8.190 nan 0.000 0.455 168 R N -0.209 120.397 120.500 0.176 0.000 2.091 168 R HA -0.130 4.211 4.340 0.000 0.000 0.238 168 R C 2.241 178.610 176.300 0.115 0.000 1.136 168 R CA 1.510 57.703 56.100 0.155 0.000 0.959 168 R CB -0.684 29.705 30.300 0.147 0.000 0.856 168 R HN 0.426 nan 8.270 nan 0.000 0.437 169 V N 0.351 120.326 119.914 0.102 0.000 2.490 169 V HA -0.276 3.844 4.120 0.000 0.000 0.250 169 V C 2.436 178.537 176.094 0.011 0.000 1.061 169 V CA 1.405 63.723 62.300 0.030 0.000 1.064 169 V CB -0.408 31.428 31.823 0.022 0.000 0.670 169 V HN 0.448 nan 8.190 nan 0.000 0.461 170 C N -0.200 119.160 119.300 0.099 0.000 2.466 170 C HA -0.093 4.367 4.460 0.000 0.000 0.278 170 C C 2.647 177.774 174.990 0.229 0.000 1.288 170 C CA 0.677 59.807 59.018 0.187 0.000 1.722 170 C CB -0.838 27.137 27.740 0.391 0.000 2.017 170 C HN 0.623 nan 8.230 nan 0.000 0.488 171 E N 0.934 121.260 120.200 0.210 0.000 2.097 171 E HA -0.262 4.088 4.350 0.000 0.000 0.196 171 E C 2.094 178.801 176.600 0.179 0.000 1.000 171 E CA 1.316 57.853 56.400 0.230 0.000 0.804 171 E CB -0.182 29.666 29.700 0.245 0.000 0.740 171 E HN 0.637 nan 8.360 nan 0.000 0.454 172 K N 0.476 120.944 120.400 0.113 0.000 2.002 172 K HA -0.122 4.198 4.320 0.000 0.000 0.209 172 K C 2.245 178.867 176.600 0.038 0.000 1.048 172 K CA 1.437 57.785 56.287 0.100 0.000 0.930 172 K CB -0.196 32.288 32.500 -0.028 0.000 0.714 172 K HN 0.085 nan 8.250 nan 0.000 0.438 173 M N 0.170 119.705 119.600 -0.110 0.000 2.146 173 M HA -0.291 4.189 4.480 0.000 0.000 0.256 173 M C 2.224 178.457 176.300 -0.111 0.000 1.075 173 M CA 2.052 57.191 55.300 -0.268 0.000 1.082 173 M CB -0.272 31.891 32.600 -0.729 0.000 1.355 173 M HN 0.319 nan 8.290 nan 0.000 0.402 174 A N -1.074 121.795 122.820 0.082 0.000 1.942 174 A HA 0.163 4.484 4.320 0.000 0.000 0.209 174 A C 1.747 179.404 177.584 0.122 0.000 1.214 174 A CA 0.458 52.623 52.037 0.213 0.000 0.686 174 A CB -0.030 19.232 19.000 0.436 0.000 0.871 174 A HN 0.458 nan 8.150 nan 0.000 0.460 175 L N -2.337 118.952 121.223 0.111 0.000 2.638 175 L HA 0.158 4.498 4.340 0.000 0.000 0.232 175 L C 2.120 179.004 176.870 0.023 0.000 1.099 175 L CA 0.176 55.025 54.840 0.015 0.000 0.883 175 L CB -0.346 41.712 42.059 -0.002 0.000 1.136 175 L HN 0.471 nan 8.230 nan 0.000 0.492 176 Y N 2.065 122.357 120.300 -0.014 0.000 2.053 176 Y HA -0.382 4.168 4.550 0.000 0.000 0.277 176 Y C 2.258 178.163 175.900 0.009 0.000 1.159 176 Y CA 2.376 60.469 58.100 -0.010 0.000 1.125 176 Y CB -0.138 38.292 38.460 -0.050 0.000 0.969 176 Y HN 0.222 nan 8.280 nan 0.000 0.492 177 D N -0.770 119.681 120.400 0.084 0.000 2.309 177 D HA -0.140 4.500 4.640 0.000 0.000 0.212 177 D C 1.903 178.158 176.300 -0.076 0.000 0.968 177 D CA 1.195 55.196 54.000 0.002 0.000 0.882 177 D CB -0.047 40.805 40.800 0.086 0.000 0.918 177 D HN 0.292 nan 8.370 nan 0.000 0.503 178 V N 0.090 119.947 119.914 -0.096 0.000 2.302 178 V HA -0.171 3.950 4.120 0.000 0.000 0.243 178 V C 2.689 178.686 176.094 -0.161 0.000 1.036 178 V CA 1.451 63.673 62.300 -0.130 0.000 1.020 178 V CB -0.715 30.985 31.823 -0.205 0.000 0.657 178 V HN 0.287 nan 8.190 nan 0.000 0.453 179 V N -1.188 118.616 119.914 -0.183 0.000 2.867 179 V HA -0.152 3.968 4.120 0.000 0.000 0.260 179 V C 2.101 178.099 176.094 -0.160 0.000 1.099 179 V CA 2.068 64.273 62.300 -0.159 0.000 1.122 179 V CB -1.051 30.713 31.823 -0.099 0.000 0.708 179 V HN 0.483 nan 8.190 nan 0.000 0.490 180 S N 0.476 116.076 115.700 -0.166 0.000 2.414 180 S HA -0.055 4.415 4.470 0.000 0.000 0.227 180 S C 1.866 176.419 174.600 -0.080 0.000 1.022 180 S CA 1.558 59.690 58.200 -0.113 0.000 0.958 180 S CB -0.139 62.960 63.200 -0.168 0.000 0.797 180 S HN 0.778 nan 8.310 nan 0.000 0.493 181 T N 2.379 116.872 114.554 -0.102 0.000 3.082 181 T HA 0.243 4.593 4.350 0.000 0.000 0.235 181 T C 1.782 176.393 174.700 -0.149 0.000 0.991 181 T CA 0.220 62.265 62.100 -0.093 0.000 1.220 181 T CB -0.757 68.075 68.868 -0.060 0.000 0.909 181 T HN 0.170 nan 8.240 nan 0.000 0.424 182 L N 2.300 123.438 121.223 -0.141 0.000 2.040 182 L HA -0.207 4.133 4.340 0.000 0.000 0.228 182 L C -0.969 175.737 176.870 -0.274 0.000 1.092 182 L CA 2.312 57.061 54.840 -0.151 0.000 0.805 182 L CB -1.154 40.857 42.059 -0.081 0.000 0.905 182 L HN 0.183 nan 8.230 nan 0.000 0.443 183 P HA -0.263 nan 4.420 nan 0.000 0.217 183 P C 1.384 178.219 177.300 -0.775 0.000 1.162 183 P CA 1.727 64.339 63.100 -0.813 0.000 0.901 183 P CB -0.233 30.562 31.700 -1.508 0.000 0.793 184 Q N -0.065 119.365 119.800 -0.615 0.000 2.135 184 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 184 Q C 1.971 177.854 176.000 -0.196 0.000 0.981 184 Q CA 1.725 57.379 55.803 -0.249 0.000 0.856 184 Q CB -0.954 27.741 28.738 -0.071 0.000 0.902 184 Q HN 0.095 nan 8.270 nan 0.000 0.425 185 V N -0.186 119.615 119.914 -0.188 0.000 2.379 185 V HA -0.171 3.949 4.120 0.000 0.000 0.245 185 V C 2.503 178.510 176.094 -0.146 0.000 1.044 185 V CA 1.313 63.535 62.300 -0.129 0.000 1.036 185 V CB -0.365 31.400 31.823 -0.097 0.000 0.664 185 V HN 0.111 nan 8.190 nan 0.000 0.453 186 V N -0.606 119.184 119.914 -0.206 0.000 2.488 186 V HA -0.125 3.995 4.120 0.000 0.000 0.246 186 V C 1.931 177.840 176.094 -0.310 0.000 1.046 186 V CA 1.980 64.151 62.300 -0.216 0.000 1.053 186 V CB -0.372 31.315 31.823 -0.227 0.000 0.679 186 V HN 0.492 nan 8.190 nan 0.000 0.458 187 M N -1.193 118.145 119.600 -0.436 0.000 2.313 187 M HA 0.424 4.904 4.480 0.000 0.000 0.273 187 M C 1.387 177.540 176.300 -0.245 0.000 1.049 187 M CA 0.680 55.633 55.300 -0.578 0.000 1.004 187 M CB 0.726 32.770 32.600 -0.927 0.000 1.461 187 M HN 0.362 nan 8.290 nan 0.000 0.514 188 G N 1.650 110.346 108.800 -0.173 0.000 2.634 188 G HA2 -0.418 3.542 3.960 0.000 0.000 0.309 188 G HA3 -0.418 3.542 3.960 0.000 0.000 0.309 188 G C 0.993 175.828 174.900 -0.108 0.000 1.265 188 G CA 1.101 46.147 45.100 -0.091 0.000 0.998 188 G HN 0.556 nan 8.290 nan 0.000 0.551 189 S N -0.800 114.865 115.700 -0.057 0.000 2.440 189 S HA -0.077 4.393 4.470 0.000 0.000 0.240 189 S C 2.274 176.655 174.600 -0.365 0.000 1.014 189 S CA 2.347 60.453 58.200 -0.156 0.000 0.980 189 S CB -0.367 62.898 63.200 0.108 0.000 0.775 189 S HN 1.103 nan 8.310 nan 0.000 0.499 190 S N 0.105 115.754 115.700 -0.085 0.000 2.481 190 S HA 0.102 4.572 4.470 0.000 0.000 0.231 190 S C 0.322 174.853 174.600 -0.115 0.000 0.996 190 S CA 0.005 58.213 58.200 0.013 0.000 0.942 190 S CB -0.457 62.869 63.200 0.211 0.000 0.768 190 S HN 0.691 nan 8.310 nan 0.000 0.520 191 Y N 3.055 123.122 120.300 -0.389 0.000 2.587 191 Y HA 0.398 4.948 4.550 0.000 0.000 0.344 191 Y C 1.217 176.765 175.900 -0.587 0.000 1.061 191 Y CA -1.515 56.334 58.100 -0.418 0.000 1.370 191 Y CB -0.039 38.202 38.460 -0.366 0.000 1.163 191 Y HN 0.048 nan 8.280 nan 0.000 0.527 192 G N 4.480 112.829 108.800 -0.753 0.000 2.744 192 G HA2 -0.178 3.782 3.960 0.000 0.000 0.211 192 G HA3 -0.178 3.782 3.960 0.000 0.000 0.211 192 G C 0.760 175.120 174.900 -0.901 0.000 1.143 192 G CA 0.031 44.667 45.100 -0.773 0.000 0.788 192 G HN 0.593 nan 8.290 nan 0.000 0.534 193 F N 0.623 119.920 119.950 -1.089 0.000 2.765 193 F HA 0.148 4.675 4.527 0.001 0.000 0.302 193 F C 2.522 178.091 175.800 -0.385 0.000 1.111 193 F CA -0.026 57.540 58.000 -0.723 0.000 1.359 193 F CB 0.297 38.852 39.000 -0.741 0.000 1.097 193 F HN 0.379 nan 8.300 nan 0.000 0.577 194 Q N -1.410 118.143 119.800 -0.412 0.000 2.384 194 Q HA 0.027 4.367 4.340 0.000 0.000 0.207 194 Q C -0.529 175.500 176.000 0.049 0.000 0.904 194 Q CA 0.421 56.145 55.803 -0.132 0.000 0.933 194 Q CB -0.104 28.491 28.738 -0.238 0.000 1.077 194 Q HN 0.174 nan 8.270 nan 0.000 0.522 195 Y N 2.248 122.556 120.300 0.013 0.000 2.310 195 Y HA 0.336 4.886 4.550 0.000 0.000 0.326 195 Y C 0.680 176.529 175.900 -0.085 0.000 1.151 195 Y CA -1.833 56.245 58.100 -0.037 0.000 1.195 195 Y CB 1.384 39.776 38.460 -0.115 0.000 1.210 195 Y HN 0.122 nan 8.280 nan 0.000 0.483 196 S N 2.515 118.112 115.700 -0.171 0.000 2.652 196 S HA 0.333 4.804 4.470 0.000 0.000 0.270 196 S C -2.059 172.319 174.600 -0.369 0.000 1.243 196 S CA -1.263 56.458 58.200 -0.797 0.000 0.999 196 S CB 1.629 64.359 63.200 -0.785 0.000 0.973 196 S HN 0.371 nan 8.310 nan 0.000 0.544 197 P HA -0.034 nan 4.420 nan 0.000 0.216 197 P C 1.617 178.888 177.300 -0.050 0.000 1.150 197 P CA 1.775 64.811 63.100 -0.106 0.000 0.843 197 P CB -0.432 31.255 31.700 -0.021 0.000 0.787 198 G N -0.230 108.524 108.800 -0.077 0.000 2.434 198 G HA2 -0.256 3.704 3.960 0.000 0.000 0.214 198 G HA3 -0.256 3.704 3.960 0.000 0.000 0.214 198 G C 1.481 176.328 174.900 -0.089 0.000 1.202 198 G CA 0.529 45.613 45.100 -0.027 0.000 0.788 198 G HN 0.283 nan 8.290 nan 0.000 0.539 199 Q N -0.256 119.456 119.800 -0.145 0.000 2.197 199 Q HA -0.126 4.214 4.340 0.000 0.000 0.207 199 Q C 2.558 178.349 176.000 -0.347 0.000 0.984 199 Q CA 1.187 56.866 55.803 -0.206 0.000 0.869 199 Q CB -0.197 28.451 28.738 -0.151 0.000 0.906 199 Q HN 0.465 nan 8.270 nan 0.000 0.426 200 R N 0.566 120.940 120.500 -0.210 0.000 2.092 200 R HA -0.114 4.226 4.340 0.000 0.000 0.231 200 R C 2.014 178.260 176.300 -0.090 0.000 1.119 200 R CA 1.132 57.150 56.100 -0.137 0.000 0.970 200 R CB 0.041 30.360 30.300 0.031 0.000 0.864 200 R HN 0.119 nan 8.270 nan 0.000 0.440 201 V N 1.132 120.997 119.914 -0.080 0.000 2.427 201 V HA -0.188 3.932 4.120 0.000 0.000 0.248 201 V C 2.313 178.345 176.094 -0.103 0.000 1.051 201 V CA 2.085 64.338 62.300 -0.077 0.000 1.048 201 V CB -0.525 31.279 31.823 -0.031 0.000 0.666 201 V HN 0.473 nan 8.190 nan 0.000 0.456 202 E N 0.107 120.250 120.200 -0.096 0.000 2.047 202 E HA -0.266 4.085 4.350 0.000 0.000 0.191 202 E C 2.122 178.666 176.600 -0.094 0.000 0.987 202 E CA 1.553 57.900 56.400 -0.088 0.000 0.799 202 E CB -0.267 29.387 29.700 -0.076 0.000 0.752 202 E HN 0.496 nan 8.360 nan 0.000 0.449 203 F N 1.397 121.163 119.950 -0.306 0.000 2.126 203 F HA -0.167 4.360 4.527 0.001 0.000 0.299 203 F C 1.863 177.575 175.800 -0.147 0.000 1.096 203 F CA 1.466 59.298 58.000 -0.280 0.000 1.255 203 F CB -0.201 38.484 39.000 -0.524 0.000 0.997 203 F HN 0.035 nan 8.300 nan 0.000 0.479 204 L N -1.017 120.094 121.223 -0.188 0.000 2.141 204 L HA -0.178 4.162 4.340 0.000 0.000 0.209 204 L C 2.289 179.025 176.870 -0.224 0.000 1.094 204 L CA 0.596 55.294 54.840 -0.238 0.000 0.763 204 L CB -0.690 41.287 42.059 -0.136 0.000 0.908 204 L HN 0.044 nan 8.230 nan 0.000 0.437 205 V N -0.081 119.691 119.914 -0.237 0.000 2.239 205 V HA -0.248 3.872 4.120 0.000 0.000 0.242 205 V C 2.225 178.236 176.094 -0.138 0.000 1.038 205 V CA 1.766 63.913 62.300 -0.256 0.000 1.002 205 V CB -0.602 31.023 31.823 -0.331 0.000 0.641 205 V HN 0.470 nan 8.190 nan 0.000 0.449 206 N N 0.221 118.836 118.700 -0.141 0.000 2.037 206 N HA -0.219 4.521 4.740 0.000 0.000 0.196 206 N C 1.853 177.287 175.510 -0.126 0.000 1.034 206 N CA 2.418 55.405 53.050 -0.104 0.000 0.861 206 N CB -0.636 37.800 38.487 -0.085 0.000 1.039 206 N HN 0.465 nan 8.380 nan 0.000 0.427 207 T N 0.876 115.281 114.554 -0.248 0.000 2.653 207 T HA -0.200 4.151 4.350 0.000 0.000 0.268 207 T C 1.425 176.052 174.700 -0.121 0.000 1.035 207 T CA 1.026 62.970 62.100 -0.260 0.000 1.154 207 T CB -0.371 68.213 68.868 -0.473 0.000 0.862 207 T HN 0.469 nan 8.240 nan 0.000 0.441 208 W N 2.001 123.157 121.300 -0.240 0.000 2.392 208 W HA -0.045 4.614 4.660 -0.001 0.000 0.279 208 W C 1.500 177.941 176.519 -0.130 0.000 1.225 208 W CA 0.999 58.238 57.345 -0.177 0.000 1.233 208 W CB -0.092 29.249 29.460 -0.197 0.000 1.122 208 W HN 0.315 nan 8.180 nan 0.000 0.561 209 K N -0.210 120.202 120.400 0.020 0.000 2.379 209 K HA -0.046 4.274 4.320 0.000 0.000 0.194 209 K C 2.018 178.574 176.600 -0.073 0.000 1.031 209 K CA 1.032 57.309 56.287 -0.017 0.000 1.037 209 K CB 0.023 32.533 32.500 0.017 0.000 0.824 209 K HN -0.037 nan 8.250 nan 0.000 0.516 210 S N 0.373 116.013 115.700 -0.100 0.000 2.528 210 S HA 0.070 4.540 4.470 0.000 0.000 0.219 210 S C 0.489 175.018 174.600 -0.118 0.000 0.985 210 S CA 0.018 58.163 58.200 -0.092 0.000 0.914 210 S CB 0.096 63.244 63.200 -0.086 0.000 0.776 210 S HN -0.083 nan 8.310 nan 0.000 0.526 211 K N 2.142 122.433 120.400 -0.183 0.000 2.183 211 K HA 0.411 4.731 4.320 0.000 0.000 0.274 211 K C 0.490 176.981 176.600 -0.182 0.000 1.009 211 K CA -0.407 55.760 56.287 -0.200 0.000 0.888 211 K CB 1.361 33.678 32.500 -0.304 0.000 1.078 211 K HN 0.160 nan 8.250 nan 0.000 0.459 212 K N 1.242 121.566 120.400 -0.127 0.000 1.991 212 K HA -0.095 4.225 4.320 0.000 0.000 0.212 212 K C 0.265 176.791 176.600 -0.124 0.000 1.049 212 K CA 1.271 57.498 56.287 -0.099 0.000 0.932 212 K CB 0.077 32.534 32.500 -0.071 0.000 0.717 212 K HN 0.431 nan 8.250 nan 0.000 0.441 213 N N 1.501 120.119 118.700 -0.137 0.000 2.626 213 N HA 0.214 4.954 4.740 0.000 0.000 0.249 213 N C -2.771 172.609 175.510 -0.217 0.000 1.021 213 N CA -1.245 51.720 53.050 -0.142 0.000 0.886 213 N CB 1.687 40.123 38.487 -0.085 0.000 1.149 213 N HN 0.067 nan 8.380 nan 0.000 0.517 214 P HA 0.206 nan 4.420 nan 0.000 0.275 214 P C -0.459 176.536 177.300 -0.509 0.000 1.227 214 P CA -0.380 62.271 63.100 -0.748 0.000 0.781 214 P CB 1.374 32.037 31.700 -1.729 0.000 0.906 215 M N 2.450 121.807 119.600 -0.405 0.000 2.277 215 M HA 0.578 5.058 4.480 0.000 0.000 0.282 215 M C -1.547 174.711 176.300 -0.069 0.000 1.074 215 M CA -0.186 55.001 55.300 -0.188 0.000 0.954 215 M CB 2.117 34.702 32.600 -0.024 0.000 1.672 215 M HN 0.570 nan 8.290 nan 0.000 0.471 216 G N 4.098 112.947 108.800 0.082 0.000 2.619 216 G HA2 0.876 4.836 3.960 0.000 0.000 0.296 216 G HA3 0.876 4.836 3.960 0.000 0.000 0.296 216 G C -1.878 173.157 174.900 0.224 0.000 1.334 216 G CA -0.591 44.632 45.100 0.205 0.000 0.934 216 G HN 0.823 nan 8.290 nan 0.000 0.476 217 F N -0.659 119.248 119.950 -0.073 0.000 2.693 217 F HA 0.821 5.349 4.527 0.002 0.000 0.309 217 F C -0.360 175.418 175.800 -0.037 0.000 1.129 217 F CA -1.650 56.304 58.000 -0.077 0.000 0.948 217 F CB 1.393 40.324 39.000 -0.114 0.000 1.315 217 F HN 0.686 nan 8.300 nan 0.000 0.447 218 S N 0.879 116.595 115.700 0.026 0.000 2.537 218 S HA 0.721 5.191 4.470 0.000 0.000 0.301 218 S C -1.820 172.870 174.600 0.150 0.000 1.092 218 S CA -0.576 57.605 58.200 -0.030 0.000 1.048 218 S CB 1.774 64.968 63.200 -0.010 0.000 1.053 218 S HN 0.896 nan 8.310 nan 0.000 0.501 219 Y N 1.606 121.919 120.300 0.022 0.000 2.331 219 Y HA 0.471 5.021 4.550 -0.000 0.000 0.334 219 Y C -1.045 174.931 175.900 0.127 0.000 0.960 219 Y CA -0.782 57.412 58.100 0.157 0.000 1.130 219 Y CB 1.545 40.171 38.460 0.276 0.000 1.164 219 Y HN 0.906 nan 8.280 nan 0.000 0.458 220 D N 4.374 124.564 120.400 -0.351 0.000 2.454 220 D HA 0.216 4.856 4.640 0.000 0.000 0.225 220 D C -0.842 175.328 176.300 -0.216 0.000 1.081 220 D CA -0.190 53.702 54.000 -0.179 0.000 0.864 220 D CB 0.856 41.587 40.800 -0.114 0.000 1.040 220 D HN 0.428 nan 8.370 nan 0.000 0.517 221 T N 3.846 118.441 114.554 0.068 0.000 2.834 221 T HA 0.063 4.413 4.350 0.000 0.000 0.298 221 T C 0.556 175.365 174.700 0.182 0.000 0.966 221 T CA -0.405 61.838 62.100 0.239 0.000 1.141 221 T CB 0.579 69.817 68.868 0.616 0.000 0.905 221 T HN 0.304 nan 8.240 nan 0.000 0.535 222 R N 2.923 123.488 120.500 0.108 0.000 2.457 222 R HA 0.012 4.352 4.340 0.000 0.000 0.335 222 R C 0.278 176.678 176.300 0.167 0.000 1.003 222 R CA -0.049 56.099 56.100 0.079 0.000 1.003 222 R CB -1.048 29.245 30.300 -0.012 0.000 0.950 222 R HN 0.961 nan 8.270 nan 0.000 0.428 223 C N 6.260 125.679 119.300 0.200 0.000 3.514 223 C HA -0.201 4.259 4.460 0.000 0.000 0.286 223 C C 1.314 176.498 174.990 0.323 0.000 1.302 223 C CA 0.197 59.374 59.018 0.265 0.000 2.239 223 C CB -2.495 25.426 27.740 0.301 0.000 1.429 223 C HN 1.041 nan 8.230 nan 0.000 0.565 224 F N 1.579 121.638 119.950 0.181 0.000 2.141 224 F HA -0.170 4.357 4.527 -0.000 0.000 0.300 224 F C 1.698 177.605 175.800 0.178 0.000 1.079 224 F CA 2.632 60.742 58.000 0.183 0.000 1.264 224 F CB -0.056 39.038 39.000 0.157 0.000 1.011 224 F HN 0.587 nan 8.300 nan 0.000 0.487 225 D N -0.802 119.808 120.400 0.350 0.000 2.178 225 D HA -0.122 4.518 4.640 0.000 0.000 0.202 225 D C 2.415 178.771 176.300 0.094 0.000 0.974 225 D CA 1.411 55.552 54.000 0.235 0.000 0.841 225 D CB -0.227 40.727 40.800 0.256 0.000 0.953 225 D HN 0.233 nan 8.370 nan 0.000 0.478 226 S N -0.773 115.008 115.700 0.135 0.000 2.436 226 S HA -0.091 4.379 4.470 0.000 0.000 0.228 226 S C 2.080 176.642 174.600 -0.064 0.000 1.014 226 S CA 1.227 59.420 58.200 -0.012 0.000 0.950 226 S CB -0.164 63.059 63.200 0.038 0.000 0.784 226 S HN 0.512 nan 8.310 nan 0.000 0.504 227 T N 0.337 114.941 114.554 0.084 0.000 2.904 227 T HA 0.043 4.393 4.350 0.000 0.000 0.267 227 T C 0.839 175.472 174.700 -0.112 0.000 1.059 227 T CA 0.273 62.408 62.100 0.058 0.000 1.137 227 T CB -0.744 68.092 68.868 -0.054 0.000 0.879 227 T HN 0.071 nan 8.240 nan 0.000 0.467 228 V N 3.788 123.573 119.914 -0.216 0.000 2.584 228 V HA 0.252 4.372 4.120 0.000 0.000 0.303 228 V C 1.192 177.226 176.094 -0.099 0.000 1.035 228 V CA 0.359 62.562 62.300 -0.161 0.000 1.172 228 V CB -0.220 31.544 31.823 -0.098 0.000 0.896 228 V HN 0.808 nan 8.190 nan 0.000 0.486 229 T N 0.768 115.285 114.554 -0.062 0.000 2.937 229 T HA 0.352 4.702 4.350 0.000 0.000 0.283 229 T C 0.970 175.652 174.700 -0.030 0.000 1.012 229 T CA -0.291 61.778 62.100 -0.052 0.000 0.997 229 T CB 1.647 70.494 68.868 -0.036 0.000 1.136 229 T HN 0.698 nan 8.240 nan 0.000 0.551 230 E N 0.401 120.584 120.200 -0.028 0.000 2.118 230 E HA -0.262 4.088 4.350 0.000 0.000 0.195 230 E C 1.849 178.449 176.600 0.001 0.000 0.992 230 E CA 1.651 58.046 56.400 -0.008 0.000 0.804 230 E CB -0.209 29.486 29.700 -0.009 0.000 0.741 230 E HN 0.777 nan 8.360 nan 0.000 0.458 231 N N 0.446 119.141 118.700 -0.007 0.000 2.084 231 N HA -0.192 4.549 4.740 0.000 0.000 0.190 231 N C 1.569 177.091 175.510 0.020 0.000 1.030 231 N CA 1.946 54.996 53.050 -0.001 0.000 0.849 231 N CB -0.038 38.435 38.487 -0.022 0.000 1.012 231 N HN 0.096 nan 8.380 nan 0.000 0.423 232 D N 0.350 120.765 120.400 0.025 0.000 2.116 232 D HA -0.170 4.470 4.640 0.000 0.000 0.193 232 D C 1.966 178.280 176.300 0.023 0.000 0.998 232 D CA 1.179 55.207 54.000 0.046 0.000 0.836 232 D CB -0.321 40.502 40.800 0.038 0.000 0.951 232 D HN 0.477 nan 8.370 nan 0.000 0.449 233 I N 0.477 121.059 120.570 0.021 0.000 2.286 233 I HA -0.211 3.959 4.170 0.000 0.000 0.248 233 I C 2.511 178.632 176.117 0.007 0.000 1.115 233 I CA 0.922 62.238 61.300 0.028 0.000 1.392 233 I CB -0.133 37.908 38.000 0.068 0.000 1.065 233 I HN -0.089 nan 8.210 nan 0.000 0.418 234 R N 0.187 120.693 120.500 0.010 0.000 2.090 234 R HA -0.064 4.276 4.340 0.000 0.000 0.228 234 R C 2.312 178.594 176.300 -0.031 0.000 1.110 234 R CA 1.053 57.153 56.100 0.001 0.000 0.973 234 R CB -0.300 30.005 30.300 0.009 0.000 0.869 234 R HN 0.208 nan 8.270 nan 0.000 0.440 235 V N 1.242 121.145 119.914 -0.019 0.000 2.427 235 V HA -0.211 3.909 4.120 0.000 0.000 0.248 235 V C 1.952 177.971 176.094 -0.125 0.000 1.051 235 V CA 1.695 63.979 62.300 -0.025 0.000 1.048 235 V CB -0.461 31.393 31.823 0.051 0.000 0.666 235 V HN 0.326 nan 8.190 nan 0.000 0.456 236 E N -0.010 120.082 120.200 -0.179 0.000 2.038 236 E HA -0.277 4.073 4.350 0.000 0.000 0.195 236 E C 2.344 178.495 176.600 -0.749 0.000 1.000 236 E CA 1.638 57.788 56.400 -0.417 0.000 0.803 236 E CB -0.151 29.334 29.700 -0.359 0.000 0.750 236 E HN 0.646 nan 8.360 nan 0.000 0.448 237 E N 0.300 120.228 120.200 -0.453 0.000 2.038 237 E HA -0.212 4.138 4.350 0.000 0.000 0.195 237 E C 2.207 178.722 176.600 -0.142 0.000 1.000 237 E CA 1.666 57.908 56.400 -0.264 0.000 0.803 237 E CB -0.018 29.683 29.700 0.000 0.000 0.750 237 E HN 0.221 nan 8.360 nan 0.000 0.448 238 S N 0.552 116.195 115.700 -0.095 0.000 2.423 238 S HA -0.203 4.267 4.470 0.000 0.000 0.238 238 S C 2.017 176.593 174.600 -0.040 0.000 1.028 238 S CA 1.230 59.407 58.200 -0.039 0.000 1.000 238 S CB -0.639 62.544 63.200 -0.027 0.000 0.797 238 S HN 0.275 nan 8.310 nan 0.000 0.487 239 I N 0.037 120.539 120.570 -0.112 0.000 2.162 239 I HA -0.132 4.038 4.170 0.000 0.000 0.238 239 I C 2.468 178.621 176.117 0.059 0.000 1.076 239 I CA 1.425 62.686 61.300 -0.065 0.000 1.353 239 I CB -0.691 37.232 38.000 -0.128 0.000 1.063 239 I HN 0.207 nan 8.210 nan 0.000 0.408 240 Y N 1.436 121.742 120.300 0.010 0.000 2.081 240 Y HA -0.268 4.282 4.550 0.000 0.000 0.280 240 Y C 2.700 178.614 175.900 0.023 0.000 1.163 240 Y CA 0.813 58.924 58.100 0.019 0.000 1.135 240 Y CB -1.345 37.142 38.460 0.045 0.000 0.970 240 Y HN 0.262 nan 8.280 nan 0.000 0.498 241 Q N -1.045 118.874 119.800 0.198 0.000 2.515 241 Q HA -0.146 4.195 4.340 0.000 0.000 0.215 241 Q C 2.273 178.319 176.000 0.076 0.000 0.983 241 Q CA 0.919 56.791 55.803 0.116 0.000 0.905 241 Q CB -0.842 27.945 28.738 0.081 0.000 0.961 241 Q HN 0.537 nan 8.270 nan 0.000 0.503 242 C N -0.475 118.867 119.300 0.070 0.000 2.485 242 C HA 0.033 4.493 4.460 0.000 0.000 0.278 242 C C 1.641 176.657 174.990 0.044 0.000 1.356 242 C CA -0.814 58.230 59.018 0.043 0.000 1.747 242 C CB -0.425 27.332 27.740 0.029 0.000 2.001 242 C HN 0.424 nan 8.230 nan 0.000 0.501 243 C N 2.076 121.412 119.300 0.060 0.000 2.796 243 C HA 0.031 4.491 4.460 0.000 0.000 0.394 243 C C 0.668 175.682 174.990 0.039 0.000 1.276 243 C CA 0.021 59.067 59.018 0.045 0.000 2.038 243 C CB -0.308 27.463 27.740 0.050 0.000 2.709 243 C HN 0.528 nan 8.230 nan 0.000 0.709 244 D N 1.592 122.010 120.400 0.030 0.000 2.393 244 D HA 0.416 5.056 4.640 0.000 0.000 0.232 244 D C -0.828 175.492 176.300 0.033 0.000 1.192 244 D CA 0.193 54.210 54.000 0.028 0.000 0.882 244 D CB 0.032 40.845 40.800 0.021 0.000 1.038 244 D HN 0.390 nan 8.370 nan 0.000 0.499 245 L N 2.230 123.477 121.223 0.041 0.000 2.370 245 L HA 0.586 4.926 4.340 0.000 0.000 0.266 245 L C 0.546 177.447 176.870 0.051 0.000 1.002 245 L CA -1.269 53.600 54.840 0.049 0.000 0.818 245 L CB 1.879 43.975 42.059 0.061 0.000 1.325 245 L HN 0.311 nan 8.230 nan 0.000 0.418 246 A N 2.746 125.600 122.820 0.057 0.000 2.531 246 A HA 0.268 4.588 4.320 0.000 0.000 0.236 246 A C -1.751 175.874 177.584 0.067 0.000 1.062 246 A CA -0.663 51.410 52.037 0.060 0.000 0.760 246 A CB -0.193 18.849 19.000 0.070 0.000 0.995 246 A HN 0.656 nan 8.150 nan 0.000 0.501 247 P HA -0.174 nan 4.420 nan 0.000 0.216 247 P C 1.275 178.609 177.300 0.057 0.000 1.150 247 P CA 1.599 64.728 63.100 0.048 0.000 0.843 247 P CB 0.224 31.946 31.700 0.037 0.000 0.787 248 E N -0.750 119.502 120.200 0.086 0.000 2.150 248 E HA -0.150 4.200 4.350 0.000 0.000 0.193 248 E C 1.909 178.598 176.600 0.148 0.000 0.985 248 E CA 0.945 57.414 56.400 0.115 0.000 0.814 248 E CB -0.349 29.471 29.700 0.199 0.000 0.752 248 E HN 0.094 nan 8.360 nan 0.000 0.466 249 A N 0.925 123.849 122.820 0.172 0.000 1.968 249 A HA -0.116 4.204 4.320 0.000 0.000 0.217 249 A C 2.033 179.686 177.584 0.115 0.000 1.169 249 A CA 0.868 53.021 52.037 0.193 0.000 0.638 249 A CB -0.223 18.870 19.000 0.156 0.000 0.812 249 A HN 0.111 nan 8.150 nan 0.000 0.446 250 R N -0.942 119.605 120.500 0.077 0.000 2.066 250 R HA -0.159 4.181 4.340 0.000 0.000 0.232 250 R C 2.512 178.828 176.300 0.028 0.000 1.131 250 R CA 1.644 57.779 56.100 0.059 0.000 0.955 250 R CB -0.344 29.984 30.300 0.047 0.000 0.851 250 R HN 0.637 nan 8.270 nan 0.000 0.432 251 Q N 1.033 120.830 119.800 -0.005 0.000 2.002 251 Q HA -0.172 4.168 4.340 0.000 0.000 0.204 251 Q C 2.012 177.945 176.000 -0.110 0.000 0.988 251 Q CA 2.353 58.121 55.803 -0.059 0.000 0.843 251 Q CB -0.462 28.224 28.738 -0.087 0.000 0.908 251 Q HN 0.328 nan 8.270 nan 0.000 0.420 252 A N 0.272 122.987 122.820 -0.175 0.000 1.927 252 A HA -0.213 4.107 4.320 0.000 0.000 0.220 252 A C 2.181 179.704 177.584 -0.101 0.000 1.185 252 A CA 1.882 53.746 52.037 -0.288 0.000 0.639 252 A CB -0.950 17.789 19.000 -0.436 0.000 0.820 252 A HN 0.551 nan 8.150 nan 0.000 0.451 253 I N -0.854 119.725 120.570 0.015 0.000 2.315 253 I HA -0.224 3.947 4.170 0.000 0.000 0.248 253 I C 2.498 178.655 176.117 0.066 0.000 1.117 253 I CA 1.710 63.064 61.300 0.089 0.000 1.404 253 I CB -0.267 37.825 38.000 0.153 0.000 1.071 253 I HN 0.431 nan 8.210 nan 0.000 0.419 254 K N 0.767 121.181 120.400 0.024 0.000 2.026 254 K HA -0.205 4.115 4.320 0.000 0.000 0.208 254 K C 2.363 178.941 176.600 -0.036 0.000 1.048 254 K CA 1.856 58.148 56.287 0.010 0.000 0.929 254 K CB -0.120 32.376 32.500 -0.006 0.000 0.713 254 K HN 0.098 nan 8.250 nan 0.000 0.439 255 S N 0.661 116.311 115.700 -0.084 0.000 2.356 255 S HA -0.086 4.384 4.470 0.000 0.000 0.223 255 S C 1.974 176.480 174.600 -0.157 0.000 1.032 255 S CA 1.138 59.266 58.200 -0.121 0.000 1.005 255 S CB -0.316 62.781 63.200 -0.171 0.000 0.867 255 S HN 0.378 nan 8.310 nan 0.000 0.449 256 L N 0.730 121.833 121.223 -0.200 0.000 2.079 256 L HA -0.128 4.212 4.340 0.000 0.000 0.210 256 L C 2.739 179.312 176.870 -0.494 0.000 1.081 256 L CA 1.626 56.236 54.840 -0.385 0.000 0.752 256 L CB -1.148 40.656 42.059 -0.424 0.000 0.896 256 L HN 0.386 nan 8.230 nan 0.000 0.433 257 T N -1.035 113.393 114.554 -0.210 0.000 2.639 257 T HA -0.153 4.197 4.350 0.000 0.000 0.261 257 T C 1.762 176.437 174.700 -0.041 0.000 1.053 257 T CA 1.084 63.167 62.100 -0.027 0.000 1.158 257 T CB -0.145 68.793 68.868 0.118 0.000 0.863 257 T HN 0.242 nan 8.240 nan 0.000 0.413 258 E N 1.121 121.300 120.200 -0.035 0.000 2.171 258 E HA -0.109 4.241 4.350 0.000 0.000 0.197 258 E C 2.070 178.648 176.600 -0.036 0.000 0.997 258 E CA 1.175 57.561 56.400 -0.024 0.000 0.810 258 E CB -0.157 29.527 29.700 -0.026 0.000 0.738 258 E HN 0.476 nan 8.360 nan 0.000 0.467 259 R N -0.990 119.461 120.500 -0.081 0.000 2.397 259 R HA 0.188 4.528 4.340 0.000 0.000 0.241 259 R C 1.465 177.709 176.300 -0.093 0.000 0.914 259 R CA -0.008 56.049 56.100 -0.072 0.000 1.071 259 R CB 0.581 30.834 30.300 -0.079 0.000 1.116 259 R HN 0.021 nan 8.270 nan 0.000 0.524 260 L N -2.421 118.716 121.223 -0.143 0.000 2.511 260 L HA 0.206 4.546 4.340 0.000 0.000 0.173 260 L C 1.010 177.887 176.870 0.012 0.000 1.160 260 L CA 0.605 55.369 54.840 -0.126 0.000 0.964 260 L CB -0.281 41.642 42.059 -0.227 0.000 1.892 260 L HN -0.168 nan 8.230 nan 0.000 0.497 261 Y N 0.640 120.959 120.300 0.032 0.000 2.128 261 Y HA -0.129 4.422 4.550 0.000 0.000 0.284 261 Y C 2.702 178.610 175.900 0.012 0.000 1.154 261 Y CA 1.671 59.797 58.100 0.042 0.000 1.149 261 Y CB -0.995 37.514 38.460 0.082 0.000 0.976 261 Y HN 0.150 nan 8.280 nan 0.000 0.505 262 I N -1.015 119.651 120.570 0.161 0.000 2.264 262 I HA -0.149 4.022 4.170 0.000 0.000 0.248 262 I C 1.198 177.330 176.117 0.026 0.000 1.111 262 I CA 1.602 62.950 61.300 0.079 0.000 1.382 262 I CB -0.336 37.700 38.000 0.060 0.000 1.060 262 I HN 0.352 nan 8.210 nan 0.000 0.418 263 G N -1.394 107.399 108.800 -0.012 0.000 2.315 263 G HA2 0.490 4.450 3.960 0.000 0.000 0.294 263 G HA3 0.490 4.450 3.960 0.000 0.000 0.294 263 G C -1.035 173.690 174.900 -0.291 0.000 1.300 263 G CA -0.084 44.933 45.100 -0.137 0.000 0.843 263 G HN 0.420 nan 8.290 nan 0.000 0.527 264 G N -0.871 107.455 108.800 -0.790 0.000 2.328 264 G HA2 0.663 4.623 3.960 0.000 0.000 0.299 264 G HA3 0.663 4.623 3.960 0.000 0.000 0.299 264 G C -3.471 170.896 174.900 -0.888 0.000 1.435 264 G CA -0.002 44.647 45.100 -0.751 0.000 0.865 264 G HN 0.760 nan 8.290 nan 0.000 0.601 265 P HA 0.389 nan 4.420 nan 0.000 0.276 265 P C -0.366 176.849 177.300 -0.141 0.000 1.230 265 P CA -0.124 62.854 63.100 -0.204 0.000 0.776 265 P CB 1.198 32.887 31.700 -0.018 0.000 0.888 266 L N 3.287 124.463 121.223 -0.078 0.000 2.264 266 L HA 0.396 4.736 4.340 0.000 0.000 0.289 266 L C 0.619 177.505 176.870 0.026 0.000 1.044 266 L CA -0.138 54.694 54.840 -0.013 0.000 0.807 266 L CB 1.032 43.123 42.059 0.054 0.000 1.192 266 L HN 0.298 nan 8.230 nan 0.000 0.425 267 T N 1.660 116.208 114.554 -0.009 0.000 2.792 267 T HA 0.306 4.656 4.350 0.000 0.000 0.280 267 T C -0.106 174.590 174.700 -0.006 0.000 0.990 267 T CA -0.882 61.213 62.100 -0.008 0.000 0.960 267 T CB 1.320 70.160 68.868 -0.048 0.000 0.939 267 T HN 0.635 nan 8.240 nan 0.000 0.439 268 N N 0.895 119.608 118.700 0.022 0.000 2.327 268 N HA 0.101 4.841 4.740 0.000 0.000 0.257 268 N C 1.252 176.766 175.510 0.007 0.000 1.281 268 N CA -0.491 52.574 53.050 0.026 0.000 0.942 268 N CB 0.170 38.677 38.487 0.034 0.000 1.199 268 N HN 0.443 nan 8.380 nan 0.000 0.532 269 S N -2.140 113.573 115.700 0.021 0.000 2.595 269 S HA -0.010 4.460 4.470 0.000 0.000 0.235 269 S C 0.542 175.144 174.600 0.004 0.000 0.974 269 S CA 0.418 58.629 58.200 0.017 0.000 0.942 269 S CB -0.550 62.672 63.200 0.037 0.000 0.766 269 S HN 0.629 nan 8.310 nan 0.000 0.536 270 K N -0.121 120.281 120.400 0.003 0.000 2.447 270 K HA 0.346 4.666 4.320 0.000 0.000 0.205 270 K C 1.107 177.705 176.600 -0.004 0.000 1.059 270 K CA 0.281 56.569 56.287 0.001 0.000 1.065 270 K CB 0.743 33.248 32.500 0.007 0.000 0.885 270 K HN 0.412 nan 8.250 nan 0.000 0.545 271 G N 1.635 110.429 108.800 -0.010 0.000 2.195 271 G HA2 -0.296 3.664 3.960 0.000 0.000 0.246 271 G HA3 -0.296 3.664 3.960 0.000 0.000 0.246 271 G C 0.067 174.969 174.900 0.002 0.000 0.984 271 G CA -0.049 45.044 45.100 -0.012 0.000 0.633 271 G HN 0.322 nan 8.290 nan 0.000 0.525 272 Q N 0.198 120.006 119.800 0.013 0.000 2.443 272 Q HA 0.347 4.687 4.340 0.000 0.000 0.232 272 Q C 0.382 176.404 176.000 0.037 0.000 1.026 272 Q CA -0.118 55.701 55.803 0.026 0.000 0.924 272 Q CB 0.577 29.334 28.738 0.031 0.000 1.256 272 Q HN 0.443 nan 8.270 nan 0.000 0.519 273 N N 0.209 118.939 118.700 0.051 0.000 2.419 273 N HA 0.130 4.870 4.740 0.000 0.000 0.277 273 N C -0.406 175.170 175.510 0.110 0.000 1.006 273 N CA -0.534 52.557 53.050 0.069 0.000 0.923 273 N CB 0.820 39.347 38.487 0.065 0.000 1.140 273 N HN 0.548 nan 8.380 nan 0.000 0.488 274 C N 2.614 122.006 119.300 0.154 0.000 2.674 274 C HA 0.459 4.919 4.460 0.000 0.000 0.276 274 C C 1.244 176.447 174.990 0.355 0.000 1.300 274 C CA 0.425 59.612 59.018 0.281 0.000 1.732 274 C CB -0.895 27.064 27.740 0.365 0.000 2.076 274 C HN 0.948 nan 8.230 nan 0.000 0.548 275 G N -1.192 107.713 108.800 0.174 0.000 2.373 275 G HA2 0.279 4.239 3.960 0.000 0.000 0.250 275 G HA3 0.279 4.239 3.960 0.000 0.000 0.250 275 G C -2.118 172.796 174.900 0.024 0.000 1.304 275 G CA -0.402 44.738 45.100 0.067 0.000 0.948 275 G HN 0.035 nan 8.290 nan 0.000 0.474 276 Y N 0.962 121.138 120.300 -0.207 0.000 2.457 276 Y HA 0.761 5.311 4.550 0.000 0.000 0.343 276 Y C 0.092 175.852 175.900 -0.233 0.000 0.994 276 Y CA -0.867 57.132 58.100 -0.168 0.000 1.031 276 Y CB 1.881 40.263 38.460 -0.129 0.000 1.246 276 Y HN 0.711 nan 8.280 nan 0.000 0.449 277 R N 5.017 125.271 120.500 -0.409 0.000 2.407 277 R HA 0.544 4.885 4.340 0.000 0.000 0.303 277 R C -0.759 175.364 176.300 -0.294 0.000 0.981 277 R CA -0.568 55.309 56.100 -0.371 0.000 0.905 277 R CB 0.933 31.077 30.300 -0.260 0.000 1.099 277 R HN 0.939 nan 8.270 nan 0.000 0.459 278 R N 3.096 123.402 120.500 -0.324 0.000 2.659 278 R HA 0.210 4.550 4.340 0.000 0.000 0.418 278 R C -0.459 175.700 176.300 -0.235 0.000 1.076 278 R CA -0.300 55.701 56.100 -0.165 0.000 1.093 278 R CB 0.456 30.697 30.300 -0.098 0.000 1.400 278 R HN 0.811 nan 8.270 nan 0.000 0.583 279 C N -1.956 117.158 119.300 -0.311 0.000 3.274 279 C HA 0.598 5.058 4.460 0.000 0.000 0.371 279 C C -0.280 174.642 174.990 -0.114 0.000 2.432 279 C CA -1.463 57.415 59.018 -0.233 0.000 1.291 279 C CB 1.015 28.549 27.740 -0.344 0.000 2.851 279 C HN 0.296 nan 8.230 nan 0.000 0.456 280 R N 1.239 121.716 120.500 -0.039 0.000 2.484 280 R HA 0.491 4.831 4.340 0.000 0.000 0.293 280 R C 0.125 176.478 176.300 0.088 0.000 1.023 280 R CA 0.928 57.058 56.100 0.049 0.000 1.037 280 R CB -0.107 30.256 30.300 0.105 0.000 0.951 280 R HN 1.132 nan 8.270 nan 0.000 0.418 281 A N 3.488 126.372 122.820 0.107 0.000 2.401 281 A HA 0.223 4.543 4.320 0.000 0.000 0.259 281 A C 0.964 178.641 177.584 0.155 0.000 1.103 281 A CA 0.114 52.235 52.037 0.141 0.000 0.789 281 A CB 0.466 19.564 19.000 0.165 0.000 1.035 281 A HN 1.015 nan 8.150 nan 0.000 0.491 282 S N 1.989 117.796 115.700 0.178 0.000 2.446 282 S HA 0.055 4.525 4.470 0.000 0.000 0.225 282 S C 1.261 175.955 174.600 0.155 0.000 1.016 282 S CA 0.770 59.070 58.200 0.167 0.000 0.943 282 S CB -0.018 63.285 63.200 0.173 0.000 0.786 282 S HN 1.180 nan 8.310 nan 0.000 0.508 283 G N 2.211 111.128 108.800 0.196 0.000 3.609 283 G HA2 0.481 4.442 3.960 0.000 0.000 0.280 283 G HA3 0.481 4.442 3.960 0.000 0.000 0.280 283 G C 0.233 175.260 174.900 0.212 0.000 1.155 283 G CA 0.006 45.227 45.100 0.201 0.000 0.876 283 G HN 0.524 nan 8.290 nan 0.000 0.535 284 V N -2.515 117.507 119.914 0.180 0.000 3.211 284 V HA 0.559 4.679 4.120 0.000 0.000 0.319 284 V C 1.554 177.724 176.094 0.127 0.000 1.096 284 V CA -0.871 61.548 62.300 0.198 0.000 1.029 284 V CB 1.532 33.500 31.823 0.243 0.000 1.137 284 V HN 0.027 nan 8.190 nan 0.000 0.453 285 L N 1.782 123.092 121.223 0.146 0.000 2.141 285 L HA 0.010 4.351 4.340 0.000 0.000 0.209 285 L C 2.161 179.057 176.870 0.044 0.000 1.094 285 L CA 2.798 57.707 54.840 0.116 0.000 0.763 285 L CB -0.770 41.383 42.059 0.157 0.000 0.908 285 L HN 1.071 nan 8.230 nan 0.000 0.437 286 T N -5.736 108.762 114.554 -0.093 0.000 3.188 286 T HA 0.056 4.406 4.350 0.000 0.000 0.250 286 T C 1.459 176.108 174.700 -0.085 0.000 1.077 286 T CA 0.562 62.576 62.100 -0.143 0.000 0.967 286 T CB -0.635 68.031 68.868 -0.337 0.000 1.006 286 T HN 0.220 nan 8.240 nan 0.000 0.552 287 T N 1.809 116.342 114.554 -0.034 0.000 2.708 287 T HA -0.129 4.221 4.350 0.000 0.000 0.266 287 T C 2.213 176.949 174.700 0.059 0.000 1.037 287 T CA 1.755 63.871 62.100 0.027 0.000 1.146 287 T CB -0.532 68.374 68.868 0.064 0.000 0.865 287 T HN 0.549 nan 8.240 nan 0.000 0.435 288 S N -0.244 115.479 115.700 0.039 0.000 2.357 288 S HA -0.128 4.342 4.470 0.000 0.000 0.221 288 S C 2.447 177.103 174.600 0.094 0.000 1.031 288 S CA 1.278 59.511 58.200 0.056 0.000 0.982 288 S CB -0.931 62.228 63.200 -0.068 0.000 0.853 288 S HN 0.656 nan 8.310 nan 0.000 0.458 289 C N 1.329 120.656 119.300 0.045 0.000 2.413 289 C HA 0.045 4.506 4.460 0.000 0.000 0.278 289 C C 2.884 177.927 174.990 0.090 0.000 1.224 289 C CA 1.341 60.392 59.018 0.054 0.000 1.732 289 C CB -1.777 25.966 27.740 0.006 0.000 2.050 289 C HN 0.707 nan 8.230 nan 0.000 0.463 290 G N 0.364 109.230 108.800 0.110 0.000 2.440 290 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 290 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 290 G C 1.489 176.471 174.900 0.136 0.000 1.154 290 G CA 1.172 46.340 45.100 0.113 0.000 0.767 290 G HN 0.617 nan 8.290 nan 0.000 0.552 291 N N 0.540 119.333 118.700 0.154 0.000 2.043 291 N HA -0.098 4.642 4.740 0.000 0.000 0.193 291 N C 2.453 178.007 175.510 0.074 0.000 1.037 291 N CA 1.788 54.949 53.050 0.185 0.000 0.851 291 N CB -0.993 37.536 38.487 0.070 0.000 1.027 291 N HN 0.234 nan 8.380 nan 0.000 0.422 292 T N 1.892 116.485 114.554 0.064 0.000 2.699 292 T HA -0.106 4.244 4.350 0.000 0.000 0.268 292 T C 2.116 176.872 174.700 0.092 0.000 1.036 292 T CA 0.916 63.056 62.100 0.067 0.000 1.147 292 T CB -0.404 68.558 68.868 0.158 0.000 0.862 292 T HN 0.134 nan 8.240 nan 0.000 0.446 293 L N 0.639 121.907 121.223 0.075 0.000 1.994 293 L HA -0.132 4.208 4.340 0.000 0.000 0.208 293 L C 2.971 179.916 176.870 0.126 0.000 1.071 293 L CA 1.501 56.380 54.840 0.064 0.000 0.745 293 L CB -1.075 40.994 42.059 0.017 0.000 0.892 293 L HN 0.284 nan 8.230 nan 0.000 0.431 294 T N -1.677 112.968 114.554 0.151 0.000 2.833 294 T HA -0.226 4.125 4.350 0.000 0.000 0.269 294 T C 1.966 176.821 174.700 0.258 0.000 1.054 294 T CA 1.288 63.504 62.100 0.193 0.000 1.135 294 T CB -0.554 68.473 68.868 0.266 0.000 0.869 294 T HN 0.470 nan 8.240 nan 0.000 0.466 295 C N 0.602 120.072 119.300 0.283 0.000 2.466 295 C HA 0.015 4.476 4.460 0.000 0.000 0.278 295 C C 2.394 177.477 174.990 0.156 0.000 1.288 295 C CA 0.103 59.268 59.018 0.245 0.000 1.722 295 C CB -1.368 26.378 27.740 0.011 0.000 2.017 295 C HN 0.644 nan 8.230 nan 0.000 0.488 296 Y N 1.224 121.539 120.300 0.025 0.000 2.224 296 Y HA -0.081 4.469 4.550 0.001 0.000 0.289 296 Y C 2.101 177.977 175.900 -0.041 0.000 1.146 296 Y CA 2.056 60.154 58.100 -0.004 0.000 1.182 296 Y CB -0.436 38.013 38.460 -0.020 0.000 0.983 296 Y HN 0.352 nan 8.280 nan 0.000 0.524 297 L N 0.900 122.103 121.223 -0.034 0.000 2.044 297 L HA -0.083 4.257 4.340 0.000 0.000 0.205 297 L C 2.019 178.688 176.870 -0.335 0.000 1.075 297 L CA 1.828 56.533 54.840 -0.225 0.000 0.747 297 L CB -0.820 41.107 42.059 -0.221 0.000 0.903 297 L HN 0.067 nan 8.230 nan 0.000 0.435 298 K N -0.126 120.154 120.400 -0.201 0.000 2.148 298 K HA -0.036 4.284 4.320 0.000 0.000 0.204 298 K C 2.058 178.554 176.600 -0.173 0.000 1.050 298 K CA 1.192 57.349 56.287 -0.217 0.000 0.942 298 K CB -0.325 32.200 32.500 0.041 0.000 0.724 298 K HN 0.507 nan 8.250 nan 0.000 0.446 299 A N 1.104 123.849 122.820 -0.125 0.000 1.872 299 A HA -0.100 4.220 4.320 0.000 0.000 0.214 299 A C 2.266 179.794 177.584 -0.093 0.000 1.187 299 A CA 1.532 53.531 52.037 -0.065 0.000 0.614 299 A CB -0.468 18.559 19.000 0.045 0.000 0.826 299 A HN 0.131 nan 8.150 nan 0.000 0.442 300 S N 0.018 115.547 115.700 -0.285 0.000 2.356 300 S HA -0.064 4.407 4.470 0.000 0.000 0.223 300 S C 2.352 176.845 174.600 -0.179 0.000 1.032 300 S CA 1.275 59.306 58.200 -0.282 0.000 1.005 300 S CB -0.561 62.348 63.200 -0.484 0.000 0.867 300 S HN 0.789 nan 8.310 nan 0.000 0.449 301 A N 1.954 124.641 122.820 -0.222 0.000 1.859 301 A HA -0.044 4.276 4.320 0.000 0.000 0.217 301 A C 2.419 179.977 177.584 -0.043 0.000 1.198 301 A CA 2.086 54.036 52.037 -0.144 0.000 0.629 301 A CB -1.462 17.363 19.000 -0.290 0.000 0.830 301 A HN 0.562 nan 8.150 nan 0.000 0.446 302 A N -1.413 121.396 122.820 -0.019 0.000 1.997 302 A HA -0.266 4.054 4.320 0.000 0.000 0.221 302 A C 2.353 179.876 177.584 -0.103 0.000 1.172 302 A CA 1.936 53.872 52.037 -0.169 0.000 0.645 302 A CB -1.459 17.065 19.000 -0.793 0.000 0.813 302 A HN 0.673 nan 8.150 nan 0.000 0.454 303 c N -0.906 117.747 118.600 0.089 0.000 2.436 303 c HA -0.118 4.452 4.570 0.000 0.000 0.277 303 c C 2.969 177.080 174.090 0.034 0.000 1.241 303 c CA 1.317 57.794 56.329 0.246 0.000 1.721 303 c CB -1.232 41.384 42.510 0.177 0.000 2.043 303 c HN 0.678 nan 8.230 nan 0.000 0.472 304 R N 0.814 121.232 120.500 -0.137 0.000 2.083 304 R HA -0.137 4.204 4.340 0.000 0.000 0.237 304 R C 2.316 178.371 176.300 -0.409 0.000 1.137 304 R CA 1.690 57.582 56.100 -0.347 0.000 0.951 304 R CB -0.668 29.253 30.300 -0.632 0.000 0.851 304 R HN 0.569 nan 8.270 nan 0.000 0.434 305 A N 1.159 123.775 122.820 -0.341 0.000 2.024 305 A HA -0.075 4.246 4.320 0.000 0.000 0.220 305 A C 2.129 179.717 177.584 0.007 0.000 1.164 305 A CA 1.696 53.704 52.037 -0.047 0.000 0.643 305 A CB -0.342 18.707 19.000 0.081 0.000 0.806 305 A HN 0.413 nan 8.150 nan 0.000 0.451 306 A N -1.463 121.368 122.820 0.019 0.000 2.308 306 A HA 0.383 4.703 4.320 0.000 0.000 0.217 306 A C 0.853 178.460 177.584 0.039 0.000 1.216 306 A CA 0.438 52.514 52.037 0.065 0.000 0.864 306 A CB -0.315 18.792 19.000 0.178 0.000 0.902 306 A HN 0.424 nan 8.150 nan 0.000 0.499 307 K N -1.179 119.227 120.400 0.010 0.000 3.278 307 K HA -0.171 4.149 4.320 0.000 0.000 0.270 307 K C -0.943 175.664 176.600 0.012 0.000 0.955 307 K CA 0.199 56.490 56.287 0.006 0.000 0.723 307 K CB -1.565 30.944 32.500 0.015 0.000 1.382 307 K HN 0.325 nan 8.250 nan 0.000 0.461 308 L N 2.160 123.397 121.223 0.024 0.000 2.283 308 L HA 0.086 4.426 4.340 0.000 0.000 0.287 308 L C 0.520 177.397 176.870 0.012 0.000 1.073 308 L CA 0.290 55.143 54.840 0.023 0.000 0.822 308 L CB 1.070 43.164 42.059 0.058 0.000 1.186 308 L HN 0.125 nan 8.230 nan 0.000 0.436 309 Q N 3.668 123.467 119.800 -0.000 0.000 2.274 309 Q HA -0.010 4.331 4.340 0.000 0.000 0.280 309 Q C -0.080 175.912 176.000 -0.013 0.000 1.047 309 Q CA 0.176 55.974 55.803 -0.008 0.000 0.907 309 Q CB 0.252 28.981 28.738 -0.015 0.000 1.171 309 Q HN 0.491 nan 8.270 nan 0.000 0.381 310 D N 1.370 121.763 120.400 -0.012 0.000 3.133 310 D HA -0.165 4.475 4.640 0.000 0.000 0.239 310 D C -1.181 175.111 176.300 -0.012 0.000 1.136 310 D CA 0.170 54.160 54.000 -0.017 0.000 0.898 310 D CB -0.804 39.974 40.800 -0.037 0.000 0.959 310 D HN 0.549 nan 8.370 nan 0.000 0.415 311 c N 2.396 120.998 118.600 0.004 0.000 2.464 311 c HA 0.524 5.094 4.570 0.000 0.000 0.370 311 c C 0.832 174.930 174.090 0.015 0.000 1.267 311 c CA -0.182 56.154 56.329 0.013 0.000 1.781 311 c CB 0.231 42.756 42.510 0.025 0.000 2.431 311 c HN 0.424 nan 8.230 nan 0.000 0.556 312 T N 5.895 120.452 114.554 0.005 0.000 2.848 312 T HA 0.632 4.982 4.350 0.000 0.000 0.285 312 T C -0.415 174.307 174.700 0.037 0.000 0.995 312 T CA -0.321 61.800 62.100 0.036 0.000 0.970 312 T CB 1.141 70.003 68.868 -0.010 0.000 0.976 312 T HN 0.554 nan 8.240 nan 0.000 0.441 313 M N 2.686 122.360 119.600 0.123 0.000 2.619 313 M HA 0.669 5.149 4.480 0.000 0.000 0.297 313 M C -1.599 174.840 176.300 0.231 0.000 1.229 313 M CA -1.154 54.212 55.300 0.111 0.000 0.860 313 M CB 2.445 35.087 32.600 0.069 0.000 1.741 313 M HN 0.345 nan 8.290 nan 0.000 0.462 314 L N 2.056 123.373 121.223 0.156 0.000 2.372 314 L HA 0.705 5.045 4.340 0.000 0.000 0.274 314 L C -1.675 175.204 176.870 0.014 0.000 0.988 314 L CA -0.471 54.462 54.840 0.156 0.000 0.833 314 L CB 1.721 43.912 42.059 0.220 0.000 1.236 314 L HN 0.499 nan 8.230 nan 0.000 0.410 315 V N 4.575 124.469 119.914 -0.034 0.000 2.444 315 V HA 0.517 4.637 4.120 0.000 0.000 0.294 315 V C -0.569 175.335 176.094 -0.318 0.000 1.022 315 V CA -0.585 61.657 62.300 -0.096 0.000 0.850 315 V CB 1.805 33.658 31.823 0.051 0.000 0.992 315 V HN 0.759 nan 8.190 nan 0.000 0.426 316 N N 4.066 122.504 118.700 -0.438 0.000 2.800 316 N HA 0.591 5.331 4.740 0.000 0.000 0.240 316 N C 0.696 175.957 175.510 -0.415 0.000 1.096 316 N CA 0.707 53.229 53.050 -0.879 0.000 0.877 316 N CB 1.491 39.401 38.487 -0.962 0.000 1.138 316 N HN 1.017 nan 8.380 nan 0.000 0.509 317 G N 2.139 110.845 108.800 -0.156 0.000 2.574 317 G HA2 -0.403 3.558 3.960 0.000 0.000 0.301 317 G HA3 -0.403 3.558 3.960 0.000 0.000 0.301 317 G C 0.623 175.363 174.900 -0.267 0.000 1.166 317 G CA 0.628 45.709 45.100 -0.033 0.000 0.971 317 G HN 0.573 nan 8.290 nan 0.000 0.542 318 D N 1.422 121.614 120.400 -0.346 0.000 2.340 318 D HA 0.062 4.702 4.640 0.000 0.000 0.220 318 D C 0.309 176.442 176.300 -0.278 0.000 1.039 318 D CA 0.798 54.418 54.000 -0.635 0.000 0.866 318 D CB -0.106 40.395 40.800 -0.499 0.000 0.913 318 D HN 0.410 nan 8.370 nan 0.000 0.523 319 D N 0.858 121.153 120.400 -0.175 0.000 2.277 319 D HA 0.254 4.894 4.640 0.000 0.000 0.249 319 D C -0.981 175.271 176.300 -0.080 0.000 1.134 319 D CA -0.484 53.457 54.000 -0.098 0.000 0.863 319 D CB 1.203 41.935 40.800 -0.113 0.000 1.143 319 D HN 0.050 nan 8.370 nan 0.000 0.458 320 L N 5.140 126.362 121.223 -0.002 0.000 2.385 320 L HA 0.531 4.872 4.340 0.000 0.000 0.273 320 L C -1.611 175.236 176.870 -0.037 0.000 0.990 320 L CA -0.778 54.073 54.840 0.018 0.000 0.821 320 L CB 1.849 43.995 42.059 0.144 0.000 1.279 320 L HN 0.149 nan 8.230 nan 0.000 0.412 321 V N 6.057 125.903 119.914 -0.112 0.000 2.686 321 V HA 0.805 4.925 4.120 0.000 0.000 0.306 321 V C -1.634 174.271 176.094 -0.315 0.000 1.065 321 V CA -0.305 61.864 62.300 -0.219 0.000 0.894 321 V CB 2.288 34.038 31.823 -0.122 0.000 1.004 321 V HN 0.576 nan 8.190 nan 0.000 0.424 322 V N 7.673 127.198 119.914 -0.648 0.000 2.588 322 V HA 0.611 4.731 4.120 0.000 0.000 0.304 322 V C -0.380 175.489 176.094 -0.376 0.000 1.042 322 V CA -0.461 61.476 62.300 -0.604 0.000 0.877 322 V CB 1.834 33.066 31.823 -0.985 0.000 0.996 322 V HN 0.784 nan 8.190 nan 0.000 0.425 323 I N 4.910 125.389 120.570 -0.151 0.000 2.439 323 I HA 0.610 4.780 4.170 0.000 0.000 0.285 323 I C 0.055 176.126 176.117 -0.076 0.000 1.021 323 I CA -0.247 61.013 61.300 -0.067 0.000 1.091 323 I CB 1.524 39.504 38.000 -0.033 0.000 1.242 323 I HN 0.922 nan 8.210 nan 0.000 0.439 324 C N 2.700 121.959 119.300 -0.067 0.000 3.387 324 C HA 0.603 5.063 4.460 0.000 0.000 0.361 324 C C -0.462 174.460 174.990 -0.112 0.000 3.137 324 C CA -0.825 58.154 59.018 -0.066 0.000 1.405 324 C CB 1.610 29.351 27.740 0.001 0.000 3.576 324 C HN 0.551 nan 8.230 nan 0.000 0.496 325 E N 1.795 121.950 120.200 -0.074 0.000 2.200 325 E HA 0.394 4.744 4.350 0.000 0.000 0.283 325 E C -0.022 176.553 176.600 -0.040 0.000 1.015 325 E CA 0.389 56.742 56.400 -0.079 0.000 0.819 325 E CB 1.810 31.474 29.700 -0.060 0.000 1.081 325 E HN 0.664 nan 8.360 nan 0.000 0.397 326 S N 1.699 117.383 115.700 -0.027 0.000 2.606 326 S HA 0.402 4.873 4.470 0.000 0.000 0.257 326 S C 0.086 174.692 174.600 0.010 0.000 1.327 326 S CA 0.342 58.570 58.200 0.047 0.000 0.984 326 S CB 0.482 63.754 63.200 0.121 0.000 0.941 326 S HN 0.546 nan 8.310 nan 0.000 0.576 327 A N 0.955 123.787 122.820 0.019 0.000 3.066 327 A HA 0.582 4.902 4.320 0.000 0.000 0.194 327 A C 0.339 177.917 177.584 -0.011 0.000 0.972 327 A CA 0.198 52.231 52.037 -0.006 0.000 1.183 327 A CB -0.462 18.535 19.000 -0.006 0.000 1.269 327 A HN 2.030 nan 8.150 nan 0.000 0.567 328 G N -0.321 108.461 108.800 -0.030 0.000 3.322 328 G HA2 0.069 4.029 3.960 0.000 0.000 0.686 328 G HA3 0.069 4.029 3.960 0.000 0.000 0.686 328 G C 0.484 175.368 174.900 -0.028 0.000 1.015 328 G CA 0.030 45.100 45.100 -0.049 0.000 0.826 328 G HN 0.798 nan 8.290 nan 0.000 0.538 329 T N 1.683 116.187 114.554 -0.084 0.000 2.620 329 T HA -0.247 4.103 4.350 0.000 0.000 0.267 329 T C 2.422 177.143 174.700 0.036 0.000 1.044 329 T CA 2.177 64.265 62.100 -0.020 0.000 1.161 329 T CB -0.156 68.665 68.868 -0.079 0.000 0.862 329 T HN 0.627 nan 8.240 nan 0.000 0.438 330 Q N 0.111 119.912 119.800 0.003 0.000 2.167 330 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 330 Q C 2.348 178.352 176.000 0.005 0.000 0.970 330 Q CA 1.124 56.931 55.803 0.006 0.000 0.855 330 Q CB -0.239 28.497 28.738 -0.004 0.000 0.911 330 Q HN 0.516 nan 8.270 nan 0.000 0.438 331 E N 0.856 121.057 120.200 0.002 0.000 2.216 331 E HA -0.109 4.242 4.350 0.000 0.000 0.192 331 E C 1.152 177.752 176.600 -0.001 0.000 0.988 331 E CA 0.809 57.208 56.400 -0.001 0.000 0.834 331 E CB 0.164 29.861 29.700 -0.005 0.000 0.772 331 E HN 0.201 nan 8.360 nan 0.000 0.479 332 D N 0.056 120.467 120.400 0.018 0.000 2.091 332 D HA -0.070 4.570 4.640 0.000 0.000 0.199 332 D C 1.797 178.073 176.300 -0.041 0.000 0.980 332 D CA 1.516 55.517 54.000 0.003 0.000 0.831 332 D CB -0.535 40.316 40.800 0.084 0.000 0.987 332 D HN 0.279 nan 8.370 nan 0.000 0.460 333 A N 1.351 124.166 122.820 -0.009 0.000 2.042 333 A HA -0.190 4.130 4.320 0.000 0.000 0.222 333 A C 2.248 179.810 177.584 -0.036 0.000 1.167 333 A CA 2.391 54.411 52.037 -0.028 0.000 0.649 333 A CB -0.618 18.385 19.000 0.004 0.000 0.809 333 A HN 0.266 nan 8.150 nan 0.000 0.457 334 A N -0.368 122.438 122.820 -0.024 0.000 1.832 334 A HA -0.048 4.272 4.320 0.000 0.000 0.214 334 A C 2.435 180.005 177.584 -0.024 0.000 1.200 334 A CA 2.031 54.058 52.037 -0.017 0.000 0.610 334 A CB -1.159 17.835 19.000 -0.009 0.000 0.842 334 A HN 0.551 nan 8.150 nan 0.000 0.444 335 S N 0.402 116.081 115.700 -0.036 0.000 2.372 335 S HA -0.230 4.240 4.470 0.000 0.000 0.227 335 S C 1.853 176.427 174.600 -0.044 0.000 1.044 335 S CA 1.731 59.910 58.200 -0.036 0.000 1.050 335 S CB -0.736 62.428 63.200 -0.060 0.000 0.901 335 S HN 0.454 nan 8.310 nan 0.000 0.447 336 L N 0.898 122.035 121.223 -0.142 0.000 1.990 336 L HA -0.193 4.147 4.340 0.000 0.000 0.213 336 L C 2.857 179.734 176.870 0.011 0.000 1.072 336 L CA 1.568 56.297 54.840 -0.184 0.000 0.755 336 L CB -0.478 41.402 42.059 -0.298 0.000 0.889 336 L HN 0.279 nan 8.230 nan 0.000 0.432 337 R N -0.806 119.696 120.500 0.003 0.000 2.103 337 R HA -0.175 4.165 4.340 0.000 0.000 0.242 337 R C 2.155 178.483 176.300 0.047 0.000 1.142 337 R CA 1.498 57.617 56.100 0.033 0.000 0.960 337 R CB -0.563 29.745 30.300 0.013 0.000 0.858 337 R HN 0.218 nan 8.270 nan 0.000 0.439 338 V N 0.525 120.463 119.914 0.040 0.000 2.270 338 V HA -0.244 3.876 4.120 0.000 0.000 0.245 338 V C 1.915 178.040 176.094 0.053 0.000 1.043 338 V CA 1.820 64.140 62.300 0.033 0.000 1.014 338 V CB -0.599 31.242 31.823 0.030 0.000 0.645 338 V HN 0.214 nan 8.190 nan 0.000 0.447 339 F N 1.517 121.426 119.950 -0.067 0.000 2.063 339 F HA -0.303 4.224 4.527 -0.000 0.000 0.298 339 F C 2.481 178.241 175.800 -0.066 0.000 1.109 339 F CA 2.581 60.540 58.000 -0.069 0.000 1.212 339 F CB -0.722 38.217 39.000 -0.102 0.000 0.973 339 F HN 0.151 nan 8.300 nan 0.000 0.480 340 T N 0.002 114.712 114.554 0.259 0.000 2.635 340 T HA -0.261 4.089 4.350 0.000 0.000 0.267 340 T C 1.733 176.452 174.700 0.032 0.000 1.040 340 T CA 1.902 64.135 62.100 0.222 0.000 1.156 340 T CB -0.489 68.540 68.868 0.269 0.000 0.863 340 T HN 0.397 nan 8.240 nan 0.000 0.430 341 E N 0.888 121.086 120.200 -0.003 0.000 2.049 341 E HA -0.162 4.189 4.350 0.000 0.000 0.198 341 E C 2.571 179.064 176.600 -0.179 0.000 1.007 341 E CA 1.158 57.518 56.400 -0.066 0.000 0.809 341 E CB -0.308 29.360 29.700 -0.053 0.000 0.749 341 E HN 0.494 nan 8.360 nan 0.000 0.450 342 A N 1.017 123.689 122.820 -0.246 0.000 1.908 342 A HA -0.237 4.083 4.320 0.000 0.000 0.218 342 A C 2.151 179.357 177.584 -0.631 0.000 1.181 342 A CA 1.587 53.354 52.037 -0.449 0.000 0.627 342 A CB -0.404 18.394 19.000 -0.337 0.000 0.818 342 A HN 0.154 nan 8.150 nan 0.000 0.445 343 M N -0.333 119.031 119.600 -0.394 0.000 2.117 343 M HA -0.120 4.360 4.480 0.000 0.000 0.262 343 M C 2.204 178.446 176.300 -0.098 0.000 1.065 343 M CA 2.150 57.338 55.300 -0.187 0.000 1.114 343 M CB -2.014 30.436 32.600 -0.250 0.000 1.361 343 M HN 0.489 nan 8.290 nan 0.000 0.408 344 T N 0.078 114.574 114.554 -0.098 0.000 2.759 344 T HA -0.147 4.204 4.350 0.000 0.000 0.269 344 T C 1.962 176.595 174.700 -0.112 0.000 1.042 344 T CA 1.161 63.229 62.100 -0.053 0.000 1.140 344 T CB -0.260 68.586 68.868 -0.038 0.000 0.864 344 T HN 0.390 nan 8.240 nan 0.000 0.455 345 R N -0.102 120.244 120.500 -0.257 0.000 2.115 345 R HA -0.027 4.313 4.340 0.000 0.000 0.230 345 R C 1.664 177.845 176.300 -0.199 0.000 1.111 345 R CA 1.004 56.940 56.100 -0.274 0.000 0.976 345 R CB -0.239 29.817 30.300 -0.406 0.000 0.870 345 R HN 0.452 nan 8.270 nan 0.000 0.445 346 Y N -0.127 120.144 120.300 -0.048 0.000 2.529 346 Y HA 0.078 4.628 4.550 0.001 0.000 0.290 346 Y C 1.076 176.960 175.900 -0.028 0.000 1.177 346 Y CA -0.135 57.940 58.100 -0.042 0.000 1.305 346 Y CB -0.018 38.455 38.460 0.023 0.000 1.047 346 Y HN -0.027 nan 8.280 nan 0.000 0.522 347 S N -0.674 115.074 115.700 0.080 0.000 3.696 347 S HA -0.160 4.310 4.470 0.000 0.000 0.302 347 S C 0.102 174.739 174.600 0.061 0.000 1.182 347 S CA 0.455 58.691 58.200 0.059 0.000 0.857 347 S CB -1.496 61.731 63.200 0.045 0.000 0.960 347 S HN 0.651 nan 8.310 nan 0.000 0.559 348 A N 1.485 124.365 122.820 0.101 0.000 3.248 348 A HA 0.593 4.914 4.320 0.000 0.000 0.315 348 A C -1.810 175.919 177.584 0.242 0.000 0.974 348 A CA -0.899 51.233 52.037 0.159 0.000 0.939 348 A CB 0.681 19.818 19.000 0.228 0.000 1.061 348 A HN 0.484 nan 8.150 nan 0.000 0.481 349 P HA 0.243 nan 4.420 nan 0.000 0.271 349 P C -2.961 174.470 177.300 0.218 0.000 1.244 349 P CA -0.857 62.337 63.100 0.157 0.000 0.793 349 P CB 0.486 32.201 31.700 0.024 0.000 0.984 350 P HA 0.175 nan 4.420 nan 0.000 0.287 350 P C 0.580 177.830 177.300 -0.083 0.000 1.270 350 P CA -0.221 62.825 63.100 -0.091 0.000 0.844 350 P CB 1.350 32.996 31.700 -0.091 0.000 1.068 351 G N 1.534 110.258 108.800 -0.126 0.000 2.437 351 G HA2 0.023 3.983 3.960 0.000 0.000 0.212 351 G HA3 0.023 3.983 3.960 0.000 0.000 0.212 351 G C -0.136 174.724 174.900 -0.067 0.000 1.174 351 G CA 0.310 45.369 45.100 -0.068 0.000 0.811 351 G HN 0.470 nan 8.290 nan 0.000 0.537 352 D N 1.120 121.464 120.400 -0.093 0.000 2.593 352 D HA 0.319 4.959 4.640 0.000 0.000 0.251 352 D C -2.509 173.749 176.300 -0.070 0.000 1.140 352 D CA -1.122 52.840 54.000 -0.063 0.000 0.855 352 D CB 2.151 42.921 40.800 -0.050 0.000 1.267 352 D HN 0.068 nan 8.370 nan 0.000 0.532 353 P HA 0.041 nan 4.420 nan 0.000 0.263 353 P C -2.286 175.029 177.300 0.025 0.000 1.175 353 P CA -0.632 62.475 63.100 0.012 0.000 0.761 353 P CB -0.084 31.629 31.700 0.021 0.000 0.794 354 P HA 0.117 nan 4.420 nan 0.000 0.272 354 P C -0.816 176.516 177.300 0.054 0.000 1.240 354 P CA 0.019 63.195 63.100 0.127 0.000 0.791 354 P CB 0.791 32.678 31.700 0.313 0.000 0.978 355 Q N 0.849 120.679 119.800 0.050 0.000 2.284 355 Q HA 0.448 4.789 4.340 0.000 0.000 0.269 355 Q C -2.882 173.108 176.000 -0.017 0.000 1.026 355 Q CA -2.095 53.709 55.803 0.002 0.000 0.831 355 Q CB 2.421 31.168 28.738 0.014 0.000 1.322 355 Q HN 0.236 nan 8.270 nan 0.000 0.419 356 P HA 0.051 nan 4.420 nan 0.000 0.267 356 P C -0.877 176.269 177.300 -0.256 0.000 1.200 356 P CA 0.310 63.298 63.100 -0.186 0.000 0.772 356 P CB 0.839 32.434 31.700 -0.175 0.000 0.855 357 E N 1.629 121.592 120.200 -0.394 0.000 2.314 357 E HA 0.230 4.580 4.350 0.000 0.000 0.272 357 E C -0.749 175.578 176.600 -0.454 0.000 0.884 357 E CA -0.436 55.787 56.400 -0.296 0.000 0.753 357 E CB 1.519 31.178 29.700 -0.067 0.000 1.213 357 E HN 0.433 nan 8.360 nan 0.000 0.432 358 Y N 0.069 120.513 120.300 0.239 0.000 2.682 358 Y HA 0.208 4.758 4.550 -0.000 0.000 0.251 358 Y C 0.099 176.250 175.900 0.417 0.000 1.172 358 Y CA -0.519 57.791 58.100 0.350 0.000 1.186 358 Y CB 0.939 39.503 38.460 0.174 0.000 1.216 358 Y HN 0.229 nan 8.280 nan 0.000 0.540 359 D N 0.422 120.956 120.400 0.223 0.000 2.358 359 D HA 0.093 4.733 4.640 0.000 0.000 0.253 359 D C 0.741 176.761 176.300 -0.467 0.000 1.288 359 D CA -0.396 53.562 54.000 -0.070 0.000 0.950 359 D CB 1.020 41.816 40.800 -0.007 0.000 1.197 359 D HN 0.120 nan 8.370 nan 0.000 0.550 360 L N 3.805 124.293 121.223 -1.225 0.000 2.123 360 L HA -0.180 4.160 4.340 0.000 0.000 0.217 360 L C 1.267 177.789 176.870 -0.581 0.000 1.081 360 L CA 2.047 56.136 54.840 -1.251 0.000 0.772 360 L CB -0.271 40.839 42.059 -1.582 0.000 0.890 360 L HN 0.505 nan 8.230 nan 0.000 0.437 361 E N -0.911 119.035 120.200 -0.423 0.000 2.505 361 E HA -0.030 4.320 4.350 0.000 0.000 0.197 361 E C 1.276 177.774 176.600 -0.170 0.000 1.111 361 E CA 0.137 56.390 56.400 -0.246 0.000 0.887 361 E CB -0.083 29.517 29.700 -0.166 0.000 0.913 361 E HN 0.566 nan 8.360 nan 0.000 0.517 362 L N 0.524 121.639 121.223 -0.180 0.000 3.016 362 L HA 0.306 4.646 4.340 0.000 0.000 0.267 362 L C 0.061 176.876 176.870 -0.092 0.000 1.182 362 L CA -0.145 54.632 54.840 -0.104 0.000 0.997 362 L CB 0.633 42.651 42.059 -0.068 0.000 1.354 362 L HN 0.062 nan 8.230 nan 0.000 0.569 363 I N 0.246 120.741 120.570 -0.125 0.000 2.307 363 I HA 0.157 4.327 4.170 0.000 0.000 0.289 363 I C 0.061 176.133 176.117 -0.074 0.000 1.021 363 I CA -0.090 61.157 61.300 -0.089 0.000 1.224 363 I CB 1.493 39.431 38.000 -0.102 0.000 1.376 363 I HN -0.076 nan 8.210 nan 0.000 0.470 364 T N 5.062 119.588 114.554 -0.046 0.000 2.727 364 T HA 0.241 4.591 4.350 0.000 0.000 0.295 364 T C 0.231 174.915 174.700 -0.027 0.000 0.915 364 T CA -0.411 61.670 62.100 -0.031 0.000 1.066 364 T CB 0.183 69.039 68.868 -0.020 0.000 0.891 364 T HN 0.702 nan 8.240 nan 0.000 0.516 365 S N 1.431 117.116 115.700 -0.024 0.000 2.502 365 S HA 0.385 4.855 4.470 0.000 0.000 0.304 365 S C 0.386 174.984 174.600 -0.004 0.000 1.097 365 S CA -0.889 57.295 58.200 -0.027 0.000 1.045 365 S CB 0.815 63.990 63.200 -0.042 0.000 1.019 365 S HN 0.826 nan 8.310 nan 0.000 0.481 366 C N 2.707 121.999 119.300 -0.014 0.000 4.028 366 C HA -0.209 4.252 4.460 0.000 0.000 0.300 366 C C 1.536 176.570 174.990 0.074 0.000 1.399 366 C CA 0.955 59.979 59.018 0.010 0.000 2.051 366 C CB -3.125 24.601 27.740 -0.024 0.000 1.318 366 C HN 1.470 nan 8.230 nan 0.000 0.696 367 S N -1.945 113.788 115.700 0.056 0.000 2.829 367 S HA -0.266 4.204 4.470 0.000 0.000 0.267 367 S C 0.533 175.173 174.600 0.067 0.000 1.293 367 S CA 1.841 60.078 58.200 0.062 0.000 1.375 367 S CB -1.136 62.117 63.200 0.088 0.000 1.700 367 S HN 1.600 nan 8.310 nan 0.000 0.668 368 S N 1.756 117.515 115.700 0.098 0.000 2.801 368 S HA 0.839 5.309 4.470 0.000 0.000 0.312 368 S C -0.472 174.151 174.600 0.040 0.000 1.112 368 S CA -0.391 57.878 58.200 0.115 0.000 0.943 368 S CB 1.574 64.940 63.200 0.277 0.000 1.269 368 S HN 0.651 nan 8.310 nan 0.000 0.558 369 N N -1.522 117.188 118.700 0.017 0.000 2.934 369 N HA 0.411 5.152 4.740 0.000 0.000 0.253 369 N C -1.671 173.769 175.510 -0.117 0.000 1.466 369 N CA -0.703 52.311 53.050 -0.060 0.000 0.858 369 N CB 1.254 39.696 38.487 -0.075 0.000 1.459 369 N HN 0.458 nan 8.380 nan 0.000 0.532 370 V N 0.008 119.816 119.914 -0.176 0.000 2.743 370 V HA 0.681 4.802 4.120 0.000 0.000 0.301 370 V C 0.357 176.301 176.094 -0.251 0.000 1.057 370 V CA -0.221 61.940 62.300 -0.231 0.000 1.006 370 V CB 1.144 32.815 31.823 -0.252 0.000 1.024 370 V HN 0.885 nan 8.190 nan 0.000 0.473 371 S N 1.675 117.173 115.700 -0.336 0.000 2.611 371 S HA 0.718 5.188 4.470 0.000 0.000 0.268 371 S C -1.622 172.892 174.600 -0.143 0.000 1.156 371 S CA -0.288 57.757 58.200 -0.259 0.000 0.817 371 S CB 1.923 64.924 63.200 -0.330 0.000 1.122 371 S HN 0.913 nan 8.310 nan 0.000 0.466 372 V N 1.270 121.199 119.914 0.026 0.000 2.914 372 V HA 1.043 5.163 4.120 0.000 0.000 0.314 372 V C -0.181 175.848 176.094 -0.108 0.000 1.084 372 V CA 0.349 62.617 62.300 -0.052 0.000 0.963 372 V CB 1.407 33.009 31.823 -0.369 0.000 1.025 372 V HN 1.574 nan 8.190 nan 0.000 0.432 373 A N 3.828 126.408 122.820 -0.400 0.000 2.583 373 A HA 0.882 5.202 4.320 0.000 0.000 0.299 373 A C -1.292 175.782 177.584 -0.851 0.000 1.258 373 A CA -0.576 51.070 52.037 -0.652 0.000 0.682 373 A CB 1.582 19.973 19.000 -1.015 0.000 1.332 373 A HN 0.965 nan 8.150 nan 0.000 0.485 374 H N -0.105 118.605 119.070 -0.601 0.000 2.821 374 H HA 0.467 5.024 4.556 0.000 0.000 0.373 374 H C -1.163 173.779 175.328 -0.643 0.000 1.165 374 H CA -0.111 55.591 56.048 -0.576 0.000 1.154 374 H CB 1.973 31.379 29.762 -0.594 0.000 1.765 374 H HN 0.912 nan 8.280 nan 0.000 0.549 375 D N 0.087 120.341 120.400 -0.243 0.000 2.560 375 D HA 0.350 4.991 4.640 0.000 0.000 0.277 375 D C 1.456 177.803 176.300 0.078 0.000 1.194 375 D CA -0.287 53.645 54.000 -0.114 0.000 1.092 375 D CB 0.019 40.765 40.800 -0.090 0.000 1.169 375 D HN 0.412 nan 8.370 nan 0.000 0.607 376 A N -0.345 122.530 122.820 0.090 0.000 1.915 376 A HA -0.193 4.127 4.320 0.000 0.000 0.220 376 A C 1.885 179.527 177.584 0.098 0.000 1.198 376 A CA 2.384 54.484 52.037 0.105 0.000 0.647 376 A CB -1.250 17.778 19.000 0.047 0.000 0.825 376 A HN 0.471 nan 8.150 nan 0.000 0.456 377 S N -1.121 114.612 115.700 0.056 0.000 2.743 377 S HA 0.393 4.863 4.470 0.000 0.000 0.230 377 S C 1.383 176.005 174.600 0.036 0.000 0.950 377 S CA 0.673 58.895 58.200 0.037 0.000 0.976 377 S CB -0.279 62.930 63.200 0.015 0.000 0.779 377 S HN 1.676 nan 8.310 nan 0.000 0.487 378 G N 2.318 111.159 108.800 0.068 0.000 2.205 378 G HA2 -0.380 3.580 3.960 0.000 0.000 0.269 378 G HA3 -0.380 3.580 3.960 0.000 0.000 0.269 378 G C 0.185 175.104 174.900 0.031 0.000 0.977 378 G CA 0.898 45.999 45.100 0.001 0.000 0.652 378 G HN 0.607 nan 8.290 nan 0.000 0.539 379 K N 0.550 120.978 120.400 0.046 0.000 2.414 379 K HA 0.361 4.681 4.320 0.000 0.000 0.272 379 K C 0.806 177.435 176.600 0.049 0.000 0.993 379 K CA -0.566 55.751 56.287 0.050 0.000 0.964 379 K CB 0.300 32.793 32.500 -0.012 0.000 0.925 379 K HN 0.298 nan 8.250 nan 0.000 0.487 380 R N 1.671 122.142 120.500 -0.049 0.000 2.543 380 R HA 0.220 4.560 4.340 0.000 0.000 0.277 380 R C -0.769 175.277 176.300 -0.423 0.000 1.074 380 R CA -0.295 55.562 56.100 -0.404 0.000 1.076 380 R CB 1.292 31.369 30.300 -0.372 0.000 0.993 380 R HN 0.409 nan 8.270 nan 0.000 0.459 381 V N 4.326 123.905 119.914 -0.559 0.000 2.925 381 V HA 0.429 4.549 4.120 0.000 0.000 0.311 381 V C -1.689 174.129 176.094 -0.460 0.000 1.104 381 V CA -0.729 61.326 62.300 -0.409 0.000 0.954 381 V CB 1.825 33.479 31.823 -0.283 0.000 1.022 381 V HN 0.611 nan 8.190 nan 0.000 0.427 382 Y N 6.559 126.833 120.300 -0.043 0.000 2.360 382 Y HA 0.777 5.327 4.550 0.000 0.000 0.337 382 Y C -0.103 175.842 175.900 0.075 0.000 1.039 382 Y CA -0.377 57.716 58.100 -0.012 0.000 1.109 382 Y CB 1.674 40.085 38.460 -0.081 0.000 1.201 382 Y HN 0.766 nan 8.280 nan 0.000 0.458 383 Y N 0.512 120.827 120.300 0.025 0.000 2.689 383 Y HA 0.734 5.285 4.550 0.001 0.000 0.333 383 Y C -2.307 173.599 175.900 0.011 0.000 1.190 383 Y CA -2.202 55.880 58.100 -0.031 0.000 1.063 383 Y CB 0.791 39.182 38.460 -0.115 0.000 1.294 383 Y HN 0.402 nan 8.280 nan 0.000 0.466 384 L N 2.076 123.273 121.223 -0.043 0.000 2.280 384 L HA 0.698 5.038 4.340 0.000 0.000 0.287 384 L C -0.091 176.883 176.870 0.173 0.000 1.023 384 L CA 0.266 55.085 54.840 -0.034 0.000 0.819 384 L CB 1.004 43.088 42.059 0.042 0.000 1.212 384 L HN 1.028 nan 8.230 nan 0.000 0.420 385 T N 4.670 119.275 114.554 0.085 0.000 2.807 385 T HA 0.928 5.278 4.350 0.000 0.000 0.277 385 T C -0.948 173.908 174.700 0.260 0.000 1.006 385 T CA -0.526 61.770 62.100 0.327 0.000 1.006 385 T CB 1.099 70.132 68.868 0.276 0.000 1.274 385 T HN 0.819 nan 8.240 nan 0.000 0.569 386 R N 0.320 120.957 120.500 0.229 0.000 2.829 386 R HA 0.410 4.750 4.340 0.000 0.000 0.283 386 R C -1.985 174.188 176.300 -0.211 0.000 1.013 386 R CA -0.996 55.099 56.100 -0.009 0.000 0.848 386 R CB -0.080 30.178 30.300 -0.069 0.000 1.291 386 R HN 0.569 nan 8.270 nan 0.000 0.496 387 D N 1.956 122.220 120.400 -0.227 0.000 2.417 387 D HA 0.127 4.767 4.640 0.000 0.000 0.250 387 D C -1.232 174.747 176.300 -0.536 0.000 1.166 387 D CA -1.682 52.134 54.000 -0.307 0.000 0.881 387 D CB 1.181 41.877 40.800 -0.174 0.000 1.164 387 D HN 0.326 nan 8.370 nan 0.000 0.467 388 P HA -0.098 nan 4.420 nan 0.000 0.233 388 P C 1.050 178.074 177.300 -0.459 0.000 1.167 388 P CA 0.476 63.014 63.100 -0.937 0.000 0.770 388 P CB 0.200 31.286 31.700 -1.023 0.000 0.837 389 T N 0.424 114.810 114.554 -0.279 0.000 2.594 389 T HA -0.193 4.157 4.350 0.000 0.000 0.266 389 T C 1.829 176.471 174.700 -0.097 0.000 1.070 389 T CA 2.763 64.784 62.100 -0.132 0.000 1.166 389 T CB -1.298 67.531 68.868 -0.064 0.000 0.862 389 T HN 0.232 nan 8.240 nan 0.000 0.436 390 T N 2.117 116.613 114.554 -0.097 0.000 2.674 390 T HA -0.055 4.295 4.350 0.000 0.000 0.265 390 T C -0.477 174.171 174.700 -0.086 0.000 1.039 390 T CA 1.373 63.443 62.100 -0.050 0.000 1.150 390 T CB -1.254 67.613 68.868 -0.001 0.000 0.864 390 T HN 0.349 nan 8.240 nan 0.000 0.427 391 P HA -0.027 nan 4.420 nan 0.000 0.216 391 P C 1.498 178.805 177.300 0.012 0.000 1.153 391 P CA 0.990 64.037 63.100 -0.088 0.000 0.858 391 P CB -0.176 31.368 31.700 -0.261 0.000 0.789 392 L N -1.389 119.807 121.223 -0.044 0.000 2.072 392 L HA -0.116 4.224 4.340 0.000 0.000 0.205 392 L C 2.531 179.448 176.870 0.079 0.000 1.079 392 L CA 1.366 56.230 54.840 0.041 0.000 0.752 392 L CB -1.300 40.746 42.059 -0.022 0.000 0.906 392 L HN -0.073 nan 8.230 nan 0.000 0.436 393 A N 0.539 123.386 122.820 0.044 0.000 1.884 393 A HA -0.272 4.048 4.320 0.000 0.000 0.219 393 A C 2.402 180.057 177.584 0.119 0.000 1.197 393 A CA 2.032 54.115 52.037 0.078 0.000 0.637 393 A CB -0.597 18.430 19.000 0.045 0.000 0.827 393 A HN 0.354 nan 8.150 nan 0.000 0.450 394 R N -0.836 119.711 120.500 0.078 0.000 2.092 394 R HA -0.017 4.323 4.340 0.000 0.000 0.231 394 R C 2.503 178.968 176.300 0.276 0.000 1.119 394 R CA 1.051 57.222 56.100 0.119 0.000 0.970 394 R CB -0.498 29.811 30.300 0.016 0.000 0.864 394 R HN 0.530 nan 8.270 nan 0.000 0.440 395 A N 1.552 124.558 122.820 0.312 0.000 1.940 395 A HA -0.175 4.145 4.320 0.000 0.000 0.219 395 A C 2.393 180.240 177.584 0.438 0.000 1.176 395 A CA 1.825 54.181 52.037 0.532 0.000 0.631 395 A CB -0.615 18.736 19.000 0.585 0.000 0.814 395 A HN 0.405 nan 8.150 nan 0.000 0.446 396 A N -1.252 121.720 122.820 0.253 0.000 1.877 396 A HA -0.186 4.134 4.320 0.000 0.000 0.216 396 A C 2.107 179.787 177.584 0.160 0.000 1.186 396 A CA 1.438 53.562 52.037 0.145 0.000 0.620 396 A CB -0.921 18.140 19.000 0.103 0.000 0.822 396 A HN 0.844 nan 8.150 nan 0.000 0.443 397 W N 1.160 122.493 121.300 0.054 0.000 2.335 397 W HA -0.164 4.496 4.660 0.000 0.000 0.311 397 W C 1.446 177.993 176.519 0.047 0.000 1.213 397 W CA 1.995 59.355 57.345 0.026 0.000 1.274 397 W CB -0.398 29.064 29.460 0.004 0.000 1.148 397 W HN 0.543 nan 8.180 nan 0.000 0.498 398 E N -0.628 119.825 120.200 0.422 0.000 2.516 398 E HA -0.098 4.252 4.350 0.000 0.000 0.199 398 E C 1.780 178.500 176.600 0.199 0.000 1.069 398 E CA 0.955 57.563 56.400 0.348 0.000 0.876 398 E CB -0.049 29.942 29.700 0.485 0.000 0.843 398 E HN 0.083 nan 8.360 nan 0.000 0.530 399 T N -0.105 114.528 114.554 0.131 0.000 3.014 399 T HA 0.051 4.401 4.350 0.000 0.000 0.263 399 T C 1.508 176.137 174.700 -0.117 0.000 1.078 399 T CA 1.026 63.137 62.100 0.018 0.000 1.135 399 T CB 0.249 69.142 68.868 0.043 0.000 0.895 399 T HN 0.214 nan 8.240 nan 0.000 0.480 400 A N 0.242 122.954 122.820 -0.181 0.000 2.508 400 A HA 0.424 4.744 4.320 0.000 0.000 0.250 400 A C 0.482 177.875 177.584 -0.318 0.000 1.208 400 A CA -0.270 51.614 52.037 -0.255 0.000 0.960 400 A CB 0.654 19.492 19.000 -0.270 0.000 1.099 400 A HN 0.044 nan 8.150 nan 0.000 0.542 401 R N 0.812 121.135 120.500 -0.294 0.000 2.510 401 R HA 0.300 4.640 4.340 0.000 0.000 0.294 401 R C -1.746 174.519 176.300 -0.058 0.000 1.056 401 R CA -0.401 55.578 56.100 -0.202 0.000 0.918 401 R CB 0.531 30.728 30.300 -0.172 0.000 1.187 401 R HN 0.527 nan 8.270 nan 0.000 0.437 402 H N 0.737 119.876 119.070 0.115 0.000 2.803 402 H HA 0.204 4.760 4.556 0.000 0.000 0.330 402 H C 0.842 176.260 175.328 0.150 0.000 1.057 402 H CA 0.553 56.687 56.048 0.142 0.000 1.458 402 H CB 0.867 30.687 29.762 0.096 0.000 1.470 402 H HN 0.526 nan 8.280 nan 0.000 0.560 403 T N -0.083 114.633 114.554 0.271 0.000 2.942 403 T HA 0.260 4.610 4.350 0.000 0.000 0.289 403 T C -1.810 172.941 174.700 0.086 0.000 1.044 403 T CA -2.236 59.966 62.100 0.170 0.000 1.023 403 T CB 1.704 70.666 68.868 0.158 0.000 1.123 403 T HN 0.259 nan 8.240 nan 0.000 0.512 404 P HA 0.105 nan 4.420 nan 0.000 0.220 404 P C -0.143 177.134 177.300 -0.039 0.000 1.148 404 P CA 0.376 63.439 63.100 -0.063 0.000 0.803 404 P CB 0.119 31.769 31.700 -0.082 0.000 0.782 405 V N 1.511 121.415 119.914 -0.017 0.000 2.304 405 V HA 0.186 4.306 4.120 0.000 0.000 0.278 405 V C -0.099 175.974 176.094 -0.036 0.000 1.018 405 V CA -0.930 61.348 62.300 -0.036 0.000 0.814 405 V CB 0.679 32.476 31.823 -0.044 0.000 1.021 405 V HN 0.029 nan 8.190 nan 0.000 0.440 406 N N 3.025 121.673 118.700 -0.087 0.000 2.416 406 N HA 0.004 4.744 4.740 0.000 0.000 0.271 406 N C 1.471 176.762 175.510 -0.364 0.000 1.245 406 N CA 0.470 53.406 53.050 -0.190 0.000 0.940 406 N CB 1.694 39.955 38.487 -0.376 0.000 1.175 406 N HN 0.794 nan 8.380 nan 0.000 0.483 407 S N 3.866 119.468 115.700 -0.163 0.000 2.357 407 S HA -0.085 4.385 4.470 0.000 0.000 0.221 407 S C 1.919 176.402 174.600 -0.194 0.000 1.031 407 S CA 0.324 58.456 58.200 -0.113 0.000 0.982 407 S CB -0.364 62.848 63.200 0.020 0.000 0.853 407 S HN 0.768 nan 8.310 nan 0.000 0.458 408 W N 1.523 122.737 121.300 -0.144 0.000 2.321 408 W HA -0.111 4.549 4.660 0.000 0.000 0.306 408 W C 1.814 178.196 176.519 -0.228 0.000 1.217 408 W CA 0.854 58.021 57.345 -0.297 0.000 1.257 408 W CB -1.366 27.440 29.460 -1.090 0.000 1.145 408 W HN 0.408 nan 8.180 nan 0.000 0.509 409 L N 2.739 122.979 121.223 -1.638 0.000 2.072 409 L HA 0.186 4.526 4.340 0.000 0.000 0.205 409 L C 2.678 179.245 176.870 -0.505 0.000 1.079 409 L CA 2.794 56.886 54.840 -1.247 0.000 0.752 409 L CB -1.409 39.670 42.059 -1.633 0.000 0.906 409 L HN 0.043 nan 8.230 nan 0.000 0.436 410 G N -0.618 107.925 108.800 -0.429 0.000 2.432 410 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 410 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 410 G C 1.495 176.366 174.900 -0.048 0.000 1.135 410 G CA 0.719 45.696 45.100 -0.205 0.000 0.767 410 G HN 0.425 nan 8.290 nan 0.000 0.550 411 N N 0.663 119.380 118.700 0.028 0.000 2.080 411 N HA -0.025 4.715 4.740 0.000 0.000 0.189 411 N C 2.329 177.972 175.510 0.223 0.000 1.036 411 N CA 0.801 54.015 53.050 0.273 0.000 0.846 411 N CB -0.275 38.427 38.487 0.358 0.000 1.015 411 N HN 0.292 nan 8.380 nan 0.000 0.423 412 I N 1.346 121.989 120.570 0.121 0.000 2.185 412 I HA -0.295 3.875 4.170 0.000 0.000 0.246 412 I C 2.105 178.264 176.117 0.069 0.000 1.088 412 I CA 1.097 62.456 61.300 0.099 0.000 1.347 412 I CB -0.228 37.868 38.000 0.159 0.000 1.041 412 I HN 0.103 nan 8.210 nan 0.000 0.415 413 I N -0.207 120.391 120.570 0.047 0.000 2.179 413 I HA -0.297 3.873 4.170 0.000 0.000 0.242 413 I C 2.351 178.533 176.117 0.108 0.000 1.088 413 I CA 1.247 62.592 61.300 0.075 0.000 1.357 413 I CB -0.216 37.802 38.000 0.031 0.000 1.051 413 I HN 0.230 nan 8.210 nan 0.000 0.409 414 M N -0.975 118.632 119.600 0.012 0.000 2.506 414 M HA -0.057 4.423 4.480 0.000 0.000 0.260 414 M C 0.740 176.795 176.300 -0.408 0.000 1.104 414 M CA 1.398 56.614 55.300 -0.141 0.000 1.112 414 M CB -0.641 31.800 32.600 -0.266 0.000 1.401 414 M HN 0.205 nan 8.290 nan 0.000 0.473 415 Y N -0.712 119.566 120.300 -0.037 0.000 2.716 415 Y HA 0.492 5.043 4.550 0.000 0.000 0.260 415 Y C 1.781 177.431 175.900 -0.416 0.000 1.141 415 Y CA -0.368 57.592 58.100 -0.234 0.000 1.168 415 Y CB -0.662 37.618 38.460 -0.299 0.000 1.189 415 Y HN 0.150 nan 8.280 nan 0.000 0.549 416 A N 1.057 123.713 122.820 -0.272 0.000 1.884 416 A HA -0.210 4.110 4.320 0.000 0.000 0.219 416 A C -0.249 177.108 177.584 -0.378 0.000 1.197 416 A CA 2.017 53.884 52.037 -0.282 0.000 0.637 416 A CB -1.541 17.330 19.000 -0.215 0.000 0.827 416 A HN 0.295 nan 8.150 nan 0.000 0.450 417 P HA -0.054 nan 4.420 nan 0.000 0.219 417 P C 0.670 177.767 177.300 -0.338 0.000 1.146 417 P CA 1.475 64.325 63.100 -0.417 0.000 0.808 417 P CB -0.545 30.912 31.700 -0.404 0.000 0.779 418 T N -2.299 112.072 114.554 -0.306 0.000 2.930 418 T HA 0.047 4.397 4.350 0.000 0.000 0.306 418 T C 1.131 175.482 174.700 -0.582 0.000 1.045 418 T CA -0.586 61.291 62.100 -0.371 0.000 1.134 418 T CB 0.552 68.857 68.868 -0.939 0.000 0.961 418 T HN -0.162 nan 8.240 nan 0.000 0.545 419 L N 2.811 123.676 121.223 -0.597 0.000 2.042 419 L HA 0.009 4.349 4.340 0.000 0.000 0.210 419 L C 2.332 178.893 176.870 -0.517 0.000 1.076 419 L CA 1.578 55.905 54.840 -0.854 0.000 0.749 419 L CB -1.038 40.416 42.059 -1.009 0.000 0.893 419 L HN 0.935 nan 8.230 nan 0.000 0.432 420 W N -0.806 120.322 121.300 -0.288 0.000 2.436 420 W HA 0.083 4.743 4.660 0.000 0.000 0.284 420 W C 1.895 178.293 176.519 -0.201 0.000 1.225 420 W CA 0.734 57.938 57.345 -0.235 0.000 1.271 420 W CB -1.198 28.160 29.460 -0.171 0.000 1.114 420 W HN 0.328 nan 8.180 nan 0.000 0.559 421 A N 1.834 124.217 122.820 -0.729 0.000 1.898 421 A HA -0.069 4.251 4.320 0.000 0.000 0.214 421 A C 2.256 179.678 177.584 -0.271 0.000 1.183 421 A CA 1.341 53.071 52.037 -0.511 0.000 0.622 421 A CB -0.711 17.793 19.000 -0.828 0.000 0.824 421 A HN 0.238 nan 8.150 nan 0.000 0.444 422 R N -0.749 119.496 120.500 -0.424 0.000 2.070 422 R HA -0.057 4.283 4.340 0.000 0.000 0.232 422 R C 2.299 178.397 176.300 -0.337 0.000 1.138 422 R CA 1.890 57.724 56.100 -0.443 0.000 0.936 422 R CB -0.434 29.412 30.300 -0.756 0.000 0.839 422 R HN 0.500 nan 8.270 nan 0.000 0.429 423 M N -0.239 119.059 119.600 -0.502 0.000 2.229 423 M HA -0.090 4.390 4.480 0.000 0.000 0.264 423 M C 1.985 178.265 176.300 -0.033 0.000 1.063 423 M CA 1.585 56.764 55.300 -0.201 0.000 1.114 423 M CB -0.032 32.410 32.600 -0.263 0.000 1.387 423 M HN 0.175 nan 8.290 nan 0.000 0.420 424 I N -0.894 119.492 120.570 -0.307 0.000 3.196 424 I HA -0.096 4.074 4.170 0.000 0.000 0.248 424 I C 2.128 178.144 176.117 -0.169 0.000 1.105 424 I CA 0.189 61.043 61.300 -0.743 0.000 1.482 424 I CB -0.207 37.252 38.000 -0.903 0.000 1.400 424 I HN 0.114 nan 8.210 nan 0.000 0.464 425 L N 0.521 121.819 121.223 0.125 0.000 1.989 425 L HA -0.246 4.094 4.340 0.000 0.000 0.211 425 L C 2.724 179.972 176.870 0.631 0.000 1.071 425 L CA 1.752 56.885 54.840 0.488 0.000 0.749 425 L CB -0.523 41.810 42.059 0.457 0.000 0.890 425 L HN 0.320 nan 8.230 nan 0.000 0.431 426 M N -1.082 118.801 119.600 0.471 0.000 2.086 426 M HA -0.169 4.312 4.480 0.000 0.000 0.261 426 M C 2.269 179.117 176.300 0.914 0.000 1.067 426 M CA 1.919 57.587 55.300 0.615 0.000 1.116 426 M CB -0.835 31.900 32.600 0.225 0.000 1.348 426 M HN 0.292 nan 8.290 nan 0.000 0.407 427 T N -0.965 114.104 114.554 0.859 0.000 2.564 427 T HA -0.233 4.117 4.350 0.000 0.000 0.259 427 T C 1.678 176.734 174.700 0.594 0.000 1.087 427 T CA 1.990 64.582 62.100 0.820 0.000 1.184 427 T CB -0.746 68.606 68.868 0.808 0.000 0.864 427 T HN 0.443 nan 8.240 nan 0.000 0.403 428 H N 0.557 119.901 119.070 0.457 0.000 2.330 428 H HA -0.157 4.400 4.556 0.000 0.000 0.290 428 H C 1.819 177.131 175.328 -0.026 0.000 1.111 428 H CA 1.982 58.189 56.048 0.265 0.000 1.226 428 H CB -0.612 29.191 29.762 0.067 0.000 1.355 428 H HN 0.389 nan 8.280 nan 0.000 0.485 429 F N -1.415 118.574 119.950 0.065 0.000 2.149 429 F HA 0.015 4.542 4.527 0.000 0.000 0.294 429 F C 2.182 177.904 175.800 -0.130 0.000 1.095 429 F CA 0.632 58.496 58.000 -0.226 0.000 1.276 429 F CB -0.687 38.118 39.000 -0.325 0.000 1.023 429 F HN 0.100 nan 8.300 nan 0.000 0.480 430 F N -0.041 120.083 119.950 0.289 0.000 2.250 430 F HA -0.231 4.296 4.527 0.000 0.000 0.301 430 F C 2.724 178.577 175.800 0.089 0.000 1.077 430 F CA 1.501 59.644 58.000 0.238 0.000 1.348 430 F CB -0.813 38.420 39.000 0.388 0.000 1.040 430 F HN -0.041 nan 8.300 nan 0.000 0.509 431 S N 0.524 116.325 115.700 0.168 0.000 2.343 431 S HA -0.191 4.279 4.470 0.000 0.000 0.219 431 S C 2.183 176.750 174.600 -0.054 0.000 1.033 431 S CA 1.575 59.794 58.200 0.032 0.000 1.014 431 S CB -0.494 62.706 63.200 -0.001 0.000 0.915 431 S HN 0.344 nan 8.310 nan 0.000 0.435 432 I N 1.434 121.901 120.570 -0.172 0.000 2.208 432 I HA -0.194 3.976 4.170 0.000 0.000 0.245 432 I C 2.235 178.287 176.117 -0.109 0.000 1.097 432 I CA 1.216 62.400 61.300 -0.193 0.000 1.363 432 I CB -0.411 37.391 38.000 -0.331 0.000 1.051 432 I HN 0.343 nan 8.210 nan 0.000 0.413 433 L N -0.007 121.153 121.223 -0.106 0.000 2.141 433 L HA -0.196 4.144 4.340 0.000 0.000 0.209 433 L C 2.500 179.361 176.870 -0.016 0.000 1.094 433 L CA 1.024 55.818 54.840 -0.076 0.000 0.763 433 L CB -0.415 41.550 42.059 -0.157 0.000 0.908 433 L HN 0.282 nan 8.230 nan 0.000 0.437 434 L N -0.269 120.963 121.223 0.015 0.000 1.988 434 L HA -0.191 4.150 4.340 0.000 0.000 0.207 434 L C 2.925 179.801 176.870 0.009 0.000 1.071 434 L CA 1.317 56.179 54.840 0.036 0.000 0.744 434 L CB -0.682 41.407 42.059 0.050 0.000 0.893 434 L HN 0.220 nan 8.230 nan 0.000 0.433 435 A N -0.804 122.010 122.820 -0.010 0.000 1.917 435 A HA -0.240 4.080 4.320 0.000 0.000 0.219 435 A C 2.051 179.628 177.584 -0.010 0.000 1.182 435 A CA 1.623 53.651 52.037 -0.016 0.000 0.633 435 A CB -0.374 18.607 19.000 -0.032 0.000 0.819 435 A HN 0.491 nan 8.150 nan 0.000 0.448 436 Q N -0.891 118.902 119.800 -0.011 0.000 2.320 436 Q HA 0.082 4.422 4.340 0.000 0.000 0.201 436 Q C -0.467 175.535 176.000 0.004 0.000 0.910 436 Q CA 0.430 56.231 55.803 -0.003 0.000 0.946 436 Q CB 0.043 28.782 28.738 0.000 0.000 1.062 436 Q HN 0.796 nan 8.270 nan 0.000 0.503 437 E N 0.702 120.907 120.200 0.008 0.000 2.403 437 E HA -0.240 4.110 4.350 0.000 0.000 0.241 437 E C -0.311 176.300 176.600 0.018 0.000 1.201 437 E CA 0.326 56.736 56.400 0.016 0.000 0.721 437 E CB -0.947 28.762 29.700 0.015 0.000 1.245 437 E HN 0.444 nan 8.360 nan 0.000 0.392 438 Q N -0.068 119.740 119.800 0.014 0.000 2.302 438 Q HA 0.151 4.491 4.340 0.000 0.000 0.332 438 Q C 1.076 177.088 176.000 0.021 0.000 0.913 438 Q CA -0.254 55.560 55.803 0.018 0.000 1.098 438 Q CB 0.494 29.241 28.738 0.015 0.000 1.236 438 Q HN 0.216 nan 8.270 nan 0.000 0.436 439 L N 1.187 122.428 121.223 0.030 0.000 2.156 439 L HA -0.132 4.208 4.340 0.000 0.000 0.208 439 L C 1.256 178.164 176.870 0.063 0.000 1.095 439 L CA 1.797 56.661 54.840 0.040 0.000 0.770 439 L CB 0.362 42.475 42.059 0.091 0.000 0.914 439 L HN 0.260 nan 8.230 nan 0.000 0.439 440 E N -1.285 118.951 120.200 0.061 0.000 2.501 440 E HA 0.076 4.426 4.350 0.000 0.000 0.200 440 E C 0.383 177.016 176.600 0.056 0.000 1.016 440 E CA -0.122 56.316 56.400 0.064 0.000 0.921 440 E CB -0.462 29.273 29.700 0.058 0.000 1.034 440 E HN 0.159 nan 8.360 nan 0.000 0.468 441 K N 1.774 122.205 120.400 0.052 0.000 2.349 441 K HA 0.440 4.761 4.320 0.000 0.000 0.288 441 K C -0.130 176.506 176.600 0.060 0.000 1.058 441 K CA -0.321 55.995 56.287 0.048 0.000 0.953 441 K CB 0.506 33.030 32.500 0.039 0.000 0.997 441 K HN 0.161 nan 8.250 nan 0.000 0.477 442 A N 4.937 127.792 122.820 0.057 0.000 2.520 442 A HA 0.300 4.620 4.320 0.000 0.000 0.235 442 A C -0.511 177.110 177.584 0.061 0.000 1.065 442 A CA 0.048 52.122 52.037 0.062 0.000 0.764 442 A CB 0.041 19.080 19.000 0.065 0.000 1.002 442 A HN 0.769 nan 8.150 nan 0.000 0.502 443 L N 1.864 123.120 121.223 0.055 0.000 2.445 443 L HA 0.364 4.704 4.340 0.000 0.000 0.262 443 L C -0.979 175.900 176.870 0.015 0.000 0.974 443 L CA -0.989 53.878 54.840 0.046 0.000 0.822 443 L CB 2.219 44.322 42.059 0.072 0.000 1.339 443 L HN 0.606 nan 8.230 nan 0.000 0.409 444 D N 1.382 121.791 120.400 0.016 0.000 2.313 444 D HA 0.557 5.197 4.640 0.000 0.000 0.247 444 D C -0.402 175.866 176.300 -0.052 0.000 1.094 444 D CA 0.034 54.043 54.000 0.014 0.000 0.925 444 D CB 1.895 42.717 40.800 0.037 0.000 1.188 444 D HN 0.663 nan 8.370 nan 0.000 0.430 445 C N -0.634 118.630 119.300 -0.060 0.000 3.312 445 C HA 0.589 5.049 4.460 0.000 0.000 0.332 445 C C -1.298 173.657 174.990 -0.057 0.000 1.340 445 C CA -0.950 57.998 59.018 -0.116 0.000 1.265 445 C CB 1.428 29.032 27.740 -0.227 0.000 1.563 445 C HN 0.560 nan 8.230 nan 0.000 0.471 446 Q N 0.567 120.331 119.800 -0.059 0.000 2.365 446 Q HA 0.802 5.142 4.340 0.000 0.000 0.269 446 Q C -1.395 174.599 176.000 -0.011 0.000 1.061 446 Q CA -0.521 55.276 55.803 -0.009 0.000 0.816 446 Q CB 2.765 31.500 28.738 -0.005 0.000 1.325 446 Q HN 0.731 nan 8.270 nan 0.000 0.446 447 I N 2.245 122.833 120.570 0.030 0.000 2.499 447 I HA 0.184 4.354 4.170 0.000 0.000 0.288 447 I C -0.758 175.434 176.117 0.124 0.000 1.048 447 I CA -0.801 60.485 61.300 -0.023 0.000 1.062 447 I CB 1.259 39.084 38.000 -0.291 0.000 1.238 447 I HN 0.658 nan 8.210 nan 0.000 0.426 448 Y N 4.878 125.225 120.300 0.077 0.000 4.396 448 Y HA -0.320 4.230 4.550 0.000 0.000 0.216 448 Y C 1.449 177.274 175.900 -0.125 0.000 1.080 448 Y CA 1.343 59.450 58.100 0.012 0.000 1.811 448 Y CB -1.978 36.495 38.460 0.022 0.000 1.591 448 Y HN 0.978 nan 8.280 nan 0.000 0.626 449 G N -2.317 106.545 108.800 0.103 0.000 2.697 449 G HA2 0.102 4.062 3.960 0.000 0.000 0.200 449 G HA3 0.102 4.062 3.960 0.000 0.000 0.200 449 G C 0.430 175.335 174.900 0.009 0.000 1.106 449 G CA -0.120 45.003 45.100 0.039 0.000 0.748 449 G HN 1.284 nan 8.290 nan 0.000 0.503 450 A N 0.009 122.819 122.820 -0.016 0.000 2.462 450 A HA 0.516 4.836 4.320 0.000 0.000 0.243 450 A C 0.709 178.131 177.584 -0.270 0.000 1.076 450 A CA 0.807 52.700 52.037 -0.239 0.000 0.773 450 A CB 0.504 19.229 19.000 -0.459 0.000 1.010 450 A HN 1.703 nan 8.150 nan 0.000 0.493 451 C N 4.533 123.645 119.300 -0.314 0.000 2.203 451 C HA 0.675 5.135 4.460 0.000 0.000 0.325 451 C C -0.626 174.096 174.990 -0.446 0.000 1.156 451 C CA -0.951 57.967 59.018 -0.166 0.000 1.597 451 C CB -2.255 25.542 27.740 0.096 0.000 2.148 451 C HN 0.635 nan 8.230 nan 0.000 0.472 452 Y N 2.858 122.921 120.300 -0.395 0.000 2.326 452 Y HA 0.446 4.996 4.550 0.000 0.000 0.324 452 Y C 0.956 176.709 175.900 -0.244 0.000 1.291 452 Y CA -0.342 57.482 58.100 -0.459 0.000 1.348 452 Y CB 0.856 38.982 38.460 -0.557 0.000 1.294 452 Y HN 0.560 nan 8.280 nan 0.000 0.525 453 S N 2.446 118.139 115.700 -0.012 0.000 2.520 453 S HA 0.638 5.109 4.470 0.000 0.000 0.324 453 S C -1.010 173.632 174.600 0.070 0.000 1.069 453 S CA -0.477 57.761 58.200 0.064 0.000 1.121 453 S CB -0.864 62.405 63.200 0.114 0.000 0.971 453 S HN 0.517 nan 8.310 nan 0.000 0.463 454 I N 3.549 124.147 120.570 0.047 0.000 2.530 454 I HA 0.445 4.615 4.170 0.000 0.000 0.297 454 I C 0.005 176.157 176.117 0.057 0.000 1.011 454 I CA -0.720 60.614 61.300 0.057 0.000 1.107 454 I CB 2.113 40.125 38.000 0.020 0.000 1.285 454 I HN 0.504 nan 8.210 nan 0.000 0.436 455 E N 6.369 126.616 120.200 0.079 0.000 2.134 455 E HA 0.225 4.575 4.350 0.000 0.000 0.278 455 E C -1.862 174.802 176.600 0.107 0.000 0.959 455 E CA -1.647 54.803 56.400 0.084 0.000 0.783 455 E CB 1.607 31.355 29.700 0.081 0.000 1.095 455 E HN 0.309 nan 8.360 nan 0.000 0.399 456 P HA -0.203 nan 4.420 nan 0.000 0.219 456 P C 0.697 178.159 177.300 0.270 0.000 1.145 456 P CA 1.232 64.416 63.100 0.139 0.000 0.813 456 P CB 0.216 31.928 31.700 0.020 0.000 0.771 457 L N -1.569 119.778 121.223 0.207 0.000 2.567 457 L HA 0.038 4.379 4.340 0.000 0.000 0.225 457 L C 1.372 178.334 176.870 0.153 0.000 1.119 457 L CA 0.640 55.610 54.840 0.217 0.000 0.871 457 L CB -0.288 41.860 42.059 0.148 0.000 1.036 457 L HN -0.060 nan 8.230 nan 0.000 0.459 458 D N -0.126 120.358 120.400 0.140 0.000 2.346 458 D HA -0.009 4.631 4.640 0.000 0.000 0.206 458 D C 2.301 178.669 176.300 0.114 0.000 1.001 458 D CA 0.366 54.424 54.000 0.097 0.000 0.871 458 D CB 0.359 41.210 40.800 0.085 0.000 0.943 458 D HN 0.252 nan 8.370 nan 0.000 0.518 459 L N 1.116 122.448 121.223 0.181 0.000 2.085 459 L HA -0.220 4.121 4.340 0.000 0.000 0.218 459 L C -0.455 176.525 176.870 0.184 0.000 1.080 459 L CA 1.831 56.795 54.840 0.206 0.000 0.776 459 L CB -1.583 40.668 42.059 0.321 0.000 0.891 459 L HN 0.061 nan 8.230 nan 0.000 0.437 460 P HA -0.202 nan 4.420 nan 0.000 0.215 460 P C 1.464 178.845 177.300 0.135 0.000 1.157 460 P CA 1.357 64.499 63.100 0.070 0.000 0.874 460 P CB 0.061 31.647 31.700 -0.190 0.000 0.790 461 Q N -0.863 118.956 119.800 0.032 0.000 2.050 461 Q HA -0.118 4.222 4.340 0.000 0.000 0.202 461 Q C 2.190 178.197 176.000 0.012 0.000 0.980 461 Q CA 1.395 57.204 55.803 0.010 0.000 0.840 461 Q CB -0.824 27.897 28.738 -0.028 0.000 0.898 461 Q HN 0.243 nan 8.270 nan 0.000 0.424 462 I N 0.205 120.783 120.570 0.013 0.000 2.163 462 I HA -0.305 3.866 4.170 0.000 0.000 0.243 462 I C 2.139 178.239 176.117 -0.028 0.000 1.085 462 I CA 1.237 62.510 61.300 -0.045 0.000 1.347 462 I CB -0.459 37.565 38.000 0.040 0.000 1.044 462 I HN 0.212 nan 8.210 nan 0.000 0.408 463 I N 0.691 121.312 120.570 0.085 0.000 2.163 463 I HA -0.325 3.845 4.170 0.000 0.000 0.243 463 I C 2.729 178.832 176.117 -0.024 0.000 1.085 463 I CA 1.743 63.095 61.300 0.086 0.000 1.347 463 I CB -0.439 37.658 38.000 0.162 0.000 1.044 463 I HN 0.345 nan 8.210 nan 0.000 0.408 464 E N 1.126 121.354 120.200 0.047 0.000 2.058 464 E HA -0.241 4.109 4.350 0.000 0.000 0.194 464 E C 2.167 178.731 176.600 -0.060 0.000 0.997 464 E CA 1.119 57.527 56.400 0.013 0.000 0.801 464 E CB 0.065 29.872 29.700 0.178 0.000 0.746 464 E HN 0.269 nan 8.360 nan 0.000 0.450 465 R N -0.008 120.439 120.500 -0.088 0.000 2.316 465 R HA 0.024 4.365 4.340 0.000 0.000 0.202 465 R C 1.848 178.015 176.300 -0.223 0.000 1.029 465 R CA 0.427 56.436 56.100 -0.151 0.000 1.018 465 R CB 0.028 30.213 30.300 -0.192 0.000 0.888 465 R HN 0.389 nan 8.270 nan 0.000 0.471 466 L N -1.279 119.771 121.223 -0.289 0.000 2.642 466 L HA 0.122 4.462 4.340 0.000 0.000 0.233 466 L C 1.148 177.569 176.870 -0.749 0.000 1.077 466 L CA 0.444 54.975 54.840 -0.514 0.000 0.879 466 L CB 0.188 41.882 42.059 -0.610 0.000 1.151 466 L HN 0.205 nan 8.230 nan 0.000 0.495 467 H N -1.197 117.773 119.070 -0.168 0.000 3.580 467 H HA 0.352 4.908 4.556 0.000 0.000 0.245 467 H C 0.840 176.063 175.328 -0.175 0.000 1.015 467 H CA 0.880 56.819 56.048 -0.180 0.000 1.113 467 H CB 1.621 31.252 29.762 -0.219 0.000 1.469 467 H HN 0.189 nan 8.280 nan 0.000 0.554 468 G N 0.889 109.643 108.800 -0.076 0.000 2.525 468 G HA2 -0.176 3.784 3.960 0.000 0.000 0.685 468 G HA3 -0.176 3.784 3.960 0.000 0.000 0.685 468 G C 0.446 175.268 174.900 -0.130 0.000 1.290 468 G CA -0.193 44.862 45.100 -0.075 0.000 0.915 468 G HN 0.123 nan 8.290 nan 0.000 0.548 469 L N 0.868 122.075 121.223 -0.026 0.000 2.362 469 L HA -0.027 4.314 4.340 0.000 0.000 0.219 469 L C 3.103 179.950 176.870 -0.039 0.000 1.134 469 L CA 1.992 56.870 54.840 0.062 0.000 0.807 469 L CB -0.396 41.755 42.059 0.153 0.000 0.927 469 L HN 0.849 nan 8.230 nan 0.000 0.447 470 S N -0.094 115.544 115.700 -0.104 0.000 2.481 470 S HA -0.062 4.408 4.470 0.000 0.000 0.231 470 S C 1.949 176.418 174.600 -0.218 0.000 0.996 470 S CA 0.610 58.738 58.200 -0.120 0.000 0.942 470 S CB -0.155 62.971 63.200 -0.123 0.000 0.768 470 S HN 0.326 nan 8.310 nan 0.000 0.520 471 A N 0.008 122.594 122.820 -0.390 0.000 2.239 471 A HA 0.313 4.633 4.320 0.000 0.000 0.209 471 A C 1.244 178.583 177.584 -0.409 0.000 1.171 471 A CA 0.511 52.262 52.037 -0.477 0.000 0.768 471 A CB -0.712 17.941 19.000 -0.577 0.000 0.790 471 A HN 0.589 nan 8.150 nan 0.000 0.478 472 F N -0.766 119.167 119.950 -0.028 0.000 2.694 472 F HA 0.114 4.641 4.527 0.000 0.000 0.292 472 F C 1.856 177.668 175.800 0.020 0.000 1.121 472 F CA 0.433 58.436 58.000 0.005 0.000 1.352 472 F CB 0.041 39.043 39.000 0.004 0.000 1.107 472 F HN 0.192 nan 8.300 nan 0.000 0.597 473 S N -0.312 115.472 115.700 0.140 0.000 2.664 473 S HA 0.376 4.846 4.470 0.000 0.000 0.245 473 S C 0.037 174.716 174.600 0.132 0.000 1.019 473 S CA -0.318 57.962 58.200 0.133 0.000 0.996 473 S CB -0.713 62.549 63.200 0.103 0.000 0.878 473 S HN 0.025 nan 8.310 nan 0.000 0.493 474 L N 2.913 124.135 121.223 -0.002 0.000 2.417 474 L HA 0.524 4.864 4.340 0.000 0.000 0.268 474 L C 0.591 177.455 176.870 -0.010 0.000 1.158 474 L CA -0.265 54.468 54.840 -0.178 0.000 0.819 474 L CB 0.249 42.036 42.059 -0.454 0.000 1.112 474 L HN 0.641 nan 8.230 nan 0.000 0.458 475 H N -1.887 117.042 119.070 -0.234 0.000 2.950 475 H HA 0.351 4.907 4.556 0.000 0.000 0.272 475 H C -0.205 175.068 175.328 -0.091 0.000 1.495 475 H CA -0.837 55.186 56.048 -0.041 0.000 1.183 475 H CB 0.902 30.703 29.762 0.064 0.000 1.867 475 H HN 0.351 nan 8.280 nan 0.000 0.597 476 S N -0.583 115.255 115.700 0.230 0.000 3.628 476 S HA -0.233 4.237 4.470 0.000 0.000 0.373 476 S C -0.835 173.816 174.600 0.086 0.000 0.968 476 S CA 0.440 58.747 58.200 0.177 0.000 1.215 476 S CB -2.269 61.055 63.200 0.207 0.000 0.912 476 S HN 0.480 nan 8.310 nan 0.000 0.495 477 Y N 2.225 122.542 120.300 0.028 0.000 2.511 477 Y HA 0.234 4.784 4.550 -0.000 0.000 0.332 477 Y C 1.378 177.310 175.900 0.053 0.000 1.177 477 Y CA 0.235 58.348 58.100 0.021 0.000 1.422 477 Y CB 0.367 38.837 38.460 0.017 0.000 1.271 477 Y HN 0.526 nan 8.280 nan 0.000 0.550 478 S N 3.627 119.431 115.700 0.173 0.000 2.554 478 S HA -0.034 4.437 4.470 0.000 0.000 0.290 478 S C -1.959 172.721 174.600 0.133 0.000 1.309 478 S CA -0.986 57.286 58.200 0.120 0.000 1.047 478 S CB 0.782 64.035 63.200 0.088 0.000 0.828 478 S HN 0.513 nan 8.310 nan 0.000 0.509 479 P HA 0.131 nan 4.420 nan 0.000 0.233 479 P C 1.514 178.858 177.300 0.074 0.000 1.167 479 P CA 0.995 64.146 63.100 0.086 0.000 0.770 479 P CB -0.328 31.413 31.700 0.069 0.000 0.837 480 G N 0.271 109.113 108.800 0.070 0.000 2.394 480 G HA2 -0.225 3.735 3.960 0.000 0.000 0.214 480 G HA3 -0.225 3.735 3.960 0.000 0.000 0.214 480 G C 1.624 176.564 174.900 0.067 0.000 1.176 480 G CA 0.552 45.685 45.100 0.055 0.000 0.786 480 G HN 0.210 nan 8.290 nan 0.000 0.533 481 E N 1.000 121.260 120.200 0.100 0.000 2.017 481 E HA -0.099 4.251 4.350 0.000 0.000 0.193 481 E C 2.452 179.119 176.600 0.111 0.000 0.997 481 E CA 1.026 57.506 56.400 0.133 0.000 0.804 481 E CB -0.543 29.300 29.700 0.238 0.000 0.757 481 E HN 0.453 nan 8.360 nan 0.000 0.448 482 I N 0.924 121.561 120.570 0.110 0.000 2.315 482 I HA -0.314 3.856 4.170 0.000 0.000 0.251 482 I C 2.125 178.275 176.117 0.054 0.000 1.125 482 I CA 1.067 62.408 61.300 0.069 0.000 1.392 482 I CB -0.504 37.540 38.000 0.073 0.000 1.065 482 I HN 0.204 nan 8.210 nan 0.000 0.424 483 N N 0.872 119.604 118.700 0.054 0.000 2.106 483 N HA -0.185 4.556 4.740 0.000 0.000 0.188 483 N C 1.955 177.482 175.510 0.028 0.000 1.029 483 N CA 1.186 54.260 53.050 0.040 0.000 0.848 483 N CB -0.310 38.200 38.487 0.037 0.000 1.007 483 N HN 0.337 nan 8.380 nan 0.000 0.423 484 R N 0.972 121.487 120.500 0.025 0.000 2.091 484 R HA -0.068 4.272 4.340 0.000 0.000 0.238 484 R C 1.992 178.283 176.300 -0.016 0.000 1.136 484 R CA 1.061 57.161 56.100 0.001 0.000 0.959 484 R CB -0.188 30.109 30.300 -0.006 0.000 0.856 484 R HN -0.037 nan 8.270 nan 0.000 0.437 485 V N 0.983 120.902 119.914 0.008 0.000 2.255 485 V HA -0.257 3.863 4.120 0.000 0.000 0.247 485 V C 2.481 178.577 176.094 0.003 0.000 1.051 485 V CA 2.074 64.374 62.300 0.001 0.000 1.018 485 V CB -0.819 31.038 31.823 0.056 0.000 0.641 485 V HN 0.587 nan 8.190 nan 0.000 0.445 486 A N -0.587 122.246 122.820 0.023 0.000 1.930 486 A HA -0.169 4.152 4.320 0.000 0.000 0.217 486 A C 2.454 180.053 177.584 0.024 0.000 1.175 486 A CA 2.063 54.120 52.037 0.033 0.000 0.627 486 A CB -0.565 18.460 19.000 0.043 0.000 0.815 486 A HN 0.521 nan 8.150 nan 0.000 0.443 487 S N -1.109 114.599 115.700 0.014 0.000 2.368 487 S HA -0.190 4.280 4.470 0.000 0.000 0.224 487 S C 2.009 176.611 174.600 0.004 0.000 1.029 487 S CA 1.176 59.384 58.200 0.013 0.000 0.988 487 S CB -0.862 62.344 63.200 0.010 0.000 0.838 487 S HN 0.796 nan 8.310 nan 0.000 0.462 488 C N 1.907 121.197 119.300 -0.017 0.000 2.419 488 C HA 0.076 4.536 4.460 0.000 0.000 0.281 488 C C 2.328 177.303 174.990 -0.024 0.000 1.336 488 C CA 0.389 59.387 59.018 -0.034 0.000 1.770 488 C CB -1.669 26.019 27.740 -0.087 0.000 1.929 488 C HN 0.544 nan 8.230 nan 0.000 0.509 489 L N -0.028 121.190 121.223 -0.009 0.000 2.109 489 L HA -0.011 4.329 4.340 0.000 0.000 0.207 489 L C 3.025 179.887 176.870 -0.015 0.000 1.086 489 L CA 1.252 56.096 54.840 0.007 0.000 0.760 489 L CB -0.760 41.332 42.059 0.055 0.000 0.910 489 L HN 0.259 nan 8.230 nan 0.000 0.437 490 R N 0.344 120.845 120.500 0.002 0.000 2.115 490 R HA -0.174 4.166 4.340 0.000 0.000 0.230 490 R C 2.293 178.594 176.300 0.003 0.000 1.111 490 R CA 1.161 57.263 56.100 0.003 0.000 0.976 490 R CB -0.140 30.180 30.300 0.034 0.000 0.870 490 R HN 0.282 nan 8.270 nan 0.000 0.445 491 K N 0.715 121.128 120.400 0.021 0.000 2.002 491 K HA -0.162 4.158 4.320 0.000 0.000 0.209 491 K C 1.624 178.268 176.600 0.073 0.000 1.048 491 K CA 1.357 57.686 56.287 0.071 0.000 0.930 491 K CB 0.045 32.575 32.500 0.050 0.000 0.714 491 K HN -0.014 nan 8.250 nan 0.000 0.438 492 L N -0.594 120.608 121.223 -0.035 0.000 2.270 492 L HA 0.178 4.518 4.340 0.000 0.000 0.210 492 L C 1.528 178.167 176.870 -0.386 0.000 1.104 492 L CA 1.559 56.361 54.840 -0.064 0.000 0.804 492 L CB -0.038 42.017 42.059 -0.006 0.000 0.937 492 L HN 0.620 nan 8.230 nan 0.000 0.450 493 G N -1.236 107.254 108.800 -0.516 0.000 2.143 493 G HA2 -0.196 3.764 3.960 0.000 0.000 0.175 493 G HA3 -0.196 3.764 3.960 0.000 0.000 0.175 493 G C 0.085 174.876 174.900 -0.180 0.000 1.004 493 G CA -0.119 44.611 45.100 -0.616 0.000 0.671 493 G HN 0.063 nan 8.290 nan 0.000 0.512 494 V N 1.887 121.763 119.914 -0.063 0.000 2.479 494 V HA 0.296 4.417 4.120 0.000 0.000 0.281 494 V C -1.109 175.071 176.094 0.142 0.000 1.031 494 V CA -0.967 61.391 62.300 0.097 0.000 1.038 494 V CB 0.835 32.743 31.823 0.143 0.000 0.981 494 V HN 0.171 nan 8.190 nan 0.000 0.478 495 P HA 0.032 nan 4.420 nan 0.000 0.266 495 P C -2.309 175.093 177.300 0.170 0.000 1.186 495 P CA -0.573 62.545 63.100 0.030 0.000 0.767 495 P CB -0.238 31.329 31.700 -0.222 0.000 0.820 496 P HA -0.015 nan 4.420 nan 0.000 0.268 496 P C 0.933 178.396 177.300 0.273 0.000 1.208 496 P CA 0.199 63.392 63.100 0.155 0.000 0.777 496 P CB 0.678 32.427 31.700 0.081 0.000 0.875 497 L N 1.552 122.954 121.223 0.298 0.000 2.089 497 L HA -0.256 4.084 4.340 0.000 0.000 0.213 497 L C 2.923 179.993 176.870 0.333 0.000 1.079 497 L CA 1.967 57.023 54.840 0.361 0.000 0.758 497 L CB -0.808 41.370 42.059 0.197 0.000 0.891 497 L HN 0.498 nan 8.230 nan 0.000 0.433 498 R N -0.175 120.453 120.500 0.213 0.000 2.081 498 R HA -0.119 4.221 4.340 0.000 0.000 0.235 498 R C 2.014 178.419 176.300 0.174 0.000 1.131 498 R CA 1.658 57.868 56.100 0.183 0.000 0.960 498 R CB -1.261 29.110 30.300 0.118 0.000 0.856 498 R HN 0.180 nan 8.270 nan 0.000 0.436 499 V N 0.540 120.501 119.914 0.079 0.000 2.380 499 V HA -0.225 3.895 4.120 0.000 0.000 0.251 499 V C 1.977 178.060 176.094 -0.019 0.000 1.063 499 V CA 1.982 64.249 62.300 -0.055 0.000 1.055 499 V CB -0.798 30.876 31.823 -0.247 0.000 0.657 499 V HN 0.387 nan 8.190 nan 0.000 0.455 500 W N 0.032 121.434 121.300 0.170 0.000 2.418 500 W HA -0.042 4.618 4.660 0.000 0.000 0.292 500 W C 2.739 179.429 176.519 0.285 0.000 1.213 500 W CA 1.215 58.698 57.345 0.230 0.000 1.283 500 W CB -0.255 29.356 29.460 0.251 0.000 1.119 500 W HN 0.043 nan 8.180 nan 0.000 0.542 501 R N -0.406 120.384 120.500 0.483 0.000 2.120 501 R HA -0.209 4.131 4.340 0.000 0.000 0.234 501 R C 1.929 178.332 176.300 0.170 0.000 1.123 501 R CA 1.978 58.300 56.100 0.370 0.000 0.975 501 R CB -0.535 29.961 30.300 0.326 0.000 0.866 501 R HN 0.262 nan 8.270 nan 0.000 0.446 502 H N 0.180 119.302 119.070 0.087 0.000 2.276 502 H HA 0.015 4.572 4.556 0.000 0.000 0.301 502 H C 1.961 177.278 175.328 -0.019 0.000 1.073 502 H CA 2.136 58.188 56.048 0.007 0.000 1.311 502 H CB 0.170 29.919 29.762 -0.021 0.000 1.379 502 H HN 0.113 nan 8.280 nan 0.000 0.494 503 R N 0.027 120.619 120.500 0.154 0.000 2.159 503 R HA -0.095 4.245 4.340 0.000 0.000 0.237 503 R C 2.401 178.700 176.300 -0.002 0.000 1.131 503 R CA 0.758 56.901 56.100 0.073 0.000 0.982 503 R CB -0.205 30.139 30.300 0.073 0.000 0.868 503 R HN 0.355 nan 8.270 nan 0.000 0.453 504 A N 1.529 124.361 122.820 0.020 0.000 1.898 504 A HA -0.150 4.171 4.320 0.000 0.000 0.216 504 A C 2.079 179.424 177.584 -0.397 0.000 1.181 504 A CA 1.008 52.922 52.037 -0.205 0.000 0.620 504 A CB -0.300 18.592 19.000 -0.180 0.000 0.819 504 A HN 0.199 nan 8.150 nan 0.000 0.442 505 R N -0.372 119.953 120.500 -0.291 0.000 2.083 505 R HA -0.145 4.195 4.340 0.000 0.000 0.237 505 R C 2.678 178.827 176.300 -0.251 0.000 1.137 505 R CA 1.662 57.593 56.100 -0.281 0.000 0.951 505 R CB -0.631 29.511 30.300 -0.263 0.000 0.851 505 R HN 0.606 nan 8.270 nan 0.000 0.434 506 S N 0.577 116.147 115.700 -0.216 0.000 2.359 506 S HA -0.122 4.348 4.470 0.000 0.000 0.224 506 S C 2.087 176.579 174.600 -0.181 0.000 1.035 506 S CA 1.646 59.749 58.200 -0.162 0.000 1.018 506 S CB -0.197 62.940 63.200 -0.106 0.000 0.876 506 S HN 0.147 nan 8.310 nan 0.000 0.448 507 V N 2.002 121.757 119.914 -0.265 0.000 2.515 507 V HA -0.061 4.059 4.120 0.000 0.000 0.250 507 V C 2.722 178.596 176.094 -0.366 0.000 1.058 507 V CA 1.980 64.086 62.300 -0.322 0.000 1.064 507 V CB -0.919 30.602 31.823 -0.504 0.000 0.675 507 V HN 0.472 nan 8.190 nan 0.000 0.461 508 R N 0.459 120.703 120.500 -0.427 0.000 2.062 508 R HA -0.138 4.202 4.340 0.000 0.000 0.231 508 R C 2.422 178.638 176.300 -0.139 0.000 1.136 508 R CA 1.651 57.598 56.100 -0.255 0.000 0.948 508 R CB -0.533 29.633 30.300 -0.224 0.000 0.845 508 R HN 0.453 nan 8.270 nan 0.000 0.430 509 A N 1.000 123.735 122.820 -0.142 0.000 1.917 509 A HA -0.229 4.092 4.320 0.000 0.000 0.219 509 A C 2.214 179.759 177.584 -0.065 0.000 1.182 509 A CA 1.782 53.763 52.037 -0.093 0.000 0.633 509 A CB -0.508 18.434 19.000 -0.096 0.000 0.819 509 A HN 0.343 nan 8.150 nan 0.000 0.448 510 R N -0.652 119.806 120.500 -0.070 0.000 2.070 510 R HA -0.030 4.311 4.340 0.000 0.000 0.233 510 R C 2.144 178.441 176.300 -0.004 0.000 1.137 510 R CA 1.628 57.708 56.100 -0.034 0.000 0.945 510 R CB -0.518 29.763 30.300 -0.032 0.000 0.845 510 R HN 0.552 nan 8.270 nan 0.000 0.430 511 L N 0.261 121.485 121.223 0.001 0.000 2.046 511 L HA -0.211 4.129 4.340 0.000 0.000 0.208 511 L C 2.296 179.184 176.870 0.029 0.000 1.077 511 L CA 1.198 56.066 54.840 0.047 0.000 0.747 511 L CB -0.436 41.665 42.059 0.069 0.000 0.896 511 L HN 0.241 nan 8.230 nan 0.000 0.432 512 L N -0.937 120.287 121.223 0.003 0.000 2.042 512 L HA -0.224 4.117 4.340 0.000 0.000 0.210 512 L C 2.722 179.593 176.870 0.002 0.000 1.076 512 L CA 1.203 56.044 54.840 0.000 0.000 0.749 512 L CB -0.448 41.601 42.059 -0.017 0.000 0.893 512 L HN 0.210 nan 8.230 nan 0.000 0.432 513 S N -0.740 114.958 115.700 -0.003 0.000 2.383 513 S HA -0.196 4.274 4.470 0.000 0.000 0.229 513 S C 1.784 176.389 174.600 0.009 0.000 1.030 513 S CA 0.967 59.167 58.200 -0.001 0.000 1.002 513 S CB -0.245 62.951 63.200 -0.006 0.000 0.829 513 S HN 0.436 nan 8.310 nan 0.000 0.467 514 Q N 0.883 120.694 119.800 0.019 0.000 2.515 514 Q HA 0.057 4.397 4.340 0.000 0.000 0.215 514 Q C 1.472 177.488 176.000 0.027 0.000 0.983 514 Q CA 0.701 56.521 55.803 0.029 0.000 0.905 514 Q CB -1.094 27.673 28.738 0.049 0.000 0.961 514 Q HN 0.579 nan 8.270 nan 0.000 0.503 515 G N 0.045 108.858 108.800 0.020 0.000 2.668 515 G HA2 -0.193 3.767 3.960 0.000 0.000 0.266 515 G HA3 -0.193 3.767 3.960 0.000 0.000 0.266 515 G C 0.569 175.481 174.900 0.021 0.000 1.328 515 G CA 0.393 45.503 45.100 0.017 0.000 0.911 515 G HN 0.741 nan 8.290 nan 0.000 0.567 516 G N -0.910 107.899 108.800 0.014 0.000 2.578 516 G HA2 -0.251 3.709 3.960 0.000 0.000 0.313 516 G HA3 -0.251 3.709 3.960 0.000 0.000 0.313 516 G C 1.136 176.043 174.900 0.012 0.000 1.324 516 G CA 1.716 46.824 45.100 0.013 0.000 0.955 516 G HN 1.522 nan 8.290 nan 0.000 0.541 517 R N -0.082 120.428 120.500 0.016 0.000 2.103 517 R HA -0.028 4.312 4.340 0.000 0.000 0.242 517 R C 3.277 179.602 176.300 0.042 0.000 1.142 517 R CA 2.580 58.690 56.100 0.017 0.000 0.960 517 R CB -0.741 29.579 30.300 0.034 0.000 0.858 517 R HN 0.761 nan 8.270 nan 0.000 0.439 518 A N 0.928 123.791 122.820 0.072 0.000 1.892 518 A HA -0.198 4.122 4.320 0.000 0.000 0.218 518 A C 2.368 179.996 177.584 0.073 0.000 1.188 518 A CA 1.938 54.041 52.037 0.109 0.000 0.631 518 A CB -0.931 18.133 19.000 0.107 0.000 0.822 518 A HN 0.437 nan 8.150 nan 0.000 0.447 519 A N -1.359 121.487 122.820 0.042 0.000 1.972 519 A HA -0.056 4.264 4.320 0.000 0.000 0.219 519 A C 2.247 179.842 177.584 0.018 0.000 1.169 519 A CA 2.183 54.236 52.037 0.027 0.000 0.635 519 A CB -1.125 17.886 19.000 0.018 0.000 0.810 519 A HN 0.445 nan 8.150 nan 0.000 0.446 520 T N -0.862 113.686 114.554 -0.009 0.000 2.867 520 T HA -0.141 4.209 4.350 0.000 0.000 0.268 520 T C 1.878 176.531 174.700 -0.079 0.000 1.057 520 T CA 1.413 63.473 62.100 -0.066 0.000 1.136 520 T CB -0.586 68.186 68.868 -0.160 0.000 0.874 520 T HN 0.613 nan 8.240 nan 0.000 0.466 521 C N 1.330 120.601 119.300 -0.049 0.000 2.473 521 C HA 0.087 4.547 4.460 0.000 0.000 0.279 521 C C 3.139 178.098 174.990 -0.052 0.000 1.250 521 C CA 0.474 59.439 59.018 -0.089 0.000 1.713 521 C CB -1.473 26.234 27.740 -0.055 0.000 2.066 521 C HN 0.665 nan 8.230 nan 0.000 0.474 522 G N 0.124 108.942 108.800 0.030 0.000 2.450 522 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 522 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 522 G C 1.650 176.594 174.900 0.073 0.000 1.130 522 G CA 1.189 46.354 45.100 0.109 0.000 0.760 522 G HN 0.658 nan 8.290 nan 0.000 0.557 523 K N -1.165 119.268 120.400 0.055 0.000 2.057 523 K HA -0.060 4.261 4.320 0.000 0.000 0.206 523 K C 2.053 178.663 176.600 0.018 0.000 1.050 523 K CA 1.078 57.402 56.287 0.063 0.000 0.935 523 K CB -0.160 32.428 32.500 0.148 0.000 0.715 523 K HN 0.391 nan 8.250 nan 0.000 0.439 524 Y N 0.116 120.249 120.300 -0.278 0.000 2.353 524 Y HA 0.107 4.657 4.550 0.000 0.000 0.294 524 Y C 1.785 177.387 175.900 -0.498 0.000 1.135 524 Y CA 0.424 58.202 58.100 -0.537 0.000 1.176 524 Y CB 0.022 37.921 38.460 -0.934 0.000 1.124 524 Y HN -0.089 nan 8.280 nan 0.000 0.537 525 L N -1.709 119.370 121.223 -0.240 0.000 2.376 525 L HA -0.107 4.233 4.340 0.000 0.000 0.219 525 L C 0.477 177.098 176.870 -0.414 0.000 1.133 525 L CA 1.236 55.898 54.840 -0.296 0.000 0.816 525 L CB -0.252 41.486 42.059 -0.535 0.000 0.933 525 L HN 0.142 nan 8.230 nan 0.000 0.449 526 F N -1.888 118.033 119.950 -0.047 0.000 2.791 526 F HA 0.180 4.707 4.527 0.000 0.000 0.316 526 F C 1.510 176.978 175.800 -0.554 0.000 1.134 526 F CA -0.369 57.381 58.000 -0.417 0.000 1.222 526 F CB -0.390 38.383 39.000 -0.379 0.000 1.034 526 F HN -0.002 nan 8.300 nan 0.000 0.516 527 N N 0.754 119.377 118.700 -0.129 0.000 2.571 527 N HA -0.110 4.630 4.740 0.000 0.000 0.189 527 N C 1.234 176.726 175.510 -0.031 0.000 1.154 527 N CA 0.818 53.808 53.050 -0.101 0.000 0.907 527 N CB 0.112 38.537 38.487 -0.104 0.000 0.977 527 N HN 0.570 nan 8.380 nan 0.000 0.449 528 W N -1.208 120.121 121.300 0.049 0.000 2.996 528 W HA 0.378 5.038 4.660 0.001 0.000 0.270 528 W C 1.295 177.858 176.519 0.072 0.000 1.280 528 W CA 0.125 57.502 57.345 0.054 0.000 1.549 528 W CB -0.555 28.945 29.460 0.067 0.000 1.079 528 W HN -0.063 nan 8.180 nan 0.000 0.629 529 A N 2.255 124.693 122.820 -0.637 0.000 1.898 529 A HA 0.080 4.400 4.320 0.000 0.000 0.214 529 A C 1.465 178.923 177.584 -0.210 0.000 1.183 529 A CA 1.622 53.337 52.037 -0.537 0.000 0.622 529 A CB -1.195 17.329 19.000 -0.794 0.000 0.824 529 A HN 0.066 nan 8.150 nan 0.000 0.444 530 V N -2.170 117.629 119.914 -0.192 0.000 3.319 530 V HA 0.203 4.323 4.120 0.000 0.000 0.303 530 V C 0.941 176.999 176.094 -0.061 0.000 1.094 530 V CA -0.011 62.219 62.300 -0.116 0.000 1.106 530 V CB 0.493 32.249 31.823 -0.112 0.000 1.099 530 V HN 0.461 nan 8.190 nan 0.000 0.476 531 K N 0.291 120.661 120.400 -0.050 0.000 2.029 531 K HA 0.077 4.397 4.320 0.000 0.000 0.205 531 K C 0.895 177.474 176.600 -0.035 0.000 1.042 531 K CA 1.195 57.463 56.287 -0.031 0.000 0.949 531 K CB -0.259 32.224 32.500 -0.028 0.000 0.740 531 K HN 0.749 nan 8.250 nan 0.000 0.442 532 T N 3.846 118.376 114.554 -0.041 0.000 3.185 532 T HA 0.095 4.446 4.350 0.000 0.000 0.287 532 T C -0.279 174.393 174.700 -0.047 0.000 1.051 532 T CA -0.242 61.834 62.100 -0.040 0.000 1.051 532 T CB 0.071 68.916 68.868 -0.038 0.000 1.034 532 T HN 0.017 nan 8.240 nan 0.000 0.685 533 K N 2.115 122.487 120.400 -0.046 0.000 2.508 533 K HA 0.098 4.418 4.320 0.000 0.000 0.273 533 K C 0.259 176.822 176.600 -0.060 0.000 0.964 533 K CA -0.287 55.969 56.287 -0.052 0.000 0.948 533 K CB 0.460 32.932 32.500 -0.046 0.000 0.917 533 K HN 0.255 nan 8.250 nan 0.000 0.512 534 L N 1.474 122.649 121.223 -0.081 0.000 2.397 534 L HA 0.146 4.487 4.340 0.000 0.000 0.266 534 L C 1.865 178.675 176.870 -0.099 0.000 1.040 534 L CA -0.008 54.779 54.840 -0.088 0.000 0.800 534 L CB 0.701 42.697 42.059 -0.105 0.000 1.324 534 L HN 0.671 nan 8.230 nan 0.000 0.469 535 K N 0.460 120.809 120.400 -0.085 0.000 1.969 535 K HA -0.084 4.236 4.320 0.000 0.000 0.216 535 K C -0.486 176.046 176.600 -0.113 0.000 1.048 535 K CA 0.606 56.852 56.287 -0.069 0.000 0.948 535 K CB -0.509 31.973 32.500 -0.031 0.000 0.726 535 K HN 0.170 nan 8.250 nan 0.000 0.442 536 L N 1.725 122.831 121.223 -0.196 0.000 2.768 536 L HA -0.152 4.188 4.340 0.000 0.000 0.566 536 L C -0.487 176.361 176.870 -0.037 0.000 1.001 536 L CA 1.563 56.195 54.840 -0.346 0.000 1.287 536 L CB -1.809 39.998 42.059 -0.419 0.000 1.674 536 L HN 0.919 nan 8.230 nan 0.000 0.827 537 T N 1.667 116.318 114.554 0.161 0.000 2.883 537 T HA 0.898 5.248 4.350 0.000 0.000 0.296 537 T C -2.763 172.078 174.700 0.235 0.000 1.117 537 T CA -2.129 60.068 62.100 0.161 0.000 1.006 537 T CB 2.466 71.402 68.868 0.112 0.000 1.191 537 T HN 0.240 nan 8.240 nan 0.000 0.508 538 P HA 0.232 nan 4.420 nan 0.000 0.267 538 P C -0.610 176.740 177.300 0.084 0.000 1.201 538 P CA -0.179 62.995 63.100 0.124 0.000 0.775 538 P CB 0.270 32.012 31.700 0.070 0.000 0.854 539 I N 4.265 124.857 120.570 0.036 0.000 2.331 539 I HA 0.143 4.313 4.170 0.000 0.000 0.292 539 I C -1.319 174.779 176.117 -0.031 0.000 0.998 539 I CA -2.160 59.113 61.300 -0.045 0.000 1.267 539 I CB 1.567 39.492 38.000 -0.126 0.000 1.386 539 I HN 0.321 nan 8.210 nan 0.000 0.476 540 P HA -0.245 nan 4.420 nan 0.000 0.211 540 P C 1.230 178.513 177.300 -0.028 0.000 1.181 540 P CA 1.346 64.432 63.100 -0.023 0.000 0.929 540 P CB 0.194 31.881 31.700 -0.022 0.000 0.789 541 A N -0.966 121.832 122.820 -0.036 0.000 2.277 541 A HA 0.044 4.364 4.320 0.000 0.000 0.208 541 A C 2.055 179.614 177.584 -0.041 0.000 1.202 541 A CA 1.368 53.385 52.037 -0.034 0.000 0.762 541 A CB -1.415 17.567 19.000 -0.031 0.000 0.770 541 A HN 0.220 nan 8.150 nan 0.000 0.487 542 A N 0.248 123.042 122.820 -0.043 0.000 1.968 542 A HA -0.005 4.316 4.320 0.000 0.000 0.217 542 A C 2.270 179.819 177.584 -0.059 0.000 1.169 542 A CA 1.616 53.623 52.037 -0.049 0.000 0.638 542 A CB -0.618 18.362 19.000 -0.033 0.000 0.812 542 A HN 0.956 nan 8.150 nan 0.000 0.446 543 S N -0.236 115.437 115.700 -0.046 0.000 2.603 543 S HA -0.050 4.420 4.470 0.000 0.000 0.220 543 S C 1.476 176.047 174.600 -0.049 0.000 0.967 543 S CA 0.650 58.822 58.200 -0.047 0.000 0.920 543 S CB -0.231 62.950 63.200 -0.032 0.000 0.773 543 S HN 0.832 nan 8.310 nan 0.000 0.529 544 Q N 0.284 120.055 119.800 -0.048 0.000 2.281 544 Q HA 0.364 4.705 4.340 0.000 0.000 0.215 544 Q C 0.180 176.150 176.000 -0.050 0.000 0.867 544 Q CA -0.323 55.456 55.803 -0.041 0.000 0.940 544 Q CB -0.152 28.570 28.738 -0.027 0.000 1.111 544 Q HN 0.448 nan 8.270 nan 0.000 0.513 545 L N 2.940 124.119 121.223 -0.073 0.000 2.410 545 L HA 0.149 4.489 4.340 0.000 0.000 0.273 545 L C -0.375 176.419 176.870 -0.127 0.000 1.144 545 L CA -0.247 54.537 54.840 -0.093 0.000 0.863 545 L CB 0.619 42.595 42.059 -0.138 0.000 1.140 545 L HN 0.130 nan 8.230 nan 0.000 0.463 546 D N 3.878 124.228 120.400 -0.084 0.000 2.393 546 D HA 0.240 4.880 4.640 0.000 0.000 0.232 546 D C 0.008 176.219 176.300 -0.150 0.000 1.192 546 D CA -0.145 53.803 54.000 -0.085 0.000 0.882 546 D CB 0.783 41.567 40.800 -0.027 0.000 1.038 546 D HN 0.198 nan 8.370 nan 0.000 0.499 547 L N 2.702 123.728 121.223 -0.328 0.000 3.066 547 L HA 0.194 4.534 4.340 0.000 0.000 0.265 547 L C 0.317 177.011 176.870 -0.294 0.000 1.232 547 L CA -0.178 54.216 54.840 -0.743 0.000 1.031 547 L CB -0.025 41.362 42.059 -1.120 0.000 1.379 547 L HN 0.326 nan 8.230 nan 0.000 0.563 548 S N -0.863 114.792 115.700 -0.076 0.000 2.411 548 S HA 0.671 5.141 4.470 0.000 0.000 0.294 548 S C 1.005 175.647 174.600 0.071 0.000 1.115 548 S CA 0.185 58.392 58.200 0.012 0.000 1.071 548 S CB 1.099 64.297 63.200 -0.003 0.000 0.967 548 S HN 0.492 nan 8.310 nan 0.000 0.488 549 G N 2.890 111.768 108.800 0.128 0.000 2.367 549 G HA2 -0.186 3.774 3.960 0.000 0.000 0.181 549 G HA3 -0.186 3.774 3.960 0.000 0.000 0.181 549 G C 0.425 175.439 174.900 0.190 0.000 1.000 549 G CA -0.150 45.037 45.100 0.144 0.000 0.693 549 G HN 0.611 nan 8.290 nan 0.000 0.480 550 W N 0.571 121.757 121.300 -0.191 0.000 2.388 550 W HA 0.428 5.088 4.660 0.000 0.000 0.294 550 W C 0.889 176.783 176.519 -1.041 0.000 1.212 550 W CA 1.315 58.302 57.345 -0.598 0.000 1.271 550 W CB -0.179 28.698 29.460 -0.972 0.000 1.126 550 W HN 0.191 nan 8.180 nan 0.000 0.535 551 F N -0.943 119.198 119.950 0.317 0.000 2.646 551 F HA 0.338 4.865 4.527 0.000 0.000 0.336 551 F C 0.197 176.100 175.800 0.172 0.000 1.437 551 F CA -0.576 57.566 58.000 0.237 0.000 1.142 551 F CB -0.035 39.083 39.000 0.197 0.000 1.530 551 F HN -0.412 nan 8.300 nan 0.000 0.591 552 V N 0.071 120.130 119.914 0.242 0.000 3.426 552 V HA 0.691 4.811 4.120 0.000 0.000 0.279 552 V C 0.409 176.614 176.094 0.183 0.000 1.544 552 V CA 0.210 62.621 62.300 0.186 0.000 1.017 552 V CB 0.633 32.549 31.823 0.155 0.000 0.821 552 V HN 0.459 nan 8.190 nan 0.000 0.432 553 A N -0.246 122.640 122.820 0.110 0.000 2.583 553 A HA 0.719 5.039 4.320 0.000 0.000 0.298 553 A C -0.344 176.924 177.584 -0.527 0.000 1.055 553 A CA 0.189 52.153 52.037 -0.123 0.000 0.714 553 A CB 0.826 19.665 19.000 -0.268 0.000 1.277 553 A HN 0.407 nan 8.150 nan 0.000 0.406 554 G N -0.513 107.726 108.800 -0.935 0.000 2.412 554 G HA2 0.567 4.527 3.960 0.000 0.000 0.318 554 G HA3 0.567 4.527 3.960 0.000 0.000 0.318 554 G C -0.867 173.289 174.900 -1.239 0.000 1.146 554 G CA -0.265 43.911 45.100 -1.541 0.000 0.882 554 G HN 0.685 nan 8.290 nan 0.000 0.501 555 Y N 0.583 120.626 120.300 -0.428 0.000 2.685 555 Y HA 0.288 4.838 4.550 0.001 0.000 0.257 555 Y C 1.150 176.957 175.900 -0.154 0.000 1.053 555 Y CA -0.925 57.038 58.100 -0.229 0.000 1.106 555 Y CB 0.561 38.921 38.460 -0.168 0.000 1.193 555 Y HN 0.519 nan 8.280 nan 0.000 0.602 556 S N 1.454 117.107 115.700 -0.078 0.000 2.737 556 S HA 0.237 4.708 4.470 0.000 0.000 0.315 556 S C 1.263 175.885 174.600 0.036 0.000 1.236 556 S CA 1.157 59.355 58.200 -0.003 0.000 1.093 556 S CB -0.335 62.873 63.200 0.014 0.000 0.832 556 S HN 1.113 nan 8.310 nan 0.000 0.507 557 G N 3.871 112.691 108.800 0.033 0.000 2.372 557 G HA2 -0.142 3.818 3.960 0.000 0.000 0.297 557 G HA3 -0.142 3.818 3.960 0.000 0.000 0.297 557 G C 0.567 175.501 174.900 0.057 0.000 1.005 557 G CA 0.199 45.319 45.100 0.034 0.000 1.173 557 G HN 1.499 nan 8.290 nan 0.000 0.511 558 G N -0.724 108.110 108.800 0.057 0.000 3.651 558 G HA2 0.449 4.409 3.960 0.000 0.000 0.267 558 G HA3 0.449 4.409 3.960 0.000 0.000 0.267 558 G C 0.219 175.146 174.900 0.045 0.000 1.009 558 G CA 0.904 46.055 45.100 0.084 0.000 0.866 558 G HN 1.063 nan 8.290 nan 0.000 0.488 559 D N 0.056 120.457 120.400 0.002 0.000 2.739 559 D HA -0.150 4.490 4.640 0.000 0.000 0.240 559 D C -0.104 176.142 176.300 -0.089 0.000 1.114 559 D CA 0.386 54.368 54.000 -0.030 0.000 0.695 559 D CB -1.029 39.777 40.800 0.010 0.000 1.078 559 D HN 0.144 nan 8.370 nan 0.000 0.434 560 I N 1.321 121.806 120.570 -0.142 0.000 2.441 560 I HA 0.496 4.666 4.170 0.000 0.000 0.295 560 I C -0.006 175.948 176.117 -0.271 0.000 0.994 560 I CA -0.656 60.459 61.300 -0.309 0.000 1.144 560 I CB 1.371 39.016 38.000 -0.592 0.000 1.314 560 I HN 0.153 nan 8.210 nan 0.000 0.445 561 Y N 5.836 125.819 120.300 -0.529 0.000 2.625 561 Y HA 0.599 5.149 4.550 0.000 0.000 0.338 561 Y C -1.357 174.147 175.900 -0.661 0.000 1.123 561 Y CA -0.548 57.252 58.100 -0.500 0.000 1.046 561 Y CB 2.020 40.310 38.460 -0.284 0.000 1.299 561 Y HN 0.676 nan 8.280 nan 0.000 0.464 562 H N 0.211 118.434 119.070 -1.412 0.000 3.037 562 H HA 0.528 5.084 4.556 0.000 0.000 0.336 562 H C -1.618 172.966 175.328 -1.239 0.000 1.323 562 H CA -1.131 54.304 56.048 -1.022 0.000 1.159 562 H CB 2.114 31.394 29.762 -0.805 0.000 1.882 562 H HN 0.526 nan 8.280 nan 0.000 0.535 563 S N 1.939 117.422 115.700 -0.362 0.000 2.640 563 S HA 0.144 4.614 4.470 0.000 0.000 0.320 563 S C -0.696 173.911 174.600 0.012 0.000 1.097 563 S CA -0.693 57.420 58.200 -0.144 0.000 1.092 563 S CB 0.980 64.219 63.200 0.064 0.000 0.988 563 S HN 0.431 nan 8.310 nan 0.000 0.470 564 L N 4.602 125.889 121.223 0.106 0.000 2.891 564 L HA 0.078 4.418 4.340 0.000 0.000 0.290 564 L C 0.276 177.225 176.870 0.132 0.000 1.093 564 L CA 0.983 55.961 54.840 0.229 0.000 1.108 564 L CB -1.073 41.164 42.059 0.296 0.000 1.488 564 L HN 0.546 nan 8.230 nan 0.000 0.447 565 S N 5.193 120.951 115.700 0.097 0.000 2.690 565 S HA 0.908 5.378 4.470 0.000 0.000 0.285 565 S C -0.189 174.433 174.600 0.038 0.000 1.135 565 S CA -0.625 57.608 58.200 0.055 0.000 1.020 565 S CB 1.372 64.591 63.200 0.032 0.000 1.159 565 S HN 0.819 nan 8.310 nan 0.000 0.534 566 R N 0.000 120.511 120.500 0.019 0.000 2.786 566 R HA 0.000 4.340 4.340 0.000 0.000 0.208 566 R CA 0.000 56.102 56.100 0.003 0.000 0.921 566 R CB 0.000 30.301 30.300 0.002 0.000 0.687 566 R HN 0.000 nan 8.270 nan 0.000 0.535