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 3h59_1_B DATA FIRST_RESID 1 DATA SEQUENCE HMSYTWTGAL 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 AASRLDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 H HA 0.000 nan 4.556 nan 0.000 0.296 1 H C 0.000 175.304 175.328 -0.039 0.000 0.993 1 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 1 H CB 0.000 29.752 29.762 -0.017 0.000 1.292 2 M N 1.083 120.683 119.600 -0.000 0.000 2.211 2 M HA 0.163 4.647 4.480 0.007 0.000 0.356 2 M C 1.695 177.912 176.300 -0.138 0.000 1.216 2 M CA 0.154 55.432 55.300 -0.038 0.000 1.134 2 M CB 1.187 33.770 32.600 -0.029 0.000 1.564 2 M HN 0.554 nan 8.290 nan 0.000 0.463 3 S N 2.899 118.455 115.700 -0.239 0.000 2.370 3 S HA -0.103 4.371 4.470 0.007 0.000 0.226 3 S C 0.180 174.369 174.600 -0.685 0.000 1.033 3 S CA 1.046 58.974 58.200 -0.454 0.000 1.011 3 S CB -0.189 62.669 63.200 -0.571 0.000 0.852 3 S HN 0.642 nan 8.310 nan 0.000 0.457 4 Y N 0.808 120.948 120.300 -0.266 0.000 2.553 4 Y HA 0.579 5.134 4.550 0.008 0.000 0.347 4 Y C 0.076 175.661 175.900 -0.525 0.000 1.019 4 Y CA -0.834 56.966 58.100 -0.500 0.000 1.032 4 Y CB 2.015 39.973 38.460 -0.837 0.000 1.284 4 Y HN 0.163 nan 8.280 nan 0.000 0.466 5 T N -2.386 111.907 114.554 -0.435 0.000 2.887 5 T HA 0.718 5.072 4.350 0.007 0.000 0.288 5 T C -1.353 173.040 174.700 -0.512 0.000 1.021 5 T CA -0.829 61.060 62.100 -0.352 0.000 1.000 5 T CB 1.257 70.050 68.868 -0.124 0.000 1.034 5 T HN 0.557 nan 8.240 nan 0.000 0.467 6 W N 0.659 122.012 121.300 0.088 0.000 2.844 6 W HA 0.480 5.143 4.660 0.006 0.000 0.340 6 W C 1.321 177.865 176.519 0.042 0.000 1.093 6 W CA -0.793 56.587 57.345 0.058 0.000 1.212 6 W CB 2.142 31.619 29.460 0.029 0.000 1.422 6 W HN 0.909 nan 8.180 nan 0.000 0.515 7 T N -2.298 112.428 114.554 0.286 0.000 3.051 7 T HA 0.327 4.681 4.350 0.007 0.000 0.255 7 T C 1.441 176.220 174.700 0.131 0.000 1.085 7 T CA 0.954 63.152 62.100 0.163 0.000 1.109 7 T CB 0.081 69.025 68.868 0.125 0.000 0.921 7 T HN 1.208 nan 8.240 nan 0.000 0.488 8 G N 1.376 110.261 108.800 0.141 0.000 2.278 8 G HA2 0.016 3.980 3.960 0.007 0.000 0.210 8 G HA3 0.016 3.980 3.960 0.007 0.000 0.210 8 G C 0.408 175.332 174.900 0.041 0.000 1.000 8 G CA -0.170 44.972 45.100 0.069 0.000 0.635 8 G HN 1.127 nan 8.290 nan 0.000 0.495 9 A N 1.369 124.226 122.820 0.060 0.000 2.540 9 A HA 0.580 4.904 4.320 0.007 0.000 0.239 9 A C 0.867 178.458 177.584 0.012 0.000 1.061 9 A CA 0.308 52.367 52.037 0.038 0.000 0.758 9 A CB 0.090 19.121 19.000 0.051 0.000 0.991 9 A HN 0.884 nan 8.150 nan 0.000 0.502 10 L N 2.155 123.371 121.223 -0.011 0.000 2.453 10 L HA 0.254 4.598 4.340 0.007 0.000 0.261 10 L C 0.214 177.064 176.870 -0.034 0.000 1.179 10 L CA -0.282 54.533 54.840 -0.042 0.000 0.813 10 L CB 0.572 42.610 42.059 -0.035 0.000 1.110 10 L HN 0.562 nan 8.230 nan 0.000 0.466 11 I N 1.539 122.071 120.570 -0.064 0.000 2.396 11 I HA 0.097 4.271 4.170 0.007 0.000 0.289 11 I C 0.432 176.537 176.117 -0.020 0.000 1.056 11 I CA 0.042 61.318 61.300 -0.041 0.000 1.365 11 I CB 0.920 38.879 38.000 -0.070 0.000 1.407 11 I HN 0.653 nan 8.210 nan 0.000 0.509 12 T N 4.863 119.415 114.554 -0.002 0.000 2.912 12 T HA 0.619 4.973 4.350 0.007 0.000 0.288 12 T C -2.488 172.224 174.700 0.021 0.000 1.030 12 T CA -2.008 60.096 62.100 0.007 0.000 1.020 12 T CB 2.033 70.904 68.868 0.006 0.000 1.056 12 T HN 0.267 nan 8.240 nan 0.000 0.480 13 P HA 0.358 nan 4.420 nan 0.000 0.279 13 P C -0.090 177.231 177.300 0.035 0.000 1.276 13 P CA -0.684 62.437 63.100 0.035 0.000 0.801 13 P CB 0.875 32.596 31.700 0.036 0.000 1.127 14 C N -0.464 118.861 119.300 0.041 0.000 3.038 14 C HA 0.681 5.145 4.460 0.007 0.000 0.279 14 C C 0.853 175.862 174.990 0.032 0.000 1.276 14 C CA 0.616 59.655 59.018 0.036 0.000 1.697 14 C CB -0.975 26.791 27.740 0.044 0.000 2.032 14 C HN 0.756 nan 8.230 nan 0.000 0.636 15 A N -0.415 122.427 122.820 0.037 0.000 2.522 15 A HA 0.665 4.989 4.320 0.007 0.000 0.291 15 A C -0.824 176.787 177.584 0.046 0.000 1.039 15 A CA 0.061 52.121 52.037 0.038 0.000 0.643 15 A CB -0.488 18.536 19.000 0.041 0.000 1.310 15 A HN 0.654 nan 8.150 nan 0.000 0.436 16 A N 0.229 123.078 122.820 0.048 0.000 2.531 16 A HA 0.500 4.825 4.320 0.007 0.000 0.236 16 A C 0.076 177.704 177.584 0.074 0.000 1.062 16 A CA 0.687 52.757 52.037 0.055 0.000 0.760 16 A CB -0.279 18.752 19.000 0.051 0.000 0.995 16 A HN 0.637 nan 8.150 nan 0.000 0.501 17 E N 1.445 121.694 120.200 0.082 0.000 2.165 17 E HA 0.308 4.662 4.350 0.007 0.000 0.266 17 E C -0.996 175.689 176.600 0.142 0.000 0.889 17 E CA -0.410 56.055 56.400 0.107 0.000 0.756 17 E CB 1.611 31.364 29.700 0.087 0.000 1.131 17 E HN 0.739 nan 8.360 nan 0.000 0.411 18 E N 1.213 121.539 120.200 0.210 0.000 2.259 18 E HA 0.092 4.446 4.350 0.007 0.000 0.281 18 E C 0.315 177.141 176.600 0.377 0.000 1.027 18 E CA -0.094 56.472 56.400 0.277 0.000 0.838 18 E CB 1.155 31.054 29.700 0.331 0.000 1.066 18 E HN 0.558 nan 8.360 nan 0.000 0.401 19 S N 2.553 118.448 115.700 0.325 0.000 2.514 19 S HA 0.069 4.543 4.470 0.007 0.000 0.223 19 S C 0.505 175.376 174.600 0.451 0.000 1.046 19 S CA -0.263 58.155 58.200 0.363 0.000 0.914 19 S CB 0.201 63.555 63.200 0.257 0.000 0.807 19 S HN 0.221 nan 8.310 nan 0.000 0.497 20 K N 1.793 122.379 120.400 0.309 0.000 2.298 20 K HA 0.325 4.650 4.320 0.007 0.000 0.280 20 K C -0.643 176.017 176.600 0.099 0.000 1.032 20 K CA -0.567 55.850 56.287 0.216 0.000 0.958 20 K CB 0.633 33.196 32.500 0.106 0.000 0.978 20 K HN 0.199 nan 8.250 nan 0.000 0.472 21 L N 5.872 127.153 121.223 0.096 0.000 2.584 21 L HA 0.053 4.397 4.340 0.007 0.000 0.272 21 L C -2.296 174.334 176.870 -0.399 0.000 1.195 21 L CA -0.995 53.721 54.840 -0.207 0.000 0.920 21 L CB -0.230 41.853 42.059 0.040 0.000 1.173 21 L HN 0.458 nan 8.230 nan 0.000 0.489 22 P HA 0.156 nan 4.420 nan 0.000 0.268 22 P C -0.936 176.149 177.300 -0.358 0.000 1.204 22 P CA 0.085 62.896 63.100 -0.481 0.000 0.768 22 P CB 0.432 31.784 31.700 -0.580 0.000 0.842 23 I N 3.219 123.628 120.570 -0.267 0.000 2.433 23 I HA 0.387 4.561 4.170 0.007 0.000 0.292 23 I C 0.496 176.518 176.117 -0.159 0.000 1.001 23 I CA -0.640 60.505 61.300 -0.258 0.000 1.119 23 I CB 1.429 39.256 38.000 -0.288 0.000 1.289 23 I HN 0.479 nan 8.210 nan 0.000 0.438 24 N N 4.069 122.695 118.700 -0.124 0.000 3.229 24 N HA 0.438 5.182 4.740 0.007 0.000 0.315 24 N C 0.358 175.839 175.510 -0.048 0.000 1.520 24 N CA -0.417 52.591 53.050 -0.070 0.000 0.769 24 N CB 0.641 39.099 38.487 -0.048 0.000 1.766 24 N HN 0.384 nan 8.380 nan 0.000 0.618 25 A N -0.604 122.199 122.820 -0.028 0.000 2.178 25 A HA 0.103 4.427 4.320 0.007 0.000 0.218 25 A C 1.650 179.229 177.584 -0.009 0.000 1.157 25 A CA 0.937 52.963 52.037 -0.017 0.000 0.689 25 A CB -0.937 18.053 19.000 -0.016 0.000 0.787 25 A HN 0.540 nan 8.150 nan 0.000 0.465 26 L N -1.498 119.721 121.223 -0.007 0.000 2.513 26 L HA 0.044 4.388 4.340 0.007 0.000 0.222 26 L C 2.432 179.344 176.870 0.071 0.000 1.096 26 L CA 0.445 55.296 54.840 0.019 0.000 0.857 26 L CB -0.098 41.949 42.059 -0.019 0.000 1.026 26 L HN 0.205 nan 8.230 nan 0.000 0.469 27 S N 0.671 116.386 115.700 0.025 0.000 2.353 27 S HA -0.160 4.314 4.470 0.007 0.000 0.222 27 S C 1.702 176.363 174.600 0.103 0.000 1.035 27 S CA 1.545 59.759 58.200 0.024 0.000 1.025 27 S CB -0.294 62.830 63.200 -0.127 0.000 0.902 27 S HN 0.455 nan 8.310 nan 0.000 0.440 28 N N 1.556 120.326 118.700 0.117 0.000 2.364 28 N HA -0.063 4.681 4.740 0.007 0.000 0.183 28 N C 1.857 177.397 175.510 0.049 0.000 1.022 28 N CA 1.222 54.349 53.050 0.128 0.000 0.883 28 N CB -0.493 38.052 38.487 0.096 0.000 0.965 28 N HN 0.591 nan 8.380 nan 0.000 0.438 29 S N -0.283 115.443 115.700 0.044 0.000 2.447 29 S HA -0.043 4.431 4.470 0.007 0.000 0.233 29 S C 1.804 176.422 174.600 0.030 0.000 1.006 29 S CA 0.388 58.587 58.200 -0.001 0.000 0.957 29 S CB -0.141 63.070 63.200 0.019 0.000 0.773 29 S HN 0.211 nan 8.310 nan 0.000 0.507 30 L N 0.058 121.316 121.223 0.058 0.000 2.286 30 L HA 0.589 4.933 4.340 0.007 0.000 0.203 30 L C 0.184 177.107 176.870 0.089 0.000 1.068 30 L CA 0.894 55.761 54.840 0.045 0.000 0.811 30 L CB 0.198 42.077 42.059 -0.300 0.000 0.989 30 L HN 0.525 nan 8.230 nan 0.000 0.467 31 L N -0.981 120.280 121.223 0.064 0.000 2.614 31 L HA 0.329 4.673 4.340 0.007 0.000 0.264 31 L C 0.318 177.198 176.870 0.018 0.000 0.940 31 L CA -0.359 54.505 54.840 0.040 0.000 0.903 31 L CB 1.282 43.397 42.059 0.093 0.000 1.306 31 L HN -0.022 nan 8.230 nan 0.000 0.410 32 R N 1.355 121.732 120.500 -0.204 0.000 2.140 32 R HA 0.140 4.484 4.340 0.007 0.000 0.213 32 R C -0.013 175.973 176.300 -0.523 0.000 1.059 32 R CA 0.491 56.362 56.100 -0.381 0.000 1.000 32 R CB 0.077 30.195 30.300 -0.302 0.000 0.910 32 R HN 0.636 nan 8.270 nan 0.000 0.455 33 H N 0.337 119.268 119.070 -0.231 0.000 2.745 33 H HA 0.096 4.656 4.556 0.006 0.000 0.235 33 H C 0.384 175.691 175.328 -0.035 0.000 1.815 33 H CA -0.355 55.604 56.048 -0.148 0.000 1.321 33 H CB 0.065 29.801 29.762 -0.043 0.000 1.716 33 H HN 0.337 nan 8.280 nan 0.000 0.546 34 H N 0.813 119.976 119.070 0.154 0.000 2.421 34 H HA -0.180 4.380 4.556 0.008 0.000 0.298 34 H C 2.054 177.460 175.328 0.130 0.000 1.087 34 H CA 1.378 57.494 56.048 0.114 0.000 1.330 34 H CB 0.212 30.017 29.762 0.072 0.000 1.388 34 H HN 0.701 nan 8.280 nan 0.000 0.526 35 N N 0.979 119.810 118.700 0.218 0.000 2.443 35 N HA -0.156 4.588 4.740 0.007 0.000 0.184 35 N C 1.433 177.044 175.510 0.169 0.000 1.037 35 N CA 1.190 54.338 53.050 0.162 0.000 0.896 35 N CB -0.206 38.338 38.487 0.095 0.000 0.959 35 N HN 0.335 nan 8.380 nan 0.000 0.442 36 M N 0.251 119.963 119.600 0.186 0.000 2.558 36 M HA 0.118 4.602 4.480 0.007 0.000 0.255 36 M C -0.300 176.169 176.300 0.283 0.000 1.113 36 M CA 0.142 55.561 55.300 0.198 0.000 1.097 36 M CB 0.531 33.233 32.600 0.171 0.000 1.426 36 M HN -0.004 nan 8.290 nan 0.000 0.488 37 V N 0.967 121.061 119.914 0.300 0.000 2.472 37 V HA 0.354 4.478 4.120 0.007 0.000 0.290 37 V C -0.800 175.556 176.094 0.437 0.000 1.037 37 V CA -0.743 61.755 62.300 0.330 0.000 0.908 37 V CB 0.751 32.745 31.823 0.286 0.000 0.985 37 V HN 0.317 nan 8.190 nan 0.000 0.454 38 Y N 2.341 122.797 120.300 0.261 0.000 2.571 38 Y HA 0.889 5.442 4.550 0.005 0.000 0.341 38 Y C -0.495 175.502 175.900 0.161 0.000 1.076 38 Y CA -1.455 56.804 58.100 0.264 0.000 1.029 38 Y CB 1.419 39.995 38.460 0.193 0.000 1.308 38 Y HN 0.724 nan 8.280 nan 0.000 0.461 39 A N 2.014 124.881 122.820 0.079 0.000 2.317 39 A HA 0.648 4.972 4.320 0.007 0.000 0.327 39 A C 0.082 177.709 177.584 0.072 0.000 1.178 39 A CA -0.337 51.553 52.037 -0.244 0.000 0.817 39 A CB 0.275 18.892 19.000 -0.638 0.000 1.189 39 A HN 1.127 nan 8.150 nan 0.000 0.489 40 T N 0.333 114.922 114.554 0.059 0.000 2.926 40 T HA 0.483 4.837 4.350 0.007 0.000 0.307 40 T C 0.404 175.155 174.700 0.084 0.000 1.059 40 T CA 0.476 62.675 62.100 0.166 0.000 1.122 40 T CB 0.423 69.405 68.868 0.189 0.000 0.972 40 T HN 1.432 nan 8.240 nan 0.000 0.545 41 T N -1.500 113.113 114.554 0.098 0.000 2.887 41 T HA 0.491 4.845 4.350 0.007 0.000 0.292 41 T C 1.490 176.221 174.700 0.052 0.000 1.087 41 T CA -0.251 61.891 62.100 0.069 0.000 1.009 41 T CB 1.409 70.326 68.868 0.082 0.000 1.203 41 T HN 0.835 nan 8.240 nan 0.000 0.518 42 S N 0.671 116.394 115.700 0.040 0.000 2.423 42 S HA -0.199 4.275 4.470 0.007 0.000 0.238 42 S C 1.632 176.237 174.600 0.008 0.000 1.028 42 S CA 0.703 58.916 58.200 0.021 0.000 1.000 42 S CB -0.739 62.472 63.200 0.020 0.000 0.797 42 S HN 0.732 nan 8.310 nan 0.000 0.487 43 R N 1.371 121.883 120.500 0.020 0.000 2.339 43 R HA 0.081 4.426 4.340 0.007 0.000 0.199 43 R C 1.759 178.059 176.300 0.000 0.000 1.018 43 R CA 1.026 57.131 56.100 0.008 0.000 1.036 43 R CB -0.401 29.911 30.300 0.019 0.000 0.899 43 R HN 0.764 nan 8.270 nan 0.000 0.473 44 S N -1.187 114.517 115.700 0.007 0.000 2.539 44 S HA 0.220 4.694 4.470 0.007 0.000 0.221 44 S C 1.758 176.341 174.600 -0.028 0.000 0.987 44 S CA 0.109 58.306 58.200 -0.004 0.000 0.929 44 S CB 0.873 64.088 63.200 0.024 0.000 0.832 44 S HN 0.214 nan 8.310 nan 0.000 0.492 45 A N 1.923 124.717 122.820 -0.043 0.000 1.978 45 A HA 0.164 4.488 4.320 0.007 0.000 0.220 45 A C 2.208 179.698 177.584 -0.156 0.000 1.170 45 A CA 1.560 53.547 52.037 -0.084 0.000 0.636 45 A CB -1.569 17.379 19.000 -0.086 0.000 0.810 45 A HN 0.672 nan 8.150 nan 0.000 0.448 46 G N -0.180 108.528 108.800 -0.154 0.000 2.432 46 G HA2 -0.143 3.821 3.960 0.007 0.000 0.219 46 G HA3 -0.143 3.821 3.960 0.007 0.000 0.219 46 G C 1.473 176.284 174.900 -0.149 0.000 1.135 46 G CA 0.949 45.933 45.100 -0.193 0.000 0.767 46 G HN 0.447 nan 8.290 nan 0.000 0.550 47 L N -0.216 120.953 121.223 -0.090 0.000 2.083 47 L HA -0.033 4.312 4.340 0.007 0.000 0.209 47 L C 2.890 179.730 176.870 -0.050 0.000 1.083 47 L CA 1.373 56.178 54.840 -0.057 0.000 0.752 47 L CB -0.429 41.610 42.059 -0.033 0.000 0.899 47 L HN 0.195 nan 8.230 nan 0.000 0.433 48 R N 0.527 120.991 120.500 -0.060 0.000 2.090 48 R HA -0.118 4.226 4.340 0.007 0.000 0.228 48 R C 2.244 178.506 176.300 -0.064 0.000 1.110 48 R CA 1.303 57.382 56.100 -0.035 0.000 0.973 48 R CB -0.325 29.959 30.300 -0.026 0.000 0.869 48 R HN 0.326 nan 8.270 nan 0.000 0.440 49 Q N 0.236 119.917 119.800 -0.198 0.000 2.077 49 Q HA -0.220 4.124 4.340 0.007 0.000 0.206 49 Q C 1.937 177.879 176.000 -0.097 0.000 0.989 49 Q CA 2.247 57.848 55.803 -0.338 0.000 0.853 49 Q CB -0.115 28.131 28.738 -0.820 0.000 0.907 49 Q HN 0.326 nan 8.270 nan 0.000 0.418 50 K N 0.670 121.027 120.400 -0.071 0.000 2.020 50 K HA -0.195 4.130 4.320 0.007 0.000 0.212 50 K C 2.040 178.724 176.600 0.140 0.000 1.050 50 K CA 1.529 57.842 56.287 0.044 0.000 0.929 50 K CB -0.097 32.414 32.500 0.018 0.000 0.714 50 K HN 0.115 nan 8.250 nan 0.000 0.443 51 K N 0.581 121.054 120.400 0.122 0.000 2.097 51 K HA -0.112 4.212 4.320 0.007 0.000 0.206 51 K C 1.973 178.774 176.600 0.336 0.000 1.049 51 K CA 1.582 57.981 56.287 0.186 0.000 0.933 51 K CB -0.120 32.456 32.500 0.128 0.000 0.717 51 K HN 0.155 nan 8.250 nan 0.000 0.442 52 V N -1.433 118.652 119.914 0.284 0.000 3.623 52 V HA 0.052 4.176 4.120 0.007 0.000 0.271 52 V C 0.299 176.540 176.094 0.244 0.000 1.248 52 V CA 0.248 62.745 62.300 0.328 0.000 1.156 52 V CB -0.136 31.845 31.823 0.262 0.000 0.870 52 V HN -0.030 nan 8.190 nan 0.000 0.453 53 T N 4.286 119.033 114.554 0.321 0.000 2.770 53 T HA 0.730 5.084 4.350 0.007 0.000 0.297 53 T C -0.784 174.086 174.700 0.284 0.000 0.997 53 T CA -0.057 62.215 62.100 0.287 0.000 0.949 53 T CB 0.311 69.455 68.868 0.460 0.000 0.941 53 T HN 0.635 nan 8.240 nan 0.000 0.457 54 F N -0.184 119.874 119.950 0.181 0.000 2.741 54 F HA 0.638 5.169 4.527 0.007 0.000 0.311 54 F C -1.149 174.701 175.800 0.084 0.000 1.149 54 F CA -1.661 56.408 58.000 0.115 0.000 0.930 54 F CB 0.619 39.676 39.000 0.094 0.000 1.312 54 F HN 0.187 nan 8.300 nan 0.000 0.450 55 D N 0.766 121.367 120.400 0.335 0.000 2.302 55 D HA 0.507 5.151 4.640 0.007 0.000 0.248 55 D C -0.868 175.601 176.300 0.282 0.000 1.094 55 D CA 0.089 54.223 54.000 0.224 0.000 0.897 55 D CB 0.872 41.776 40.800 0.174 0.000 1.200 55 D HN 0.581 nan 8.370 nan 0.000 0.429 56 R N 2.121 122.729 120.500 0.180 0.000 2.562 56 R HA 0.646 4.990 4.340 0.007 0.000 0.298 56 R C -1.058 175.244 176.300 0.004 0.000 0.961 56 R CA -0.734 55.439 56.100 0.122 0.000 0.881 56 R CB 1.194 31.537 30.300 0.073 0.000 1.159 56 R HN 0.279 nan 8.270 nan 0.000 0.450 57 L N 1.414 122.618 121.223 -0.030 0.000 2.370 57 L HA 0.531 4.875 4.340 0.007 0.000 0.266 57 L C -0.932 175.877 176.870 -0.101 0.000 1.002 57 L CA -0.422 54.351 54.840 -0.112 0.000 0.818 57 L CB 2.142 44.163 42.059 -0.063 0.000 1.325 57 L HN 0.584 nan 8.230 nan 0.000 0.418 58 Q N 1.360 121.078 119.800 -0.136 0.000 2.269 58 Q HA 0.622 4.966 4.340 0.007 0.000 0.263 58 Q C -1.841 174.091 176.000 -0.113 0.000 0.983 58 Q CA -0.373 55.363 55.803 -0.112 0.000 0.777 58 Q CB 2.274 30.933 28.738 -0.132 0.000 1.273 58 Q HN 0.433 nan 8.270 nan 0.000 0.440 59 V N 5.561 125.422 119.914 -0.089 0.000 2.347 59 V HA 0.438 4.562 4.120 0.007 0.000 0.280 59 V C -0.396 175.670 176.094 -0.047 0.000 1.021 59 V CA -0.512 61.739 62.300 -0.080 0.000 0.847 59 V CB 1.083 32.858 31.823 -0.081 0.000 0.990 59 V HN 0.674 nan 8.190 nan 0.000 0.444 60 L N 5.792 126.962 121.223 -0.088 0.000 2.313 60 L HA 0.641 4.985 4.340 0.007 0.000 0.283 60 L C -0.180 176.690 176.870 0.001 0.000 1.013 60 L CA -0.526 54.235 54.840 -0.132 0.000 0.816 60 L CB 1.719 43.497 42.059 -0.468 0.000 1.236 60 L HN 0.718 nan 8.230 nan 0.000 0.419 61 D N 0.334 120.815 120.400 0.135 0.000 2.616 61 D HA 0.153 4.797 4.640 0.007 0.000 0.260 61 D C 0.181 176.550 176.300 0.115 0.000 1.158 61 D CA -0.572 53.491 54.000 0.106 0.000 1.085 61 D CB 0.900 41.765 40.800 0.109 0.000 1.222 61 D HN 0.308 nan 8.370 nan 0.000 0.626 62 D N -1.225 119.178 120.400 0.004 0.000 2.144 62 D HA -0.136 4.508 4.640 0.007 0.000 0.200 62 D C 1.738 178.031 176.300 -0.011 0.000 0.978 62 D CA 1.012 54.989 54.000 -0.039 0.000 0.833 62 D CB -0.064 40.658 40.800 -0.130 0.000 0.961 62 D HN 0.403 nan 8.370 nan 0.000 0.470 63 H N -0.223 118.909 119.070 0.104 0.000 2.352 63 H HA -0.162 4.397 4.556 0.007 0.000 0.299 63 H C 1.989 177.350 175.328 0.055 0.000 1.097 63 H CA 0.918 57.016 56.048 0.084 0.000 1.311 63 H CB -0.697 29.137 29.762 0.120 0.000 1.377 63 H HN 0.334 nan 8.280 nan 0.000 0.504 64 Y N 1.869 122.206 120.300 0.062 0.000 2.097 64 Y HA -0.232 4.322 4.550 0.006 0.000 0.282 64 Y C 2.660 178.513 175.900 -0.078 0.000 1.152 64 Y CA 1.728 59.748 58.100 -0.134 0.000 1.136 64 Y CB -0.093 38.212 38.460 -0.257 0.000 0.975 64 Y HN -0.046 nan 8.280 nan 0.000 0.498 65 R N 0.027 120.584 120.500 0.096 0.000 2.148 65 R HA -0.123 4.221 4.340 0.007 0.000 0.227 65 R C 1.662 177.935 176.300 -0.045 0.000 1.103 65 R CA 1.236 57.338 56.100 0.004 0.000 0.983 65 R CB -0.220 30.128 30.300 0.079 0.000 0.874 65 R HN 0.436 nan 8.270 nan 0.000 0.451 66 D N 0.096 120.490 120.400 -0.009 0.000 2.084 66 D HA -0.113 4.532 4.640 0.007 0.000 0.196 66 D C 1.989 178.270 176.300 -0.031 0.000 0.985 66 D CA 1.048 55.047 54.000 -0.001 0.000 0.826 66 D CB -0.280 40.552 40.800 0.054 0.000 0.978 66 D HN -0.047 nan 8.370 nan 0.000 0.456 67 V N 1.296 121.175 119.914 -0.057 0.000 2.287 67 V HA -0.222 3.902 4.120 0.007 0.000 0.248 67 V C 2.512 178.533 176.094 -0.122 0.000 1.053 67 V CA 1.135 63.382 62.300 -0.089 0.000 1.027 67 V CB -0.509 31.230 31.823 -0.139 0.000 0.646 67 V HN 0.134 nan 8.190 nan 0.000 0.447 68 L N 0.492 121.576 121.223 -0.233 0.000 2.042 68 L HA -0.211 4.133 4.340 0.007 0.000 0.210 68 L C 2.410 179.210 176.870 -0.118 0.000 1.076 68 L CA 2.307 57.009 54.840 -0.229 0.000 0.749 68 L CB -0.811 41.037 42.059 -0.351 0.000 0.893 68 L HN 0.294 nan 8.230 nan 0.000 0.432 69 K N -0.540 119.809 120.400 -0.085 0.000 2.057 69 K HA -0.206 4.118 4.320 0.007 0.000 0.207 69 K C 1.952 178.532 176.600 -0.032 0.000 1.049 69 K CA 1.819 58.078 56.287 -0.047 0.000 0.931 69 K CB -0.113 32.370 32.500 -0.029 0.000 0.714 69 K HN 0.502 nan 8.250 nan 0.000 0.440 70 E N 0.157 120.342 120.200 -0.024 0.000 2.077 70 E HA -0.200 4.154 4.350 0.007 0.000 0.193 70 E C 2.067 178.664 176.600 -0.004 0.000 0.989 70 E CA 1.670 58.067 56.400 -0.005 0.000 0.800 70 E CB -0.077 29.631 29.700 0.013 0.000 0.746 70 E HN 0.353 nan 8.360 nan 0.000 0.452 71 M N 0.571 120.165 119.600 -0.010 0.000 2.117 71 M HA -0.169 4.315 4.480 0.007 0.000 0.262 71 M C 2.111 178.388 176.300 -0.039 0.000 1.065 71 M CA 1.447 56.736 55.300 -0.018 0.000 1.114 71 M CB -0.144 32.446 32.600 -0.017 0.000 1.361 71 M HN -0.056 nan 8.290 nan 0.000 0.408 72 K N 0.357 120.731 120.400 -0.044 0.000 2.097 72 K HA -0.079 4.245 4.320 0.007 0.000 0.206 72 K C 2.137 178.722 176.600 -0.026 0.000 1.049 72 K CA 1.345 57.608 56.287 -0.039 0.000 0.933 72 K CB -0.291 32.185 32.500 -0.040 0.000 0.717 72 K HN 0.304 nan 8.250 nan 0.000 0.442 73 A N 2.143 124.950 122.820 -0.021 0.000 1.908 73 A HA -0.217 4.107 4.320 0.007 0.000 0.218 73 A C 1.905 179.480 177.584 -0.016 0.000 1.181 73 A CA 1.609 53.637 52.037 -0.014 0.000 0.627 73 A CB -0.280 18.715 19.000 -0.009 0.000 0.818 73 A HN 0.208 nan 8.150 nan 0.000 0.445 74 K N -0.456 119.930 120.400 -0.022 0.000 2.103 74 K HA 0.041 4.365 4.320 0.007 0.000 0.204 74 K C 2.269 178.848 176.600 -0.035 0.000 1.052 74 K CA 0.929 57.197 56.287 -0.030 0.000 0.945 74 K CB -0.300 32.176 32.500 -0.041 0.000 0.722 74 K HN 0.424 nan 8.250 nan 0.000 0.443 75 A N 1.338 124.136 122.820 -0.036 0.000 1.972 75 A HA -0.128 4.196 4.320 0.007 0.000 0.219 75 A C 2.030 179.606 177.584 -0.013 0.000 1.169 75 A CA 1.642 53.662 52.037 -0.027 0.000 0.635 75 A CB -0.399 18.588 19.000 -0.022 0.000 0.810 75 A HN 0.172 nan 8.150 nan 0.000 0.446 76 S N -0.315 115.378 115.700 -0.011 0.000 2.555 76 S HA -0.069 4.405 4.470 0.007 0.000 0.230 76 S C 1.818 176.415 174.600 -0.005 0.000 0.978 76 S CA 1.346 59.543 58.200 -0.004 0.000 0.934 76 S CB -0.445 62.752 63.200 -0.004 0.000 0.766 76 S HN 0.899 nan 8.310 nan 0.000 0.533 77 T N -1.021 113.526 114.554 -0.011 0.000 3.081 77 T HA 0.184 4.538 4.350 0.007 0.000 0.255 77 T C 0.525 175.218 174.700 -0.012 0.000 1.113 77 T CA -0.078 62.016 62.100 -0.011 0.000 1.082 77 T CB -0.249 68.611 68.868 -0.014 0.000 0.939 77 T HN 0.043 nan 8.240 nan 0.000 0.506 78 V N 2.163 122.069 119.914 -0.013 0.000 2.488 78 V HA 0.358 4.482 4.120 0.007 0.000 0.277 78 V C 0.165 176.257 176.094 -0.004 0.000 1.046 78 V CA -0.726 61.565 62.300 -0.015 0.000 0.986 78 V CB 1.109 32.918 31.823 -0.023 0.000 0.989 78 V HN 0.376 nan 8.190 nan 0.000 0.475 79 K N 3.798 124.196 120.400 -0.003 0.000 2.235 79 K HA 0.765 5.089 4.320 0.007 0.000 0.266 79 K C -0.599 176.003 176.600 0.003 0.000 0.980 79 K CA -0.391 55.898 56.287 0.004 0.000 0.849 79 K CB 1.451 33.954 32.500 0.006 0.000 1.098 79 K HN 0.818 nan 8.250 nan 0.000 0.445 80 A N 3.807 126.633 122.820 0.011 0.000 2.435 80 A HA 0.501 4.825 4.320 0.007 0.000 0.304 80 A C -1.393 176.207 177.584 0.026 0.000 1.064 80 A CA -0.978 51.066 52.037 0.011 0.000 0.727 80 A CB 1.052 20.055 19.000 0.004 0.000 1.284 80 A HN 0.822 nan 8.150 nan 0.000 0.415 81 K N 1.347 121.766 120.400 0.031 0.000 2.118 81 K HA 0.730 5.054 4.320 0.007 0.000 0.254 81 K C -0.925 175.704 176.600 0.048 0.000 0.961 81 K CA -0.771 55.538 56.287 0.038 0.000 0.876 81 K CB 0.982 33.501 32.500 0.031 0.000 1.077 81 K HN 0.297 nan 8.250 nan 0.000 0.440 82 L N 2.396 123.645 121.223 0.043 0.000 2.456 82 L HA 0.129 4.473 4.340 0.007 0.000 0.272 82 L C -0.313 176.549 176.870 -0.014 0.000 1.189 82 L CA -0.039 54.815 54.840 0.023 0.000 0.846 82 L CB 0.159 42.226 42.059 0.014 0.000 1.111 82 L HN 0.614 nan 8.230 nan 0.000 0.475 83 L N 2.278 123.474 121.223 -0.045 0.000 2.399 83 L HA 0.382 4.726 4.340 0.007 0.000 0.266 83 L C 0.550 177.325 176.870 -0.159 0.000 1.114 83 L CA 0.176 54.971 54.840 -0.076 0.000 0.804 83 L CB 1.366 43.383 42.059 -0.071 0.000 1.146 83 L HN 0.830 nan 8.230 nan 0.000 0.451 84 S N 1.171 116.789 115.700 -0.137 0.000 2.614 84 S HA 0.243 4.717 4.470 0.007 0.000 0.265 84 S C 1.280 175.757 174.600 -0.204 0.000 1.303 84 S CA -0.670 57.433 58.200 -0.161 0.000 1.000 84 S CB 0.882 64.020 63.200 -0.104 0.000 0.935 84 S HN 0.335 nan 8.310 nan 0.000 0.551 85 V N 2.181 121.957 119.914 -0.230 0.000 2.287 85 V HA -0.194 3.930 4.120 0.007 0.000 0.248 85 V C 2.930 178.906 176.094 -0.197 0.000 1.053 85 V CA 2.250 64.385 62.300 -0.274 0.000 1.027 85 V CB -1.242 30.349 31.823 -0.388 0.000 0.646 85 V HN 1.017 nan 8.190 nan 0.000 0.447 86 E N 0.572 120.684 120.200 -0.146 0.000 2.110 86 E HA -0.277 4.077 4.350 0.007 0.000 0.193 86 E C 1.916 178.449 176.600 -0.111 0.000 0.988 86 E CA 1.596 57.928 56.400 -0.112 0.000 0.804 86 E CB -0.459 29.194 29.700 -0.079 0.000 0.745 86 E HN 0.719 nan 8.360 nan 0.000 0.458 87 E N 1.238 121.368 120.200 -0.116 0.000 2.058 87 E HA -0.143 4.211 4.350 0.007 0.000 0.194 87 E C 2.174 178.672 176.600 -0.170 0.000 0.997 87 E CA 1.434 57.759 56.400 -0.125 0.000 0.801 87 E CB -0.186 29.447 29.700 -0.112 0.000 0.746 87 E HN 0.414 nan 8.360 nan 0.000 0.450 88 A N 0.623 123.335 122.820 -0.180 0.000 1.933 88 A HA -0.193 4.131 4.320 0.007 0.000 0.218 88 A C 2.424 179.908 177.584 -0.165 0.000 1.175 88 A CA 1.195 53.115 52.037 -0.194 0.000 0.628 88 A CB -0.839 18.058 19.000 -0.172 0.000 0.814 88 A HN 0.377 nan 8.150 nan 0.000 0.444 89 C N -0.191 119.024 119.300 -0.141 0.000 2.413 89 C HA -0.074 4.390 4.460 0.007 0.000 0.276 89 C C 2.489 177.415 174.990 -0.106 0.000 1.248 89 C CA 1.219 60.169 59.018 -0.113 0.000 1.742 89 C CB -0.757 26.918 27.740 -0.108 0.000 2.017 89 C HN 0.480 nan 8.230 nan 0.000 0.481 90 K N 0.774 121.111 120.400 -0.104 0.000 2.504 90 K HA 0.109 4.434 4.320 0.007 0.000 0.195 90 K C 1.330 177.888 176.600 -0.070 0.000 1.036 90 K CA 0.691 56.934 56.287 -0.072 0.000 0.984 90 K CB -0.287 32.178 32.500 -0.057 0.000 0.788 90 K HN 0.564 nan 8.250 nan 0.000 0.488 91 L N 0.772 121.906 121.223 -0.149 0.000 2.592 91 L HA 0.036 4.380 4.340 0.007 0.000 0.227 91 L C 0.348 177.123 176.870 -0.157 0.000 1.127 91 L CA 0.126 54.842 54.840 -0.206 0.000 0.884 91 L CB -0.001 41.820 42.059 -0.398 0.000 1.065 91 L HN -0.126 nan 8.230 nan 0.000 0.457 92 T N 1.679 116.158 114.554 -0.126 0.000 2.780 92 T HA 0.250 4.604 4.350 0.007 0.000 0.294 92 T C -2.328 172.245 174.700 -0.213 0.000 0.949 92 T CA -1.176 60.840 62.100 -0.139 0.000 1.074 92 T CB 1.171 69.971 68.868 -0.113 0.000 0.910 92 T HN -0.142 nan 8.240 nan 0.000 0.501 93 P HA 0.173 nan 4.420 nan 0.000 0.271 93 P C -1.930 175.139 177.300 -0.384 0.000 1.218 93 P CA -1.485 61.375 63.100 -0.400 0.000 0.780 93 P CB 0.179 31.767 31.700 -0.186 0.000 0.901 94 P HA -0.161 nan 4.420 nan 0.000 0.216 94 P C 0.446 177.630 177.300 -0.194 0.000 1.150 94 P CA 1.727 64.665 63.100 -0.270 0.000 0.837 94 P CB -0.169 31.424 31.700 -0.178 0.000 0.786 95 H N -2.064 116.890 119.070 -0.194 0.000 2.524 95 H HA 0.291 4.850 4.556 0.005 0.000 0.299 95 H C 0.351 175.596 175.328 -0.140 0.000 1.074 95 H CA -0.297 55.670 56.048 -0.134 0.000 1.115 95 H CB -0.543 29.159 29.762 -0.100 0.000 1.522 95 H HN -0.029 nan 8.280 nan 0.000 0.543 96 S N 0.937 116.574 115.700 -0.106 0.000 2.560 96 S HA 0.360 4.834 4.470 0.007 0.000 0.284 96 S C 0.603 175.119 174.600 -0.140 0.000 1.327 96 S CA -0.464 57.654 58.200 -0.136 0.000 1.055 96 S CB 0.158 63.278 63.200 -0.134 0.000 0.868 96 S HN 0.568 nan 8.310 nan 0.000 0.506 97 A N 4.723 127.434 122.820 -0.181 0.000 2.546 97 A HA 0.216 4.541 4.320 0.007 0.000 0.243 97 A C 0.552 178.078 177.584 -0.097 0.000 1.063 97 A CA -0.126 51.825 52.037 -0.143 0.000 0.757 97 A CB -0.185 18.687 19.000 -0.213 0.000 0.991 97 A HN 0.850 nan 8.150 nan 0.000 0.503 98 K N 2.303 122.648 120.400 -0.091 0.000 2.319 98 K HA 0.297 4.621 4.320 0.007 0.000 0.265 98 K C 0.315 176.814 176.600 -0.169 0.000 1.000 98 K CA -0.004 56.204 56.287 -0.132 0.000 0.943 98 K CB 0.422 32.848 32.500 -0.122 0.000 0.950 98 K HN 0.415 nan 8.250 nan 0.000 0.485 99 S N 0.548 116.038 115.700 -0.350 0.000 2.572 99 S HA 0.039 4.513 4.470 0.007 0.000 0.279 99 S C 0.680 175.076 174.600 -0.341 0.000 1.341 99 S CA -0.480 57.474 58.200 -0.409 0.000 1.043 99 S CB 0.578 63.183 63.200 -0.992 0.000 0.887 99 S HN 0.686 nan 8.310 nan 0.000 0.516 100 K N 2.391 122.577 120.400 -0.356 0.000 2.442 100 K HA -0.036 4.288 4.320 0.007 0.000 0.198 100 K C -0.100 176.069 176.600 -0.717 0.000 1.044 100 K CA 1.127 57.076 56.287 -0.562 0.000 0.948 100 K CB -0.121 31.933 32.500 -0.745 0.000 0.762 100 K HN 0.591 nan 8.250 nan 0.000 0.472 101 F N 0.241 120.017 119.950 -0.290 0.000 2.925 101 F HA 0.265 4.801 4.527 0.014 0.000 0.302 101 F C 1.033 176.753 175.800 -0.134 0.000 1.189 101 F CA -0.445 57.395 58.000 -0.266 0.000 1.346 101 F CB 0.676 39.345 39.000 -0.552 0.000 0.954 101 F HN 0.048 nan 8.300 nan 0.000 0.506 102 G N 0.422 109.196 108.800 -0.043 0.000 2.147 102 G HA2 -0.307 3.657 3.960 0.007 0.000 0.244 102 G HA3 -0.307 3.657 3.960 0.007 0.000 0.244 102 G C -0.275 174.711 174.900 0.143 0.000 1.005 102 G CA 0.358 45.483 45.100 0.041 0.000 0.713 102 G HN 0.593 nan 8.290 nan 0.000 0.515 103 Y N -2.643 117.649 120.300 -0.013 0.000 2.655 103 Y HA 0.806 5.362 4.550 0.010 0.000 0.336 103 Y C 0.426 176.316 175.900 -0.017 0.000 1.154 103 Y CA -1.066 57.026 58.100 -0.012 0.000 1.055 103 Y CB 0.710 39.170 38.460 0.001 0.000 1.295 103 Y HN 0.619 nan 8.280 nan 0.000 0.465 104 G N -0.382 108.482 108.800 0.106 0.000 3.042 104 G HA2 0.527 4.491 3.960 0.007 0.000 0.278 104 G HA3 0.527 4.491 3.960 0.007 0.000 0.278 104 G C 0.158 175.091 174.900 0.056 0.000 1.371 104 G CA -0.772 44.324 45.100 -0.007 0.000 1.009 104 G HN 1.150 nan 8.290 nan 0.000 0.523 105 A N -0.422 122.375 122.820 -0.038 0.000 1.940 105 A HA -0.015 4.309 4.320 0.007 0.000 0.219 105 A C 2.117 179.660 177.584 -0.068 0.000 1.176 105 A CA 1.982 53.983 52.037 -0.059 0.000 0.631 105 A CB -0.351 18.569 19.000 -0.133 0.000 0.814 105 A HN 0.556 nan 8.150 nan 0.000 0.446 106 K N -0.490 119.860 120.400 -0.084 0.000 2.228 106 K HA -0.050 4.274 4.320 0.007 0.000 0.202 106 K C 1.206 177.783 176.600 -0.040 0.000 1.051 106 K CA 0.936 57.175 56.287 -0.081 0.000 0.960 106 K CB -0.050 32.391 32.500 -0.099 0.000 0.743 106 K HN 0.407 nan 8.250 nan 0.000 0.458 107 D N 0.588 120.988 120.400 0.000 0.000 2.117 107 D HA -0.144 4.500 4.640 0.007 0.000 0.197 107 D C 1.932 178.227 176.300 -0.009 0.000 0.987 107 D CA 1.027 55.036 54.000 0.016 0.000 0.829 107 D CB -0.212 40.639 40.800 0.086 0.000 0.961 107 D HN -0.068 nan 8.370 nan 0.000 0.460 108 V N 1.284 121.215 119.914 0.028 0.000 2.261 108 V HA -0.223 3.901 4.120 0.007 0.000 0.246 108 V C 2.560 178.623 176.094 -0.052 0.000 1.047 108 V CA 1.546 63.840 62.300 -0.010 0.000 1.015 108 V CB -0.350 31.503 31.823 0.049 0.000 0.642 108 V HN 0.124 nan 8.190 nan 0.000 0.446 109 R N 0.384 120.848 120.500 -0.061 0.000 2.091 109 R HA -0.152 4.192 4.340 0.007 0.000 0.238 109 R C 1.880 178.145 176.300 -0.059 0.000 1.136 109 R CA 1.644 57.699 56.100 -0.075 0.000 0.959 109 R CB -0.443 29.795 30.300 -0.103 0.000 0.856 109 R HN 0.505 nan 8.270 nan 0.000 0.437 110 N N 0.707 119.376 118.700 -0.051 0.000 2.521 110 N HA 0.032 4.776 4.740 0.007 0.000 0.188 110 N C 0.336 175.819 175.510 -0.046 0.000 1.146 110 N CA 0.392 53.416 53.050 -0.042 0.000 0.893 110 N CB 0.140 38.606 38.487 -0.035 0.000 0.975 110 N HN 0.177 nan 8.380 nan 0.000 0.451 111 L N 0.190 121.377 121.223 -0.060 0.000 3.865 111 L HA -0.225 4.119 4.340 0.007 0.000 0.408 111 L C 0.212 177.040 176.870 -0.070 0.000 1.209 111 L CA 0.001 54.798 54.840 -0.071 0.000 0.940 111 L CB -2.653 39.371 42.059 -0.059 0.000 1.971 111 L HN 0.171 nan 8.230 nan 0.000 0.899 112 S N -0.461 115.196 115.700 -0.072 0.000 2.563 112 S HA 0.195 4.669 4.470 0.007 0.000 0.284 112 S C 1.515 176.062 174.600 -0.089 0.000 1.331 112 S CA 0.072 58.232 58.200 -0.066 0.000 1.047 112 S CB 1.629 64.795 63.200 -0.057 0.000 0.859 112 S HN 0.502 nan 8.310 nan 0.000 0.514 113 S N 2.711 118.375 115.700 -0.060 0.000 2.423 113 S HA -0.132 4.343 4.470 0.007 0.000 0.231 113 S C 1.675 176.230 174.600 -0.074 0.000 1.014 113 S CA 0.906 59.075 58.200 -0.050 0.000 0.965 113 S CB -0.500 62.686 63.200 -0.023 0.000 0.785 113 S HN 0.835 nan 8.310 nan 0.000 0.495 114 K N 1.561 121.907 120.400 -0.090 0.000 2.097 114 K HA 0.014 4.338 4.320 0.007 0.000 0.205 114 K C 2.273 178.680 176.600 -0.322 0.000 1.050 114 K CA 1.135 57.355 56.287 -0.111 0.000 0.938 114 K CB -0.529 31.944 32.500 -0.044 0.000 0.718 114 K HN 0.464 nan 8.250 nan 0.000 0.442 115 A N 0.640 123.153 122.820 -0.511 0.000 1.854 115 A HA -0.071 4.253 4.320 0.007 0.000 0.214 115 A C 2.219 179.489 177.584 -0.522 0.000 1.192 115 A CA 1.300 52.721 52.037 -1.028 0.000 0.611 115 A CB -0.620 17.951 19.000 -0.714 0.000 0.832 115 A HN 0.135 nan 8.150 nan 0.000 0.442 116 V N 1.256 120.993 119.914 -0.294 0.000 2.392 116 V HA -0.264 3.860 4.120 0.007 0.000 0.249 116 V C 2.272 178.287 176.094 -0.132 0.000 1.059 116 V CA 2.158 64.321 62.300 -0.229 0.000 1.051 116 V CB -1.017 30.726 31.823 -0.134 0.000 0.658 116 V HN 0.532 nan 8.190 nan 0.000 0.455 117 N N -0.447 118.233 118.700 -0.034 0.000 2.171 117 N HA -0.153 4.591 4.740 0.007 0.000 0.184 117 N C 1.848 177.392 175.510 0.057 0.000 1.021 117 N CA 1.642 54.736 53.050 0.074 0.000 0.854 117 N CB -0.505 38.008 38.487 0.043 0.000 0.994 117 N HN 0.672 nan 8.380 nan 0.000 0.426 118 H N 1.109 120.121 119.070 -0.096 0.000 2.290 118 H HA 0.070 4.632 4.556 0.009 0.000 0.298 118 H C 2.071 177.374 175.328 -0.042 0.000 1.087 118 H CA 1.570 57.582 56.048 -0.059 0.000 1.291 118 H CB -0.429 29.345 29.762 0.019 0.000 1.369 118 H HN 0.117 nan 8.280 nan 0.000 0.492 119 I N -0.303 120.180 120.570 -0.144 0.000 2.194 119 I HA -0.360 3.815 4.170 0.007 0.000 0.246 119 I C 2.148 178.177 176.117 -0.147 0.000 1.093 119 I CA 1.913 63.102 61.300 -0.184 0.000 1.355 119 I CB -0.452 37.422 38.000 -0.210 0.000 1.046 119 I HN 0.444 nan 8.210 nan 0.000 0.413 120 H N -0.271 118.758 119.070 -0.068 0.000 2.421 120 H HA -0.150 4.410 4.556 0.007 0.000 0.298 120 H C 2.515 177.855 175.328 0.020 0.000 1.087 120 H CA 1.649 57.689 56.048 -0.013 0.000 1.330 120 H CB 0.048 29.792 29.762 -0.030 0.000 1.388 120 H HN 0.400 nan 8.280 nan 0.000 0.526 121 S N -0.181 115.551 115.700 0.053 0.000 2.395 121 S HA -0.092 4.383 4.470 0.007 0.000 0.225 121 S C 2.248 176.800 174.600 -0.080 0.000 1.027 121 S CA 0.857 59.047 58.200 -0.016 0.000 0.965 121 S CB -0.563 62.604 63.200 -0.055 0.000 0.812 121 S HN 0.147 nan 8.310 nan 0.000 0.482 122 V N 1.270 121.070 119.914 -0.191 0.000 2.287 122 V HA -0.158 3.966 4.120 0.007 0.000 0.248 122 V C 2.254 178.346 176.094 -0.004 0.000 1.053 122 V CA 2.002 64.204 62.300 -0.164 0.000 1.027 122 V CB -1.098 30.584 31.823 -0.235 0.000 0.646 122 V HN 0.731 nan 8.190 nan 0.000 0.447 123 W N 1.472 122.708 121.300 -0.108 0.000 2.335 123 W HA -0.275 4.389 4.660 0.006 0.000 0.311 123 W C 2.571 179.066 176.519 -0.040 0.000 1.213 123 W CA 2.436 59.747 57.345 -0.057 0.000 1.274 123 W CB -0.183 29.259 29.460 -0.031 0.000 1.148 123 W HN 0.266 nan 8.180 nan 0.000 0.498 124 K N 0.667 121.114 120.400 0.078 0.000 2.032 124 K HA -0.289 4.035 4.320 0.007 0.000 0.209 124 K C 1.799 178.333 176.600 -0.111 0.000 1.048 124 K CA 2.392 58.663 56.287 -0.028 0.000 0.927 124 K CB -0.731 31.797 32.500 0.046 0.000 0.712 124 K HN 0.017 nan 8.250 nan 0.000 0.441 125 D N 0.214 120.560 120.400 -0.089 0.000 2.123 125 D HA -0.171 4.473 4.640 0.007 0.000 0.196 125 D C 1.963 178.177 176.300 -0.144 0.000 0.992 125 D CA 1.194 55.134 54.000 -0.100 0.000 0.833 125 D CB 0.013 40.763 40.800 -0.085 0.000 0.954 125 D HN 0.259 nan 8.370 nan 0.000 0.455 126 L N -0.146 120.956 121.223 -0.202 0.000 2.046 126 L HA -0.150 4.194 4.340 0.007 0.000 0.208 126 L C 2.466 179.158 176.870 -0.297 0.000 1.077 126 L CA 0.714 55.399 54.840 -0.258 0.000 0.747 126 L CB -0.344 41.514 42.059 -0.335 0.000 0.896 126 L HN 0.231 nan 8.230 nan 0.000 0.432 127 L N -0.920 120.078 121.223 -0.375 0.000 2.141 127 L HA -0.166 4.178 4.340 0.007 0.000 0.209 127 L C 2.183 178.947 176.870 -0.176 0.000 1.094 127 L CA 1.149 55.803 54.840 -0.310 0.000 0.763 127 L CB -0.345 41.513 42.059 -0.334 0.000 0.908 127 L HN 0.306 nan 8.230 nan 0.000 0.437 128 E N -1.218 118.897 120.200 -0.142 0.000 2.364 128 E HA -0.029 4.325 4.350 0.007 0.000 0.196 128 E C 0.120 176.674 176.600 -0.076 0.000 0.990 128 E CA 0.054 56.400 56.400 -0.091 0.000 0.886 128 E CB 0.520 30.177 29.700 -0.070 0.000 0.866 128 E HN 0.182 nan 8.360 nan 0.000 0.493 129 D N 0.256 120.603 120.400 -0.088 0.000 2.593 129 D HA 0.061 4.705 4.640 0.007 0.000 0.251 129 D C -0.124 176.128 176.300 -0.079 0.000 1.140 129 D CA -0.271 53.687 54.000 -0.069 0.000 0.855 129 D CB 1.580 42.345 40.800 -0.058 0.000 1.267 129 D HN -0.050 nan 8.370 nan 0.000 0.532 130 T N 0.422 114.938 114.554 -0.064 0.000 3.228 130 T HA 0.230 4.584 4.350 0.007 0.000 0.278 130 T C 1.134 175.807 174.700 -0.044 0.000 1.014 130 T CA 0.308 62.370 62.100 -0.063 0.000 0.904 130 T CB -0.243 68.590 68.868 -0.057 0.000 1.110 130 T HN 0.200 nan 8.240 nan 0.000 0.541 131 V N -2.931 116.962 119.914 -0.036 0.000 3.251 131 V HA 0.369 4.493 4.120 0.007 0.000 0.239 131 V C 0.710 176.797 176.094 -0.011 0.000 1.332 131 V CA -0.028 62.260 62.300 -0.020 0.000 1.224 131 V CB -0.419 31.394 31.823 -0.016 0.000 1.004 131 V HN 0.285 nan 8.190 nan 0.000 0.464 132 T N 4.774 119.319 114.554 -0.015 0.000 2.769 132 T HA 0.331 4.685 4.350 0.007 0.000 0.293 132 T C -2.501 172.200 174.700 0.002 0.000 0.931 132 T CA -0.299 61.800 62.100 -0.002 0.000 1.139 132 T CB 0.628 69.494 68.868 -0.003 0.000 0.881 132 T HN 0.363 nan 8.240 nan 0.000 0.532 133 P HA 0.126 nan 4.420 nan 0.000 0.265 133 P C -0.190 177.111 177.300 0.003 0.000 1.193 133 P CA -0.081 63.033 63.100 0.023 0.000 0.765 133 P CB 0.301 32.051 31.700 0.084 0.000 0.823 134 I N 2.359 122.915 120.570 -0.024 0.000 2.395 134 I HA 0.129 4.303 4.170 0.007 0.000 0.289 134 I C 0.953 177.056 176.117 -0.024 0.000 1.023 134 I CA -0.382 60.908 61.300 -0.015 0.000 1.350 134 I CB 0.598 38.580 38.000 -0.029 0.000 1.409 134 I HN 0.324 nan 8.210 nan 0.000 0.507 135 D N 4.651 125.052 120.400 0.002 0.000 2.414 135 D HA 0.166 4.810 4.640 0.007 0.000 0.242 135 D C -0.251 176.023 176.300 -0.043 0.000 1.129 135 D CA 0.226 54.215 54.000 -0.019 0.000 0.885 135 D CB 0.802 41.608 40.800 0.011 0.000 1.198 135 D HN 0.631 nan 8.370 nan 0.000 0.437 136 T N -0.387 114.109 114.554 -0.097 0.000 2.916 136 T HA 0.583 4.937 4.350 0.007 0.000 0.292 136 T C -0.300 174.247 174.700 -0.256 0.000 1.055 136 T CA -0.999 61.001 62.100 -0.167 0.000 1.009 136 T CB 1.545 70.330 68.868 -0.139 0.000 1.118 136 T HN 0.228 nan 8.240 nan 0.000 0.497 137 T N 2.288 116.529 114.554 -0.521 0.000 2.799 137 T HA 0.520 4.874 4.350 0.007 0.000 0.286 137 T C -0.192 174.180 174.700 -0.546 0.000 0.973 137 T CA -0.564 61.180 62.100 -0.593 0.000 1.035 137 T CB 0.540 68.889 68.868 -0.865 0.000 0.932 137 T HN 0.699 nan 8.240 nan 0.000 0.469 138 I N 4.523 124.960 120.570 -0.222 0.000 2.321 138 I HA 0.446 4.620 4.170 0.007 0.000 0.291 138 I C -0.770 175.345 176.117 -0.003 0.000 0.998 138 I CA -0.690 60.572 61.300 -0.063 0.000 1.227 138 I CB 0.457 38.486 38.000 0.049 0.000 1.368 138 I HN 0.401 nan 8.210 nan 0.000 0.466 139 M N 6.399 126.050 119.600 0.086 0.000 2.644 139 M HA 0.517 5.001 4.480 0.007 0.000 0.304 139 M C -0.460 175.902 176.300 0.103 0.000 1.215 139 M CA -0.649 54.725 55.300 0.124 0.000 0.871 139 M CB 1.822 34.568 32.600 0.243 0.000 1.740 139 M HN 0.575 nan 8.290 nan 0.000 0.464 140 A N 2.189 125.052 122.820 0.071 0.000 2.289 140 A HA 0.466 4.790 4.320 0.007 0.000 0.298 140 A C -0.015 177.607 177.584 0.063 0.000 1.208 140 A CA -0.505 51.567 52.037 0.057 0.000 0.845 140 A CB 0.266 19.287 19.000 0.035 0.000 1.125 140 A HN 0.761 nan 8.150 nan 0.000 0.517 141 K N 1.782 122.220 120.400 0.065 0.000 2.295 141 K HA 0.084 4.408 4.320 0.007 0.000 0.270 141 K C -0.628 175.983 176.600 0.018 0.000 1.011 141 K CA 0.190 56.502 56.287 0.043 0.000 0.953 141 K CB 0.445 32.977 32.500 0.053 0.000 0.956 141 K HN 0.762 nan 8.250 nan 0.000 0.477 142 N N 2.547 121.228 118.700 -0.031 0.000 2.609 142 N HA 0.109 4.853 4.740 0.007 0.000 0.234 142 N C -1.290 174.099 175.510 -0.203 0.000 1.001 142 N CA -0.307 52.686 53.050 -0.095 0.000 0.926 142 N CB 0.993 39.421 38.487 -0.098 0.000 1.130 142 N HN 0.373 nan 8.380 nan 0.000 0.510 143 E N 0.873 120.945 120.200 -0.214 0.000 2.238 143 E HA 0.431 4.785 4.350 0.007 0.000 0.267 143 E C -0.787 175.400 176.600 -0.689 0.000 0.887 143 E CA -0.967 55.185 56.400 -0.412 0.000 0.769 143 E CB 2.506 32.035 29.700 -0.285 0.000 1.187 143 E HN 0.088 nan 8.360 nan 0.000 0.416 144 V N 3.333 122.700 119.914 -0.912 0.000 2.481 144 V HA 0.465 4.589 4.120 0.007 0.000 0.286 144 V C -0.717 174.696 176.094 -1.135 0.000 1.042 144 V CA -0.167 61.610 62.300 -0.870 0.000 0.928 144 V CB 0.246 31.691 31.823 -0.631 0.000 0.986 144 V HN 0.511 nan 8.190 nan 0.000 0.462 145 F N 1.934 121.567 119.950 -0.528 0.000 2.664 145 F HA 0.579 5.109 4.527 0.006 0.000 0.317 145 F C 0.014 175.688 175.800 -0.210 0.000 1.108 145 F CA -0.739 57.029 58.000 -0.386 0.000 0.957 145 F CB 1.312 40.052 39.000 -0.434 0.000 1.365 145 F HN 0.535 nan 8.300 nan 0.000 0.475 146 C N 2.708 122.154 119.300 0.243 0.000 2.358 146 C HA 0.803 5.267 4.460 0.007 0.000 0.342 146 C C 0.124 175.354 174.990 0.400 0.000 1.234 146 C CA -0.674 58.515 59.018 0.285 0.000 1.969 146 C CB 0.059 27.901 27.740 0.171 0.000 2.346 146 C HN 0.741 nan 8.230 nan 0.000 0.525 147 V N 4.937 125.074 119.914 0.373 0.000 2.999 147 V HA 0.434 4.558 4.120 0.007 0.000 0.307 147 V C -0.111 176.056 176.094 0.122 0.000 1.084 147 V CA 0.491 62.921 62.300 0.216 0.000 1.155 147 V CB 0.268 32.139 31.823 0.081 0.000 0.975 147 V HN 1.442 nan 8.190 nan 0.000 0.490 155 K N 2.907 123.339 120.400 0.053 0.000 2.276 155 K HA 0.277 4.601 4.320 0.007 0.000 0.283 155 K C -2.172 174.463 176.600 0.058 0.000 1.044 155 K CA -1.614 54.656 56.287 -0.028 0.000 0.944 155 K CB 0.562 32.896 32.500 -0.276 0.000 1.012 155 K HN 0.206 nan 8.250 nan 0.000 0.472 156 P HA -0.025 nan 4.420 nan 0.000 0.269 156 P C -0.715 176.625 177.300 0.066 0.000 1.215 156 P CA -0.369 62.756 63.100 0.042 0.000 0.780 156 P CB 0.495 32.200 31.700 0.009 0.000 0.898 157 A N 3.256 126.124 122.820 0.079 0.000 2.561 157 A HA 0.018 4.342 4.320 0.007 0.000 0.234 157 A C 0.640 178.268 177.584 0.073 0.000 1.055 157 A CA 0.170 52.260 52.037 0.088 0.000 0.756 157 A CB -0.358 18.681 19.000 0.064 0.000 0.986 157 A HN 0.446 nan 8.150 nan 0.000 0.505 158 R N 0.531 121.090 120.500 0.099 0.000 2.615 158 R HA 0.409 4.753 4.340 0.007 0.000 0.270 158 R C -0.789 175.563 176.300 0.087 0.000 1.081 158 R CA -0.700 55.458 56.100 0.097 0.000 1.154 158 R CB 0.273 30.647 30.300 0.122 0.000 1.063 158 R HN 0.501 nan 8.270 nan 0.000 0.519 159 L N 1.794 123.073 121.223 0.093 0.000 2.352 159 L HA 0.529 4.873 4.340 0.007 0.000 0.269 159 L C -0.263 176.690 176.870 0.139 0.000 1.034 159 L CA -0.621 54.277 54.840 0.097 0.000 0.806 159 L CB 1.082 43.186 42.059 0.075 0.000 1.244 159 L HN 0.516 nan 8.230 nan 0.000 0.447 160 I N 1.017 121.687 120.570 0.166 0.000 2.569 160 I HA 0.603 4.777 4.170 0.007 0.000 0.290 160 I C -1.360 174.916 176.117 0.264 0.000 1.088 160 I CA -0.287 61.149 61.300 0.227 0.000 1.047 160 I CB 2.006 40.147 38.000 0.235 0.000 1.237 160 I HN 0.172 nan 8.210 nan 0.000 0.421 161 V N 8.656 128.722 119.914 0.253 0.000 2.443 161 V HA 0.591 4.715 4.120 0.007 0.000 0.293 161 V C -0.892 175.328 176.094 0.210 0.000 1.021 161 V CA -0.448 61.934 62.300 0.137 0.000 0.848 161 V CB 1.095 32.995 31.823 0.129 0.000 0.998 161 V HN 0.574 nan 8.190 nan 0.000 0.424 162 F N 5.161 125.155 119.950 0.072 0.000 2.591 162 F HA 0.925 5.453 4.527 0.001 0.000 0.309 162 F C -2.961 172.875 175.800 0.061 0.000 1.098 162 F CA -2.773 55.269 58.000 0.070 0.000 0.937 162 F CB 1.743 40.777 39.000 0.058 0.000 1.250 162 F HN 0.281 nan 8.300 nan 0.000 0.447 163 P HA 0.135 nan 4.420 nan 0.000 0.277 163 P C -0.919 176.531 177.300 0.249 0.000 1.271 163 P CA -0.132 63.057 63.100 0.148 0.000 0.795 163 P CB 1.040 32.823 31.700 0.138 0.000 1.101 164 D N -0.844 119.675 120.400 0.199 0.000 2.400 164 D HA -0.057 4.587 4.640 0.007 0.000 0.238 164 D C 1.366 177.799 176.300 0.222 0.000 1.157 164 D CA -0.272 53.867 54.000 0.232 0.000 0.889 164 D CB 0.257 41.239 40.800 0.304 0.000 1.199 164 D HN 0.082 nan 8.370 nan 0.000 0.436 165 L N 3.383 124.710 121.223 0.173 0.000 2.051 165 L HA -0.041 4.303 4.340 0.007 0.000 0.214 165 L C 2.090 179.090 176.870 0.217 0.000 1.076 165 L CA 2.596 57.521 54.840 0.141 0.000 0.758 165 L CB -1.150 40.936 42.059 0.045 0.000 0.890 165 L HN 0.687 nan 8.230 nan 0.000 0.433 166 G N -1.288 107.711 108.800 0.331 0.000 2.446 166 G HA2 -0.236 3.728 3.960 0.007 0.000 0.217 166 G HA3 -0.236 3.728 3.960 0.007 0.000 0.217 166 G C 1.550 176.543 174.900 0.156 0.000 1.168 166 G CA 1.207 46.504 45.100 0.328 0.000 0.771 166 G HN 0.366 nan 8.290 nan 0.000 0.551 167 V N 0.776 120.784 119.914 0.157 0.000 2.343 167 V HA -0.169 3.955 4.120 0.007 0.000 0.247 167 V C 2.924 179.093 176.094 0.126 0.000 1.051 167 V CA 1.970 64.341 62.300 0.117 0.000 1.036 167 V CB -0.488 31.401 31.823 0.109 0.000 0.654 167 V HN 0.335 nan 8.190 nan 0.000 0.451 168 R N -0.191 120.390 120.500 0.135 0.000 2.105 168 R HA -0.131 4.213 4.340 0.007 0.000 0.239 168 R C 2.212 178.562 176.300 0.083 0.000 1.135 168 R CA 1.530 57.699 56.100 0.116 0.000 0.967 168 R CB -0.646 29.713 30.300 0.098 0.000 0.861 168 R HN 0.444 nan 8.270 nan 0.000 0.442 169 V N 0.371 120.326 119.914 0.068 0.000 2.427 169 V HA -0.279 3.845 4.120 0.007 0.000 0.248 169 V C 2.502 178.609 176.094 0.022 0.000 1.051 169 V CA 1.494 63.802 62.300 0.013 0.000 1.048 169 V CB -0.508 31.308 31.823 -0.013 0.000 0.666 169 V HN 0.439 nan 8.190 nan 0.000 0.456 170 C N -0.099 119.256 119.300 0.091 0.000 2.425 170 C HA -0.135 4.329 4.460 0.007 0.000 0.277 170 C C 2.692 177.831 174.990 0.248 0.000 1.280 170 C CA 0.837 59.983 59.018 0.213 0.000 1.744 170 C CB -0.961 26.966 27.740 0.313 0.000 1.989 170 C HN 0.614 nan 8.230 nan 0.000 0.491 171 E N 0.896 121.208 120.200 0.186 0.000 2.070 171 E HA -0.251 4.103 4.350 0.007 0.000 0.197 171 E C 2.145 178.849 176.600 0.173 0.000 1.004 171 E CA 1.353 57.873 56.400 0.202 0.000 0.805 171 E CB -0.179 29.648 29.700 0.212 0.000 0.744 171 E HN 0.646 nan 8.360 nan 0.000 0.451 172 K N 0.300 120.767 120.400 0.113 0.000 2.026 172 K HA -0.137 4.187 4.320 0.007 0.000 0.208 172 K C 2.208 178.850 176.600 0.071 0.000 1.048 172 K CA 1.445 57.783 56.287 0.085 0.000 0.929 172 K CB -0.157 32.316 32.500 -0.044 0.000 0.713 172 K HN 0.089 nan 8.250 nan 0.000 0.439 173 M N 0.377 119.976 119.600 -0.002 0.000 2.082 173 M HA -0.231 4.253 4.480 0.007 0.000 0.258 173 M C 2.405 178.729 176.300 0.039 0.000 1.069 173 M CA 1.976 57.211 55.300 -0.108 0.000 1.102 173 M CB -0.334 32.002 32.600 -0.439 0.000 1.336 173 M HN 0.270 nan 8.290 nan 0.000 0.404 174 A N -0.813 122.144 122.820 0.230 0.000 1.929 174 A HA 0.019 4.343 4.320 0.007 0.000 0.216 174 A C 1.810 179.487 177.584 0.155 0.000 1.176 174 A CA 1.278 53.493 52.037 0.297 0.000 0.628 174 A CB -0.206 19.004 19.000 0.349 0.000 0.816 174 A HN 0.511 nan 8.150 nan 0.000 0.444 175 L N -3.131 118.168 121.223 0.127 0.000 3.217 175 L HA 0.198 4.542 4.340 0.007 0.000 0.288 175 L C 1.672 178.572 176.870 0.049 0.000 1.202 175 L CA -0.023 54.837 54.840 0.033 0.000 1.027 175 L CB 0.193 42.239 42.059 -0.022 0.000 1.427 175 L HN 0.446 nan 8.230 nan 0.000 0.600 176 Y N 1.331 121.639 120.300 0.013 0.000 2.181 176 Y HA -0.299 4.255 4.550 0.007 0.000 0.288 176 Y C 2.148 178.077 175.900 0.048 0.000 1.146 176 Y CA 2.240 60.362 58.100 0.038 0.000 1.164 176 Y CB 0.117 38.587 38.460 0.016 0.000 0.982 176 Y HN 0.224 nan 8.280 nan 0.000 0.515 177 D N -0.636 119.753 120.400 -0.018 0.000 2.117 177 D HA -0.165 4.479 4.640 0.007 0.000 0.198 177 D C 2.248 178.472 176.300 -0.127 0.000 0.982 177 D CA 1.521 55.466 54.000 -0.092 0.000 0.828 177 D CB -0.239 40.576 40.800 0.024 0.000 0.967 177 D HN 0.256 nan 8.370 nan 0.000 0.464 178 V N 0.531 120.386 119.914 -0.099 0.000 2.255 178 V HA -0.244 3.880 4.120 0.007 0.000 0.247 178 V C 2.672 178.662 176.094 -0.173 0.000 1.051 178 V CA 1.964 64.189 62.300 -0.124 0.000 1.018 178 V CB -0.769 30.960 31.823 -0.157 0.000 0.641 178 V HN 0.339 nan 8.190 nan 0.000 0.445 179 V N -2.752 117.042 119.914 -0.200 0.000 3.041 179 V HA -0.047 4.077 4.120 0.007 0.000 0.260 179 V C 2.043 178.000 176.094 -0.228 0.000 1.105 179 V CA 1.889 64.068 62.300 -0.201 0.000 1.125 179 V CB -0.212 31.519 31.823 -0.153 0.000 0.730 179 V HN 0.445 nan 8.190 nan 0.000 0.479 180 S N 0.586 116.137 115.700 -0.250 0.000 2.425 180 S HA -0.027 4.447 4.470 0.007 0.000 0.225 180 S C 1.905 176.406 174.600 -0.165 0.000 1.024 180 S CA 1.609 59.673 58.200 -0.226 0.000 0.951 180 S CB -0.050 62.941 63.200 -0.348 0.000 0.796 180 S HN 0.767 nan 8.310 nan 0.000 0.498 181 T N 1.610 116.064 114.554 -0.166 0.000 3.038 181 T HA 0.238 4.592 4.350 0.007 0.000 0.244 181 T C 1.674 176.276 174.700 -0.163 0.000 1.016 181 T CA 0.052 62.074 62.100 -0.130 0.000 1.098 181 T CB -0.189 68.624 68.868 -0.092 0.000 0.954 181 T HN 0.154 nan 8.240 nan 0.000 0.469 182 L N 2.489 123.609 121.223 -0.172 0.000 2.017 182 L HA 0.063 4.407 4.340 0.007 0.000 0.208 182 L C -1.078 175.632 176.870 -0.266 0.000 1.073 182 L CA 1.913 56.657 54.840 -0.160 0.000 0.745 182 L CB -1.057 40.951 42.059 -0.086 0.000 0.894 182 L HN 0.075 nan 8.230 nan 0.000 0.432 183 P HA -0.216 nan 4.420 nan 0.000 0.215 183 P C 1.399 178.276 177.300 -0.705 0.000 1.153 183 P CA 1.321 64.006 63.100 -0.690 0.000 0.853 183 P CB -0.218 30.754 31.700 -1.213 0.000 0.788 184 Q N 0.082 119.531 119.800 -0.586 0.000 2.167 184 Q HA -0.088 4.256 4.340 0.007 0.000 0.202 184 Q C 1.913 177.800 176.000 -0.188 0.000 0.970 184 Q CA 1.323 56.967 55.803 -0.265 0.000 0.855 184 Q CB -0.633 28.052 28.738 -0.088 0.000 0.911 184 Q HN 0.079 nan 8.270 nan 0.000 0.438 185 V N 0.192 119.997 119.914 -0.181 0.000 2.358 185 V HA -0.205 3.919 4.120 0.007 0.000 0.246 185 V C 2.482 178.493 176.094 -0.139 0.000 1.047 185 V CA 1.448 63.672 62.300 -0.126 0.000 1.035 185 V CB -0.415 31.349 31.823 -0.098 0.000 0.658 185 V HN 0.138 nan 8.190 nan 0.000 0.452 186 V N -0.925 118.871 119.914 -0.196 0.000 2.488 186 V HA -0.130 3.994 4.120 0.007 0.000 0.246 186 V C 1.996 177.922 176.094 -0.280 0.000 1.046 186 V CA 1.948 64.126 62.300 -0.203 0.000 1.053 186 V CB -0.347 31.344 31.823 -0.221 0.000 0.679 186 V HN 0.472 nan 8.190 nan 0.000 0.458 187 M N -1.466 117.913 119.600 -0.368 0.000 2.331 187 M HA 0.380 4.864 4.480 0.007 0.000 0.266 187 M C 1.475 177.666 176.300 -0.182 0.000 1.055 187 M CA 0.765 55.779 55.300 -0.475 0.000 1.048 187 M CB 0.676 32.862 32.600 -0.690 0.000 1.460 187 M HN 0.437 nan 8.290 nan 0.000 0.519 188 G N 1.693 110.420 108.800 -0.121 0.000 2.611 188 G HA2 -0.402 3.562 3.960 0.007 0.000 0.301 188 G HA3 -0.402 3.562 3.960 0.007 0.000 0.301 188 G C 0.839 175.714 174.900 -0.041 0.000 1.233 188 G CA 0.910 45.980 45.100 -0.049 0.000 0.993 188 G HN 0.527 nan 8.290 nan 0.000 0.553 189 S N -0.592 115.114 115.700 0.011 0.000 2.474 189 S HA 0.065 4.540 4.470 0.007 0.000 0.235 189 S C 2.224 176.747 174.600 -0.129 0.000 0.997 189 S CA 1.973 60.170 58.200 -0.005 0.000 0.949 189 S CB -0.168 63.134 63.200 0.171 0.000 0.766 189 S HN 1.082 nan 8.310 nan 0.000 0.517 190 S N 0.259 115.962 115.700 0.004 0.000 2.515 190 S HA 0.092 4.566 4.470 0.007 0.000 0.231 190 S C 0.236 174.817 174.600 -0.033 0.000 0.987 190 S CA 0.013 58.238 58.200 0.042 0.000 0.936 190 S CB -0.452 62.881 63.200 0.221 0.000 0.766 190 S HN 0.713 nan 8.310 nan 0.000 0.528 191 Y N 3.087 123.236 120.300 -0.250 0.000 2.584 191 Y HA 0.451 5.005 4.550 0.006 0.000 0.351 191 Y C 1.273 176.929 175.900 -0.406 0.000 1.030 191 Y CA -1.522 56.395 58.100 -0.305 0.000 1.332 191 Y CB -0.100 38.187 38.460 -0.288 0.000 1.148 191 Y HN 0.059 nan 8.280 nan 0.000 0.528 192 G N 4.410 112.732 108.800 -0.796 0.000 2.432 192 G HA2 -0.271 3.693 3.960 0.007 0.000 0.219 192 G HA3 -0.271 3.693 3.960 0.007 0.000 0.219 192 G C 1.014 175.382 174.900 -0.886 0.000 1.135 192 G CA 0.365 45.019 45.100 -0.744 0.000 0.767 192 G HN 0.626 nan 8.290 nan 0.000 0.550 193 F N 1.134 120.376 119.950 -1.180 0.000 2.811 193 F HA 0.094 4.626 4.527 0.007 0.000 0.301 193 F C 2.738 178.319 175.800 -0.365 0.000 1.151 193 F CA 0.567 58.040 58.000 -0.879 0.000 1.412 193 F CB -0.031 38.461 39.000 -0.846 0.000 1.113 193 F HN 0.366 nan 8.300 nan 0.000 0.579 194 Q N -0.705 118.834 119.800 -0.435 0.000 2.472 194 Q HA -0.087 4.257 4.340 0.007 0.000 0.208 194 Q C -0.659 175.211 176.000 -0.216 0.000 0.958 194 Q CA 0.787 56.434 55.803 -0.259 0.000 0.932 194 Q CB -0.305 28.175 28.738 -0.429 0.000 1.007 194 Q HN 0.283 nan 8.270 nan 0.000 0.508 195 Y N 2.023 122.321 120.300 -0.004 0.000 2.331 195 Y HA 0.280 4.834 4.550 0.007 0.000 0.338 195 Y C 0.551 176.219 175.900 -0.385 0.000 0.992 195 Y CA -1.400 56.612 58.100 -0.147 0.000 1.121 195 Y CB 1.395 39.742 38.460 -0.188 0.000 1.184 195 Y HN 0.112 nan 8.280 nan 0.000 0.469 196 S N 3.351 118.646 115.700 -0.674 0.000 2.580 196 S HA 0.073 4.547 4.470 0.007 0.000 0.261 196 S C -1.873 172.372 174.600 -0.592 0.000 1.366 196 S CA -0.841 56.556 58.200 -1.339 0.000 0.996 196 S CB 0.773 63.414 63.200 -0.931 0.000 0.902 196 S HN 0.454 nan 8.310 nan 0.000 0.566 197 P HA 0.001 nan 4.420 nan 0.000 0.215 197 P C 1.750 178.922 177.300 -0.214 0.000 1.153 197 P CA 1.727 64.653 63.100 -0.291 0.000 0.853 197 P CB -0.574 30.944 31.700 -0.303 0.000 0.788 198 G N -0.316 108.314 108.800 -0.285 0.000 2.418 198 G HA2 -0.278 3.686 3.960 0.007 0.000 0.217 198 G HA3 -0.278 3.686 3.960 0.007 0.000 0.217 198 G C 1.563 176.386 174.900 -0.130 0.000 1.158 198 G CA 0.634 45.642 45.100 -0.153 0.000 0.771 198 G HN 0.304 nan 8.290 nan 0.000 0.545 199 Q N -0.611 119.092 119.800 -0.161 0.000 2.119 199 Q HA 0.018 4.362 4.340 0.007 0.000 0.201 199 Q C 2.629 178.452 176.000 -0.295 0.000 0.972 199 Q CA 0.890 56.606 55.803 -0.145 0.000 0.847 199 Q CB -0.118 28.616 28.738 -0.006 0.000 0.903 199 Q HN 0.424 nan 8.270 nan 0.000 0.433 200 R N 0.253 120.604 120.500 -0.249 0.000 2.075 200 R HA -0.118 4.226 4.340 0.007 0.000 0.232 200 R C 2.069 178.275 176.300 -0.156 0.000 1.126 200 R CA 1.317 57.258 56.100 -0.265 0.000 0.963 200 R CB -0.015 30.227 30.300 -0.097 0.000 0.858 200 R HN 0.129 nan 8.270 nan 0.000 0.435 201 V N 1.151 121.003 119.914 -0.104 0.000 2.427 201 V HA -0.213 3.911 4.120 0.007 0.000 0.248 201 V C 2.342 178.374 176.094 -0.104 0.000 1.051 201 V CA 2.131 64.385 62.300 -0.077 0.000 1.048 201 V CB -0.723 31.094 31.823 -0.011 0.000 0.666 201 V HN 0.470 nan 8.190 nan 0.000 0.456 202 E N 0.196 120.338 120.200 -0.097 0.000 2.058 202 E HA -0.292 4.062 4.350 0.007 0.000 0.194 202 E C 2.105 178.637 176.600 -0.114 0.000 0.997 202 E CA 1.870 58.214 56.400 -0.092 0.000 0.801 202 E CB -0.255 29.404 29.700 -0.068 0.000 0.746 202 E HN 0.564 nan 8.360 nan 0.000 0.450 203 F N 1.042 120.807 119.950 -0.307 0.000 2.134 203 F HA -0.127 4.405 4.527 0.007 0.000 0.299 203 F C 1.934 177.605 175.800 -0.215 0.000 1.097 203 F CA 1.220 59.031 58.000 -0.315 0.000 1.264 203 F CB -0.083 38.562 39.000 -0.591 0.000 1.001 203 F HN 0.012 nan 8.300 nan 0.000 0.479 204 L N -0.755 120.370 121.223 -0.164 0.000 2.056 204 L HA -0.204 4.140 4.340 0.007 0.000 0.207 204 L C 2.301 179.033 176.870 -0.229 0.000 1.078 204 L CA 0.997 55.718 54.840 -0.199 0.000 0.749 204 L CB -0.722 41.258 42.059 -0.131 0.000 0.901 204 L HN 0.009 nan 8.230 nan 0.000 0.433 205 V N -0.363 119.395 119.914 -0.259 0.000 2.379 205 V HA -0.198 3.926 4.120 0.007 0.000 0.245 205 V C 2.122 178.099 176.094 -0.196 0.000 1.044 205 V CA 1.604 63.720 62.300 -0.307 0.000 1.036 205 V CB -0.675 30.836 31.823 -0.520 0.000 0.664 205 V HN 0.438 nan 8.190 nan 0.000 0.453 206 N N 0.319 118.894 118.700 -0.209 0.000 2.166 206 N HA -0.129 4.615 4.740 0.007 0.000 0.186 206 N C 1.910 177.292 175.510 -0.213 0.000 1.019 206 N CA 1.880 54.823 53.050 -0.178 0.000 0.856 206 N CB -0.634 37.757 38.487 -0.160 0.000 0.993 206 N HN 0.454 nan 8.380 nan 0.000 0.426 207 T N 0.318 114.663 114.554 -0.348 0.000 2.737 207 T HA -0.140 4.214 4.350 0.007 0.000 0.265 207 T C 1.500 176.113 174.700 -0.146 0.000 1.038 207 T CA 0.673 62.565 62.100 -0.348 0.000 1.144 207 T CB -0.267 68.235 68.868 -0.610 0.000 0.866 207 T HN 0.420 nan 8.240 nan 0.000 0.434 208 W N 2.275 123.411 121.300 -0.274 0.000 2.335 208 W HA -0.130 4.534 4.660 0.007 0.000 0.311 208 W C 1.887 178.313 176.519 -0.155 0.000 1.213 208 W CA 1.293 58.519 57.345 -0.198 0.000 1.274 208 W CB -0.208 29.130 29.460 -0.203 0.000 1.148 208 W HN 0.237 nan 8.180 nan 0.000 0.498 209 K N 0.287 120.698 120.400 0.019 0.000 2.283 209 K HA -0.141 4.183 4.320 0.007 0.000 0.202 209 K C 2.117 178.650 176.600 -0.110 0.000 1.048 209 K CA 1.570 57.827 56.287 -0.050 0.000 0.948 209 K CB -0.293 32.196 32.500 -0.019 0.000 0.742 209 K HN 0.076 nan 8.250 nan 0.000 0.458 210 S N 0.474 116.096 115.700 -0.129 0.000 2.561 210 S HA 0.005 4.479 4.470 0.007 0.000 0.225 210 S C 0.438 174.952 174.600 -0.143 0.000 0.977 210 S CA 0.243 58.370 58.200 -0.122 0.000 0.926 210 S CB 0.077 63.204 63.200 -0.121 0.000 0.769 210 S HN -0.043 nan 8.310 nan 0.000 0.533 211 K N 1.683 121.957 120.400 -0.210 0.000 2.130 211 K HA 0.386 4.710 4.320 0.007 0.000 0.268 211 K C 0.514 176.992 176.600 -0.203 0.000 0.983 211 K CA -0.429 55.723 56.287 -0.225 0.000 0.893 211 K CB 1.264 33.568 32.500 -0.326 0.000 1.066 211 K HN 0.109 nan 8.250 nan 0.000 0.450 212 K N 1.081 121.392 120.400 -0.148 0.000 2.002 212 K HA -0.066 4.258 4.320 0.007 0.000 0.209 212 K C 0.252 176.772 176.600 -0.134 0.000 1.048 212 K CA 1.239 57.457 56.287 -0.116 0.000 0.930 212 K CB 0.133 32.585 32.500 -0.081 0.000 0.714 212 K HN 0.463 nan 8.250 nan 0.000 0.438 213 N N 1.279 119.889 118.700 -0.151 0.000 2.716 213 N HA 0.191 4.935 4.740 0.007 0.000 0.253 213 N C -2.876 172.498 175.510 -0.228 0.000 1.170 213 N CA -1.118 51.842 53.050 -0.150 0.000 0.807 213 N CB 1.828 40.270 38.487 -0.075 0.000 1.183 213 N HN 0.023 nan 8.380 nan 0.000 0.524 214 P HA 0.103 nan 4.420 nan 0.000 0.271 214 P C -0.350 176.635 177.300 -0.525 0.000 1.216 214 P CA -0.156 62.473 63.100 -0.784 0.000 0.771 214 P CB 1.219 31.788 31.700 -1.885 0.000 0.864 215 M N 2.596 122.002 119.600 -0.323 0.000 2.591 215 M HA 0.712 5.196 4.480 0.007 0.000 0.306 215 M C -0.934 175.345 176.300 -0.035 0.000 1.190 215 M CA -0.416 54.767 55.300 -0.195 0.000 0.889 215 M CB 2.595 35.109 32.600 -0.145 0.000 1.728 215 M HN 0.559 nan 8.290 nan 0.000 0.458 216 G N 3.031 111.895 108.800 0.107 0.000 2.690 216 G HA2 0.800 4.764 3.960 0.007 0.000 0.293 216 G HA3 0.800 4.764 3.960 0.007 0.000 0.293 216 G C -2.071 172.946 174.900 0.195 0.000 1.399 216 G CA -0.626 44.572 45.100 0.163 0.000 0.890 216 G HN 0.832 nan 8.290 nan 0.000 0.485 217 F N -0.514 119.403 119.950 -0.054 0.000 2.665 217 F HA 0.764 5.295 4.527 0.007 0.000 0.308 217 F C -0.284 175.509 175.800 -0.012 0.000 1.112 217 F CA -1.443 56.527 58.000 -0.050 0.000 0.972 217 F CB 1.262 40.217 39.000 -0.076 0.000 1.295 217 F HN 0.647 nan 8.300 nan 0.000 0.440 218 S N 1.495 117.267 115.700 0.119 0.000 2.554 218 S HA 0.585 5.059 4.470 0.007 0.000 0.278 218 S C -1.418 173.365 174.600 0.306 0.000 1.242 218 S CA -0.530 57.728 58.200 0.096 0.000 1.051 218 S CB 1.389 64.632 63.200 0.071 0.000 0.986 218 S HN 0.825 nan 8.310 nan 0.000 0.502 219 Y N 1.646 122.052 120.300 0.176 0.000 2.334 219 Y HA 0.407 4.961 4.550 0.007 0.000 0.336 219 Y C -0.711 175.314 175.900 0.208 0.000 0.960 219 Y CA -0.912 57.360 58.100 0.287 0.000 1.164 219 Y CB 1.287 40.014 38.460 0.446 0.000 1.155 219 Y HN 0.825 nan 8.280 nan 0.000 0.478 220 D N 4.622 124.925 120.400 -0.161 0.000 2.441 220 D HA 0.172 4.816 4.640 0.007 0.000 0.221 220 D C -0.602 175.558 176.300 -0.233 0.000 1.156 220 D CA -0.005 53.928 54.000 -0.112 0.000 0.896 220 D CB 0.648 41.398 40.800 -0.083 0.000 1.028 220 D HN 0.483 nan 8.370 nan 0.000 0.509 221 T N 3.684 118.262 114.554 0.040 0.000 2.901 221 T HA 0.082 4.436 4.350 0.007 0.000 0.301 221 T C 0.497 175.271 174.700 0.123 0.000 1.012 221 T CA -0.468 61.722 62.100 0.151 0.000 1.135 221 T CB 0.750 69.927 68.868 0.516 0.000 0.936 221 T HN 0.274 nan 8.240 nan 0.000 0.539 222 R N 2.633 123.167 120.500 0.057 0.000 2.345 222 R HA 0.106 4.450 4.340 0.007 0.000 0.331 222 R C 0.005 176.402 176.300 0.162 0.000 1.067 222 R CA -0.173 55.959 56.100 0.053 0.000 0.962 222 R CB -0.956 29.312 30.300 -0.054 0.000 0.987 222 R HN 0.936 nan 8.270 nan 0.000 0.451 223 C N 6.488 125.920 119.300 0.221 0.000 3.004 223 C HA -0.193 4.271 4.460 0.007 0.000 0.267 223 C C 1.170 176.374 174.990 0.357 0.000 1.211 223 C CA 0.067 59.268 59.018 0.305 0.000 2.485 223 C CB -2.352 25.614 27.740 0.377 0.000 1.539 223 C HN 1.041 nan 8.230 nan 0.000 0.462 224 F N 2.188 122.258 119.950 0.199 0.000 2.091 224 F HA -0.086 4.445 4.527 0.006 0.000 0.299 224 F C 1.850 177.758 175.800 0.181 0.000 1.103 224 F CA 2.530 60.645 58.000 0.192 0.000 1.228 224 F CB -0.097 39.004 39.000 0.168 0.000 0.984 224 F HN 0.619 nan 8.300 nan 0.000 0.477 225 D N -0.348 120.305 120.400 0.423 0.000 2.133 225 D HA -0.184 4.460 4.640 0.007 0.000 0.195 225 D C 2.427 178.807 176.300 0.134 0.000 0.997 225 D CA 1.830 56.001 54.000 0.286 0.000 0.840 225 D CB -0.641 40.315 40.800 0.259 0.000 0.947 225 D HN 0.251 nan 8.370 nan 0.000 0.452 226 S N -0.421 115.360 115.700 0.135 0.000 2.447 226 S HA -0.106 4.368 4.470 0.007 0.000 0.233 226 S C 2.039 176.592 174.600 -0.079 0.000 1.006 226 S CA 1.371 59.539 58.200 -0.054 0.000 0.957 226 S CB -0.284 62.823 63.200 -0.155 0.000 0.773 226 S HN 0.535 nan 8.310 nan 0.000 0.507 227 T N -0.240 114.355 114.554 0.068 0.000 3.055 227 T HA 0.095 4.449 4.350 0.007 0.000 0.265 227 T C 0.634 175.274 174.700 -0.099 0.000 1.111 227 T CA 0.090 62.212 62.100 0.036 0.000 1.118 227 T CB -0.478 68.351 68.868 -0.065 0.000 0.909 227 T HN 0.064 nan 8.240 nan 0.000 0.501 228 V N 3.950 123.791 119.914 -0.121 0.000 2.479 228 V HA 0.341 4.465 4.120 0.007 0.000 0.281 228 V C 1.107 177.170 176.094 -0.051 0.000 1.031 228 V CA -0.303 61.951 62.300 -0.077 0.000 1.038 228 V CB 0.086 31.914 31.823 0.009 0.000 0.981 228 V HN 0.710 nan 8.190 nan 0.000 0.478 229 T N 0.708 115.240 114.554 -0.037 0.000 2.897 229 T HA 0.330 4.684 4.350 0.007 0.000 0.278 229 T C 1.036 175.732 174.700 -0.006 0.000 0.981 229 T CA -0.304 61.778 62.100 -0.030 0.000 0.973 229 T CB 1.557 70.402 68.868 -0.037 0.000 1.092 229 T HN 0.663 nan 8.240 nan 0.000 0.543 230 E N 0.419 120.620 120.200 0.003 0.000 2.085 230 E HA -0.281 4.073 4.350 0.007 0.000 0.194 230 E C 1.956 178.567 176.600 0.018 0.000 0.994 230 E CA 1.695 58.106 56.400 0.019 0.000 0.801 230 E CB -0.270 29.447 29.700 0.028 0.000 0.743 230 E HN 0.763 nan 8.360 nan 0.000 0.453 231 N N 0.728 119.431 118.700 0.006 0.000 2.060 231 N HA -0.223 4.521 4.740 0.007 0.000 0.195 231 N C 1.467 176.994 175.510 0.027 0.000 1.028 231 N CA 2.278 55.333 53.050 0.008 0.000 0.861 231 N CB -0.168 38.306 38.487 -0.021 0.000 1.029 231 N HN 0.153 nan 8.380 nan 0.000 0.428 232 D N -0.132 120.284 120.400 0.026 0.000 2.117 232 D HA -0.115 4.529 4.640 0.007 0.000 0.197 232 D C 1.979 178.294 176.300 0.026 0.000 0.987 232 D CA 1.054 55.081 54.000 0.045 0.000 0.829 232 D CB -0.255 40.570 40.800 0.041 0.000 0.961 232 D HN 0.471 nan 8.370 nan 0.000 0.460 233 I N 0.461 121.048 120.570 0.029 0.000 2.353 233 I HA -0.143 4.031 4.170 0.007 0.000 0.248 233 I C 2.461 178.589 176.117 0.018 0.000 1.119 233 I CA 0.686 62.008 61.300 0.037 0.000 1.417 233 I CB -0.025 38.021 38.000 0.076 0.000 1.078 233 I HN -0.125 nan 8.210 nan 0.000 0.421 234 R N 0.126 120.637 120.500 0.020 0.000 2.092 234 R HA -0.088 4.256 4.340 0.007 0.000 0.231 234 R C 2.317 178.598 176.300 -0.032 0.000 1.119 234 R CA 1.080 57.184 56.100 0.008 0.000 0.970 234 R CB -0.394 29.917 30.300 0.017 0.000 0.864 234 R HN 0.214 nan 8.270 nan 0.000 0.440 235 V N 1.438 121.335 119.914 -0.028 0.000 2.427 235 V HA -0.226 3.898 4.120 0.007 0.000 0.248 235 V C 1.921 177.921 176.094 -0.157 0.000 1.051 235 V CA 1.780 64.047 62.300 -0.054 0.000 1.048 235 V CB -0.391 31.437 31.823 0.009 0.000 0.666 235 V HN 0.347 nan 8.190 nan 0.000 0.456 236 E N -0.292 119.783 120.200 -0.208 0.000 2.058 236 E HA -0.260 4.094 4.350 0.007 0.000 0.194 236 E C 2.358 178.442 176.600 -0.860 0.000 0.997 236 E CA 1.362 57.470 56.400 -0.486 0.000 0.801 236 E CB -0.199 29.272 29.700 -0.381 0.000 0.746 236 E HN 0.545 nan 8.360 nan 0.000 0.450 237 E N 0.734 120.662 120.200 -0.454 0.000 2.085 237 E HA -0.209 4.145 4.350 0.007 0.000 0.194 237 E C 2.211 178.724 176.600 -0.146 0.000 0.994 237 E CA 1.575 57.842 56.400 -0.221 0.000 0.801 237 E CB -0.048 29.669 29.700 0.029 0.000 0.743 237 E HN 0.241 nan 8.360 nan 0.000 0.453 238 S N 0.361 115.985 115.700 -0.128 0.000 2.400 238 S HA -0.162 4.312 4.470 0.007 0.000 0.232 238 S C 2.165 176.713 174.600 -0.086 0.000 1.025 238 S CA 1.252 59.408 58.200 -0.074 0.000 0.993 238 S CB -0.607 62.559 63.200 -0.057 0.000 0.808 238 S HN 0.298 nan 8.310 nan 0.000 0.478 239 I N 0.048 120.513 120.570 -0.174 0.000 2.233 239 I HA -0.110 4.064 4.170 0.007 0.000 0.243 239 I C 2.340 178.446 176.117 -0.018 0.000 1.093 239 I CA 1.243 62.463 61.300 -0.133 0.000 1.380 239 I CB -0.529 37.358 38.000 -0.189 0.000 1.067 239 I HN 0.223 nan 8.210 nan 0.000 0.413 240 Y N 1.018 121.313 120.300 -0.008 0.000 2.165 240 Y HA -0.226 4.328 4.550 0.007 0.000 0.286 240 Y C 2.630 178.534 175.900 0.008 0.000 1.155 240 Y CA 0.708 58.808 58.100 0.000 0.000 1.164 240 Y CB -1.086 37.388 38.460 0.024 0.000 0.978 240 Y HN 0.243 nan 8.280 nan 0.000 0.513 241 Q N -1.196 118.692 119.800 0.148 0.000 2.436 241 Q HA -0.088 4.256 4.340 0.007 0.000 0.209 241 Q C 2.329 178.361 176.000 0.053 0.000 0.965 241 Q CA 0.795 56.653 55.803 0.091 0.000 0.910 241 Q CB -0.720 28.056 28.738 0.064 0.000 0.980 241 Q HN 0.525 nan 8.270 nan 0.000 0.491 242 C N 0.322 119.646 119.300 0.039 0.000 2.419 242 C HA -0.073 4.391 4.460 0.007 0.000 0.281 242 C C 1.618 176.624 174.990 0.027 0.000 1.336 242 C CA -0.586 58.444 59.018 0.022 0.000 1.770 242 C CB -0.749 26.993 27.740 0.004 0.000 1.929 242 C HN 0.406 nan 8.230 nan 0.000 0.509 243 C N 2.034 121.360 119.300 0.044 0.000 2.703 243 C HA 0.101 4.565 4.460 0.007 0.000 0.411 243 C C 0.576 175.585 174.990 0.032 0.000 1.290 243 C CA -0.230 58.809 59.018 0.035 0.000 2.054 243 C CB -0.378 27.388 27.740 0.044 0.000 2.732 243 C HN 0.504 nan 8.230 nan 0.000 0.650 244 D N 2.081 122.495 120.400 0.023 0.000 2.344 244 D HA 0.398 5.042 4.640 0.007 0.000 0.253 244 D C -0.569 175.749 176.300 0.030 0.000 1.255 244 D CA 0.439 54.453 54.000 0.023 0.000 0.894 244 D CB -0.012 40.798 40.800 0.016 0.000 1.067 244 D HN 0.387 nan 8.370 nan 0.000 0.492 245 L N 2.141 123.387 121.223 0.038 0.000 2.370 245 L HA 0.633 4.977 4.340 0.007 0.000 0.266 245 L C 0.375 177.275 176.870 0.050 0.000 1.002 245 L CA -1.493 53.376 54.840 0.048 0.000 0.818 245 L CB 1.866 43.961 42.059 0.060 0.000 1.325 245 L HN 0.310 nan 8.230 nan 0.000 0.418 246 A N 2.263 125.120 122.820 0.061 0.000 2.483 246 A HA 0.317 4.641 4.320 0.007 0.000 0.238 246 A C -1.791 175.836 177.584 0.072 0.000 1.070 246 A CA -0.777 51.300 52.037 0.066 0.000 0.770 246 A CB -0.142 18.906 19.000 0.080 0.000 1.008 246 A HN 0.634 nan 8.150 nan 0.000 0.497 247 P HA -0.149 nan 4.420 nan 0.000 0.218 247 P C 1.115 178.447 177.300 0.054 0.000 1.148 247 P CA 1.440 64.568 63.100 0.048 0.000 0.822 247 P CB 0.194 31.916 31.700 0.036 0.000 0.784 248 E N -0.526 119.731 120.200 0.095 0.000 2.077 248 E HA -0.164 4.190 4.350 0.007 0.000 0.193 248 E C 2.077 178.753 176.600 0.125 0.000 0.989 248 E CA 1.169 57.644 56.400 0.124 0.000 0.800 248 E CB -0.476 29.404 29.700 0.300 0.000 0.746 248 E HN 0.141 nan 8.360 nan 0.000 0.452 249 A N 1.644 124.576 122.820 0.187 0.000 1.883 249 A HA -0.227 4.097 4.320 0.007 0.000 0.217 249 A C 2.061 179.699 177.584 0.091 0.000 1.186 249 A CA 1.432 53.580 52.037 0.185 0.000 0.624 249 A CB -0.488 18.608 19.000 0.160 0.000 0.822 249 A HN 0.113 nan 8.150 nan 0.000 0.444 250 R N -1.102 119.438 120.500 0.066 0.000 2.103 250 R HA -0.226 4.118 4.340 0.007 0.000 0.242 250 R C 2.495 178.801 176.300 0.010 0.000 1.142 250 R CA 1.832 57.960 56.100 0.046 0.000 0.960 250 R CB -0.334 29.989 30.300 0.038 0.000 0.858 250 R HN 0.675 nan 8.270 nan 0.000 0.439 251 Q N 0.645 120.427 119.800 -0.030 0.000 2.079 251 Q HA -0.056 4.288 4.340 0.007 0.000 0.200 251 Q C 1.943 177.855 176.000 -0.146 0.000 0.974 251 Q CA 1.942 57.693 55.803 -0.086 0.000 0.840 251 Q CB -0.209 28.460 28.738 -0.115 0.000 0.898 251 Q HN 0.335 nan 8.270 nan 0.000 0.430 252 A N -0.088 122.602 122.820 -0.215 0.000 1.969 252 A HA -0.084 4.240 4.320 0.007 0.000 0.218 252 A C 2.087 179.605 177.584 -0.111 0.000 1.169 252 A CA 1.275 53.130 52.037 -0.304 0.000 0.635 252 A CB -0.600 18.077 19.000 -0.539 0.000 0.810 252 A HN 0.475 nan 8.150 nan 0.000 0.445 253 I N -0.696 119.872 120.570 -0.005 0.000 2.286 253 I HA -0.211 3.963 4.170 0.007 0.000 0.245 253 I C 2.505 178.672 176.117 0.083 0.000 1.104 253 I CA 1.568 62.922 61.300 0.091 0.000 1.397 253 I CB -0.163 37.924 38.000 0.145 0.000 1.072 253 I HN 0.336 nan 8.210 nan 0.000 0.417 254 K N 0.422 120.843 120.400 0.035 0.000 2.026 254 K HA -0.218 4.107 4.320 0.007 0.000 0.208 254 K C 2.368 178.953 176.600 -0.025 0.000 1.048 254 K CA 1.889 58.187 56.287 0.019 0.000 0.929 254 K CB -0.117 32.382 32.500 -0.002 0.000 0.713 254 K HN 0.126 nan 8.250 nan 0.000 0.439 255 S N 0.704 116.358 115.700 -0.076 0.000 2.356 255 S HA -0.078 4.396 4.470 0.007 0.000 0.223 255 S C 1.994 176.505 174.600 -0.149 0.000 1.032 255 S CA 1.057 59.189 58.200 -0.112 0.000 1.005 255 S CB -0.237 62.869 63.200 -0.157 0.000 0.867 255 S HN 0.328 nan 8.310 nan 0.000 0.449 256 L N 0.782 121.887 121.223 -0.196 0.000 2.042 256 L HA -0.122 4.222 4.340 0.007 0.000 0.210 256 L C 2.749 179.317 176.870 -0.504 0.000 1.076 256 L CA 1.608 56.202 54.840 -0.410 0.000 0.749 256 L CB -1.018 40.762 42.059 -0.465 0.000 0.893 256 L HN 0.342 nan 8.230 nan 0.000 0.432 257 T N -1.083 113.378 114.554 -0.155 0.000 2.708 257 T HA -0.156 4.198 4.350 0.007 0.000 0.266 257 T C 1.797 176.507 174.700 0.016 0.000 1.037 257 T CA 1.190 63.336 62.100 0.076 0.000 1.146 257 T CB -0.121 68.864 68.868 0.195 0.000 0.865 257 T HN 0.285 nan 8.240 nan 0.000 0.435 258 E N 1.080 121.269 120.200 -0.017 0.000 2.106 258 E HA -0.036 4.318 4.350 0.007 0.000 0.192 258 E C 2.348 178.933 176.600 -0.024 0.000 0.984 258 E CA 1.046 57.440 56.400 -0.010 0.000 0.806 258 E CB -0.117 29.572 29.700 -0.018 0.000 0.750 258 E HN 0.465 nan 8.360 nan 0.000 0.458 259 R N -0.750 119.707 120.500 -0.071 0.000 2.206 259 R HA 0.120 4.464 4.340 0.007 0.000 0.198 259 R C 1.834 178.084 176.300 -0.085 0.000 0.986 259 R CA 0.189 56.249 56.100 -0.067 0.000 1.029 259 R CB 0.280 30.529 30.300 -0.084 0.000 0.966 259 R HN 0.037 nan 8.270 nan 0.000 0.487 260 L N -1.910 119.224 121.223 -0.149 0.000 2.738 260 L HA 0.196 4.540 4.340 0.007 0.000 0.175 260 L C 1.343 178.203 176.870 -0.017 0.000 1.125 260 L CA 0.925 55.674 54.840 -0.151 0.000 0.857 260 L CB -0.452 41.415 42.059 -0.319 0.000 1.300 260 L HN -0.119 nan 8.230 nan 0.000 0.499 261 Y N 0.505 120.827 120.300 0.037 0.000 2.181 261 Y HA -0.072 4.481 4.550 0.006 0.000 0.288 261 Y C 2.587 178.502 175.900 0.026 0.000 1.146 261 Y CA 1.444 59.574 58.100 0.050 0.000 1.164 261 Y CB -0.941 37.573 38.460 0.090 0.000 0.982 261 Y HN 0.138 nan 8.280 nan 0.000 0.515 262 I N -0.992 119.675 120.570 0.162 0.000 2.361 262 I HA -0.059 4.115 4.170 0.007 0.000 0.251 262 I C 1.205 177.346 176.117 0.041 0.000 1.133 262 I CA 1.331 62.685 61.300 0.090 0.000 1.413 262 I CB -0.417 37.625 38.000 0.071 0.000 1.073 262 I HN 0.302 nan 8.210 nan 0.000 0.424 263 G N -0.948 107.858 108.800 0.011 0.000 2.320 263 G HA2 0.478 4.442 3.960 0.007 0.000 0.297 263 G HA3 0.478 4.442 3.960 0.007 0.000 0.297 263 G C -1.039 173.738 174.900 -0.205 0.000 1.344 263 G CA -0.167 44.882 45.100 -0.086 0.000 0.851 263 G HN 0.404 nan 8.290 nan 0.000 0.567 264 G N -0.885 107.531 108.800 -0.641 0.000 2.316 264 G HA2 0.710 4.674 3.960 0.007 0.000 0.296 264 G HA3 0.710 4.674 3.960 0.007 0.000 0.296 264 G C -3.488 170.740 174.900 -1.120 0.000 1.399 264 G CA -0.017 44.624 45.100 -0.766 0.000 0.833 264 G HN 0.745 nan 8.290 nan 0.000 0.565 265 P HA 0.439 nan 4.420 nan 0.000 0.275 265 P C -0.480 176.708 177.300 -0.187 0.000 1.228 265 P CA -0.164 62.772 63.100 -0.274 0.000 0.786 265 P CB 1.111 32.810 31.700 -0.002 0.000 0.927 266 L N 2.547 123.710 121.223 -0.100 0.000 2.287 266 L HA 0.442 4.786 4.340 0.007 0.000 0.287 266 L C 0.571 177.441 176.870 0.000 0.000 1.022 266 L CA -0.104 54.712 54.840 -0.040 0.000 0.814 266 L CB 1.389 43.467 42.059 0.031 0.000 1.217 266 L HN 0.281 nan 8.230 nan 0.000 0.420 267 T N 1.613 116.144 114.554 -0.037 0.000 2.841 267 T HA 0.353 4.707 4.350 0.007 0.000 0.283 267 T C -0.265 174.410 174.700 -0.042 0.000 1.000 267 T CA -0.826 61.255 62.100 -0.031 0.000 0.977 267 T CB 1.536 70.373 68.868 -0.052 0.000 0.979 267 T HN 0.640 nan 8.240 nan 0.000 0.446 268 N N 0.448 119.139 118.700 -0.015 0.000 2.413 268 N HA 0.152 4.896 4.740 0.007 0.000 0.266 268 N C 1.432 176.927 175.510 -0.024 0.000 1.238 268 N CA -0.351 52.690 53.050 -0.014 0.000 0.972 268 N CB 0.198 38.688 38.487 0.004 0.000 1.210 268 N HN 0.461 nan 8.380 nan 0.000 0.547 269 S N -0.824 114.872 115.700 -0.008 0.000 2.440 269 S HA -0.142 4.332 4.470 0.007 0.000 0.238 269 S C 0.907 175.501 174.600 -0.010 0.000 1.010 269 S CA 0.805 59.004 58.200 -0.001 0.000 0.972 269 S CB -0.472 62.741 63.200 0.023 0.000 0.774 269 S HN 0.654 nan 8.310 nan 0.000 0.501 270 K N 0.624 121.018 120.400 -0.009 0.000 2.417 270 K HA 0.309 4.633 4.320 0.007 0.000 0.196 270 K C 1.213 177.802 176.600 -0.018 0.000 1.023 270 K CA 0.326 56.606 56.287 -0.011 0.000 1.122 270 K CB -0.050 32.448 32.500 -0.004 0.000 0.850 270 K HN 0.520 nan 8.250 nan 0.000 0.521 271 G N 1.692 110.478 108.800 -0.025 0.000 2.159 271 G HA2 -0.305 3.659 3.960 0.007 0.000 0.256 271 G HA3 -0.305 3.659 3.960 0.007 0.000 0.256 271 G C -0.226 174.666 174.900 -0.013 0.000 0.977 271 G CA -0.037 45.046 45.100 -0.028 0.000 0.652 271 G HN 0.376 nan 8.290 nan 0.000 0.531 272 Q N 0.239 120.038 119.800 -0.003 0.000 2.259 272 Q HA 0.306 4.650 4.340 0.007 0.000 0.249 272 Q C 0.455 176.469 176.000 0.022 0.000 0.914 272 Q CA -0.525 55.284 55.803 0.011 0.000 0.904 272 Q CB 0.906 29.654 28.738 0.016 0.000 1.213 272 Q HN 0.406 nan 8.270 nan 0.000 0.428 273 N N 1.683 120.403 118.700 0.033 0.000 2.452 273 N HA -0.025 4.719 4.740 0.007 0.000 0.266 273 N C -0.298 175.262 175.510 0.083 0.000 1.209 273 N CA -0.298 52.783 53.050 0.052 0.000 0.929 273 N CB 0.535 39.054 38.487 0.054 0.000 1.063 273 N HN 0.618 nan 8.380 nan 0.000 0.472 274 C N 2.862 122.230 119.300 0.114 0.000 2.735 274 C HA 0.415 4.879 4.460 0.007 0.000 0.271 274 C C 1.231 176.401 174.990 0.300 0.000 1.281 274 C CA 0.438 59.579 59.018 0.206 0.000 1.719 274 C CB -0.882 27.001 27.740 0.239 0.000 2.024 274 C HN 0.964 nan 8.230 nan 0.000 0.566 275 G N -1.251 107.649 108.800 0.167 0.000 2.403 275 G HA2 0.276 4.240 3.960 0.007 0.000 0.223 275 G HA3 0.276 4.240 3.960 0.007 0.000 0.223 275 G C -2.100 172.825 174.900 0.042 0.000 1.287 275 G CA -0.376 44.772 45.100 0.079 0.000 0.982 275 G HN 0.047 nan 8.290 nan 0.000 0.471 276 Y N 0.712 120.885 120.300 -0.212 0.000 2.441 276 Y HA 0.722 5.276 4.550 0.007 0.000 0.334 276 Y C -0.074 175.691 175.900 -0.225 0.000 1.061 276 Y CA -0.798 57.202 58.100 -0.167 0.000 1.032 276 Y CB 1.918 40.295 38.460 -0.138 0.000 1.266 276 Y HN 0.703 nan 8.280 nan 0.000 0.441 277 R N 4.764 125.023 120.500 -0.401 0.000 2.407 277 R HA 0.564 4.909 4.340 0.007 0.000 0.303 277 R C -0.625 175.507 176.300 -0.279 0.000 0.981 277 R CA -0.542 55.325 56.100 -0.388 0.000 0.905 277 R CB 0.899 31.030 30.300 -0.282 0.000 1.099 277 R HN 0.917 nan 8.270 nan 0.000 0.459 278 R N 3.151 123.465 120.500 -0.310 0.000 2.668 278 R HA 0.206 4.550 4.340 0.007 0.000 0.435 278 R C -0.576 175.605 176.300 -0.198 0.000 1.059 278 R CA -0.330 55.680 56.100 -0.151 0.000 1.073 278 R CB 0.451 30.710 30.300 -0.069 0.000 1.401 278 R HN 0.780 nan 8.270 nan 0.000 0.590 279 C N -1.823 117.312 119.300 -0.275 0.000 3.301 279 C HA 0.625 5.089 4.460 0.007 0.000 0.367 279 C C -0.130 174.808 174.990 -0.088 0.000 1.980 279 C CA -1.479 57.421 59.018 -0.196 0.000 1.349 279 C CB 1.127 28.687 27.740 -0.300 0.000 2.412 279 C HN 0.320 nan 8.230 nan 0.000 0.451 280 R N 1.226 121.722 120.500 -0.006 0.000 2.522 280 R HA 0.475 4.819 4.340 0.007 0.000 0.284 280 R C 0.129 176.484 176.300 0.092 0.000 1.032 280 R CA 0.861 57.005 56.100 0.072 0.000 1.049 280 R CB -0.134 30.248 30.300 0.137 0.000 0.956 280 R HN 1.144 nan 8.270 nan 0.000 0.422 281 A N 3.682 126.569 122.820 0.111 0.000 2.454 281 A HA 0.186 4.510 4.320 0.007 0.000 0.260 281 A C 0.975 178.654 177.584 0.159 0.000 1.106 281 A CA 0.182 52.305 52.037 0.143 0.000 0.780 281 A CB 0.246 19.342 19.000 0.159 0.000 1.044 281 A HN 1.009 nan 8.150 nan 0.000 0.498 282 S N 2.085 117.892 115.700 0.179 0.000 2.489 282 S HA 0.092 4.566 4.470 0.007 0.000 0.228 282 S C 1.037 175.735 174.600 0.163 0.000 0.995 282 S CA 0.676 58.979 58.200 0.171 0.000 0.934 282 S CB 0.112 63.421 63.200 0.182 0.000 0.771 282 S HN 1.282 nan 8.310 nan 0.000 0.522 283 G N 1.793 110.710 108.800 0.196 0.000 4.757 283 G HA2 0.530 4.494 3.960 0.007 0.000 0.303 283 G HA3 0.530 4.494 3.960 0.007 0.000 0.303 283 G C -0.280 174.748 174.900 0.213 0.000 1.318 283 G CA -0.173 45.053 45.100 0.211 0.000 1.020 283 G HN 0.561 nan 8.290 nan 0.000 0.589 284 V N -2.225 117.794 119.914 0.175 0.000 3.074 284 V HA 0.599 4.723 4.120 0.007 0.000 0.314 284 V C 1.327 177.496 176.094 0.125 0.000 1.117 284 V CA -0.960 61.458 62.300 0.197 0.000 1.014 284 V CB 1.723 33.718 31.823 0.286 0.000 1.057 284 V HN 0.099 nan 8.190 nan 0.000 0.438 285 L N 2.481 123.790 121.223 0.143 0.000 2.042 285 L HA -0.065 4.279 4.340 0.007 0.000 0.210 285 L C 2.346 179.232 176.870 0.026 0.000 1.076 285 L CA 3.188 58.094 54.840 0.110 0.000 0.749 285 L CB -0.777 41.371 42.059 0.147 0.000 0.893 285 L HN 1.096 nan 8.230 nan 0.000 0.432 286 T N -5.500 108.988 114.554 -0.110 0.000 3.148 286 T HA -0.021 4.333 4.350 0.007 0.000 0.253 286 T C 1.566 176.209 174.700 -0.096 0.000 1.134 286 T CA 0.794 62.781 62.100 -0.188 0.000 1.051 286 T CB -0.847 67.739 68.868 -0.470 0.000 0.959 286 T HN 0.325 nan 8.240 nan 0.000 0.525 287 T N 1.969 116.501 114.554 -0.037 0.000 2.684 287 T HA -0.161 4.193 4.350 0.007 0.000 0.267 287 T C 2.213 176.933 174.700 0.032 0.000 1.036 287 T CA 1.769 63.882 62.100 0.021 0.000 1.148 287 T CB -0.613 68.291 68.868 0.060 0.000 0.863 287 T HN 0.559 nan 8.240 nan 0.000 0.436 288 S N -0.355 115.346 115.700 0.001 0.000 2.357 288 S HA -0.125 4.349 4.470 0.007 0.000 0.221 288 S C 2.421 177.046 174.600 0.042 0.000 1.031 288 S CA 1.272 59.470 58.200 -0.004 0.000 0.982 288 S CB -0.877 62.229 63.200 -0.158 0.000 0.853 288 S HN 0.667 nan 8.310 nan 0.000 0.458 289 C N 1.186 120.485 119.300 -0.001 0.000 2.446 289 C HA 0.189 4.653 4.460 0.007 0.000 0.277 289 C C 2.833 177.866 174.990 0.071 0.000 1.275 289 C CA 0.952 59.978 59.018 0.014 0.000 1.727 289 C CB -1.732 25.986 27.740 -0.035 0.000 2.010 289 C HN 0.705 nan 8.230 nan 0.000 0.486 290 G N 0.568 109.422 108.800 0.090 0.000 2.421 290 G HA2 -0.214 3.750 3.960 0.007 0.000 0.216 290 G HA3 -0.214 3.750 3.960 0.007 0.000 0.216 290 G C 1.505 176.484 174.900 0.132 0.000 1.171 290 G CA 1.066 46.230 45.100 0.107 0.000 0.775 290 G HN 0.574 nan 8.290 nan 0.000 0.543 291 N N 0.334 119.111 118.700 0.128 0.000 2.166 291 N HA -0.066 4.678 4.740 0.007 0.000 0.186 291 N C 2.389 177.926 175.510 0.045 0.000 1.019 291 N CA 1.532 54.656 53.050 0.123 0.000 0.856 291 N CB -0.650 37.821 38.487 -0.027 0.000 0.993 291 N HN 0.240 nan 8.380 nan 0.000 0.426 292 T N 1.597 116.194 114.554 0.071 0.000 2.701 292 T HA 0.008 4.362 4.350 0.007 0.000 0.263 292 T C 2.108 176.873 174.700 0.109 0.000 1.040 292 T CA 0.660 62.817 62.100 0.095 0.000 1.147 292 T CB -0.323 68.660 68.868 0.192 0.000 0.865 292 T HN 0.119 nan 8.240 nan 0.000 0.426 293 L N 0.645 121.912 121.223 0.074 0.000 2.012 293 L HA -0.151 4.193 4.340 0.007 0.000 0.210 293 L C 2.898 179.854 176.870 0.143 0.000 1.073 293 L CA 1.344 56.222 54.840 0.064 0.000 0.748 293 L CB -0.997 41.065 42.059 0.005 0.000 0.891 293 L HN 0.296 nan 8.230 nan 0.000 0.431 294 T N -1.612 113.047 114.554 0.175 0.000 2.857 294 T HA -0.183 4.171 4.350 0.007 0.000 0.266 294 T C 2.000 176.892 174.700 0.321 0.000 1.048 294 T CA 1.179 63.415 62.100 0.227 0.000 1.139 294 T CB -0.336 68.694 68.868 0.270 0.000 0.874 294 T HN 0.444 nan 8.240 nan 0.000 0.455 295 C N 0.698 120.233 119.300 0.392 0.000 2.436 295 C HA -0.099 4.365 4.460 0.007 0.000 0.277 295 C C 2.366 177.505 174.990 0.248 0.000 1.241 295 C CA 0.595 59.833 59.018 0.365 0.000 1.721 295 C CB -1.337 26.492 27.740 0.147 0.000 2.043 295 C HN 0.663 nan 8.230 nan 0.000 0.472 296 Y N 0.980 121.333 120.300 0.087 0.000 2.128 296 Y HA -0.148 4.406 4.550 0.007 0.000 0.284 296 Y C 2.188 178.098 175.900 0.016 0.000 1.154 296 Y CA 2.118 60.246 58.100 0.048 0.000 1.149 296 Y CB -0.612 37.861 38.460 0.022 0.000 0.976 296 Y HN 0.344 nan 8.280 nan 0.000 0.505 297 L N 1.077 122.362 121.223 0.103 0.000 1.989 297 L HA -0.230 4.114 4.340 0.007 0.000 0.211 297 L C 2.132 178.905 176.870 -0.160 0.000 1.071 297 L CA 2.071 56.855 54.840 -0.093 0.000 0.749 297 L CB -0.888 41.091 42.059 -0.133 0.000 0.890 297 L HN 0.175 nan 8.230 nan 0.000 0.431 298 K N -0.718 119.652 120.400 -0.049 0.000 2.025 298 K HA -0.043 4.281 4.320 0.007 0.000 0.207 298 K C 2.077 178.666 176.600 -0.019 0.000 1.049 298 K CA 1.274 57.530 56.287 -0.053 0.000 0.933 298 K CB -0.388 32.170 32.500 0.097 0.000 0.714 298 K HN 0.484 nan 8.250 nan 0.000 0.438 299 A N 1.079 123.894 122.820 -0.009 0.000 1.898 299 A HA -0.132 4.192 4.320 0.007 0.000 0.216 299 A C 2.241 179.837 177.584 0.020 0.000 1.181 299 A CA 1.703 53.753 52.037 0.021 0.000 0.620 299 A CB -0.550 18.542 19.000 0.153 0.000 0.819 299 A HN 0.153 nan 8.150 nan 0.000 0.442 300 S N -0.025 115.578 115.700 -0.162 0.000 2.353 300 S HA -0.127 4.347 4.470 0.007 0.000 0.222 300 S C 2.344 176.879 174.600 -0.108 0.000 1.035 300 S CA 1.420 59.486 58.200 -0.223 0.000 1.025 300 S CB -0.556 62.358 63.200 -0.478 0.000 0.902 300 S HN 0.816 nan 8.310 nan 0.000 0.440 301 A N 1.456 124.223 122.820 -0.089 0.000 1.908 301 A HA 0.051 4.375 4.320 0.007 0.000 0.218 301 A C 2.344 179.976 177.584 0.080 0.000 1.181 301 A CA 1.813 53.858 52.037 0.015 0.000 0.627 301 A CB -1.081 17.939 19.000 0.033 0.000 0.818 301 A HN 0.537 nan 8.150 nan 0.000 0.445 302 A N -1.164 121.714 122.820 0.096 0.000 1.972 302 A HA -0.159 4.165 4.320 0.007 0.000 0.219 302 A C 2.261 179.898 177.584 0.088 0.000 1.169 302 A CA 1.655 53.653 52.037 -0.065 0.000 0.635 302 A CB -1.185 17.440 19.000 -0.625 0.000 0.810 302 A HN 0.606 nan 8.150 nan 0.000 0.446 303 C N -0.937 118.487 119.300 0.206 0.000 2.440 303 C HA -0.044 4.420 4.460 0.007 0.000 0.278 303 C C 2.873 177.882 174.990 0.033 0.000 1.295 303 C CA 0.973 60.127 59.018 0.226 0.000 1.738 303 C CB -1.232 26.594 27.740 0.144 0.000 1.987 303 C HN 0.616 nan 8.230 nan 0.000 0.492 304 R N 1.314 121.742 120.500 -0.120 0.000 2.066 304 R HA -0.049 4.295 4.340 0.007 0.000 0.232 304 R C 2.447 178.520 176.300 -0.378 0.000 1.131 304 R CA 1.516 57.414 56.100 -0.336 0.000 0.955 304 R CB -0.603 29.305 30.300 -0.654 0.000 0.851 304 R HN 0.502 nan 8.270 nan 0.000 0.432 305 A N 1.570 124.214 122.820 -0.293 0.000 1.908 305 A HA -0.132 4.192 4.320 0.007 0.000 0.218 305 A C 2.298 179.893 177.584 0.017 0.000 1.181 305 A CA 1.842 53.866 52.037 -0.021 0.000 0.627 305 A CB -0.556 18.480 19.000 0.061 0.000 0.818 305 A HN 0.408 nan 8.150 nan 0.000 0.445 306 A N -1.475 121.369 122.820 0.040 0.000 2.208 306 A HA 0.219 4.543 4.320 0.007 0.000 0.209 306 A C 1.046 178.657 177.584 0.046 0.000 1.161 306 A CA 0.839 52.922 52.037 0.075 0.000 0.782 306 A CB -0.406 18.703 19.000 0.182 0.000 0.816 306 A HN 0.499 nan 8.150 nan 0.000 0.477 307 K N -1.104 119.307 120.400 0.019 0.000 3.148 307 K HA -0.167 4.157 4.320 0.007 0.000 0.267 307 K C -1.051 175.559 176.600 0.017 0.000 0.996 307 K CA 0.115 56.408 56.287 0.010 0.000 0.737 307 K CB -1.673 30.837 32.500 0.016 0.000 1.308 307 K HN 0.319 nan 8.250 nan 0.000 0.470 308 L N 1.607 122.848 121.223 0.029 0.000 2.453 308 L HA -0.001 4.344 4.340 0.007 0.000 0.272 308 L C 1.005 177.879 176.870 0.006 0.000 1.182 308 L CA 0.929 55.783 54.840 0.024 0.000 0.858 308 L CB 0.503 42.588 42.059 0.044 0.000 1.120 308 L HN 0.110 nan 8.230 nan 0.000 0.474 309 Q N 2.575 122.373 119.800 -0.003 0.000 2.243 309 Q HA 0.110 4.454 4.340 0.007 0.000 0.252 309 Q C 0.068 176.053 176.000 -0.025 0.000 0.909 309 Q CA -0.369 55.426 55.803 -0.014 0.000 0.922 309 Q CB 0.887 29.614 28.738 -0.017 0.000 1.215 309 Q HN 0.510 nan 8.270 nan 0.000 0.427 310 D N 0.815 121.200 120.400 -0.025 0.000 2.686 310 D HA -0.183 4.461 4.640 0.007 0.000 0.235 310 D C -0.900 175.377 176.300 -0.040 0.000 1.160 310 D CA 0.237 54.217 54.000 -0.034 0.000 0.645 310 D CB -0.795 39.976 40.800 -0.049 0.000 1.039 310 D HN 0.539 nan 8.370 nan 0.000 0.423 311 C N 0.500 119.784 119.300 -0.027 0.000 2.634 311 C HA 0.283 4.747 4.460 0.007 0.000 0.418 311 C C 0.962 175.940 174.990 -0.021 0.000 1.373 311 C CA 0.212 59.212 59.018 -0.031 0.000 1.756 311 C CB 0.059 27.788 27.740 -0.019 0.000 2.589 311 C HN 0.365 nan 8.230 nan 0.000 0.602 312 T N 6.392 120.926 114.554 -0.032 0.000 2.809 312 T HA 0.449 4.803 4.350 0.007 0.000 0.284 312 T C -0.341 174.372 174.700 0.022 0.000 0.992 312 T CA -0.223 61.886 62.100 0.015 0.000 0.957 312 T CB 1.031 69.887 68.868 -0.021 0.000 0.942 312 T HN 0.556 nan 8.240 nan 0.000 0.439 313 M N 3.121 122.772 119.600 0.084 0.000 2.423 313 M HA 0.602 5.086 4.480 0.007 0.000 0.335 313 M C -1.125 175.276 176.300 0.168 0.000 1.177 313 M CA -0.993 54.352 55.300 0.075 0.000 1.038 313 M CB 1.657 34.295 32.600 0.063 0.000 1.641 313 M HN 0.356 nan 8.290 nan 0.000 0.455 314 L N 3.823 125.109 121.223 0.105 0.000 2.372 314 L HA 0.632 4.976 4.340 0.007 0.000 0.274 314 L C -1.535 175.324 176.870 -0.019 0.000 0.988 314 L CA -0.459 54.426 54.840 0.074 0.000 0.833 314 L CB 1.635 43.772 42.059 0.129 0.000 1.236 314 L HN 0.446 nan 8.230 nan 0.000 0.410 315 V N 4.348 124.230 119.914 -0.053 0.000 2.409 315 V HA 0.551 4.675 4.120 0.007 0.000 0.291 315 V C -0.619 175.282 176.094 -0.322 0.000 1.020 315 V CA -0.599 61.651 62.300 -0.085 0.000 0.848 315 V CB 1.710 33.585 31.823 0.086 0.000 0.990 315 V HN 0.780 nan 8.190 nan 0.000 0.430 316 N N 3.949 122.393 118.700 -0.425 0.000 2.682 316 N HA 0.600 5.344 4.740 0.007 0.000 0.252 316 N C 0.684 176.014 175.510 -0.301 0.000 1.081 316 N CA 0.532 53.071 53.050 -0.852 0.000 0.844 316 N CB 1.646 39.514 38.487 -1.031 0.000 1.167 316 N HN 1.020 nan 8.380 nan 0.000 0.523 317 G N 2.501 111.304 108.800 0.005 0.000 2.629 317 G HA2 -0.431 3.533 3.960 0.007 0.000 0.313 317 G HA3 -0.431 3.533 3.960 0.007 0.000 0.313 317 G C 0.656 175.412 174.900 -0.240 0.000 1.217 317 G CA 0.907 46.014 45.100 0.013 0.000 0.994 317 G HN 0.619 nan 8.290 nan 0.000 0.549 318 D N 1.232 121.398 120.400 -0.389 0.000 2.363 318 D HA 0.085 4.730 4.640 0.007 0.000 0.226 318 D C 0.591 176.774 176.300 -0.195 0.000 1.020 318 D CA 0.975 54.601 54.000 -0.624 0.000 0.892 318 D CB -0.168 40.215 40.800 -0.694 0.000 0.900 318 D HN 0.433 nan 8.370 nan 0.000 0.531 319 D N 0.530 120.859 120.400 -0.118 0.000 2.295 319 D HA 0.253 4.897 4.640 0.007 0.000 0.248 319 D C -1.002 175.270 176.300 -0.045 0.000 1.154 319 D CA -0.535 53.434 54.000 -0.052 0.000 0.857 319 D CB 0.891 41.650 40.800 -0.069 0.000 1.117 319 D HN 0.038 nan 8.370 nan 0.000 0.468 320 L N 5.139 126.382 121.223 0.033 0.000 2.381 320 L HA 0.414 4.758 4.340 0.007 0.000 0.274 320 L C -1.383 175.484 176.870 -0.006 0.000 0.988 320 L CA -0.649 54.217 54.840 0.043 0.000 0.824 320 L CB 1.838 43.993 42.059 0.159 0.000 1.263 320 L HN 0.126 nan 8.230 nan 0.000 0.410 321 V N 3.977 123.844 119.914 -0.078 0.000 2.680 321 V HA 0.786 4.910 4.120 0.007 0.000 0.309 321 V C -0.515 175.409 176.094 -0.283 0.000 1.052 321 V CA -0.855 61.340 62.300 -0.175 0.000 0.908 321 V CB 1.709 33.468 31.823 -0.107 0.000 1.001 321 V HN 0.494 nan 8.190 nan 0.000 0.431 322 V N 4.563 124.125 119.914 -0.587 0.000 2.656 322 V HA 0.586 4.710 4.120 0.007 0.000 0.307 322 V C -0.451 175.406 176.094 -0.395 0.000 1.051 322 V CA -0.408 61.544 62.300 -0.581 0.000 0.893 322 V CB 1.960 33.201 31.823 -0.969 0.000 0.999 322 V HN 0.764 nan 8.190 nan 0.000 0.426 323 I N 4.458 124.919 120.570 -0.182 0.000 2.465 323 I HA 0.749 4.923 4.170 0.007 0.000 0.291 323 I C -0.182 175.876 176.117 -0.098 0.000 1.014 323 I CA -0.380 60.870 61.300 -0.082 0.000 1.093 323 I CB 1.805 39.798 38.000 -0.013 0.000 1.267 323 I HN 0.908 nan 8.210 nan 0.000 0.431 324 C N 2.348 121.590 119.300 -0.097 0.000 3.336 324 C HA 0.540 5.004 4.460 0.007 0.000 0.339 324 C C -0.692 174.228 174.990 -0.118 0.000 1.468 324 C CA -0.924 58.043 59.018 -0.085 0.000 1.287 324 C CB 1.881 29.605 27.740 -0.028 0.000 1.682 324 C HN 0.647 nan 8.230 nan 0.000 0.451 325 E N 1.807 121.954 120.200 -0.089 0.000 2.290 325 E HA 0.282 4.636 4.350 0.007 0.000 0.277 325 E C 0.210 176.784 176.600 -0.044 0.000 1.035 325 E CA 0.500 56.847 56.400 -0.088 0.000 0.873 325 E CB 1.647 31.307 29.700 -0.068 0.000 1.029 325 E HN 0.719 nan 8.360 nan 0.000 0.419 326 S N 1.746 117.430 115.700 -0.027 0.000 2.572 326 S HA 0.251 4.725 4.470 0.007 0.000 0.279 326 S C 0.495 175.107 174.600 0.021 0.000 1.341 326 S CA 0.126 58.353 58.200 0.047 0.000 1.043 326 S CB 0.585 63.863 63.200 0.131 0.000 0.887 326 S HN 0.524 nan 8.310 nan 0.000 0.516 327 A N 3.269 126.108 122.820 0.032 0.000 2.535 327 A HA 0.651 4.975 4.320 0.007 0.000 0.273 327 A C 0.893 178.482 177.584 0.008 0.000 1.267 327 A CA 0.259 52.302 52.037 0.011 0.000 0.940 327 A CB -0.923 18.082 19.000 0.008 0.000 1.101 327 A HN 1.881 nan 8.150 nan 0.000 0.521 328 G N -1.179 107.630 108.800 0.014 0.000 2.663 328 G HA2 0.015 3.979 3.960 0.007 0.000 0.686 328 G HA3 0.015 3.979 3.960 0.007 0.000 0.686 328 G C 0.627 175.536 174.900 0.014 0.000 1.288 328 G CA 0.231 45.318 45.100 -0.022 0.000 0.836 328 G HN 1.134 nan 8.290 nan 0.000 0.584 329 T N -2.199 112.334 114.554 -0.036 0.000 2.821 329 T HA -0.117 4.237 4.350 0.007 0.000 0.267 329 T C 2.144 176.871 174.700 0.045 0.000 1.046 329 T CA 2.144 64.261 62.100 0.028 0.000 1.139 329 T CB -0.198 68.643 68.868 -0.044 0.000 0.871 329 T HN 0.879 nan 8.240 nan 0.000 0.454 330 Q N 0.724 120.531 119.800 0.012 0.000 2.046 330 Q HA -0.158 4.186 4.340 0.007 0.000 0.200 330 Q C 2.393 178.401 176.000 0.012 0.000 0.975 330 Q CA 1.740 57.549 55.803 0.010 0.000 0.836 330 Q CB -0.155 28.583 28.738 -0.001 0.000 0.896 330 Q HN 0.548 nan 8.270 nan 0.000 0.428 331 E N 0.469 120.677 120.200 0.013 0.000 2.107 331 E HA -0.138 4.217 4.350 0.007 0.000 0.191 331 E C 1.385 177.993 176.600 0.012 0.000 0.982 331 E CA 1.438 57.844 56.400 0.010 0.000 0.809 331 E CB -0.015 29.689 29.700 0.008 0.000 0.756 331 E HN 0.415 nan 8.360 nan 0.000 0.459 332 D N -0.122 120.299 120.400 0.034 0.000 2.144 332 D HA -0.127 4.517 4.640 0.007 0.000 0.199 332 D C 1.705 177.991 176.300 -0.025 0.000 0.984 332 D CA 1.413 55.427 54.000 0.023 0.000 0.834 332 D CB -0.368 40.497 40.800 0.109 0.000 0.955 332 D HN 0.283 nan 8.370 nan 0.000 0.465 333 A N 1.017 123.838 122.820 0.002 0.000 1.902 333 A HA -0.029 4.295 4.320 0.007 0.000 0.217 333 A C 2.314 179.880 177.584 -0.029 0.000 1.181 333 A CA 2.101 54.126 52.037 -0.021 0.000 0.623 333 A CB -0.673 18.331 19.000 0.006 0.000 0.818 333 A HN 0.231 nan 8.150 nan 0.000 0.443 334 A N -0.424 122.387 122.820 -0.014 0.000 1.877 334 A HA -0.091 4.233 4.320 0.007 0.000 0.216 334 A C 2.464 180.040 177.584 -0.013 0.000 1.186 334 A CA 2.152 54.182 52.037 -0.010 0.000 0.620 334 A CB -0.972 18.026 19.000 -0.003 0.000 0.822 334 A HN 0.457 nan 8.150 nan 0.000 0.443 335 S N 0.094 115.782 115.700 -0.020 0.000 2.356 335 S HA -0.102 4.372 4.470 0.007 0.000 0.223 335 S C 1.812 176.395 174.600 -0.029 0.000 1.032 335 S CA 1.476 59.667 58.200 -0.015 0.000 1.005 335 S CB -0.489 62.699 63.200 -0.021 0.000 0.867 335 S HN 0.496 nan 8.310 nan 0.000 0.449 336 L N 0.862 122.007 121.223 -0.130 0.000 2.131 336 L HA -0.100 4.244 4.340 0.007 0.000 0.210 336 L C 2.650 179.509 176.870 -0.019 0.000 1.092 336 L CA 1.257 55.965 54.840 -0.219 0.000 0.759 336 L CB -0.586 41.224 42.059 -0.415 0.000 0.903 336 L HN 0.284 nan 8.230 nan 0.000 0.435 337 R N -0.473 120.021 120.500 -0.010 0.000 2.075 337 R HA -0.090 4.254 4.340 0.007 0.000 0.232 337 R C 2.295 178.613 176.300 0.030 0.000 1.126 337 R CA 0.966 57.078 56.100 0.019 0.000 0.963 337 R CB -0.304 29.997 30.300 0.002 0.000 0.858 337 R HN 0.171 nan 8.270 nan 0.000 0.435 338 V N 0.767 120.699 119.914 0.029 0.000 2.343 338 V HA -0.253 3.871 4.120 0.007 0.000 0.247 338 V C 1.929 178.040 176.094 0.028 0.000 1.051 338 V CA 1.720 64.032 62.300 0.020 0.000 1.036 338 V CB -0.586 31.252 31.823 0.024 0.000 0.654 338 V HN 0.212 nan 8.190 nan 0.000 0.451 339 F N 1.589 121.497 119.950 -0.070 0.000 2.091 339 F HA -0.260 4.271 4.527 0.006 0.000 0.299 339 F C 2.458 178.203 175.800 -0.092 0.000 1.103 339 F CA 2.451 60.405 58.000 -0.075 0.000 1.228 339 F CB -0.551 38.403 39.000 -0.076 0.000 0.984 339 F HN 0.126 nan 8.300 nan 0.000 0.477 340 T N -0.200 114.422 114.554 0.114 0.000 2.777 340 T HA -0.186 4.168 4.350 0.007 0.000 0.266 340 T C 1.711 176.398 174.700 -0.021 0.000 1.040 340 T CA 1.681 63.849 62.100 0.113 0.000 1.141 340 T CB -0.354 68.661 68.868 0.246 0.000 0.868 340 T HN 0.367 nan 8.240 nan 0.000 0.444 341 E N 1.020 121.191 120.200 -0.048 0.000 2.085 341 E HA -0.086 4.268 4.350 0.007 0.000 0.194 341 E C 2.533 179.010 176.600 -0.205 0.000 0.994 341 E CA 1.041 57.384 56.400 -0.095 0.000 0.801 341 E CB -0.230 29.427 29.700 -0.072 0.000 0.743 341 E HN 0.483 nan 8.360 nan 0.000 0.453 342 A N 1.061 123.713 122.820 -0.279 0.000 1.877 342 A HA -0.196 4.128 4.320 0.007 0.000 0.216 342 A C 2.155 179.333 177.584 -0.677 0.000 1.186 342 A CA 1.340 53.083 52.037 -0.490 0.000 0.620 342 A CB -0.331 18.435 19.000 -0.391 0.000 0.822 342 A HN 0.127 nan 8.150 nan 0.000 0.443 343 M N -0.360 118.956 119.600 -0.474 0.000 2.159 343 M HA -0.109 4.375 4.480 0.007 0.000 0.263 343 M C 2.200 178.421 176.300 -0.131 0.000 1.063 343 M CA 1.979 57.110 55.300 -0.281 0.000 1.110 343 M CB -1.881 30.472 32.600 -0.411 0.000 1.374 343 M HN 0.453 nan 8.290 nan 0.000 0.411 344 T N 0.275 114.756 114.554 -0.122 0.000 2.746 344 T HA -0.127 4.227 4.350 0.007 0.000 0.267 344 T C 1.923 176.551 174.700 -0.120 0.000 1.039 344 T CA 1.184 63.243 62.100 -0.069 0.000 1.142 344 T CB -0.232 68.606 68.868 -0.050 0.000 0.866 344 T HN 0.387 nan 8.240 nan 0.000 0.444 345 R N -0.006 120.353 120.500 -0.236 0.000 2.152 345 R HA -0.069 4.275 4.340 0.007 0.000 0.232 345 R C 1.439 177.637 176.300 -0.170 0.000 1.117 345 R CA 1.080 57.031 56.100 -0.249 0.000 0.981 345 R CB -0.245 29.839 30.300 -0.359 0.000 0.870 345 R HN 0.458 nan 8.270 nan 0.000 0.451 346 Y N -0.242 119.990 120.300 -0.113 0.000 2.461 346 Y HA 0.176 4.729 4.550 0.006 0.000 0.277 346 Y C 0.676 176.510 175.900 -0.110 0.000 1.182 346 Y CA -0.716 57.302 58.100 -0.137 0.000 1.276 346 Y CB 0.082 38.483 38.460 -0.099 0.000 1.087 346 Y HN -0.112 nan 8.280 nan 0.000 0.519 347 S N 0.443 116.162 115.700 0.033 0.000 3.866 347 S HA -0.056 4.418 4.470 0.007 0.000 0.427 347 S C -0.028 174.573 174.600 0.001 0.000 0.891 347 S CA 0.490 58.698 58.200 0.013 0.000 1.275 347 S CB -1.344 61.854 63.200 -0.005 0.000 0.872 347 S HN 0.724 nan 8.310 nan 0.000 0.562 348 A N 2.358 125.201 122.820 0.038 0.000 3.455 348 A HA 0.534 4.858 4.320 0.007 0.000 0.225 348 A C -2.449 175.257 177.584 0.204 0.000 1.052 348 A CA -0.581 51.508 52.037 0.087 0.000 1.005 348 A CB 0.836 19.913 19.000 0.127 0.000 1.318 348 A HN 0.432 nan 8.150 nan 0.000 0.639 349 P HA 0.331 nan 4.420 nan 0.000 0.272 349 P C -2.906 174.429 177.300 0.058 0.000 1.230 349 P CA -1.027 62.128 63.100 0.091 0.000 0.788 349 P CB 0.607 32.293 31.700 -0.024 0.000 0.949 350 P HA 0.123 nan 4.420 nan 0.000 0.281 350 P C 0.680 177.903 177.300 -0.129 0.000 1.249 350 P CA -0.015 62.956 63.100 -0.215 0.000 0.810 350 P CB 0.948 32.509 31.700 -0.232 0.000 1.008 351 G N 1.736 110.457 108.800 -0.130 0.000 2.654 351 G HA2 -0.013 3.951 3.960 0.007 0.000 0.215 351 G HA3 -0.013 3.951 3.960 0.007 0.000 0.215 351 G C -0.065 174.792 174.900 -0.071 0.000 1.310 351 G CA 0.169 45.223 45.100 -0.076 0.000 0.866 351 G HN 0.476 nan 8.290 nan 0.000 0.558 352 D N 2.144 122.503 120.400 -0.069 0.000 2.351 352 D HA 0.332 4.976 4.640 0.007 0.000 0.251 352 D C -2.264 173.995 176.300 -0.068 0.000 1.137 352 D CA -0.857 53.112 54.000 -0.051 0.000 0.879 352 D CB 1.436 42.219 40.800 -0.030 0.000 1.181 352 D HN 0.017 nan 8.370 nan 0.000 0.448 353 P HA 0.178 nan 4.420 nan 0.000 0.275 353 P C -2.338 174.970 177.300 0.013 0.000 1.228 353 P CA -1.108 61.985 63.100 -0.011 0.000 0.786 353 P CB -0.189 31.515 31.700 0.007 0.000 0.927 354 P HA 0.106 nan 4.420 nan 0.000 0.269 354 P C -0.731 176.573 177.300 0.006 0.000 1.215 354 P CA 0.138 63.293 63.100 0.090 0.000 0.780 354 P CB 0.800 32.606 31.700 0.177 0.000 0.898 355 Q N 1.718 121.533 119.800 0.024 0.000 2.353 355 Q HA 0.412 4.756 4.340 0.007 0.000 0.268 355 Q C -2.409 173.584 176.000 -0.012 0.000 1.045 355 Q CA -2.073 53.728 55.803 -0.004 0.000 0.811 355 Q CB 2.154 30.906 28.738 0.024 0.000 1.305 355 Q HN 0.345 nan 8.270 nan 0.000 0.447 356 P HA 0.096 nan 4.420 nan 0.000 0.276 356 P C -0.953 176.217 177.300 -0.217 0.000 1.230 356 P CA -0.070 62.938 63.100 -0.154 0.000 0.776 356 P CB 0.844 32.431 31.700 -0.190 0.000 0.888 357 E N 1.975 122.012 120.200 -0.271 0.000 2.222 357 E HA 0.220 4.574 4.350 0.007 0.000 0.267 357 E C -0.483 175.940 176.600 -0.294 0.000 0.884 357 E CA -0.433 55.849 56.400 -0.197 0.000 0.764 357 E CB 1.397 31.078 29.700 -0.031 0.000 1.169 357 E HN 0.433 nan 8.360 nan 0.000 0.413 358 Y N -0.212 120.231 120.300 0.239 0.000 2.531 358 Y HA 0.170 4.725 4.550 0.007 0.000 0.249 358 Y C 0.330 176.464 175.900 0.390 0.000 1.168 358 Y CA -0.393 57.899 58.100 0.320 0.000 1.226 358 Y CB 0.923 39.479 38.460 0.160 0.000 1.177 358 Y HN 0.251 nan 8.280 nan 0.000 0.527 359 D N 0.263 120.821 120.400 0.262 0.000 2.505 359 D HA 0.125 4.769 4.640 0.007 0.000 0.250 359 D C 0.639 176.748 176.300 -0.317 0.000 1.164 359 D CA -0.371 53.655 54.000 0.042 0.000 0.870 359 D CB 1.615 42.444 40.800 0.048 0.000 1.160 359 D HN 0.072 nan 8.370 nan 0.000 0.549 360 L N 4.081 124.781 121.223 -0.872 0.000 2.129 360 L HA -0.093 4.251 4.340 0.007 0.000 0.212 360 L C 1.637 178.204 176.870 -0.506 0.000 1.087 360 L CA 1.914 56.093 54.840 -1.101 0.000 0.757 360 L CB -0.227 40.910 42.059 -1.537 0.000 0.896 360 L HN 0.538 nan 8.230 nan 0.000 0.434 361 E N -0.873 119.132 120.200 -0.326 0.000 2.268 361 E HA -0.152 4.202 4.350 0.007 0.000 0.195 361 E C 1.985 178.506 176.600 -0.131 0.000 0.995 361 E CA 0.878 57.166 56.400 -0.186 0.000 0.836 361 E CB -0.132 29.501 29.700 -0.110 0.000 0.763 361 E HN 0.538 nan 8.360 nan 0.000 0.491 362 L N 0.845 121.995 121.223 -0.122 0.000 2.591 362 L HA 0.140 4.484 4.340 0.007 0.000 0.228 362 L C 0.753 177.582 176.870 -0.068 0.000 1.133 362 L CA -0.059 54.741 54.840 -0.067 0.000 0.880 362 L CB 0.134 42.176 42.059 -0.029 0.000 1.033 362 L HN 0.018 nan 8.230 nan 0.000 0.450 363 I N 0.149 120.651 120.570 -0.113 0.000 2.352 363 I HA 0.083 4.257 4.170 0.007 0.000 0.290 363 I C 0.073 176.152 176.117 -0.063 0.000 1.036 363 I CA 0.126 61.376 61.300 -0.084 0.000 1.336 363 I CB 1.208 39.135 38.000 -0.121 0.000 1.407 363 I HN -0.082 nan 8.210 nan 0.000 0.497 364 T N 5.216 119.756 114.554 -0.024 0.000 2.749 364 T HA 0.430 4.784 4.350 0.007 0.000 0.287 364 T C -0.137 174.565 174.700 0.003 0.000 0.970 364 T CA -0.586 61.512 62.100 -0.004 0.000 0.980 364 T CB 0.893 69.768 68.868 0.012 0.000 0.924 364 T HN 0.736 nan 8.240 nan 0.000 0.456 365 S N 0.927 116.629 115.700 0.005 0.000 2.540 365 S HA 0.416 4.890 4.470 0.007 0.000 0.275 365 S C 0.128 174.742 174.600 0.023 0.000 1.123 365 S CA -0.804 57.398 58.200 0.003 0.000 0.907 365 S CB 0.747 63.931 63.200 -0.026 0.000 1.081 365 S HN 0.875 nan 8.310 nan 0.000 0.476 366 C N 2.238 121.550 119.300 0.020 0.000 4.114 366 C HA -0.164 4.300 4.460 0.007 0.000 0.300 366 C C 1.354 176.416 174.990 0.120 0.000 1.423 366 C CA 0.858 59.907 59.018 0.052 0.000 2.034 366 C CB -3.233 24.522 27.740 0.025 0.000 1.299 366 C HN 1.666 nan 8.230 nan 0.000 0.727 367 S N -1.585 114.180 115.700 0.107 0.000 3.380 367 S HA -0.195 4.279 4.470 0.007 0.000 0.300 367 S C 0.181 174.873 174.600 0.154 0.000 1.255 367 S CA 1.272 59.548 58.200 0.128 0.000 0.963 367 S CB -0.816 62.482 63.200 0.163 0.000 1.106 367 S HN 1.035 nan 8.310 nan 0.000 0.629 368 S N 1.888 117.672 115.700 0.140 0.000 2.541 368 S HA 0.643 5.117 4.470 0.007 0.000 0.280 368 S C -0.437 174.204 174.600 0.069 0.000 1.112 368 S CA -1.019 57.284 58.200 0.172 0.000 0.925 368 S CB 1.657 65.017 63.200 0.266 0.000 1.067 368 S HN 0.553 nan 8.310 nan 0.000 0.479 369 N N 0.324 119.046 118.700 0.038 0.000 2.292 369 N HA 0.497 5.241 4.740 0.007 0.000 0.303 369 N C -0.962 174.492 175.510 -0.092 0.000 1.140 369 N CA -0.593 52.433 53.050 -0.040 0.000 0.788 369 N CB 1.183 39.640 38.487 -0.051 0.000 1.361 369 N HN 0.301 nan 8.380 nan 0.000 0.489 370 V N 0.695 120.522 119.914 -0.146 0.000 2.715 370 V HA 0.258 4.382 4.120 0.007 0.000 0.299 370 V C 0.629 176.589 176.094 -0.223 0.000 1.054 370 V CA 0.136 62.322 62.300 -0.190 0.000 1.077 370 V CB 0.862 32.567 31.823 -0.195 0.000 0.972 370 V HN 0.861 nan 8.190 nan 0.000 0.484 371 S N 2.390 117.868 115.700 -0.370 0.000 2.685 371 S HA 0.754 5.228 4.470 0.007 0.000 0.282 371 S C -1.296 173.177 174.600 -0.211 0.000 1.159 371 S CA -0.455 57.560 58.200 -0.309 0.000 0.833 371 S CB 2.059 65.053 63.200 -0.344 0.000 1.151 371 S HN 0.659 nan 8.310 nan 0.000 0.485 372 V N 1.346 121.238 119.914 -0.036 0.000 2.604 372 V HA 0.971 5.095 4.120 0.007 0.000 0.305 372 V C -0.224 175.843 176.094 -0.044 0.000 1.043 372 V CA 0.235 62.463 62.300 -0.121 0.000 0.888 372 V CB 1.036 32.682 31.823 -0.296 0.000 0.995 372 V HN 1.217 nan 8.190 nan 0.000 0.429 373 A N 5.145 127.802 122.820 -0.272 0.000 2.525 373 A HA 0.877 5.202 4.320 0.007 0.000 0.291 373 A C -1.178 175.947 177.584 -0.765 0.000 1.268 373 A CA -0.632 51.090 52.037 -0.525 0.000 0.712 373 A CB 1.751 20.209 19.000 -0.904 0.000 1.320 373 A HN 0.926 nan 8.150 nan 0.000 0.456 374 H N 0.137 118.828 119.070 -0.631 0.000 2.690 374 H HA 0.395 4.955 4.556 0.007 0.000 0.368 374 H C -0.996 173.945 175.328 -0.645 0.000 1.150 374 H CA -0.386 55.302 56.048 -0.600 0.000 1.174 374 H CB 1.982 31.384 29.762 -0.600 0.000 1.684 374 H HN 0.914 nan 8.280 nan 0.000 0.538 375 D N 0.520 120.802 120.400 -0.197 0.000 2.530 375 D HA 0.185 4.829 4.640 0.007 0.000 0.282 375 D C 1.257 177.651 176.300 0.156 0.000 1.204 375 D CA -0.406 53.562 54.000 -0.053 0.000 1.093 375 D CB 0.140 40.914 40.800 -0.044 0.000 1.154 375 D HN 0.445 nan 8.370 nan 0.000 0.593 376 A N -0.507 122.391 122.820 0.129 0.000 1.978 376 A HA -0.107 4.217 4.320 0.007 0.000 0.220 376 A C 1.849 179.498 177.584 0.109 0.000 1.170 376 A CA 2.235 54.348 52.037 0.127 0.000 0.636 376 A CB -0.806 18.240 19.000 0.077 0.000 0.810 376 A HN 0.569 nan 8.150 nan 0.000 0.448 377 S N -2.770 112.986 115.700 0.094 0.000 2.568 377 S HA 0.452 4.926 4.470 0.007 0.000 0.232 377 S C 1.245 175.896 174.600 0.084 0.000 0.975 377 S CA 0.819 59.061 58.200 0.070 0.000 0.949 377 S CB 0.168 63.395 63.200 0.045 0.000 0.829 377 S HN 1.809 nan 8.310 nan 0.000 0.479 378 G N 1.746 110.630 108.800 0.141 0.000 2.199 378 G HA2 -0.325 3.639 3.960 0.007 0.000 0.254 378 G HA3 -0.325 3.639 3.960 0.007 0.000 0.254 378 G C 0.034 175.027 174.900 0.155 0.000 0.982 378 G CA 0.228 45.413 45.100 0.142 0.000 0.632 378 G HN 0.721 nan 8.290 nan 0.000 0.529 379 K N 1.179 121.628 120.400 0.081 0.000 2.401 379 K HA 0.407 4.731 4.320 0.007 0.000 0.278 379 K C 0.932 177.493 176.600 -0.066 0.000 1.018 379 K CA -0.498 55.806 56.287 0.028 0.000 0.981 379 K CB 0.254 32.754 32.500 -0.001 0.000 0.933 379 K HN 0.346 nan 8.250 nan 0.000 0.477 380 R N 1.852 122.259 120.500 -0.154 0.000 2.570 380 R HA 0.108 4.452 4.340 0.007 0.000 0.277 380 R C -0.612 175.450 176.300 -0.398 0.000 1.039 380 R CA -0.064 55.762 56.100 -0.456 0.000 1.065 380 R CB 0.909 30.952 30.300 -0.429 0.000 0.964 380 R HN 0.423 nan 8.270 nan 0.000 0.428 381 V N 4.647 124.262 119.914 -0.497 0.000 2.668 381 V HA 0.363 4.487 4.120 0.007 0.000 0.304 381 V C -1.500 174.401 176.094 -0.321 0.000 1.071 381 V CA -0.785 61.330 62.300 -0.309 0.000 0.894 381 V CB 1.357 33.073 31.823 -0.178 0.000 1.008 381 V HN 0.624 nan 8.190 nan 0.000 0.425 382 Y N 7.196 127.483 120.300 -0.023 0.000 2.299 382 Y HA 0.700 5.254 4.550 0.007 0.000 0.326 382 Y C 0.078 176.039 175.900 0.101 0.000 1.164 382 Y CA 0.228 58.325 58.100 -0.005 0.000 1.234 382 Y CB 1.260 39.676 38.460 -0.073 0.000 1.219 382 Y HN 0.839 nan 8.280 nan 0.000 0.497 383 Y N -0.596 119.753 120.300 0.082 0.000 2.638 383 Y HA 0.719 5.273 4.550 0.006 0.000 0.335 383 Y C -2.161 173.797 175.900 0.096 0.000 1.155 383 Y CA -2.149 55.991 58.100 0.066 0.000 1.046 383 Y CB 0.747 39.217 38.460 0.017 0.000 1.303 383 Y HN 0.431 nan 8.280 nan 0.000 0.460 384 L N 2.551 123.795 121.223 0.035 0.000 2.289 384 L HA 0.706 5.050 4.340 0.007 0.000 0.285 384 L C 0.222 177.249 176.870 0.262 0.000 1.049 384 L CA -0.337 54.531 54.840 0.047 0.000 0.804 384 L CB 1.787 43.923 42.059 0.129 0.000 1.195 384 L HN 0.991 nan 8.230 nan 0.000 0.428 385 T N 2.766 117.433 114.554 0.188 0.000 2.716 385 T HA 0.810 5.164 4.350 0.007 0.000 0.286 385 T C -1.256 173.572 174.700 0.213 0.000 1.052 385 T CA -0.650 61.638 62.100 0.313 0.000 1.024 385 T CB 1.661 70.704 68.868 0.292 0.000 1.349 385 T HN 0.785 nan 8.240 nan 0.000 0.525 386 R N 0.455 121.037 120.500 0.135 0.000 2.733 386 R HA 0.454 4.798 4.340 0.007 0.000 0.272 386 R C -1.453 174.714 176.300 -0.223 0.000 1.029 386 R CA -1.000 55.073 56.100 -0.044 0.000 0.888 386 R CB 0.408 30.649 30.300 -0.097 0.000 1.251 386 R HN 0.539 nan 8.270 nan 0.000 0.464 387 D N 1.750 122.016 120.400 -0.224 0.000 2.487 387 D HA 0.034 4.678 4.640 0.007 0.000 0.243 387 D C -1.444 174.518 176.300 -0.564 0.000 1.154 387 D CA -1.040 52.776 54.000 -0.308 0.000 0.876 387 D CB 1.183 41.879 40.800 -0.174 0.000 1.161 387 D HN 0.320 nan 8.370 nan 0.000 0.478 388 P HA 0.064 nan 4.420 nan 0.000 0.255 388 P C 0.980 177.956 177.300 -0.540 0.000 1.301 388 P CA 0.035 62.469 63.100 -1.109 0.000 0.817 388 P CB 0.318 31.187 31.700 -1.384 0.000 1.259 389 T N -0.777 113.585 114.554 -0.318 0.000 2.674 389 T HA -0.112 4.242 4.350 0.007 0.000 0.265 389 T C 1.674 176.316 174.700 -0.096 0.000 1.039 389 T CA 2.151 64.160 62.100 -0.152 0.000 1.150 389 T CB -1.005 67.821 68.868 -0.071 0.000 0.864 389 T HN 0.191 nan 8.240 nan 0.000 0.427 390 T N 2.293 116.797 114.554 -0.083 0.000 2.737 390 T HA -0.041 4.313 4.350 0.007 0.000 0.265 390 T C -0.577 174.090 174.700 -0.055 0.000 1.038 390 T CA 1.046 63.127 62.100 -0.033 0.000 1.144 390 T CB -1.303 67.587 68.868 0.036 0.000 0.866 390 T HN 0.324 nan 8.240 nan 0.000 0.434 391 P HA -0.038 nan 4.420 nan 0.000 0.216 391 P C 1.444 178.775 177.300 0.052 0.000 1.153 391 P CA 1.008 64.109 63.100 0.001 0.000 0.858 391 P CB -0.192 31.475 31.700 -0.055 0.000 0.789 392 L N -1.640 119.567 121.223 -0.026 0.000 2.131 392 L HA -0.044 4.300 4.340 0.007 0.000 0.206 392 L C 2.500 179.409 176.870 0.065 0.000 1.087 392 L CA 1.171 56.024 54.840 0.021 0.000 0.767 392 L CB -1.127 40.902 42.059 -0.050 0.000 0.917 392 L HN -0.072 nan 8.230 nan 0.000 0.441 393 A N 0.528 123.377 122.820 0.048 0.000 1.883 393 A HA -0.228 4.096 4.320 0.007 0.000 0.217 393 A C 2.388 180.044 177.584 0.120 0.000 1.186 393 A CA 1.659 53.747 52.037 0.086 0.000 0.624 393 A CB -0.474 18.558 19.000 0.054 0.000 0.822 393 A HN 0.321 nan 8.150 nan 0.000 0.444 394 R N -0.668 119.874 120.500 0.069 0.000 2.092 394 R HA -0.016 4.328 4.340 0.007 0.000 0.231 394 R C 2.478 178.927 176.300 0.250 0.000 1.119 394 R CA 1.073 57.230 56.100 0.097 0.000 0.970 394 R CB -0.456 29.844 30.300 0.000 0.000 0.864 394 R HN 0.513 nan 8.270 nan 0.000 0.440 395 A N 1.409 124.403 122.820 0.290 0.000 1.940 395 A HA -0.147 4.177 4.320 0.007 0.000 0.219 395 A C 2.379 180.209 177.584 0.411 0.000 1.176 395 A CA 1.727 54.051 52.037 0.478 0.000 0.631 395 A CB -0.645 18.662 19.000 0.511 0.000 0.814 395 A HN 0.398 nan 8.150 nan 0.000 0.446 396 A N -1.186 121.786 122.820 0.253 0.000 1.883 396 A HA -0.210 4.114 4.320 0.007 0.000 0.217 396 A C 2.115 179.835 177.584 0.226 0.000 1.186 396 A CA 1.478 53.629 52.037 0.189 0.000 0.624 396 A CB -0.956 18.140 19.000 0.159 0.000 0.822 396 A HN 0.831 nan 8.150 nan 0.000 0.444 397 W N 0.974 122.333 121.300 0.097 0.000 2.335 397 W HA -0.174 4.486 4.660 0.001 0.000 0.311 397 W C 1.780 178.369 176.519 0.117 0.000 1.213 397 W CA 2.084 59.477 57.345 0.079 0.000 1.274 397 W CB -0.385 29.100 29.460 0.042 0.000 1.148 397 W HN 0.567 nan 8.180 nan 0.000 0.498 398 E N -0.898 119.583 120.200 0.468 0.000 2.347 398 E HA -0.132 4.222 4.350 0.007 0.000 0.196 398 E C 1.962 178.756 176.600 0.325 0.000 1.008 398 E CA 1.487 58.129 56.400 0.404 0.000 0.852 398 E CB -0.211 29.762 29.700 0.455 0.000 0.783 398 E HN 0.089 nan 8.360 nan 0.000 0.505 399 T N 0.381 115.118 114.554 0.306 0.000 2.833 399 T HA -0.116 4.238 4.350 0.007 0.000 0.269 399 T C 1.817 176.564 174.700 0.079 0.000 1.054 399 T CA 1.286 63.492 62.100 0.175 0.000 1.135 399 T CB 0.016 68.992 68.868 0.179 0.000 0.869 399 T HN 0.245 nan 8.240 nan 0.000 0.466 400 A N 0.284 123.125 122.820 0.034 0.000 2.085 400 A HA 0.284 4.608 4.320 0.007 0.000 0.208 400 A C 1.112 178.697 177.584 0.001 0.000 1.191 400 A CA 0.110 52.125 52.037 -0.037 0.000 0.799 400 A CB 0.422 19.324 19.000 -0.163 0.000 0.877 400 A HN 0.115 nan 8.150 nan 0.000 0.473 401 R N 0.773 121.295 120.500 0.036 0.000 2.480 401 R HA 0.372 4.716 4.340 0.007 0.000 0.306 401 R C -1.537 174.922 176.300 0.266 0.000 0.958 401 R CA -0.623 55.568 56.100 0.152 0.000 0.861 401 R CB 0.805 31.182 30.300 0.129 0.000 1.171 401 R HN 0.392 nan 8.270 nan 0.000 0.445 402 H N 0.865 120.009 119.070 0.124 0.000 2.886 402 H HA 0.108 4.668 4.556 0.007 0.000 0.329 402 H C 0.679 176.083 175.328 0.126 0.000 1.044 402 H CA 0.647 56.770 56.048 0.125 0.000 1.456 402 H CB 0.642 30.453 29.762 0.083 0.000 1.464 402 H HN 0.549 nan 8.280 nan 0.000 0.573 403 T N 0.701 115.355 114.554 0.168 0.000 2.916 403 T HA 0.307 4.661 4.350 0.007 0.000 0.292 403 T C -1.643 173.053 174.700 -0.006 0.000 1.055 403 T CA -1.893 60.265 62.100 0.097 0.000 1.009 403 T CB 1.938 70.866 68.868 0.100 0.000 1.118 403 T HN 0.307 nan 8.240 nan 0.000 0.497 404 P HA 0.089 nan 4.420 nan 0.000 0.218 404 P C 0.118 177.333 177.300 -0.141 0.000 1.149 404 P CA 0.432 63.424 63.100 -0.180 0.000 0.817 404 P CB 0.073 31.669 31.700 -0.172 0.000 0.785 405 V N 1.928 121.778 119.914 -0.107 0.000 2.444 405 V HA 0.213 4.337 4.120 0.007 0.000 0.294 405 V C -0.136 175.874 176.094 -0.141 0.000 1.022 405 V CA -0.795 61.431 62.300 -0.123 0.000 0.850 405 V CB 1.585 33.343 31.823 -0.108 0.000 0.992 405 V HN 0.035 nan 8.190 nan 0.000 0.426 406 N N 3.335 121.893 118.700 -0.236 0.000 2.521 406 N HA 0.055 4.799 4.740 0.007 0.000 0.236 406 N C 1.336 176.579 175.510 -0.444 0.000 1.067 406 N CA 0.174 52.991 53.050 -0.389 0.000 0.939 406 N CB 1.604 39.660 38.487 -0.719 0.000 1.201 406 N HN 0.807 nan 8.380 nan 0.000 0.511 407 S N 2.514 118.088 115.700 -0.210 0.000 2.419 407 S HA -0.123 4.351 4.470 0.007 0.000 0.233 407 S C 1.818 176.363 174.600 -0.090 0.000 1.016 407 S CA 0.237 58.368 58.200 -0.116 0.000 0.974 407 S CB -0.391 62.793 63.200 -0.027 0.000 0.786 407 S HN 0.805 nan 8.310 nan 0.000 0.492 408 W N 1.032 122.249 121.300 -0.139 0.000 2.363 408 W HA -0.023 4.640 4.660 0.005 0.000 0.296 408 W C 1.664 178.091 176.519 -0.153 0.000 1.212 408 W CA 0.491 57.712 57.345 -0.207 0.000 1.260 408 W CB -0.916 28.099 29.460 -0.742 0.000 1.131 408 W HN 0.382 nan 8.180 nan 0.000 0.530 409 L N 2.745 123.364 121.223 -1.006 0.000 2.095 409 L HA 0.242 4.586 4.340 0.007 0.000 0.204 409 L C 2.649 179.324 176.870 -0.324 0.000 1.080 409 L CA 2.640 56.931 54.840 -0.915 0.000 0.759 409 L CB -1.346 39.886 42.059 -1.379 0.000 0.914 409 L HN 0.032 nan 8.230 nan 0.000 0.439 410 G N -0.544 108.094 108.800 -0.270 0.000 2.422 410 G HA2 -0.288 3.676 3.960 0.007 0.000 0.218 410 G HA3 -0.288 3.676 3.960 0.007 0.000 0.218 410 G C 1.455 176.365 174.900 0.018 0.000 1.146 410 G CA 0.746 45.779 45.100 -0.111 0.000 0.769 410 G HN 0.430 nan 8.290 nan 0.000 0.547 411 N N 0.484 119.249 118.700 0.108 0.000 2.216 411 N HA 0.014 4.758 4.740 0.007 0.000 0.183 411 N C 2.230 177.884 175.510 0.240 0.000 1.017 411 N CA 0.511 53.745 53.050 0.306 0.000 0.861 411 N CB -0.111 38.631 38.487 0.426 0.000 0.986 411 N HN 0.324 nan 8.380 nan 0.000 0.428 412 I N 0.884 121.559 120.570 0.176 0.000 2.226 412 I HA -0.205 3.969 4.170 0.007 0.000 0.245 412 I C 2.002 178.177 176.117 0.097 0.000 1.100 412 I CA 0.844 62.232 61.300 0.147 0.000 1.374 412 I CB -0.089 38.067 38.000 0.259 0.000 1.057 412 I HN 0.047 nan 8.210 nan 0.000 0.413 413 I N -0.127 120.503 120.570 0.099 0.000 2.202 413 I HA -0.279 3.895 4.170 0.007 0.000 0.242 413 I C 2.428 178.655 176.117 0.184 0.000 1.091 413 I CA 1.238 62.617 61.300 0.132 0.000 1.368 413 I CB -0.173 37.895 38.000 0.114 0.000 1.058 413 I HN 0.208 nan 8.210 nan 0.000 0.410 414 M N -0.871 118.770 119.600 0.068 0.000 2.388 414 M HA -0.060 4.424 4.480 0.007 0.000 0.265 414 M C 0.996 177.203 176.300 -0.154 0.000 1.088 414 M CA 1.473 56.742 55.300 -0.052 0.000 1.134 414 M CB -0.518 31.932 32.600 -0.250 0.000 1.384 414 M HN 0.175 nan 8.290 nan 0.000 0.447 415 Y N -0.351 119.962 120.300 0.022 0.000 2.720 415 Y HA 0.457 5.011 4.550 0.006 0.000 0.277 415 Y C 1.852 177.512 175.900 -0.400 0.000 1.144 415 Y CA -0.396 57.600 58.100 -0.174 0.000 1.221 415 Y CB -0.970 37.319 38.460 -0.286 0.000 1.163 415 Y HN 0.154 nan 8.280 nan 0.000 0.537 416 A N 1.094 123.727 122.820 -0.312 0.000 1.903 416 A HA -0.189 4.135 4.320 0.007 0.000 0.219 416 A C -0.327 176.972 177.584 -0.475 0.000 1.191 416 A CA 1.802 53.593 52.037 -0.410 0.000 0.638 416 A CB -1.471 17.251 19.000 -0.464 0.000 0.823 416 A HN 0.277 nan 8.150 nan 0.000 0.451 417 P HA 0.030 nan 4.420 nan 0.000 0.237 417 P C 0.568 177.602 177.300 -0.443 0.000 1.178 417 P CA 1.175 63.999 63.100 -0.460 0.000 0.766 417 P CB -0.475 30.976 31.700 -0.416 0.000 0.876 418 T N -1.959 112.334 114.554 -0.435 0.000 2.868 418 T HA 0.209 4.563 4.350 0.007 0.000 0.292 418 T C 1.176 175.478 174.700 -0.664 0.000 1.028 418 T CA -0.675 61.116 62.100 -0.516 0.000 1.059 418 T CB 0.686 69.016 68.868 -0.895 0.000 0.991 418 T HN -0.064 nan 8.240 nan 0.000 0.531 419 L N 0.261 121.019 121.223 -0.775 0.000 2.217 419 L HA 0.209 4.553 4.340 0.007 0.000 0.211 419 L C 2.169 178.735 176.870 -0.507 0.000 1.107 419 L CA 0.567 54.918 54.840 -0.814 0.000 0.783 419 L CB -1.050 40.317 42.059 -1.153 0.000 0.919 419 L HN 0.866 nan 8.230 nan 0.000 0.442 420 W N -0.425 120.663 121.300 -0.354 0.000 2.576 420 W HA 0.355 5.019 4.660 0.006 0.000 0.275 420 W C 2.008 178.378 176.519 -0.248 0.000 1.241 420 W CA 0.379 57.546 57.345 -0.296 0.000 1.328 420 W CB -0.989 28.332 29.460 -0.231 0.000 1.092 420 W HN 0.258 nan 8.180 nan 0.000 0.586 421 A N 2.020 124.475 122.820 -0.608 0.000 1.897 421 A HA -0.095 4.229 4.320 0.007 0.000 0.215 421 A C 2.254 179.697 177.584 -0.234 0.000 1.181 421 A CA 1.538 53.325 52.037 -0.417 0.000 0.620 421 A CB -0.712 17.880 19.000 -0.680 0.000 0.821 421 A HN 0.256 nan 8.150 nan 0.000 0.443 422 R N -0.949 119.329 120.500 -0.369 0.000 2.057 422 R HA 0.039 4.383 4.340 0.007 0.000 0.229 422 R C 2.289 178.382 176.300 -0.344 0.000 1.136 422 R CA 1.718 57.606 56.100 -0.352 0.000 0.952 422 R CB -0.362 29.601 30.300 -0.562 0.000 0.848 422 R HN 0.502 nan 8.270 nan 0.000 0.430 423 M N -0.211 119.038 119.600 -0.584 0.000 2.236 423 M HA -0.038 4.446 4.480 0.007 0.000 0.266 423 M C 1.990 178.173 176.300 -0.194 0.000 1.070 423 M CA 1.545 56.542 55.300 -0.505 0.000 1.137 423 M CB 0.029 32.287 32.600 -0.570 0.000 1.378 423 M HN 0.127 nan 8.290 nan 0.000 0.426 424 I N -0.664 119.657 120.570 -0.415 0.000 2.726 424 I HA -0.104 4.070 4.170 0.007 0.000 0.243 424 I C 2.126 178.033 176.117 -0.350 0.000 1.082 424 I CA 0.419 61.200 61.300 -0.864 0.000 1.447 424 I CB -0.244 37.222 38.000 -0.889 0.000 1.250 424 I HN 0.138 nan 8.210 nan 0.000 0.453 425 L N 0.264 121.476 121.223 -0.018 0.000 2.027 425 L HA -0.186 4.158 4.340 0.007 0.000 0.206 425 L C 2.681 179.814 176.870 0.439 0.000 1.074 425 L CA 1.602 56.615 54.840 0.287 0.000 0.745 425 L CB -0.413 41.867 42.059 0.368 0.000 0.898 425 L HN 0.277 nan 8.230 nan 0.000 0.433 426 M N -0.987 118.848 119.600 0.392 0.000 2.159 426 M HA -0.177 4.307 4.480 0.007 0.000 0.263 426 M C 2.253 179.034 176.300 0.802 0.000 1.063 426 M CA 1.850 57.503 55.300 0.589 0.000 1.110 426 M CB -0.572 32.218 32.600 0.316 0.000 1.374 426 M HN 0.258 nan 8.290 nan 0.000 0.411 427 T N -1.413 113.564 114.554 0.704 0.000 2.701 427 T HA -0.192 4.162 4.350 0.007 0.000 0.263 427 T C 1.651 176.655 174.700 0.507 0.000 1.040 427 T CA 1.681 64.195 62.100 0.689 0.000 1.147 427 T CB -0.470 68.862 68.868 0.775 0.000 0.865 427 T HN 0.431 nan 8.240 nan 0.000 0.426 428 H N 0.389 119.647 119.070 0.314 0.000 2.290 428 H HA -0.040 4.520 4.556 0.006 0.000 0.298 428 H C 1.711 176.927 175.328 -0.186 0.000 1.087 428 H CA 1.723 57.816 56.048 0.075 0.000 1.291 428 H CB -0.459 29.194 29.762 -0.181 0.000 1.369 428 H HN 0.355 nan 8.280 nan 0.000 0.492 429 F N -1.487 118.432 119.950 -0.052 0.000 2.335 429 F HA 0.039 4.570 4.527 0.006 0.000 0.296 429 F C 1.952 177.576 175.800 -0.294 0.000 1.091 429 F CA 0.324 58.057 58.000 -0.445 0.000 1.399 429 F CB -0.415 37.944 39.000 -1.068 0.000 1.067 429 F HN 0.122 nan 8.300 nan 0.000 0.520 430 F N -0.520 119.527 119.950 0.162 0.000 2.234 430 F HA -0.185 4.346 4.527 0.008 0.000 0.299 430 F C 2.738 178.566 175.800 0.047 0.000 1.087 430 F CA 1.480 59.581 58.000 0.169 0.000 1.340 430 F CB -0.813 38.379 39.000 0.320 0.000 1.031 430 F HN -0.107 nan 8.300 nan 0.000 0.500 431 S N 0.371 116.158 115.700 0.144 0.000 2.368 431 S HA -0.184 4.290 4.470 0.007 0.000 0.225 431 S C 2.115 176.679 174.600 -0.060 0.000 1.030 431 S CA 1.419 59.629 58.200 0.018 0.000 0.999 431 S CB -0.453 62.742 63.200 -0.008 0.000 0.844 431 S HN 0.336 nan 8.310 nan 0.000 0.459 432 I N 1.056 121.530 120.570 -0.160 0.000 2.252 432 I HA -0.152 4.022 4.170 0.007 0.000 0.245 432 I C 2.134 178.207 176.117 -0.073 0.000 1.102 432 I CA 1.016 62.214 61.300 -0.169 0.000 1.385 432 I CB -0.293 37.535 38.000 -0.286 0.000 1.064 432 I HN 0.305 nan 8.210 nan 0.000 0.414 433 L N 0.021 121.208 121.223 -0.060 0.000 2.093 433 L HA -0.195 4.149 4.340 0.007 0.000 0.208 433 L C 2.506 179.395 176.870 0.031 0.000 1.085 433 L CA 1.097 55.926 54.840 -0.017 0.000 0.755 433 L CB -0.495 41.520 42.059 -0.073 0.000 0.904 433 L HN 0.259 nan 8.230 nan 0.000 0.435 434 L N -0.103 121.152 121.223 0.054 0.000 1.970 434 L HA -0.227 4.117 4.340 0.007 0.000 0.212 434 L C 2.908 179.795 176.870 0.028 0.000 1.071 434 L CA 1.468 56.343 54.840 0.058 0.000 0.751 434 L CB -0.737 41.358 42.059 0.060 0.000 0.889 434 L HN 0.241 nan 8.230 nan 0.000 0.432 435 A N -1.060 121.764 122.820 0.006 0.000 1.978 435 A HA -0.197 4.127 4.320 0.007 0.000 0.220 435 A C 2.076 179.664 177.584 0.007 0.000 1.170 435 A CA 1.366 53.402 52.037 -0.002 0.000 0.636 435 A CB -0.282 18.705 19.000 -0.021 0.000 0.810 435 A HN 0.447 nan 8.150 nan 0.000 0.448 436 Q N -0.725 119.083 119.800 0.013 0.000 2.360 436 Q HA 0.084 4.428 4.340 0.007 0.000 0.202 436 Q C -0.410 175.612 176.000 0.037 0.000 0.915 436 Q CA 0.308 56.128 55.803 0.028 0.000 0.943 436 Q CB -0.024 28.738 28.738 0.041 0.000 1.064 436 Q HN 0.775 nan 8.270 nan 0.000 0.511 437 E N 0.715 120.937 120.200 0.037 0.000 2.269 437 E HA -0.253 4.101 4.350 0.007 0.000 0.223 437 E C -0.263 176.368 176.600 0.053 0.000 1.244 437 E CA 0.281 56.708 56.400 0.045 0.000 0.713 437 E CB -0.910 28.813 29.700 0.038 0.000 1.178 437 E HN 0.460 nan 8.360 nan 0.000 0.370 438 Q N -0.281 119.553 119.800 0.057 0.000 2.175 438 Q HA 0.094 4.438 4.340 0.007 0.000 0.225 438 Q C 1.255 177.296 176.000 0.069 0.000 0.837 438 Q CA -0.524 55.318 55.803 0.066 0.000 1.032 438 Q CB 0.463 29.247 28.738 0.076 0.000 1.137 438 Q HN 0.197 nan 8.270 nan 0.000 0.483 439 L N 1.103 122.373 121.223 0.078 0.000 2.081 439 L HA -0.203 4.141 4.340 0.007 0.000 0.212 439 L C 2.036 178.967 176.870 0.101 0.000 1.080 439 L CA 1.838 56.740 54.840 0.103 0.000 0.754 439 L CB -0.511 41.638 42.059 0.150 0.000 0.893 439 L HN 0.294 nan 8.230 nan 0.000 0.433 440 E N -0.514 119.738 120.200 0.086 0.000 2.435 440 E HA -0.067 4.287 4.350 0.007 0.000 0.195 440 E C 0.921 177.565 176.600 0.073 0.000 1.029 440 E CA 0.044 56.491 56.400 0.078 0.000 0.865 440 E CB 0.157 29.897 29.700 0.066 0.000 0.833 440 E HN 0.370 nan 8.360 nan 0.000 0.510 441 K N 1.463 121.908 120.400 0.075 0.000 2.312 441 K HA 0.300 4.624 4.320 0.007 0.000 0.287 441 K C -0.497 176.147 176.600 0.074 0.000 1.062 441 K CA -0.213 56.119 56.287 0.074 0.000 0.934 441 K CB 0.830 33.378 32.500 0.080 0.000 1.027 441 K HN -0.159 nan 8.250 nan 0.000 0.478 442 A N 5.444 128.305 122.820 0.068 0.000 2.477 442 A HA 0.275 4.599 4.320 0.007 0.000 0.246 442 A C -0.440 177.174 177.584 0.051 0.000 1.078 442 A CA -0.107 51.967 52.037 0.062 0.000 0.770 442 A CB 0.063 19.104 19.000 0.069 0.000 1.011 442 A HN 0.769 nan 8.150 nan 0.000 0.494 443 L N 2.159 123.395 121.223 0.020 0.000 2.362 443 L HA 0.392 4.736 4.340 0.007 0.000 0.271 443 L C -0.862 175.974 176.870 -0.056 0.000 1.002 443 L CA -1.061 53.765 54.840 -0.023 0.000 0.818 443 L CB 2.075 44.092 42.059 -0.070 0.000 1.298 443 L HN 0.583 nan 8.230 nan 0.000 0.420 444 D N 1.271 121.634 120.400 -0.061 0.000 2.255 444 D HA 0.483 5.127 4.640 0.007 0.000 0.249 444 D C -0.465 175.750 176.300 -0.141 0.000 1.078 444 D CA 0.000 53.967 54.000 -0.055 0.000 0.896 444 D CB 1.567 42.356 40.800 -0.017 0.000 1.194 444 D HN 0.602 nan 8.370 nan 0.000 0.429 445 C N 0.371 119.595 119.300 -0.126 0.000 3.171 445 C HA 0.650 5.114 4.460 0.007 0.000 0.308 445 C C -0.879 174.052 174.990 -0.097 0.000 1.334 445 C CA -0.873 58.047 59.018 -0.163 0.000 1.473 445 C CB 1.185 28.780 27.740 -0.241 0.000 1.866 445 C HN 0.509 nan 8.230 nan 0.000 0.465 446 Q N 0.780 120.524 119.800 -0.093 0.000 2.282 446 Q HA 0.770 5.114 4.340 0.007 0.000 0.260 446 Q C -1.122 174.850 176.000 -0.046 0.000 0.964 446 Q CA -0.277 55.496 55.803 -0.050 0.000 0.880 446 Q CB 1.981 30.692 28.738 -0.045 0.000 1.286 446 Q HN 0.728 nan 8.270 nan 0.000 0.445 447 I N 2.706 123.268 120.570 -0.014 0.000 2.534 447 I HA 0.166 4.340 4.170 0.007 0.000 0.288 447 I C -1.071 175.083 176.117 0.061 0.000 1.077 447 I CA -0.859 60.371 61.300 -0.117 0.000 1.051 447 I CB 1.365 39.053 38.000 -0.521 0.000 1.234 447 I HN 0.659 nan 8.210 nan 0.000 0.425 448 Y N 5.125 125.452 120.300 0.044 0.000 3.225 448 Y HA -0.255 4.299 4.550 0.006 0.000 0.211 448 Y C 1.473 177.307 175.900 -0.111 0.000 1.223 448 Y CA 1.089 59.178 58.100 -0.018 0.000 1.284 448 Y CB -2.055 36.400 38.460 -0.009 0.000 1.367 448 Y HN 1.002 nan 8.280 nan 0.000 0.566 449 G N -2.186 106.674 108.800 0.099 0.000 2.267 449 G HA2 -0.041 3.923 3.960 0.007 0.000 0.257 449 G HA3 -0.041 3.923 3.960 0.007 0.000 0.257 449 G C 0.454 175.362 174.900 0.013 0.000 0.998 449 G CA 0.253 45.375 45.100 0.038 0.000 0.620 449 G HN 1.572 nan 8.290 nan 0.000 0.529 450 A N -0.716 122.110 122.820 0.010 0.000 2.303 450 A HA 0.675 4.999 4.320 0.007 0.000 0.317 450 A C 0.522 177.886 177.584 -0.367 0.000 1.149 450 A CA 0.358 52.246 52.037 -0.249 0.000 0.822 450 A CB 1.213 19.989 19.000 -0.374 0.000 1.131 450 A HN 1.440 nan 8.150 nan 0.000 0.493 451 C N 2.026 121.019 119.300 -0.511 0.000 2.369 451 C HA 0.743 5.207 4.460 0.007 0.000 0.358 451 C C -1.094 173.426 174.990 -0.782 0.000 1.274 451 C CA -0.424 58.361 59.018 -0.389 0.000 1.935 451 C CB -1.334 26.351 27.740 -0.092 0.000 2.431 451 C HN 0.632 nan 8.230 nan 0.000 0.545 452 Y N 3.012 123.102 120.300 -0.349 0.000 2.446 452 Y HA 0.444 4.998 4.550 0.007 0.000 0.345 452 Y C 0.421 176.186 175.900 -0.226 0.000 0.984 452 Y CA -0.387 57.473 58.100 -0.400 0.000 1.058 452 Y CB 1.715 39.872 38.460 -0.505 0.000 1.220 452 Y HN 0.602 nan 8.280 nan 0.000 0.455 453 S N 4.059 119.724 115.700 -0.058 0.000 2.452 453 S HA 0.693 5.167 4.470 0.007 0.000 0.284 453 S C -0.879 173.769 174.600 0.079 0.000 1.171 453 S CA -0.278 57.950 58.200 0.045 0.000 1.064 453 S CB -0.356 62.902 63.200 0.097 0.000 0.967 453 S HN 0.563 nan 8.310 nan 0.000 0.484 454 I N 3.854 124.461 120.570 0.062 0.000 2.498 454 I HA 0.338 4.512 4.170 0.007 0.000 0.290 454 I C -0.206 175.949 176.117 0.062 0.000 1.032 454 I CA -0.591 60.758 61.300 0.081 0.000 1.073 454 I CB 2.184 40.230 38.000 0.075 0.000 1.251 454 I HN 0.606 nan 8.210 nan 0.000 0.426 455 E N 7.274 127.521 120.200 0.078 0.000 2.105 455 E HA 0.148 4.502 4.350 0.007 0.000 0.285 455 E C -1.781 174.881 176.600 0.104 0.000 1.055 455 E CA -1.548 54.901 56.400 0.082 0.000 0.843 455 E CB 0.997 30.743 29.700 0.077 0.000 1.067 455 E HN 0.325 nan 8.360 nan 0.000 0.398 456 P HA -0.176 nan 4.420 nan 0.000 0.218 456 P C 1.050 178.522 177.300 0.286 0.000 1.148 456 P CA 1.029 64.227 63.100 0.163 0.000 0.822 456 P CB 0.208 31.949 31.700 0.069 0.000 0.784 457 L N -0.854 120.508 121.223 0.232 0.000 2.450 457 L HA -0.126 4.218 4.340 0.007 0.000 0.224 457 L C 1.216 178.181 176.870 0.159 0.000 1.149 457 L CA 1.112 56.092 54.840 0.232 0.000 0.816 457 L CB -0.692 41.467 42.059 0.167 0.000 0.932 457 L HN -0.044 nan 8.230 nan 0.000 0.449 458 D N -0.493 119.985 120.400 0.130 0.000 2.340 458 D HA 0.019 4.663 4.640 0.007 0.000 0.220 458 D C 2.197 178.548 176.300 0.085 0.000 1.039 458 D CA 0.255 54.299 54.000 0.073 0.000 0.866 458 D CB 0.293 41.118 40.800 0.042 0.000 0.913 458 D HN 0.255 nan 8.370 nan 0.000 0.523 459 L N 0.971 122.293 121.223 0.166 0.000 2.013 459 L HA -0.165 4.179 4.340 0.007 0.000 0.212 459 L C -0.474 176.493 176.870 0.162 0.000 1.073 459 L CA 1.585 56.541 54.840 0.193 0.000 0.753 459 L CB -1.347 40.906 42.059 0.324 0.000 0.890 459 L HN 0.059 nan 8.230 nan 0.000 0.432 460 P HA -0.234 nan 4.420 nan 0.000 0.214 460 P C 1.418 178.761 177.300 0.072 0.000 1.169 460 P CA 1.443 64.570 63.100 0.045 0.000 0.908 460 P CB 0.017 31.578 31.700 -0.231 0.000 0.791 461 Q N -0.807 118.973 119.800 -0.033 0.000 2.077 461 Q HA -0.168 4.176 4.340 0.007 0.000 0.206 461 Q C 2.210 178.188 176.000 -0.037 0.000 0.989 461 Q CA 1.567 57.339 55.803 -0.052 0.000 0.853 461 Q CB -1.022 27.669 28.738 -0.079 0.000 0.907 461 Q HN 0.262 nan 8.270 nan 0.000 0.418 462 I N -0.098 120.451 120.570 -0.036 0.000 2.179 462 I HA -0.281 3.893 4.170 0.007 0.000 0.242 462 I C 2.049 178.165 176.117 -0.003 0.000 1.088 462 I CA 1.158 62.404 61.300 -0.090 0.000 1.357 462 I CB -0.273 37.683 38.000 -0.074 0.000 1.051 462 I HN 0.204 nan 8.210 nan 0.000 0.409 463 I N 0.402 121.030 120.570 0.097 0.000 2.286 463 I HA -0.286 3.888 4.170 0.007 0.000 0.248 463 I C 2.642 178.774 176.117 0.026 0.000 1.115 463 I CA 1.440 62.809 61.300 0.116 0.000 1.392 463 I CB -0.370 37.668 38.000 0.063 0.000 1.065 463 I HN 0.326 nan 8.210 nan 0.000 0.418 464 E N 1.154 121.389 120.200 0.059 0.000 2.047 464 E HA -0.231 4.123 4.350 0.007 0.000 0.191 464 E C 2.388 178.979 176.600 -0.016 0.000 0.987 464 E CA 0.956 57.379 56.400 0.039 0.000 0.799 464 E CB 0.080 29.854 29.700 0.124 0.000 0.752 464 E HN 0.254 nan 8.360 nan 0.000 0.449 465 R N 0.314 120.789 120.500 -0.041 0.000 2.105 465 R HA -0.115 4.229 4.340 0.007 0.000 0.239 465 R C 2.428 178.666 176.300 -0.105 0.000 1.135 465 R CA 1.021 57.073 56.100 -0.079 0.000 0.967 465 R CB -0.520 29.705 30.300 -0.125 0.000 0.861 465 R HN 0.390 nan 8.270 nan 0.000 0.442 466 L N -1.026 120.119 121.223 -0.130 0.000 2.307 466 L HA -0.017 4.327 4.340 0.007 0.000 0.211 466 L C 1.688 178.263 176.870 -0.492 0.000 1.099 466 L CA 0.969 55.627 54.840 -0.303 0.000 0.816 466 L CB -0.274 41.586 42.059 -0.331 0.000 0.952 466 L HN 0.269 nan 8.230 nan 0.000 0.455 467 H N -0.946 118.050 119.070 -0.124 0.000 3.400 467 H HA 0.294 4.854 4.556 0.006 0.000 0.251 467 H C 0.827 176.076 175.328 -0.132 0.000 1.040 467 H CA 0.786 56.752 56.048 -0.137 0.000 1.175 467 H CB 1.418 31.068 29.762 -0.186 0.000 1.487 467 H HN 0.248 nan 8.280 nan 0.000 0.505 468 G N 1.109 109.897 108.800 -0.021 0.000 2.690 468 G HA2 -0.214 3.750 3.960 0.007 0.000 0.686 468 G HA3 -0.214 3.750 3.960 0.007 0.000 0.686 468 G C 0.601 175.459 174.900 -0.070 0.000 1.277 468 G CA -0.151 44.932 45.100 -0.028 0.000 0.799 468 G HN 0.212 nan 8.290 nan 0.000 0.613 469 L N 1.063 122.302 121.223 0.025 0.000 2.187 469 L HA -0.141 4.203 4.340 0.007 0.000 0.213 469 L C 3.192 180.101 176.870 0.065 0.000 1.100 469 L CA 2.403 57.328 54.840 0.141 0.000 0.765 469 L CB -0.349 41.836 42.059 0.210 0.000 0.904 469 L HN 1.002 nan 8.230 nan 0.000 0.437 470 S N -0.250 115.439 115.700 -0.017 0.000 2.442 470 S HA -0.164 4.310 4.470 0.007 0.000 0.236 470 S C 2.099 176.618 174.600 -0.135 0.000 1.007 470 S CA 0.795 58.969 58.200 -0.043 0.000 0.965 470 S CB -0.248 62.917 63.200 -0.059 0.000 0.773 470 S HN 0.384 nan 8.310 nan 0.000 0.504 471 A N 0.916 123.563 122.820 -0.288 0.000 1.978 471 A HA 0.068 4.393 4.320 0.007 0.000 0.220 471 A C 1.640 179.006 177.584 -0.363 0.000 1.170 471 A CA 1.362 53.133 52.037 -0.444 0.000 0.636 471 A CB -0.952 17.653 19.000 -0.659 0.000 0.810 471 A HN 0.634 nan 8.150 nan 0.000 0.448 472 F N -0.514 119.442 119.950 0.010 0.000 2.780 472 F HA 0.152 4.683 4.527 0.006 0.000 0.299 472 F C 1.860 177.700 175.800 0.066 0.000 1.146 472 F CA 0.784 58.817 58.000 0.055 0.000 1.428 472 F CB 0.050 39.119 39.000 0.115 0.000 1.115 472 F HN 0.085 nan 8.300 nan 0.000 0.583 473 S N -0.595 115.202 115.700 0.160 0.000 2.733 473 S HA 0.306 4.780 4.470 0.007 0.000 0.247 473 S C 0.486 175.147 174.600 0.101 0.000 1.043 473 S CA -0.320 57.967 58.200 0.146 0.000 1.066 473 S CB 0.238 63.517 63.200 0.131 0.000 1.045 473 S HN -0.003 nan 8.310 nan 0.000 0.586 474 L N 3.465 124.665 121.223 -0.039 0.000 2.485 474 L HA 0.282 4.626 4.340 0.007 0.000 0.275 474 L C 0.407 177.182 176.870 -0.158 0.000 1.207 474 L CA 0.298 54.991 54.840 -0.245 0.000 0.855 474 L CB -0.014 41.760 42.059 -0.476 0.000 1.114 474 L HN 0.497 nan 8.230 nan 0.000 0.485 475 H N -1.559 117.340 119.070 -0.285 0.000 2.990 475 H HA 0.417 4.977 4.556 0.007 0.000 0.336 475 H C -0.241 174.978 175.328 -0.182 0.000 1.306 475 H CA -0.887 55.077 56.048 -0.139 0.000 1.118 475 H CB 1.188 30.952 29.762 0.004 0.000 1.856 475 H HN 0.410 nan 8.280 nan 0.000 0.538 476 S N -1.078 114.689 115.700 0.111 0.000 3.783 476 S HA -0.237 4.237 4.470 0.007 0.000 0.360 476 S C -0.370 174.266 174.600 0.059 0.000 1.006 476 S CA 0.477 58.745 58.200 0.113 0.000 1.115 476 S CB -2.764 60.488 63.200 0.087 0.000 0.893 476 S HN 0.575 nan 8.310 nan 0.000 0.475 477 Y N 2.256 122.599 120.300 0.072 0.000 2.546 477 Y HA 0.192 4.747 4.550 0.007 0.000 0.351 477 Y C 1.495 177.450 175.900 0.091 0.000 1.266 477 Y CA 0.724 58.869 58.100 0.074 0.000 1.487 477 Y CB 0.305 38.798 38.460 0.055 0.000 1.365 477 Y HN 0.520 nan 8.280 nan 0.000 0.642 478 S N 1.133 116.991 115.700 0.264 0.000 2.580 478 S HA 0.197 4.671 4.470 0.007 0.000 0.274 478 S C -2.041 172.644 174.600 0.142 0.000 1.329 478 S CA -1.226 57.072 58.200 0.163 0.000 1.036 478 S CB 1.421 64.696 63.200 0.124 0.000 0.919 478 S HN 0.407 nan 8.310 nan 0.000 0.515 479 P HA -0.019 nan 4.420 nan 0.000 0.216 479 P C 1.779 179.122 177.300 0.071 0.000 1.150 479 P CA 1.665 64.814 63.100 0.082 0.000 0.843 479 P CB -0.492 31.247 31.700 0.065 0.000 0.787 480 G N 0.012 108.852 108.800 0.066 0.000 2.469 480 G HA2 -0.319 3.645 3.960 0.007 0.000 0.219 480 G HA3 -0.319 3.645 3.960 0.007 0.000 0.219 480 G C 1.689 176.623 174.900 0.057 0.000 1.150 480 G CA 1.149 46.281 45.100 0.052 0.000 0.763 480 G HN 0.273 nan 8.290 nan 0.000 0.561 481 E N 0.463 120.716 120.200 0.089 0.000 2.072 481 E HA -0.002 4.352 4.350 0.007 0.000 0.190 481 E C 2.493 179.135 176.600 0.070 0.000 0.982 481 E CA 0.642 57.103 56.400 0.102 0.000 0.803 481 E CB -0.341 29.473 29.700 0.190 0.000 0.755 481 E HN 0.511 nan 8.360 nan 0.000 0.453 482 I N 0.914 121.529 120.570 0.075 0.000 2.179 482 I HA -0.291 3.883 4.170 0.007 0.000 0.242 482 I C 1.892 178.029 176.117 0.034 0.000 1.088 482 I CA 1.109 62.437 61.300 0.047 0.000 1.357 482 I CB -0.443 37.599 38.000 0.071 0.000 1.051 482 I HN 0.145 nan 8.210 nan 0.000 0.409 483 N N 0.771 119.494 118.700 0.038 0.000 2.104 483 N HA -0.217 4.527 4.740 0.007 0.000 0.190 483 N C 1.895 177.411 175.510 0.010 0.000 1.024 483 N CA 1.234 54.300 53.050 0.026 0.000 0.853 483 N CB -0.500 38.004 38.487 0.028 0.000 1.008 483 N HN 0.350 nan 8.380 nan 0.000 0.424 484 R N 0.953 121.456 120.500 0.005 0.000 2.081 484 R HA -0.044 4.300 4.340 0.007 0.000 0.235 484 R C 1.921 178.191 176.300 -0.049 0.000 1.131 484 R CA 0.980 57.068 56.100 -0.022 0.000 0.960 484 R CB -0.169 30.116 30.300 -0.026 0.000 0.856 484 R HN -0.030 nan 8.270 nan 0.000 0.436 485 V N 1.203 121.093 119.914 -0.040 0.000 2.261 485 V HA -0.264 3.860 4.120 0.007 0.000 0.246 485 V C 2.531 178.605 176.094 -0.033 0.000 1.047 485 V CA 1.980 64.245 62.300 -0.059 0.000 1.015 485 V CB -0.928 30.885 31.823 -0.018 0.000 0.642 485 V HN 0.574 nan 8.190 nan 0.000 0.446 486 A N 1.039 123.856 122.820 -0.004 0.000 1.873 486 A HA -0.281 4.043 4.320 0.007 0.000 0.218 486 A C 2.522 180.111 177.584 0.009 0.000 1.193 486 A CA 2.941 54.986 52.037 0.013 0.000 0.629 486 A CB -1.062 17.952 19.000 0.023 0.000 0.826 486 A HN 0.698 nan 8.150 nan 0.000 0.447 487 S N -0.968 114.733 115.700 0.002 0.000 2.399 487 S HA -0.232 4.242 4.470 0.007 0.000 0.231 487 S C 2.022 176.620 174.600 -0.003 0.000 1.022 487 S CA 1.239 59.441 58.200 0.004 0.000 0.983 487 S CB -1.543 61.657 63.200 0.001 0.000 0.803 487 S HN 0.794 nan 8.310 nan 0.000 0.480 488 C N 2.138 121.421 119.300 -0.029 0.000 2.453 488 C HA 0.143 4.607 4.460 0.007 0.000 0.277 488 C C 2.579 177.558 174.990 -0.019 0.000 1.262 488 C CA 0.437 59.428 59.018 -0.044 0.000 1.718 488 C CB -1.649 26.024 27.740 -0.113 0.000 2.031 488 C HN 0.658 nan 8.230 nan 0.000 0.480 489 L N 0.559 121.774 121.223 -0.013 0.000 2.079 489 L HA -0.153 4.191 4.340 0.007 0.000 0.210 489 L C 3.016 179.896 176.870 0.017 0.000 1.081 489 L CA 1.768 56.616 54.840 0.013 0.000 0.752 489 L CB -0.903 41.183 42.059 0.045 0.000 0.896 489 L HN 0.415 nan 8.230 nan 0.000 0.433 490 R N 0.324 120.842 120.500 0.031 0.000 2.066 490 R HA -0.161 4.183 4.340 0.007 0.000 0.232 490 R C 2.354 178.717 176.300 0.104 0.000 1.131 490 R CA 1.229 57.361 56.100 0.054 0.000 0.955 490 R CB -0.271 30.059 30.300 0.051 0.000 0.851 490 R HN 0.287 nan 8.270 nan 0.000 0.432 491 K N 0.656 121.109 120.400 0.089 0.000 2.032 491 K HA -0.161 4.163 4.320 0.007 0.000 0.209 491 K C 1.632 178.371 176.600 0.231 0.000 1.048 491 K CA 1.316 57.680 56.287 0.129 0.000 0.927 491 K CB 0.031 32.572 32.500 0.069 0.000 0.712 491 K HN -0.002 nan 8.250 nan 0.000 0.441 492 L N 0.155 121.445 121.223 0.112 0.000 2.554 492 L HA 0.165 4.509 4.340 0.007 0.000 0.226 492 L C 0.984 177.738 176.870 -0.193 0.000 1.137 492 L CA 1.453 56.331 54.840 0.064 0.000 0.863 492 L CB -0.203 41.873 42.059 0.028 0.000 0.985 492 L HN 0.542 nan 8.230 nan 0.000 0.451 493 G N 0.007 108.581 108.800 -0.377 0.000 2.246 493 G HA2 -0.223 3.741 3.960 0.007 0.000 0.273 493 G HA3 -0.223 3.741 3.960 0.007 0.000 0.273 493 G C 0.155 174.896 174.900 -0.264 0.000 1.055 493 G CA 0.285 44.986 45.100 -0.666 0.000 0.851 493 G HN 0.129 nan 8.290 nan 0.000 0.500 494 V N 0.930 120.793 119.914 -0.085 0.000 2.546 494 V HA 0.418 4.542 4.120 0.007 0.000 0.284 494 V C -1.161 174.997 176.094 0.107 0.000 1.050 494 V CA -1.555 60.781 62.300 0.060 0.000 0.981 494 V CB 1.425 33.313 31.823 0.109 0.000 0.990 494 V HN 0.204 nan 8.190 nan 0.000 0.474 495 P HA 0.144 nan 4.420 nan 0.000 0.267 495 P C -2.457 174.955 177.300 0.186 0.000 1.200 495 P CA -0.803 62.321 63.100 0.039 0.000 0.772 495 P CB -0.221 31.347 31.700 -0.221 0.000 0.855 496 P HA 0.103 nan 4.420 nan 0.000 0.274 496 P C 0.818 178.285 177.300 0.278 0.000 1.256 496 P CA -0.163 63.037 63.100 0.166 0.000 0.795 496 P CB 0.838 32.590 31.700 0.086 0.000 1.038 497 L N 0.413 121.799 121.223 0.272 0.000 2.191 497 L HA -0.187 4.157 4.340 0.007 0.000 0.212 497 L C 2.847 179.899 176.870 0.303 0.000 1.103 497 L CA 1.656 56.688 54.840 0.320 0.000 0.769 497 L CB -0.851 41.310 42.059 0.170 0.000 0.908 497 L HN 0.454 nan 8.230 nan 0.000 0.438 498 R N -0.396 120.224 120.500 0.200 0.000 2.092 498 R HA -0.088 4.256 4.340 0.007 0.000 0.231 498 R C 2.002 178.391 176.300 0.149 0.000 1.119 498 R CA 1.231 57.433 56.100 0.171 0.000 0.970 498 R CB -1.068 29.297 30.300 0.108 0.000 0.864 498 R HN 0.095 nan 8.270 nan 0.000 0.440 499 V N 0.666 120.616 119.914 0.061 0.000 2.295 499 V HA -0.204 3.920 4.120 0.007 0.000 0.246 499 V C 1.970 178.036 176.094 -0.045 0.000 1.049 499 V CA 1.892 64.143 62.300 -0.082 0.000 1.024 499 V CB -0.672 30.985 31.823 -0.276 0.000 0.648 499 V HN 0.396 nan 8.190 nan 0.000 0.447 500 W N -0.190 121.213 121.300 0.171 0.000 2.374 500 W HA -0.083 4.581 4.660 0.006 0.000 0.288 500 W C 2.751 179.492 176.519 0.370 0.000 1.218 500 W CA 1.230 58.720 57.345 0.242 0.000 1.245 500 W CB -0.283 29.305 29.460 0.213 0.000 1.126 500 W HN 0.021 nan 8.180 nan 0.000 0.545 501 R N -0.190 120.654 120.500 0.574 0.000 2.083 501 R HA -0.227 4.117 4.340 0.007 0.000 0.237 501 R C 1.994 178.434 176.300 0.234 0.000 1.137 501 R CA 2.212 58.609 56.100 0.496 0.000 0.951 501 R CB -0.835 29.709 30.300 0.407 0.000 0.851 501 R HN 0.296 nan 8.270 nan 0.000 0.434 502 H N 0.116 119.252 119.070 0.109 0.000 2.319 502 H HA -0.079 4.481 4.556 0.007 0.000 0.299 502 H C 2.195 177.519 175.328 -0.007 0.000 1.092 502 H CA 2.276 58.336 56.048 0.019 0.000 1.302 502 H CB 0.138 29.892 29.762 -0.012 0.000 1.373 502 H HN 0.107 nan 8.280 nan 0.000 0.497 503 R N -0.187 120.409 120.500 0.160 0.000 2.096 503 R HA -0.058 4.286 4.340 0.007 0.000 0.235 503 R C 2.596 178.901 176.300 0.007 0.000 1.127 503 R CA 0.920 57.066 56.100 0.078 0.000 0.968 503 R CB -0.284 30.063 30.300 0.077 0.000 0.861 503 R HN 0.388 nan 8.270 nan 0.000 0.440 504 A N 1.354 124.224 122.820 0.083 0.000 1.940 504 A HA -0.201 4.123 4.320 0.007 0.000 0.219 504 A C 2.055 179.418 177.584 -0.368 0.000 1.176 504 A CA 1.334 53.301 52.037 -0.117 0.000 0.631 504 A CB -0.383 18.617 19.000 0.001 0.000 0.814 504 A HN 0.234 nan 8.150 nan 0.000 0.446 505 R N -0.770 119.559 120.500 -0.285 0.000 2.081 505 R HA -0.104 4.240 4.340 0.007 0.000 0.235 505 R C 2.672 178.807 176.300 -0.275 0.000 1.131 505 R CA 1.508 57.429 56.100 -0.297 0.000 0.960 505 R CB -0.433 29.697 30.300 -0.282 0.000 0.856 505 R HN 0.588 nan 8.270 nan 0.000 0.436 506 S N 0.349 115.899 115.700 -0.250 0.000 2.368 506 S HA -0.092 4.382 4.470 0.007 0.000 0.224 506 S C 2.067 176.543 174.600 -0.206 0.000 1.029 506 S CA 1.173 59.257 58.200 -0.194 0.000 0.988 506 S CB -0.108 63.010 63.200 -0.137 0.000 0.838 506 S HN 0.106 nan 8.310 nan 0.000 0.462 507 V N 2.369 122.119 119.914 -0.273 0.000 2.295 507 V HA -0.143 3.981 4.120 0.007 0.000 0.246 507 V C 2.740 178.586 176.094 -0.414 0.000 1.049 507 V CA 2.253 64.350 62.300 -0.339 0.000 1.024 507 V CB -0.852 30.692 31.823 -0.465 0.000 0.648 507 V HN 0.515 nan 8.190 nan 0.000 0.447 508 R N 0.267 120.440 120.500 -0.545 0.000 2.083 508 R HA -0.202 4.142 4.340 0.007 0.000 0.237 508 R C 2.278 178.465 176.300 -0.188 0.000 1.137 508 R CA 1.911 57.801 56.100 -0.350 0.000 0.951 508 R CB -0.488 29.635 30.300 -0.294 0.000 0.851 508 R HN 0.485 nan 8.270 nan 0.000 0.434 509 A N 0.627 123.339 122.820 -0.181 0.000 1.930 509 A HA -0.130 4.194 4.320 0.007 0.000 0.217 509 A C 2.195 179.723 177.584 -0.093 0.000 1.175 509 A CA 1.326 53.289 52.037 -0.122 0.000 0.627 509 A CB -0.411 18.517 19.000 -0.121 0.000 0.815 509 A HN 0.347 nan 8.150 nan 0.000 0.443 510 R N -0.683 119.756 120.500 -0.101 0.000 2.081 510 R HA -0.023 4.321 4.340 0.007 0.000 0.235 510 R C 2.043 178.323 176.300 -0.033 0.000 1.131 510 R CA 1.492 57.555 56.100 -0.062 0.000 0.960 510 R CB -0.417 29.847 30.300 -0.060 0.000 0.856 510 R HN 0.530 nan 8.270 nan 0.000 0.436 511 L N 0.229 121.427 121.223 -0.041 0.000 2.056 511 L HA -0.185 4.159 4.340 0.007 0.000 0.207 511 L C 2.277 179.146 176.870 -0.002 0.000 1.078 511 L CA 1.097 55.938 54.840 0.002 0.000 0.749 511 L CB -0.310 41.751 42.059 0.004 0.000 0.901 511 L HN 0.236 nan 8.230 nan 0.000 0.433 512 L N -1.098 120.108 121.223 -0.029 0.000 2.056 512 L HA -0.197 4.147 4.340 0.007 0.000 0.207 512 L C 2.710 179.569 176.870 -0.018 0.000 1.078 512 L CA 0.995 55.820 54.840 -0.025 0.000 0.749 512 L CB -0.411 41.621 42.059 -0.046 0.000 0.901 512 L HN 0.183 nan 8.230 nan 0.000 0.433 513 S N -0.553 115.133 115.700 -0.024 0.000 2.407 513 S HA -0.282 4.192 4.470 0.007 0.000 0.235 513 S C 1.827 176.425 174.600 -0.003 0.000 1.036 513 S CA 1.399 59.589 58.200 -0.017 0.000 1.013 513 S CB -0.234 62.953 63.200 -0.020 0.000 0.820 513 S HN 0.501 nan 8.310 nan 0.000 0.476 514 Q N -0.048 119.756 119.800 0.006 0.000 2.389 514 Q HA 0.267 4.611 4.340 0.007 0.000 0.204 514 Q C 1.235 177.247 176.000 0.020 0.000 0.944 514 Q CA 0.292 56.106 55.803 0.018 0.000 0.908 514 Q CB 0.081 28.839 28.738 0.033 0.000 1.002 514 Q HN 0.557 nan 8.270 nan 0.000 0.493 515 G N 0.017 108.827 108.800 0.017 0.000 2.796 515 G HA2 -0.100 3.864 3.960 0.007 0.000 0.226 515 G HA3 -0.100 3.864 3.960 0.007 0.000 0.226 515 G C 0.386 175.302 174.900 0.027 0.000 1.381 515 G CA -0.437 44.673 45.100 0.017 0.000 0.867 515 G HN 0.712 nan 8.290 nan 0.000 0.552 516 G N -0.815 108.000 108.800 0.025 0.000 2.574 516 G HA2 -0.230 3.734 3.960 0.007 0.000 0.282 516 G HA3 -0.230 3.734 3.960 0.007 0.000 0.282 516 G C 1.218 176.140 174.900 0.037 0.000 1.257 516 G CA 1.325 46.442 45.100 0.029 0.000 0.956 516 G HN 1.490 nan 8.290 nan 0.000 0.560 517 R N 0.119 120.645 120.500 0.043 0.000 2.105 517 R HA -0.061 4.283 4.340 0.007 0.000 0.239 517 R C 3.186 179.530 176.300 0.073 0.000 1.135 517 R CA 2.068 58.199 56.100 0.052 0.000 0.967 517 R CB -0.662 29.675 30.300 0.062 0.000 0.861 517 R HN 0.714 nan 8.270 nan 0.000 0.442 518 A N 1.250 124.120 122.820 0.084 0.000 1.902 518 A HA -0.101 4.223 4.320 0.007 0.000 0.217 518 A C 2.384 180.007 177.584 0.065 0.000 1.181 518 A CA 1.662 53.760 52.037 0.101 0.000 0.623 518 A CB -0.517 18.542 19.000 0.099 0.000 0.818 518 A HN 0.391 nan 8.150 nan 0.000 0.443 519 A N -1.138 121.710 122.820 0.046 0.000 1.930 519 A HA -0.055 4.269 4.320 0.007 0.000 0.217 519 A C 2.276 179.883 177.584 0.039 0.000 1.175 519 A CA 2.186 54.241 52.037 0.029 0.000 0.627 519 A CB -1.182 17.830 19.000 0.019 0.000 0.815 519 A HN 0.419 nan 8.150 nan 0.000 0.443 520 T N -0.787 113.800 114.554 0.056 0.000 2.746 520 T HA -0.187 4.167 4.350 0.007 0.000 0.267 520 T C 1.902 176.652 174.700 0.084 0.000 1.039 520 T CA 1.548 63.707 62.100 0.097 0.000 1.142 520 T CB -0.663 68.226 68.868 0.034 0.000 0.866 520 T HN 0.576 nan 8.240 nan 0.000 0.444 521 C N 1.276 120.592 119.300 0.026 0.000 2.413 521 C HA -0.011 4.453 4.460 0.007 0.000 0.276 521 C C 3.089 178.070 174.990 -0.014 0.000 1.236 521 C CA 0.677 59.666 59.018 -0.048 0.000 1.735 521 C CB -1.506 26.187 27.740 -0.078 0.000 2.031 521 C HN 0.736 nan 8.230 nan 0.000 0.474 522 G N 0.105 108.934 108.800 0.048 0.000 2.433 522 G HA2 -0.287 3.677 3.960 0.007 0.000 0.216 522 G HA3 -0.287 3.677 3.960 0.007 0.000 0.216 522 G C 1.602 176.536 174.900 0.056 0.000 1.186 522 G CA 1.233 46.399 45.100 0.110 0.000 0.779 522 G HN 0.658 nan 8.290 nan 0.000 0.543 523 K N -0.722 119.664 120.400 -0.024 0.000 2.009 523 K HA -0.134 4.190 4.320 0.007 0.000 0.210 523 K C 2.275 178.706 176.600 -0.282 0.000 1.049 523 K CA 1.445 57.642 56.287 -0.151 0.000 0.929 523 K CB -0.369 32.025 32.500 -0.176 0.000 0.714 523 K HN 0.394 nan 8.250 nan 0.000 0.440 524 Y N 0.978 121.097 120.300 -0.302 0.000 2.206 524 Y HA -0.043 4.511 4.550 0.007 0.000 0.292 524 Y C 2.136 177.759 175.900 -0.462 0.000 1.123 524 Y CA 1.019 58.761 58.100 -0.597 0.000 1.142 524 Y CB -0.109 37.700 38.460 -1.084 0.000 1.006 524 Y HN -0.019 nan 8.280 nan 0.000 0.518 525 L N -1.858 119.228 121.223 -0.228 0.000 2.141 525 L HA -0.135 4.209 4.340 0.007 0.000 0.209 525 L C 0.683 177.270 176.870 -0.473 0.000 1.094 525 L CA 1.334 55.966 54.840 -0.346 0.000 0.763 525 L CB -0.358 41.270 42.059 -0.719 0.000 0.908 525 L HN 0.196 nan 8.230 nan 0.000 0.437 526 F N -1.667 118.243 119.950 -0.067 0.000 2.764 526 F HA 0.198 4.729 4.527 0.006 0.000 0.310 526 F C 1.665 177.170 175.800 -0.491 0.000 1.124 526 F CA -0.367 57.388 58.000 -0.407 0.000 1.252 526 F CB -0.722 38.046 39.000 -0.386 0.000 1.010 526 F HN -0.012 nan 8.300 nan 0.000 0.518 527 N N 1.138 119.764 118.700 -0.122 0.000 2.205 527 N HA -0.194 4.550 4.740 0.007 0.000 0.186 527 N C 2.015 177.501 175.510 -0.039 0.000 1.015 527 N CA 1.580 54.574 53.050 -0.093 0.000 0.862 527 N CB -0.136 38.316 38.487 -0.058 0.000 0.986 527 N HN 0.593 nan 8.380 nan 0.000 0.429 528 W N 0.372 121.716 121.300 0.073 0.000 2.387 528 W HA -0.039 4.625 4.660 0.006 0.000 0.272 528 W C 1.374 177.952 176.519 0.100 0.000 1.224 528 W CA 0.727 58.127 57.345 0.090 0.000 1.210 528 W CB -0.600 28.922 29.460 0.104 0.000 1.125 528 W HN -0.001 nan 8.180 nan 0.000 0.572 529 A N 1.255 123.710 122.820 -0.608 0.000 2.132 529 A HA 0.243 4.567 4.320 0.007 0.000 0.213 529 A C 0.976 178.413 177.584 -0.244 0.000 1.154 529 A CA 1.016 52.655 52.037 -0.664 0.000 0.753 529 A CB -0.682 17.654 19.000 -1.108 0.000 0.826 529 A HN 0.145 nan 8.150 nan 0.000 0.469 530 V N -2.456 117.354 119.914 -0.172 0.000 2.769 530 V HA 0.444 4.569 4.120 0.007 0.000 0.312 530 V C 0.897 176.962 176.094 -0.047 0.000 1.058 530 V CA -0.426 61.811 62.300 -0.105 0.000 0.952 530 V CB 1.701 33.452 31.823 -0.121 0.000 1.019 530 V HN 0.463 nan 8.190 nan 0.000 0.445 531 K N 1.423 121.801 120.400 -0.036 0.000 2.031 531 K HA -0.014 4.310 4.320 0.007 0.000 0.205 531 K C 0.985 177.567 176.600 -0.030 0.000 1.049 531 K CA 1.439 57.713 56.287 -0.021 0.000 0.939 531 K CB -0.441 32.049 32.500 -0.016 0.000 0.717 531 K HN 0.839 nan 8.250 nan 0.000 0.438 532 T N 0.984 115.513 114.554 -0.040 0.000 2.747 532 T HA 0.336 4.690 4.350 0.007 0.000 0.301 532 T C -0.678 173.991 174.700 -0.052 0.000 0.952 532 T CA -0.817 61.258 62.100 -0.042 0.000 0.983 532 T CB 0.869 69.712 68.868 -0.040 0.000 0.930 532 T HN 0.002 nan 8.240 nan 0.000 0.494 533 K N 3.539 123.909 120.400 -0.049 0.000 2.205 533 K HA 0.513 4.837 4.320 0.007 0.000 0.279 533 K C -0.057 176.500 176.600 -0.072 0.000 1.027 533 K CA -0.734 55.519 56.287 -0.058 0.000 0.932 533 K CB 0.667 33.143 32.500 -0.041 0.000 1.032 533 K HN 0.456 nan 8.250 nan 0.000 0.466 534 L N 2.314 123.477 121.223 -0.099 0.000 2.476 534 L HA 0.168 4.512 4.340 0.007 0.000 0.264 534 L C 0.477 177.269 176.870 -0.130 0.000 1.224 534 L CA 0.451 55.218 54.840 -0.121 0.000 0.821 534 L CB 0.238 42.197 42.059 -0.167 0.000 1.101 534 L HN 0.482 nan 8.230 nan 0.000 0.488 535 K N 1.886 122.212 120.400 -0.123 0.000 2.262 535 K HA 0.313 4.637 4.320 0.007 0.000 0.282 535 K C -1.371 175.132 176.600 -0.162 0.000 1.066 535 K CA -0.721 55.504 56.287 -0.102 0.000 0.901 535 K CB 0.467 32.932 32.500 -0.058 0.000 1.089 535 K HN 0.234 nan 8.250 nan 0.000 0.476 536 L N 5.049 126.180 121.223 -0.154 0.000 2.270 536 L HA 0.232 4.576 4.340 0.007 0.000 0.286 536 L C 0.436 177.349 176.870 0.071 0.000 1.059 536 L CA -0.100 54.617 54.840 -0.204 0.000 0.839 536 L CB 0.538 42.484 42.059 -0.189 0.000 1.221 536 L HN 0.714 nan 8.230 nan 0.000 0.431 537 T N 1.365 116.010 114.554 0.153 0.000 2.948 537 T HA 0.745 5.100 4.350 0.007 0.000 0.285 537 T C -2.652 172.183 174.700 0.224 0.000 1.019 537 T CA -2.348 59.848 62.100 0.160 0.000 1.013 537 T CB 1.483 70.412 68.868 0.102 0.000 1.117 537 T HN 0.192 nan 8.240 nan 0.000 0.533 538 P HA 0.274 nan 4.420 nan 0.000 0.267 538 P C -0.552 176.768 177.300 0.033 0.000 1.205 538 P CA -0.243 62.908 63.100 0.084 0.000 0.765 538 P CB 0.026 31.757 31.700 0.052 0.000 0.828 539 I N 6.390 126.925 120.570 -0.059 0.000 2.452 539 I HA 0.073 4.247 4.170 0.007 0.000 0.287 539 I C -1.124 174.953 176.117 -0.066 0.000 1.079 539 I CA -1.570 59.654 61.300 -0.126 0.000 1.387 539 I CB 0.668 38.494 38.000 -0.291 0.000 1.404 539 I HN 0.335 nan 8.210 nan 0.000 0.522 540 P HA -0.290 nan 4.420 nan 0.000 0.215 540 P C 1.489 178.766 177.300 -0.039 0.000 1.163 540 P CA 1.607 64.691 63.100 -0.028 0.000 0.894 540 P CB 0.170 31.860 31.700 -0.017 0.000 0.791 541 A N -0.401 122.390 122.820 -0.048 0.000 2.024 541 A HA -0.137 4.187 4.320 0.007 0.000 0.220 541 A C 2.302 179.848 177.584 -0.063 0.000 1.164 541 A CA 1.992 53.999 52.037 -0.050 0.000 0.643 541 A CB -1.530 17.441 19.000 -0.049 0.000 0.806 541 A HN 0.214 nan 8.150 nan 0.000 0.451 542 A N 0.522 123.298 122.820 -0.073 0.000 1.917 542 A HA -0.169 4.155 4.320 0.007 0.000 0.219 542 A C 2.423 179.964 177.584 -0.072 0.000 1.182 542 A CA 2.419 54.410 52.037 -0.077 0.000 0.633 542 A CB -0.970 17.989 19.000 -0.068 0.000 0.819 542 A HN 1.069 nan 8.150 nan 0.000 0.448 543 S N -0.809 114.858 115.700 -0.054 0.000 2.561 543 S HA 0.009 4.483 4.470 0.007 0.000 0.225 543 S C 1.651 176.222 174.600 -0.048 0.000 0.977 543 S CA 0.648 58.819 58.200 -0.047 0.000 0.926 543 S CB -0.198 62.984 63.200 -0.031 0.000 0.769 543 S HN 0.659 nan 8.310 nan 0.000 0.533 544 R N 0.328 120.798 120.500 -0.051 0.000 2.173 544 R HA 0.348 4.692 4.340 0.007 0.000 0.208 544 R C 0.467 176.728 176.300 -0.066 0.000 1.035 544 R CA -0.144 55.927 56.100 -0.048 0.000 1.004 544 R CB -0.327 29.951 30.300 -0.037 0.000 0.917 544 R HN 0.332 nan 8.270 nan 0.000 0.462 545 L N 3.194 124.364 121.223 -0.089 0.000 2.678 545 L HA -0.122 4.222 4.340 0.007 0.000 0.285 545 L C -0.108 176.676 176.870 -0.143 0.000 1.233 545 L CA 0.353 55.115 54.840 -0.130 0.000 0.920 545 L CB 0.112 42.059 42.059 -0.186 0.000 1.176 545 L HN 0.082 nan 8.230 nan 0.000 0.495 546 D N 5.094 125.416 120.400 -0.131 0.000 2.422 546 D HA 0.147 4.791 4.640 0.007 0.000 0.227 546 D C 0.103 176.280 176.300 -0.205 0.000 1.190 546 D CA -0.298 53.632 54.000 -0.117 0.000 0.905 546 D CB 0.771 41.539 40.800 -0.054 0.000 1.034 546 D HN 0.211 nan 8.370 nan 0.000 0.507 547 L N 3.067 124.121 121.223 -0.283 0.000 2.912 547 L HA 0.164 4.508 4.340 0.007 0.000 0.240 547 L C 0.571 177.355 176.870 -0.143 0.000 1.262 547 L CA -0.201 54.337 54.840 -0.503 0.000 1.058 547 L CB -0.741 40.939 42.059 -0.632 0.000 1.383 547 L HN 0.292 nan 8.230 nan 0.000 0.512 548 S N -1.611 114.073 115.700 -0.025 0.000 2.565 548 S HA 0.577 5.051 4.470 0.007 0.000 0.276 548 S C 1.307 175.962 174.600 0.092 0.000 1.326 548 S CA 0.200 58.422 58.200 0.036 0.000 1.045 548 S CB 1.479 64.683 63.200 0.008 0.000 0.918 548 S HN 0.633 nan 8.310 nan 0.000 0.505 549 G N 1.803 110.612 108.800 0.015 0.000 2.317 549 G HA2 -0.229 3.735 3.960 0.007 0.000 0.227 549 G HA3 -0.229 3.735 3.960 0.007 0.000 0.227 549 G C -0.292 174.624 174.900 0.026 0.000 1.042 549 G CA -0.083 44.897 45.100 -0.199 0.000 0.623 549 G HN 0.719 nan 8.290 nan 0.000 0.509 550 W N 1.093 122.270 121.300 -0.206 0.000 2.287 550 W HA 0.679 5.344 4.660 0.008 0.000 0.313 550 W C 0.657 176.976 176.519 -0.334 0.000 1.267 550 W CA -0.028 57.009 57.345 -0.513 0.000 1.201 550 W CB -0.490 28.462 29.460 -0.846 0.000 1.196 550 W HN 0.393 nan 8.180 nan 0.000 0.536 551 F N 0.939 121.024 119.950 0.226 0.000 3.071 551 F HA -0.292 4.239 4.527 0.007 0.000 0.295 551 F C 0.683 176.590 175.800 0.179 0.000 0.919 551 F CA 0.188 58.322 58.000 0.223 0.000 1.050 551 F CB -1.998 37.095 39.000 0.156 0.000 1.040 551 F HN 0.166 nan 8.300 nan 0.000 0.692 552 V N -1.562 118.523 119.914 0.286 0.000 2.490 552 V HA 0.591 4.715 4.120 0.007 0.000 0.238 552 V C 1.432 177.649 176.094 0.205 0.000 1.056 552 V CA 1.280 63.702 62.300 0.204 0.000 1.075 552 V CB 0.290 32.211 31.823 0.163 0.000 0.746 552 V HN 0.632 nan 8.190 nan 0.000 0.479 553 A N -0.945 121.957 122.820 0.138 0.000 2.567 553 A HA 0.800 5.124 4.320 0.007 0.000 0.289 553 A C -0.203 177.097 177.584 -0.472 0.000 1.177 553 A CA 0.056 52.056 52.037 -0.063 0.000 0.694 553 A CB 0.936 19.763 19.000 -0.288 0.000 1.292 553 A HN 0.408 nan 8.150 nan 0.000 0.425 554 G N -1.758 106.500 108.800 -0.903 0.000 2.412 554 G HA2 0.553 4.517 3.960 0.007 0.000 0.318 554 G HA3 0.553 4.517 3.960 0.007 0.000 0.318 554 G C -1.080 173.187 174.900 -1.054 0.000 1.146 554 G CA -0.114 44.096 45.100 -1.483 0.000 0.882 554 G HN 0.597 nan 8.290 nan 0.000 0.501 555 Y N 0.375 120.461 120.300 -0.357 0.000 2.810 555 Y HA 0.289 4.843 4.550 0.007 0.000 0.244 555 Y C 1.119 176.941 175.900 -0.130 0.000 1.092 555 Y CA -0.863 57.133 58.100 -0.172 0.000 1.130 555 Y CB 0.440 38.832 38.460 -0.114 0.000 1.219 555 Y HN 0.509 nan 8.280 nan 0.000 0.616 556 S N 0.902 116.574 115.700 -0.045 0.000 2.546 556 S HA 0.329 4.803 4.470 0.007 0.000 0.290 556 S C 1.426 176.050 174.600 0.040 0.000 1.262 556 S CA 1.530 59.734 58.200 0.006 0.000 1.083 556 S CB 0.033 63.242 63.200 0.014 0.000 0.859 556 S HN 1.136 nan 8.310 nan 0.000 0.495 557 G N 3.475 112.299 108.800 0.041 0.000 2.179 557 G HA2 -0.216 3.748 3.960 0.007 0.000 0.260 557 G HA3 -0.216 3.748 3.960 0.007 0.000 0.260 557 G C 0.761 175.692 174.900 0.052 0.000 0.977 557 G CA 0.353 45.485 45.100 0.052 0.000 0.641 557 G HN 1.344 nan 8.290 nan 0.000 0.533 558 G N -0.346 108.484 108.800 0.051 0.000 3.088 558 G HA2 0.405 4.369 3.960 0.007 0.000 0.217 558 G HA3 0.405 4.369 3.960 0.007 0.000 0.217 558 G C 0.445 175.350 174.900 0.008 0.000 1.159 558 G CA 1.114 46.256 45.100 0.069 0.000 0.760 558 G HN 1.164 nan 8.290 nan 0.000 0.550 559 D N -0.338 120.034 120.400 -0.046 0.000 2.716 559 D HA -0.157 4.487 4.640 0.007 0.000 0.239 559 D C -0.090 176.121 176.300 -0.149 0.000 1.125 559 D CA 0.339 54.282 54.000 -0.094 0.000 0.681 559 D CB -1.202 39.557 40.800 -0.068 0.000 1.070 559 D HN 0.117 nan 8.370 nan 0.000 0.432 560 I N 1.114 121.547 120.570 -0.228 0.000 2.441 560 I HA 0.435 4.609 4.170 0.007 0.000 0.295 560 I C -0.121 175.720 176.117 -0.461 0.000 0.994 560 I CA -0.761 60.289 61.300 -0.416 0.000 1.144 560 I CB 1.399 38.979 38.000 -0.700 0.000 1.314 560 I HN 0.116 nan 8.210 nan 0.000 0.445 561 Y N 5.348 125.252 120.300 -0.661 0.000 2.386 561 Y HA 0.481 5.036 4.550 0.008 0.000 0.334 561 Y C -0.715 174.806 175.900 -0.632 0.000 1.002 561 Y CA -0.442 57.293 58.100 -0.608 0.000 1.068 561 Y CB 1.336 39.586 38.460 -0.350 0.000 1.203 561 Y HN 0.650 nan 8.280 nan 0.000 0.443 562 H N 0.000 118.484 119.070 -0.977 0.000 2.539 562 H HA 0.000 4.561 4.556 0.008 0.000 0.296 562 H CA 0.000 55.627 56.048 -0.701 0.000 1.023 562 H CB 0.000 29.416 29.762 -0.577 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496