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 1bvy_1_A DATA FIRST_RESID 20 DATA SEQUENCE LNTDKPVQAL MKIADELGEI FKFEAPGRVT RYLSSQRLIK EACDESRFDK DATA SEQUENCE NLSQALKFVR DFAGDGLFTS WTHEKNWKKA HNILLPSFSQ QAMKGYHAMM DATA SEQUENCE VDIAVQLVQK WERLNADEHI EVPEDMTRLT LDTIGLCGFN YRFNSFYRDQ DATA SEQUENCE PHPFITSMVR ALDEAMNKLQ RANPDDPAYD ENKRQFQEDI KVMNDLVDKI DATA SEQUENCE IADRKASGEQ SDDLLTHMLN GKDPETGEPL DDENIRYQII TFLIAGHETT DATA SEQUENCE SGLLSFALYF LVKNPHVLQK AAEEAARVLV DPVPSYKQVK QLKYVGMVLN DATA SEQUENCE EALRLWPTAP AFSLYAKEDT VLGGEYPLEK GDELMVLIPQ LHRDKTIWGD DATA SEQUENCE DVEEFRPERF ENPSAIPQHA FKPFGNGQRA CIGQQFALHE ATLVLGMMLK DATA SEQUENCE HFDFEDHTNY ELDIKETLTL KPEGFVVKAK SKKIPLGGI 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 20 L HA 0.000 nan 4.340 nan 0.000 0.249 20 L C 0.000 176.889 176.870 0.032 0.000 1.165 20 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 20 L CB 0.000 42.063 42.059 0.007 0.000 0.961 21 N N 0.675 119.385 118.700 0.018 0.000 2.498 21 N HA 0.821 5.561 4.740 -0.000 0.000 0.287 21 N C 0.114 175.637 175.510 0.020 0.000 1.097 21 N CA -0.314 52.750 53.050 0.024 0.000 0.973 21 N CB 2.084 40.580 38.487 0.016 0.000 1.153 21 N HN 0.157 nan 8.380 nan 0.000 0.472 22 T N -0.896 113.673 114.554 0.024 0.000 3.247 22 T HA 0.066 4.415 4.350 -0.000 0.000 0.395 22 T C -1.249 173.463 174.700 0.021 0.000 1.772 22 T CA -0.620 61.491 62.100 0.019 0.000 1.117 22 T CB 0.397 69.276 68.868 0.018 0.000 1.626 22 T HN 0.289 nan 8.240 nan 0.000 0.481 23 D N 2.454 122.861 120.400 0.012 0.000 2.336 23 D HA 0.234 4.874 4.640 -0.000 0.000 0.229 23 D C 0.320 176.625 176.300 0.009 0.000 1.061 23 D CA 0.589 54.596 54.000 0.011 0.000 0.875 23 D CB 0.305 41.106 40.800 0.003 0.000 0.904 23 D HN 0.404 nan 8.370 nan 0.000 0.525 24 K N 0.059 120.465 120.400 0.010 0.000 3.098 24 K HA 0.180 4.500 4.320 -0.000 0.000 0.170 24 K C -2.139 174.473 176.600 0.021 0.000 1.106 24 K CA -1.177 55.114 56.287 0.007 0.000 0.864 24 K CB 2.275 34.767 32.500 -0.013 0.000 1.047 24 K HN -0.165 nan 8.250 nan 0.000 0.609 25 P HA -0.141 nan 4.420 nan 0.000 0.215 25 P C 1.417 178.734 177.300 0.029 0.000 1.157 25 P CA 0.660 63.782 63.100 0.037 0.000 0.863 25 P CB 0.320 32.050 31.700 0.049 0.000 0.787 26 V N 0.018 119.957 119.914 0.042 0.000 2.287 26 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 26 V C 2.591 178.729 176.094 0.073 0.000 1.053 26 V CA 1.949 64.282 62.300 0.055 0.000 1.027 26 V CB -1.415 30.455 31.823 0.079 0.000 0.646 26 V HN 0.144 nan 8.190 nan 0.000 0.447 27 Q N -0.299 119.549 119.800 0.079 0.000 2.096 27 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 27 Q C 2.405 178.441 176.000 0.061 0.000 0.982 27 Q CA 1.827 57.688 55.803 0.097 0.000 0.850 27 Q CB -0.454 28.317 28.738 0.055 0.000 0.901 27 Q HN 0.688 nan 8.270 nan 0.000 0.422 28 A N 0.682 123.523 122.820 0.035 0.000 1.933 28 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 28 A C 2.027 179.615 177.584 0.005 0.000 1.175 28 A CA 1.181 53.230 52.037 0.020 0.000 0.628 28 A CB -0.599 18.416 19.000 0.026 0.000 0.814 28 A HN 0.299 nan 8.150 nan 0.000 0.444 29 L N -1.326 119.897 121.223 0.002 0.000 2.156 29 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 29 L C 2.754 179.662 176.870 0.063 0.000 1.095 29 L CA 1.100 55.941 54.840 0.002 0.000 0.770 29 L CB -0.432 41.579 42.059 -0.080 0.000 0.914 29 L HN 0.396 nan 8.230 nan 0.000 0.439 30 M N -0.786 118.850 119.600 0.060 0.000 2.117 30 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 30 M C 2.201 178.523 176.300 0.036 0.000 1.065 30 M CA 1.446 56.784 55.300 0.063 0.000 1.114 30 M CB -0.288 32.358 32.600 0.076 0.000 1.361 30 M HN -0.020 nan 8.290 nan 0.000 0.408 31 K N 0.922 121.333 120.400 0.018 0.000 2.044 31 K HA -0.073 4.247 4.320 -0.000 0.000 0.210 31 K C 1.714 178.276 176.600 -0.063 0.000 1.049 31 K CA 1.581 57.863 56.287 -0.009 0.000 0.927 31 K CB -0.942 31.552 32.500 -0.010 0.000 0.713 31 K HN 0.410 nan 8.250 nan 0.000 0.443 32 I N 0.541 121.031 120.570 -0.133 0.000 2.179 32 I HA -0.255 3.915 4.170 -0.000 0.000 0.242 32 I C 2.266 178.198 176.117 -0.308 0.000 1.088 32 I CA 1.231 62.336 61.300 -0.325 0.000 1.357 32 I CB -0.450 37.180 38.000 -0.618 0.000 1.051 32 I HN 0.044 nan 8.210 nan 0.000 0.409 33 A N 0.499 123.275 122.820 -0.074 0.000 1.978 33 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 33 A C 1.912 179.529 177.584 0.055 0.000 1.170 33 A CA 2.036 54.163 52.037 0.151 0.000 0.636 33 A CB -0.581 18.553 19.000 0.223 0.000 0.810 33 A HN 0.395 nan 8.150 nan 0.000 0.448 34 D N -0.607 119.800 120.400 0.012 0.000 2.269 34 D HA -0.081 4.559 4.640 -0.000 0.000 0.208 34 D C 1.735 178.033 176.300 -0.004 0.000 0.963 34 D CA 0.899 54.905 54.000 0.010 0.000 0.864 34 D CB -0.025 40.779 40.800 0.007 0.000 0.936 34 D HN 0.476 nan 8.370 nan 0.000 0.505 35 E N 0.233 120.411 120.200 -0.037 0.000 2.079 35 E HA 0.079 4.429 4.350 -0.000 0.000 0.191 35 E C 2.371 178.954 176.600 -0.027 0.000 0.961 35 E CA 0.263 56.638 56.400 -0.042 0.000 0.823 35 E CB -0.001 29.653 29.700 -0.077 0.000 0.789 35 E HN 0.301 nan 8.360 nan 0.000 0.459 36 L N -0.339 120.856 121.223 -0.047 0.000 2.477 36 L HA 0.250 4.590 4.340 -0.000 0.000 0.220 36 L C 1.285 178.208 176.870 0.089 0.000 1.106 36 L CA 0.391 55.238 54.840 0.013 0.000 0.851 36 L CB -0.203 41.842 42.059 -0.024 0.000 0.994 36 L HN 0.155 nan 8.230 nan 0.000 0.462 37 G N 1.702 110.563 108.800 0.103 0.000 2.512 37 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.210 37 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.210 37 G C 0.474 175.454 174.900 0.134 0.000 1.295 37 G CA 0.072 45.235 45.100 0.106 0.000 0.934 37 G HN 0.425 nan 8.290 nan 0.000 0.554 38 E N -0.502 119.745 120.200 0.078 0.000 2.409 38 E HA 0.200 4.550 4.350 -0.000 0.000 0.198 38 E C 1.178 177.749 176.600 -0.049 0.000 1.024 38 E CA 1.312 57.728 56.400 0.026 0.000 0.861 38 E CB 0.661 30.377 29.700 0.026 0.000 0.788 38 E HN 0.915 nan 8.360 nan 0.000 0.521 39 I N 0.129 120.678 120.570 -0.035 0.000 2.753 39 I HA 0.378 4.548 4.170 -0.000 0.000 0.291 39 I C -1.843 174.267 176.117 -0.010 0.000 1.425 39 I CA -1.206 59.983 61.300 -0.186 0.000 1.039 39 I CB 1.466 39.222 38.000 -0.406 0.000 1.349 39 I HN 0.077 nan 8.210 nan 0.000 0.430 40 F N 5.342 125.256 119.950 -0.060 0.000 2.686 40 F HA 0.684 5.211 4.527 -0.000 0.000 0.311 40 F C -1.671 174.191 175.800 0.104 0.000 1.128 40 F CA -0.924 57.087 58.000 0.019 0.000 0.946 40 F CB 1.319 40.350 39.000 0.052 0.000 1.336 40 F HN 0.414 nan 8.300 nan 0.000 0.457 41 K N 1.797 122.441 120.400 0.408 0.000 2.427 41 K HA 0.638 4.958 4.320 -0.000 0.000 0.252 41 K C -2.318 174.663 176.600 0.634 0.000 0.931 41 K CA -0.507 55.987 56.287 0.345 0.000 0.793 41 K CB 1.710 34.306 32.500 0.160 0.000 1.211 41 K HN 0.552 nan 8.250 nan 0.000 0.426 42 F N 1.674 121.796 119.950 0.286 0.000 2.458 42 F HA 0.470 4.997 4.527 -0.000 0.000 0.330 42 F C 0.037 175.915 175.800 0.130 0.000 1.082 42 F CA -0.943 57.183 58.000 0.209 0.000 0.995 42 F CB 1.776 40.923 39.000 0.245 0.000 1.170 42 F HN 0.536 nan 8.300 nan 0.000 0.478 43 E N 1.005 121.350 120.200 0.242 0.000 2.256 43 E HA 0.698 5.048 4.350 -0.000 0.000 0.268 43 E C -1.164 175.494 176.600 0.097 0.000 0.877 43 E CA -0.916 55.569 56.400 0.142 0.000 0.757 43 E CB 2.736 32.493 29.700 0.095 0.000 1.183 43 E HN 0.635 nan 8.360 nan 0.000 0.418 44 A N 3.136 126.007 122.820 0.086 0.000 2.313 44 A HA 0.605 4.925 4.320 -0.000 0.000 0.323 44 A C -1.901 175.707 177.584 0.041 0.000 1.133 44 A CA -1.422 50.651 52.037 0.060 0.000 0.847 44 A CB 0.383 19.423 19.000 0.067 0.000 1.308 44 A HN 0.388 nan 8.150 nan 0.000 0.475 45 P HA -0.177 nan 4.420 nan 0.000 0.219 45 P C 1.021 178.332 177.300 0.019 0.000 1.161 45 P CA 2.475 65.588 63.100 0.021 0.000 0.909 45 P CB 0.212 31.922 31.700 0.017 0.000 0.793 46 G N -2.362 106.449 108.800 0.019 0.000 3.863 46 G HA2 0.207 4.167 3.960 -0.000 0.000 0.290 46 G HA3 0.207 4.167 3.960 -0.000 0.000 0.290 46 G C 0.008 174.917 174.900 0.014 0.000 1.018 46 G CA -0.233 44.874 45.100 0.013 0.000 0.824 46 G HN 0.167 nan 8.290 nan 0.000 0.507 47 R N -0.245 120.271 120.500 0.026 0.000 2.628 47 R HA 0.599 4.939 4.340 -0.000 0.000 0.288 47 R C -1.566 174.760 176.300 0.044 0.000 0.980 47 R CA -0.684 55.432 56.100 0.028 0.000 0.891 47 R CB 2.992 33.310 30.300 0.029 0.000 1.188 47 R HN -0.027 nan 8.270 nan 0.000 0.450 48 V N 1.822 121.753 119.914 0.029 0.000 2.407 48 V HA 0.413 4.533 4.120 -0.000 0.000 0.291 48 V C -0.464 175.623 176.094 -0.012 0.000 1.018 48 V CA -0.690 61.630 62.300 0.035 0.000 0.842 48 V CB 1.758 33.600 31.823 0.031 0.000 0.996 48 V HN 0.778 nan 8.190 nan 0.000 0.426 49 T N 5.258 119.801 114.554 -0.018 0.000 2.812 49 T HA 0.562 4.911 4.350 -0.000 0.000 0.282 49 T C -0.200 174.335 174.700 -0.275 0.000 0.990 49 T CA -0.621 61.354 62.100 -0.208 0.000 0.960 49 T CB 1.276 69.971 68.868 -0.289 0.000 0.948 49 T HN 0.557 nan 8.240 nan 0.000 0.438 50 R N 1.966 122.221 120.500 -0.407 0.000 2.346 50 R HA 0.502 4.842 4.340 -0.000 0.000 0.311 50 R C -1.214 174.678 176.300 -0.681 0.000 0.983 50 R CA -0.683 55.175 56.100 -0.402 0.000 0.880 50 R CB 1.060 31.187 30.300 -0.288 0.000 1.100 50 R HN 0.551 nan 8.270 nan 0.000 0.453 51 Y N 3.165 123.037 120.300 -0.714 0.000 2.335 51 Y HA 0.360 4.910 4.550 -0.000 0.000 0.338 51 Y C -0.041 175.452 175.900 -0.678 0.000 0.977 51 Y CA -0.820 56.808 58.100 -0.786 0.000 1.114 51 Y CB 1.113 38.893 38.460 -1.133 0.000 1.182 51 Y HN 0.238 nan 8.280 nan 0.000 0.463 52 L N 2.321 123.329 121.223 -0.359 0.000 2.295 52 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 52 L C 0.462 177.216 176.870 -0.194 0.000 1.035 52 L CA -0.220 54.454 54.840 -0.276 0.000 0.806 52 L CB 1.646 43.530 42.059 -0.292 0.000 1.214 52 L HN 0.682 nan 8.230 nan 0.000 0.426 53 S N -0.546 115.085 115.700 -0.115 0.000 2.628 53 S HA 0.059 4.529 4.470 -0.000 0.000 0.246 53 S C 0.448 175.043 174.600 -0.008 0.000 1.062 53 S CA -0.294 57.878 58.200 -0.048 0.000 1.028 53 S CB 0.733 63.941 63.200 0.013 0.000 0.985 53 S HN 0.767 nan 8.310 nan 0.000 0.551 54 S N 1.329 117.022 115.700 -0.012 0.000 2.578 54 S HA 0.377 4.847 4.470 -0.000 0.000 0.283 54 S C 0.778 175.395 174.600 0.028 0.000 1.195 54 S CA -0.541 57.674 58.200 0.025 0.000 1.050 54 S CB 1.390 64.606 63.200 0.026 0.000 1.012 54 S HN 0.144 nan 8.310 nan 0.000 0.511 55 Q N 2.031 121.873 119.800 0.070 0.000 2.197 55 Q HA -0.228 4.112 4.340 -0.000 0.000 0.207 55 Q C 2.136 178.159 176.000 0.038 0.000 0.984 55 Q CA 2.029 57.881 55.803 0.081 0.000 0.869 55 Q CB -0.187 28.610 28.738 0.098 0.000 0.906 55 Q HN 0.948 nan 8.270 nan 0.000 0.426 56 R N -0.678 119.837 120.500 0.025 0.000 2.090 56 R HA -0.039 4.301 4.340 -0.000 0.000 0.228 56 R C 2.389 178.680 176.300 -0.015 0.000 1.110 56 R CA 1.018 57.126 56.100 0.013 0.000 0.973 56 R CB -0.567 29.747 30.300 0.024 0.000 0.869 56 R HN 0.223 nan 8.270 nan 0.000 0.440 57 L N 0.718 121.923 121.223 -0.030 0.000 2.131 57 L HA 0.005 4.345 4.340 -0.000 0.000 0.206 57 L C 2.557 179.340 176.870 -0.145 0.000 1.087 57 L CA 0.876 55.673 54.840 -0.072 0.000 0.767 57 L CB -0.246 41.764 42.059 -0.083 0.000 0.917 57 L HN 0.154 nan 8.230 nan 0.000 0.441 58 I N 0.196 120.686 120.570 -0.133 0.000 2.179 58 I HA -0.340 3.830 4.170 -0.000 0.000 0.242 58 I C 2.662 178.665 176.117 -0.190 0.000 1.088 58 I CA 1.300 62.501 61.300 -0.164 0.000 1.357 58 I CB -0.291 37.651 38.000 -0.098 0.000 1.051 58 I HN 0.245 nan 8.210 nan 0.000 0.409 59 K N 1.331 121.623 120.400 -0.180 0.000 2.034 59 K HA -0.315 4.005 4.320 -0.000 0.000 0.214 59 K C 2.086 178.520 176.600 -0.276 0.000 1.051 59 K CA 2.274 58.348 56.287 -0.354 0.000 0.931 59 K CB -0.220 32.205 32.500 -0.126 0.000 0.715 59 K HN 0.290 nan 8.250 nan 0.000 0.446 60 E N -0.482 119.637 120.200 -0.136 0.000 2.077 60 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 60 E C 1.766 178.320 176.600 -0.077 0.000 0.989 60 E CA 1.085 57.453 56.400 -0.053 0.000 0.800 60 E CB -0.175 29.521 29.700 -0.006 0.000 0.746 60 E HN 0.504 nan 8.360 nan 0.000 0.452 61 A N -0.063 122.569 122.820 -0.313 0.000 2.067 61 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 61 A C 1.986 179.435 177.584 -0.225 0.000 1.158 61 A CA 0.908 52.546 52.037 -0.665 0.000 0.661 61 A CB -0.366 18.217 19.000 -0.694 0.000 0.801 61 A HN 0.443 nan 8.150 nan 0.000 0.452 62 C N 0.908 120.138 119.300 -0.116 0.000 2.524 62 C HA 0.137 4.597 4.460 -0.000 0.000 0.301 62 C C 0.594 175.629 174.990 0.074 0.000 1.296 62 C CA -0.649 58.372 59.018 0.006 0.000 1.683 62 C CB -1.768 25.942 27.740 -0.050 0.000 1.764 62 C HN 0.533 nan 8.230 nan 0.000 0.597 63 D N 1.127 121.612 120.400 0.142 0.000 2.352 63 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 63 D C 1.113 177.499 176.300 0.143 0.000 1.224 63 D CA 0.203 54.291 54.000 0.147 0.000 0.879 63 D CB 0.468 41.354 40.800 0.144 0.000 1.057 63 D HN 0.437 nan 8.370 nan 0.000 0.491 64 E N 1.420 121.670 120.200 0.084 0.000 2.204 64 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 64 E C 1.572 178.158 176.600 -0.024 0.000 0.990 64 E CA 0.914 57.336 56.400 0.036 0.000 0.821 64 E CB 0.159 29.883 29.700 0.041 0.000 0.750 64 E HN 0.552 nan 8.360 nan 0.000 0.477 65 S N 0.091 115.775 115.700 -0.028 0.000 2.522 65 S HA 0.037 4.506 4.470 -0.000 0.000 0.227 65 S C 1.710 176.213 174.600 -0.161 0.000 0.986 65 S CA 0.219 58.377 58.200 -0.069 0.000 0.929 65 S CB 0.175 63.350 63.200 -0.042 0.000 0.769 65 S HN 0.142 nan 8.310 nan 0.000 0.529 66 R N -1.044 119.317 120.500 -0.232 0.000 2.287 66 R HA 0.423 4.763 4.340 -0.000 0.000 0.197 66 R C -0.837 174.886 176.300 -0.961 0.000 0.900 66 R CA 0.278 56.027 56.100 -0.584 0.000 1.052 66 R CB 0.472 30.387 30.300 -0.642 0.000 1.117 66 R HN 0.377 nan 8.270 nan 0.000 0.568 67 F N -0.123 119.733 119.950 -0.157 0.000 2.588 67 F HA 0.382 4.909 4.527 -0.000 0.000 0.310 67 F C -0.328 175.288 175.800 -0.306 0.000 1.082 67 F CA -1.283 56.568 58.000 -0.247 0.000 0.929 67 F CB 1.887 40.792 39.000 -0.157 0.000 1.254 67 F HN -0.249 nan 8.300 nan 0.000 0.455 68 D N 0.654 120.830 120.400 -0.373 0.000 2.531 68 D HA 0.246 4.886 4.640 -0.000 0.000 0.244 68 D C -1.232 175.010 176.300 -0.097 0.000 1.090 68 D CA -0.881 52.936 54.000 -0.304 0.000 0.989 68 D CB 2.029 42.589 40.800 -0.400 0.000 1.433 68 D HN 0.482 nan 8.370 nan 0.000 0.492 69 K N 1.371 121.802 120.400 0.052 0.000 2.451 69 K HA 0.106 4.426 4.320 -0.000 0.000 0.280 69 K C -0.501 176.311 176.600 0.354 0.000 1.020 69 K CA -0.113 56.248 56.287 0.123 0.000 1.008 69 K CB 0.229 32.705 32.500 -0.039 0.000 0.917 69 K HN 0.316 nan 8.250 nan 0.000 0.478 70 N N 4.001 122.871 118.700 0.284 0.000 2.430 70 N HA 0.214 4.954 4.740 -0.000 0.000 0.292 70 N C -1.209 174.184 175.510 -0.196 0.000 1.051 70 N CA -0.597 52.609 53.050 0.259 0.000 0.917 70 N CB 0.813 39.470 38.487 0.284 0.000 1.164 70 N HN 0.513 nan 8.380 nan 0.000 0.484 71 L N 2.813 123.639 121.223 -0.662 0.000 2.342 71 L HA 0.239 4.579 4.340 -0.000 0.000 0.285 71 L C 0.699 177.361 176.870 -0.348 0.000 1.095 71 L CA -0.560 53.848 54.840 -0.719 0.000 0.843 71 L CB 0.222 41.565 42.059 -1.193 0.000 1.201 71 L HN 0.680 nan 8.230 nan 0.000 0.445 72 S N 1.737 117.278 115.700 -0.264 0.000 2.596 72 S HA -0.002 4.468 4.470 -0.000 0.000 0.260 72 S C 0.863 175.324 174.600 -0.231 0.000 1.336 72 S CA -0.472 57.619 58.200 -0.181 0.000 0.993 72 S CB 1.406 64.530 63.200 -0.127 0.000 0.923 72 S HN 0.621 nan 8.310 nan 0.000 0.567 73 Q N 1.475 121.146 119.800 -0.215 0.000 2.112 73 Q HA -0.130 4.210 4.340 -0.000 0.000 0.206 73 Q C 2.271 178.044 176.000 -0.378 0.000 0.987 73 Q CA 2.593 58.183 55.803 -0.355 0.000 0.858 73 Q CB -1.293 27.270 28.738 -0.292 0.000 0.905 73 Q HN 0.938 nan 8.270 nan 0.000 0.420 74 A N 0.051 122.780 122.820 -0.151 0.000 1.883 74 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 74 A C 2.161 179.696 177.584 -0.082 0.000 1.186 74 A CA 1.665 53.696 52.037 -0.010 0.000 0.624 74 A CB -0.918 18.103 19.000 0.036 0.000 0.822 74 A HN 0.467 nan 8.150 nan 0.000 0.444 75 L N -1.147 119.947 121.223 -0.215 0.000 2.191 75 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 75 L C 2.495 179.172 176.870 -0.323 0.000 1.103 75 L CA 1.609 56.240 54.840 -0.348 0.000 0.769 75 L CB -0.384 41.368 42.059 -0.511 0.000 0.908 75 L HN 0.409 nan 8.230 nan 0.000 0.438 76 K N -0.931 119.281 120.400 -0.315 0.000 2.167 76 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 76 K C 1.987 178.497 176.600 -0.150 0.000 1.052 76 K CA 0.905 57.019 56.287 -0.288 0.000 0.956 76 K CB -0.036 32.262 32.500 -0.338 0.000 0.735 76 K HN 0.031 nan 8.250 nan 0.000 0.451 77 F N 0.762 120.659 119.950 -0.089 0.000 2.113 77 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 77 F C 2.197 178.000 175.800 0.005 0.000 1.103 77 F CA 0.665 58.646 58.000 -0.031 0.000 1.248 77 F CB -0.816 38.168 39.000 -0.027 0.000 0.999 77 F HN -0.260 nan 8.300 nan 0.000 0.475 78 V N 0.076 120.044 119.914 0.091 0.000 2.515 78 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 78 V C 2.450 178.236 176.094 -0.514 0.000 1.058 78 V CA 1.687 63.835 62.300 -0.253 0.000 1.064 78 V CB -0.812 30.866 31.823 -0.242 0.000 0.675 78 V HN 0.229 nan 8.190 nan 0.000 0.461 79 R N 0.457 120.777 120.500 -0.299 0.000 2.170 79 R HA -0.215 4.125 4.340 -0.000 0.000 0.242 79 R C 1.779 177.951 176.300 -0.213 0.000 1.145 79 R CA 1.767 57.684 56.100 -0.304 0.000 0.984 79 R CB -0.361 29.793 30.300 -0.243 0.000 0.869 79 R HN 0.486 nan 8.270 nan 0.000 0.455 80 D N -0.382 120.017 120.400 -0.001 0.000 2.263 80 D HA -0.166 4.474 4.640 -0.000 0.000 0.208 80 D C 1.182 177.584 176.300 0.170 0.000 0.971 80 D CA 1.322 55.428 54.000 0.178 0.000 0.867 80 D CB 0.037 41.126 40.800 0.482 0.000 0.929 80 D HN 0.528 nan 8.370 nan 0.000 0.492 81 F N -2.261 117.699 119.950 0.016 0.000 2.778 81 F HA 0.546 5.073 4.527 -0.000 0.000 0.314 81 F C 1.723 177.512 175.800 -0.017 0.000 1.073 81 F CA -0.302 57.681 58.000 -0.030 0.000 1.218 81 F CB -0.147 38.797 39.000 -0.093 0.000 1.037 81 F HN -0.126 nan 8.300 nan 0.000 0.594 82 A N 1.037 123.524 122.820 -0.555 0.000 2.178 82 A HA 0.559 4.879 4.320 -0.000 0.000 0.211 82 A C 1.894 179.153 177.584 -0.543 0.000 1.157 82 A CA 0.686 52.498 52.037 -0.376 0.000 0.780 82 A CB -1.305 17.442 19.000 -0.421 0.000 0.828 82 A HN 0.860 nan 8.150 nan 0.000 0.476 83 G N 1.203 109.512 108.800 -0.819 0.000 2.582 83 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.288 83 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.288 83 G C 0.115 174.693 174.900 -0.537 0.000 1.247 83 G CA 0.528 44.985 45.100 -1.071 0.000 0.972 83 G HN 0.955 nan 8.290 nan 0.000 0.557 84 D N 1.494 121.667 120.400 -0.378 0.000 2.881 84 D HA 0.467 5.107 4.640 -0.000 0.000 0.240 84 D C 1.089 177.378 176.300 -0.018 0.000 1.249 84 D CA 0.720 54.649 54.000 -0.118 0.000 0.839 84 D CB -0.434 40.358 40.800 -0.013 0.000 1.042 84 D HN 0.823 nan 8.370 nan 0.000 0.475 85 G N -0.186 108.584 108.800 -0.051 0.000 2.683 85 G HA2 0.204 4.164 3.960 -0.000 0.000 0.260 85 G HA3 0.204 4.164 3.960 -0.000 0.000 0.260 85 G C 1.004 175.958 174.900 0.090 0.000 1.238 85 G CA -0.715 44.401 45.100 0.027 0.000 0.934 85 G HN 0.288 nan 8.290 nan 0.000 0.534 86 L N -0.756 120.556 121.223 0.148 0.000 2.083 86 L HA -0.075 4.264 4.340 -0.000 0.000 0.209 86 L C 2.468 179.546 176.870 0.347 0.000 1.083 86 L CA 0.952 55.968 54.840 0.294 0.000 0.752 86 L CB -0.303 41.897 42.059 0.235 0.000 0.899 86 L HN 0.542 nan 8.230 nan 0.000 0.433 87 F N 0.748 120.738 119.950 0.066 0.000 2.259 87 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 87 F C 2.051 177.801 175.800 -0.083 0.000 1.088 87 F CA 1.460 59.466 58.000 0.010 0.000 1.358 87 F CB -0.308 38.694 39.000 0.002 0.000 1.040 87 F HN 0.031 nan 8.300 nan 0.000 0.505 88 T N -1.724 112.707 114.554 -0.204 0.000 3.269 88 T HA 0.400 4.750 4.350 -0.000 0.000 0.269 88 T C 0.187 174.671 174.700 -0.361 0.000 0.993 88 T CA -0.285 61.562 62.100 -0.421 0.000 0.909 88 T CB -0.302 68.333 68.868 -0.387 0.000 1.115 88 T HN -0.009 nan 8.240 nan 0.000 0.543 89 S N 0.578 116.117 115.700 -0.268 0.000 2.568 89 S HA 0.620 5.090 4.470 -0.000 0.000 0.302 89 S C -0.971 173.396 174.600 -0.387 0.000 1.082 89 S CA -0.990 57.075 58.200 -0.225 0.000 1.009 89 S CB 0.961 64.198 63.200 0.062 0.000 1.069 89 S HN 0.553 nan 8.310 nan 0.000 0.500 90 W N 1.222 122.350 121.300 -0.286 0.000 2.261 90 W HA 0.246 4.906 4.660 -0.000 0.000 0.323 90 W C 1.668 177.870 176.519 -0.528 0.000 1.243 90 W CA -0.356 56.740 57.345 -0.413 0.000 1.210 90 W CB 0.002 29.116 29.460 -0.577 0.000 1.149 90 W HN 0.643 nan 8.180 nan 0.000 0.562 91 T N 0.659 115.033 114.554 -0.300 0.000 2.699 91 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 91 T C 1.549 176.141 174.700 -0.181 0.000 1.036 91 T CA 2.018 63.765 62.100 -0.588 0.000 1.147 91 T CB -0.439 68.154 68.868 -0.459 0.000 0.862 91 T HN 0.559 nan 8.240 nan 0.000 0.446 92 H N 0.635 119.731 119.070 0.043 0.000 2.556 92 H HA 0.272 4.828 4.556 -0.000 0.000 0.268 92 H C 0.429 175.837 175.328 0.135 0.000 0.996 92 H CA 0.133 56.230 56.048 0.081 0.000 1.157 92 H CB -0.191 29.590 29.762 0.033 0.000 1.355 92 H HN 0.396 nan 8.280 nan 0.000 0.597 93 E N 1.938 122.086 120.200 -0.085 0.000 2.373 93 E HA -0.002 4.347 4.350 -0.000 0.000 0.267 93 E C 1.131 177.846 176.600 0.191 0.000 1.032 93 E CA -0.429 56.014 56.400 0.071 0.000 0.889 93 E CB 1.478 31.211 29.700 0.055 0.000 0.984 93 E HN 0.156 nan 8.360 nan 0.000 0.425 94 K N 3.167 123.664 120.400 0.162 0.000 2.020 94 K HA -0.258 4.062 4.320 -0.000 0.000 0.212 94 K C 1.070 177.761 176.600 0.151 0.000 1.050 94 K CA 1.870 58.246 56.287 0.149 0.000 0.929 94 K CB -0.133 32.434 32.500 0.112 0.000 0.714 94 K HN 0.503 nan 8.250 nan 0.000 0.443 95 N N -0.817 117.968 118.700 0.142 0.000 2.396 95 N HA -0.142 4.598 4.740 -0.000 0.000 0.180 95 N C 1.420 177.020 175.510 0.149 0.000 1.028 95 N CA 0.640 53.763 53.050 0.122 0.000 0.893 95 N CB -0.096 38.456 38.487 0.109 0.000 0.967 95 N HN 0.318 nan 8.380 nan 0.000 0.440 96 W N 2.063 123.391 121.300 0.047 0.000 2.378 96 W HA -0.081 4.579 4.660 -0.000 0.000 0.313 96 W C 1.918 178.496 176.519 0.098 0.000 1.197 96 W CA 1.237 58.615 57.345 0.056 0.000 1.304 96 W CB -0.060 29.409 29.460 0.014 0.000 1.148 96 W HN -0.205 nan 8.180 nan 0.000 0.494 97 K N 0.717 121.314 120.400 0.329 0.000 2.001 97 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 97 K C 1.997 178.583 176.600 -0.023 0.000 1.050 97 K CA 2.458 58.835 56.287 0.150 0.000 0.934 97 K CB -0.549 32.109 32.500 0.262 0.000 0.718 97 K HN 0.038 nan 8.250 nan 0.000 0.443 98 K N -0.204 120.214 120.400 0.029 0.000 2.001 98 K HA -0.191 4.129 4.320 -0.000 0.000 0.214 98 K C 2.205 178.779 176.600 -0.044 0.000 1.050 98 K CA 1.688 57.979 56.287 0.006 0.000 0.934 98 K CB -0.353 32.166 32.500 0.033 0.000 0.718 98 K HN 0.218 nan 8.250 nan 0.000 0.443 99 A N 0.820 123.600 122.820 -0.068 0.000 1.902 99 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 99 A C 1.990 179.494 177.584 -0.133 0.000 1.181 99 A CA 2.001 53.999 52.037 -0.064 0.000 0.623 99 A CB -0.834 18.144 19.000 -0.037 0.000 0.818 99 A HN 0.503 nan 8.150 nan 0.000 0.443 100 H N 0.275 119.066 119.070 -0.465 0.000 2.353 100 H HA -0.105 4.451 4.556 -0.000 0.000 0.300 100 H C 1.874 177.040 175.328 -0.270 0.000 1.090 100 H CA 2.127 57.846 56.048 -0.549 0.000 1.327 100 H CB -0.099 28.880 29.762 -1.304 0.000 1.383 100 H HN 0.409 nan 8.280 nan 0.000 0.508 101 N N -0.015 118.555 118.700 -0.216 0.000 2.244 101 N HA -0.079 4.661 4.740 -0.000 0.000 0.183 101 N C 1.891 177.332 175.510 -0.115 0.000 1.016 101 N CA 1.376 54.341 53.050 -0.141 0.000 0.866 101 N CB -0.041 38.431 38.487 -0.024 0.000 0.980 101 N HN 0.472 nan 8.380 nan 0.000 0.430 102 I N -0.169 120.356 120.570 -0.076 0.000 2.480 102 I HA -0.061 4.109 4.170 -0.000 0.000 0.251 102 I C 1.643 177.764 176.117 0.007 0.000 1.124 102 I CA 0.568 61.854 61.300 -0.023 0.000 1.444 102 I CB 0.138 38.144 38.000 0.010 0.000 1.098 102 I HN 0.015 nan 8.210 nan 0.000 0.428 103 L N -0.510 120.731 121.223 0.031 0.000 2.416 103 L HA -0.047 4.293 4.340 -0.000 0.000 0.216 103 L C 2.245 179.228 176.870 0.189 0.000 1.098 103 L CA 0.115 55.059 54.840 0.173 0.000 0.840 103 L CB -0.090 42.175 42.059 0.343 0.000 0.981 103 L HN 0.197 nan 8.230 nan 0.000 0.462 104 L N 1.370 122.589 121.223 -0.007 0.000 1.997 104 L HA -0.168 4.172 4.340 -0.000 0.000 0.216 104 L C -0.503 176.401 176.870 0.057 0.000 1.074 104 L CA 2.374 57.195 54.840 -0.031 0.000 0.763 104 L CB -1.406 40.499 42.059 -0.257 0.000 0.890 104 L HN 0.128 nan 8.230 nan 0.000 0.434 105 P HA -0.052 nan 4.420 nan 0.000 0.222 105 P C 1.446 178.753 177.300 0.012 0.000 1.147 105 P CA 1.259 64.356 63.100 -0.005 0.000 0.790 105 P CB -0.040 31.627 31.700 -0.055 0.000 0.780 106 S N -1.844 113.879 115.700 0.039 0.000 2.607 106 S HA 0.089 4.559 4.470 -0.000 0.000 0.224 106 S C 0.777 175.327 174.600 -0.083 0.000 0.969 106 S CA 0.516 58.729 58.200 0.021 0.000 0.927 106 S CB -0.702 62.566 63.200 0.113 0.000 0.772 106 S HN 0.128 nan 8.310 nan 0.000 0.533 107 F N 1.837 121.838 119.950 0.085 0.000 2.661 107 F HA 0.275 4.802 4.527 -0.000 0.000 0.306 107 F C 1.323 177.167 175.800 0.074 0.000 1.094 107 F CA -0.665 57.386 58.000 0.085 0.000 1.254 107 F CB 0.045 39.047 39.000 0.004 0.000 1.040 107 F HN 0.052 nan 8.300 nan 0.000 0.562 108 S N -0.630 115.171 115.700 0.169 0.000 2.589 108 S HA -0.031 4.439 4.470 -0.000 0.000 0.265 108 S C 1.366 176.022 174.600 0.093 0.000 1.342 108 S CA -0.358 57.903 58.200 0.102 0.000 1.005 108 S CB 1.007 64.234 63.200 0.044 0.000 0.909 108 S HN 0.454 nan 8.310 nan 0.000 0.555 109 Q N 0.393 120.239 119.800 0.076 0.000 2.124 109 Q HA -0.200 4.140 4.340 -0.000 0.000 0.202 109 Q C 2.219 178.253 176.000 0.057 0.000 0.977 109 Q CA 1.958 57.815 55.803 0.090 0.000 0.850 109 Q CB -0.223 28.574 28.738 0.097 0.000 0.901 109 Q HN 0.880 nan 8.270 nan 0.000 0.429 110 Q N -0.342 119.458 119.800 0.001 0.000 2.119 110 Q HA -0.092 4.248 4.340 -0.000 0.000 0.201 110 Q C 1.932 177.824 176.000 -0.179 0.000 0.972 110 Q CA 1.478 57.226 55.803 -0.092 0.000 0.847 110 Q CB -0.305 28.386 28.738 -0.079 0.000 0.903 110 Q HN 0.405 nan 8.270 nan 0.000 0.433 111 A N 0.591 123.342 122.820 -0.114 0.000 2.024 111 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 111 A C 1.862 179.298 177.584 -0.246 0.000 1.164 111 A CA 1.343 53.277 52.037 -0.172 0.000 0.643 111 A CB -0.449 18.520 19.000 -0.051 0.000 0.806 111 A HN 0.260 nan 8.150 nan 0.000 0.451 112 M N -0.551 118.979 119.600 -0.117 0.000 2.358 112 M HA -0.119 4.361 4.480 -0.000 0.000 0.264 112 M C 1.880 177.991 176.300 -0.314 0.000 1.064 112 M CA 1.748 56.979 55.300 -0.114 0.000 1.093 112 M CB -1.088 31.436 32.600 -0.126 0.000 1.401 112 M HN 0.563 nan 8.290 nan 0.000 0.440 113 K N 0.343 120.383 120.400 -0.600 0.000 2.147 113 K HA -0.077 4.242 4.320 -0.000 0.000 0.205 113 K C 1.815 178.206 176.600 -0.349 0.000 1.049 113 K CA 1.646 57.469 56.287 -0.773 0.000 0.936 113 K CB -0.406 31.570 32.500 -0.874 0.000 0.722 113 K HN 0.343 nan 8.250 nan 0.000 0.446 114 G N -1.508 107.074 108.800 -0.362 0.000 2.939 114 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.210 114 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.210 114 G C 0.589 175.345 174.900 -0.240 0.000 1.160 114 G CA -0.033 44.889 45.100 -0.296 0.000 0.770 114 G HN 0.236 nan 8.290 nan 0.000 0.543 115 Y N -0.641 119.634 120.300 -0.041 0.000 2.503 115 Y HA 0.119 4.668 4.550 -0.000 0.000 0.278 115 Y C 2.359 178.261 175.900 0.004 0.000 1.111 115 Y CA -0.366 57.721 58.100 -0.022 0.000 1.270 115 Y CB -0.586 37.846 38.460 -0.047 0.000 1.063 115 Y HN 0.355 nan 8.280 nan 0.000 0.548 116 H N 0.286 119.416 119.070 0.101 0.000 2.321 116 H HA -0.250 4.306 4.556 -0.000 0.000 0.295 116 H C 2.105 177.509 175.328 0.128 0.000 1.102 116 H CA 1.818 57.972 56.048 0.177 0.000 1.266 116 H CB -0.006 29.888 29.762 0.221 0.000 1.363 116 H HN 0.326 nan 8.280 nan 0.000 0.492 117 A N 0.844 123.732 122.820 0.114 0.000 1.933 117 A HA -0.145 4.174 4.320 -0.000 0.000 0.218 117 A C 2.654 180.224 177.584 -0.022 0.000 1.175 117 A CA 1.763 53.825 52.037 0.042 0.000 0.628 117 A CB -0.608 18.441 19.000 0.080 0.000 0.814 117 A HN 0.511 nan 8.150 nan 0.000 0.444 118 M N -1.224 118.385 119.600 0.016 0.000 2.492 118 M HA 0.081 4.561 4.480 -0.000 0.000 0.262 118 M C 2.076 178.365 176.300 -0.019 0.000 1.090 118 M CA 0.772 56.076 55.300 0.007 0.000 1.110 118 M CB -0.296 32.326 32.600 0.038 0.000 1.407 118 M HN 0.356 nan 8.290 nan 0.000 0.470 119 M N -0.469 119.097 119.600 -0.057 0.000 2.200 119 M HA -0.111 4.368 4.480 -0.000 0.000 0.265 119 M C 2.122 178.350 176.300 -0.120 0.000 1.066 119 M CA 1.110 56.358 55.300 -0.086 0.000 1.127 119 M CB -0.313 32.216 32.600 -0.119 0.000 1.379 119 M HN 0.111 nan 8.290 nan 0.000 0.420 120 V N 0.566 120.361 119.914 -0.198 0.000 2.427 120 V HA -0.270 3.850 4.120 -0.000 0.000 0.248 120 V C 2.144 178.188 176.094 -0.085 0.000 1.051 120 V CA 1.842 64.044 62.300 -0.164 0.000 1.048 120 V CB -0.749 30.961 31.823 -0.188 0.000 0.666 120 V HN 0.517 nan 8.190 nan 0.000 0.456 121 D N 0.477 120.842 120.400 -0.058 0.000 2.126 121 D HA -0.208 4.432 4.640 -0.000 0.000 0.190 121 D C 2.002 178.293 176.300 -0.015 0.000 1.001 121 D CA 1.801 55.785 54.000 -0.028 0.000 0.841 121 D CB 0.062 40.854 40.800 -0.013 0.000 0.949 121 D HN 0.330 nan 8.370 nan 0.000 0.446 122 I N 1.125 121.698 120.570 0.005 0.000 2.500 122 I HA -0.091 4.079 4.170 -0.000 0.000 0.252 122 I C 2.725 178.845 176.117 0.004 0.000 1.142 122 I CA 0.602 61.937 61.300 0.058 0.000 1.451 122 I CB -1.623 36.441 38.000 0.107 0.000 1.093 122 I HN -0.044 nan 8.210 nan 0.000 0.430 123 A N 1.017 123.810 122.820 -0.044 0.000 1.940 123 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 123 A C 2.570 180.058 177.584 -0.161 0.000 1.176 123 A CA 1.708 53.686 52.037 -0.098 0.000 0.631 123 A CB -0.934 18.014 19.000 -0.087 0.000 0.814 123 A HN 0.240 nan 8.150 nan 0.000 0.446 124 V N -0.039 119.795 119.914 -0.133 0.000 2.407 124 V HA -0.307 3.812 4.120 -0.000 0.000 0.248 124 V C 2.635 178.595 176.094 -0.223 0.000 1.055 124 V CA 2.223 64.427 62.300 -0.160 0.000 1.049 124 V CB -0.802 30.959 31.823 -0.104 0.000 0.662 124 V HN 0.650 nan 8.190 nan 0.000 0.455 125 Q N -0.837 118.832 119.800 -0.219 0.000 2.124 125 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 125 Q C 2.267 177.824 176.000 -0.739 0.000 0.977 125 Q CA 1.692 57.286 55.803 -0.349 0.000 0.850 125 Q CB -0.272 28.375 28.738 -0.153 0.000 0.901 125 Q HN 0.562 nan 8.270 nan 0.000 0.429 126 L N 0.208 120.977 121.223 -0.756 0.000 1.994 126 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 126 L C 2.171 178.515 176.870 -0.876 0.000 1.071 126 L CA 1.407 55.633 54.840 -1.022 0.000 0.745 126 L CB -0.507 41.138 42.059 -0.689 0.000 0.892 126 L HN -0.046 nan 8.230 nan 0.000 0.431 127 V N -0.101 119.495 119.914 -0.531 0.000 2.282 127 V HA -0.363 3.757 4.120 -0.000 0.000 0.249 127 V C 2.610 178.636 176.094 -0.114 0.000 1.057 127 V CA 2.260 64.422 62.300 -0.231 0.000 1.032 127 V CB -0.857 30.831 31.823 -0.225 0.000 0.645 127 V HN 0.586 nan 8.190 nan 0.000 0.447 128 Q N -0.362 119.301 119.800 -0.229 0.000 2.170 128 Q HA -0.249 4.091 4.340 -0.000 0.000 0.203 128 Q C 2.388 178.306 176.000 -0.137 0.000 0.976 128 Q CA 1.567 57.277 55.803 -0.154 0.000 0.858 128 Q CB -0.223 28.409 28.738 -0.177 0.000 0.907 128 Q HN 0.628 nan 8.270 nan 0.000 0.433 129 K N 0.146 120.376 120.400 -0.283 0.000 2.026 129 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 129 K C 1.649 178.289 176.600 0.066 0.000 1.048 129 K CA 1.286 57.458 56.287 -0.191 0.000 0.929 129 K CB 0.001 32.270 32.500 -0.385 0.000 0.713 129 K HN 0.193 nan 8.250 nan 0.000 0.439 130 W N 1.973 123.174 121.300 -0.166 0.000 2.402 130 W HA -0.059 4.601 4.660 -0.000 0.000 0.286 130 W C 1.844 178.372 176.519 0.016 0.000 1.221 130 W CA 0.440 57.671 57.345 -0.191 0.000 1.257 130 W CB -0.534 28.602 29.460 -0.540 0.000 1.120 130 W HN 0.213 nan 8.180 nan 0.000 0.551 131 E N -0.022 120.407 120.200 0.383 0.000 2.204 131 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 131 E C 1.674 178.346 176.600 0.121 0.000 0.989 131 E CA 0.901 57.468 56.400 0.280 0.000 0.824 131 E CB -0.299 29.484 29.700 0.139 0.000 0.756 131 E HN 0.343 nan 8.360 nan 0.000 0.477 132 R N 0.275 120.818 120.500 0.072 0.000 2.334 132 R HA 0.206 4.545 4.340 -0.000 0.000 0.220 132 R C 0.494 176.802 176.300 0.013 0.000 0.917 132 R CA -0.179 55.934 56.100 0.022 0.000 1.073 132 R CB 0.199 30.493 30.300 -0.009 0.000 1.056 132 R HN 0.009 nan 8.270 nan 0.000 0.506 133 L N 1.260 122.496 121.223 0.021 0.000 2.417 133 L HA 0.132 4.472 4.340 -0.000 0.000 0.268 133 L C 0.445 177.299 176.870 -0.026 0.000 1.158 133 L CA -0.403 54.424 54.840 -0.021 0.000 0.819 133 L CB 0.490 42.510 42.059 -0.064 0.000 1.112 133 L HN 0.138 nan 8.230 nan 0.000 0.458 134 N N 0.885 119.563 118.700 -0.037 0.000 2.483 134 N HA 0.128 4.868 4.740 -0.000 0.000 0.269 134 N C 0.737 176.220 175.510 -0.046 0.000 1.209 134 N CA 0.117 53.148 53.050 -0.032 0.000 0.969 134 N CB 1.469 39.940 38.487 -0.027 0.000 1.173 134 N HN 0.742 nan 8.380 nan 0.000 0.475 135 A N 0.963 123.761 122.820 -0.037 0.000 1.978 135 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 135 A C 1.242 178.793 177.584 -0.055 0.000 1.170 135 A CA 1.885 53.894 52.037 -0.045 0.000 0.636 135 A CB -0.360 18.621 19.000 -0.031 0.000 0.810 135 A HN 0.799 nan 8.150 nan 0.000 0.448 136 D N -0.114 120.262 120.400 -0.041 0.000 2.328 136 D HA 0.035 4.674 4.640 -0.000 0.000 0.221 136 D C 0.383 176.668 176.300 -0.024 0.000 1.072 136 D CA 0.120 54.102 54.000 -0.030 0.000 0.850 136 D CB -0.322 40.471 40.800 -0.012 0.000 0.922 136 D HN 0.660 nan 8.370 nan 0.000 0.516 137 E N 0.281 120.447 120.200 -0.057 0.000 2.302 137 E HA 0.343 4.693 4.350 -0.000 0.000 0.255 137 E C 0.461 176.993 176.600 -0.112 0.000 1.099 137 E CA -0.812 55.543 56.400 -0.076 0.000 0.929 137 E CB 0.837 30.459 29.700 -0.131 0.000 1.203 137 E HN 0.366 nan 8.360 nan 0.000 0.459 138 H N -1.558 117.390 119.070 -0.204 0.000 2.943 138 H HA 0.547 5.102 4.556 -0.000 0.000 0.323 138 H C -1.096 174.058 175.328 -0.289 0.000 1.296 138 H CA -1.099 54.764 56.048 -0.308 0.000 1.155 138 H CB 0.697 30.277 29.762 -0.304 0.000 1.882 138 H HN 0.339 nan 8.280 nan 0.000 0.553 139 I N 1.049 121.447 120.570 -0.287 0.000 2.404 139 I HA 0.140 4.310 4.170 -0.000 0.000 0.293 139 I C -0.232 175.763 176.117 -0.203 0.000 0.992 139 I CA -0.412 60.652 61.300 -0.394 0.000 1.149 139 I CB 1.802 39.322 38.000 -0.800 0.000 1.315 139 I HN 0.441 nan 8.210 nan 0.000 0.446 140 E N 5.229 125.348 120.200 -0.134 0.000 2.044 140 E HA 0.155 4.505 4.350 -0.000 0.000 0.282 140 E C 0.567 177.118 176.600 -0.082 0.000 1.031 140 E CA -0.300 56.050 56.400 -0.083 0.000 0.824 140 E CB 1.542 31.225 29.700 -0.028 0.000 1.076 140 E HN 0.438 nan 8.360 nan 0.000 0.395 141 V N 5.508 125.299 119.914 -0.206 0.000 2.229 141 V HA -0.154 3.965 4.120 -0.000 0.000 0.243 141 V C -1.002 175.090 176.094 -0.003 0.000 1.042 141 V CA 1.459 63.678 62.300 -0.136 0.000 1.000 141 V CB -1.112 30.484 31.823 -0.379 0.000 0.637 141 V HN 0.600 nan 8.190 nan 0.000 0.446 142 P HA -0.110 nan 4.420 nan 0.000 0.220 142 P C 1.308 178.611 177.300 0.004 0.000 1.148 142 P CA 1.223 64.311 63.100 -0.021 0.000 0.803 142 P CB 0.062 31.719 31.700 -0.072 0.000 0.782 143 E N -0.286 119.920 120.200 0.010 0.000 2.047 143 E HA -0.141 4.209 4.350 -0.000 0.000 0.191 143 E C 1.779 178.418 176.600 0.065 0.000 0.987 143 E CA 1.159 57.574 56.400 0.025 0.000 0.799 143 E CB -0.752 28.959 29.700 0.018 0.000 0.752 143 E HN 0.182 nan 8.360 nan 0.000 0.449 144 D N -0.678 119.806 120.400 0.140 0.000 2.234 144 D HA -0.049 4.591 4.640 -0.000 0.000 0.205 144 D C 1.596 178.023 176.300 0.211 0.000 0.962 144 D CA 0.638 54.792 54.000 0.257 0.000 0.855 144 D CB 0.081 41.150 40.800 0.449 0.000 0.951 144 D HN 0.108 nan 8.370 nan 0.000 0.500 145 M N 0.100 119.792 119.600 0.153 0.000 2.319 145 M HA -0.044 4.435 4.480 -0.000 0.000 0.265 145 M C 1.949 178.301 176.300 0.087 0.000 1.068 145 M CA 0.930 56.303 55.300 0.122 0.000 1.118 145 M CB -1.017 31.646 32.600 0.105 0.000 1.395 145 M HN -0.096 nan 8.290 nan 0.000 0.435 146 T N 0.075 114.662 114.554 0.054 0.000 2.812 146 T HA -0.039 4.311 4.350 -0.000 0.000 0.264 146 T C 2.015 176.720 174.700 0.009 0.000 1.042 146 T CA 0.945 63.068 62.100 0.039 0.000 1.140 146 T CB -0.050 68.831 68.868 0.021 0.000 0.870 146 T HN 0.348 nan 8.240 nan 0.000 0.445 147 R N 0.759 121.211 120.500 -0.080 0.000 2.083 147 R HA -0.020 4.320 4.340 -0.000 0.000 0.237 147 R C 2.475 178.627 176.300 -0.245 0.000 1.137 147 R CA 1.030 56.955 56.100 -0.292 0.000 0.951 147 R CB -0.643 29.254 30.300 -0.672 0.000 0.851 147 R HN 0.243 nan 8.270 nan 0.000 0.434 148 L N 1.363 122.564 121.223 -0.038 0.000 1.989 148 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 148 L C 2.201 179.144 176.870 0.122 0.000 1.071 148 L CA 2.765 57.695 54.840 0.150 0.000 0.749 148 L CB -1.257 40.926 42.059 0.205 0.000 0.890 148 L HN 0.385 nan 8.230 nan 0.000 0.431 149 T N -2.427 112.200 114.554 0.122 0.000 2.904 149 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 149 T C 2.187 176.997 174.700 0.183 0.000 1.059 149 T CA 1.081 63.283 62.100 0.171 0.000 1.137 149 T CB -0.575 68.399 68.868 0.177 0.000 0.879 149 T HN 0.374 nan 8.240 nan 0.000 0.467 150 L N 0.927 122.233 121.223 0.138 0.000 2.046 150 L HA -0.037 4.302 4.340 -0.000 0.000 0.208 150 L C 2.586 179.581 176.870 0.209 0.000 1.077 150 L CA 1.665 56.578 54.840 0.121 0.000 0.747 150 L CB -0.551 41.496 42.059 -0.020 0.000 0.896 150 L HN 0.186 nan 8.230 nan 0.000 0.432 151 D N -1.019 119.490 120.400 0.181 0.000 2.178 151 D HA -0.139 4.501 4.640 -0.000 0.000 0.202 151 D C 2.181 178.573 176.300 0.153 0.000 0.974 151 D CA 1.229 55.375 54.000 0.242 0.000 0.841 151 D CB -0.094 40.788 40.800 0.136 0.000 0.953 151 D HN 0.166 nan 8.370 nan 0.000 0.478 152 T N 0.254 114.905 114.554 0.161 0.000 2.821 152 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 152 T C 2.058 176.889 174.700 0.218 0.000 1.046 152 T CA 0.562 62.765 62.100 0.171 0.000 1.139 152 T CB -0.103 68.884 68.868 0.199 0.000 0.871 152 T HN 0.159 nan 8.240 nan 0.000 0.454 153 I N 0.825 121.525 120.570 0.218 0.000 2.439 153 I HA -0.011 4.159 4.170 -0.000 0.000 0.251 153 I C 2.776 178.909 176.117 0.026 0.000 1.139 153 I CA 0.896 62.270 61.300 0.123 0.000 1.438 153 I CB -0.435 37.636 38.000 0.119 0.000 1.085 153 I HN 0.289 nan 8.210 nan 0.000 0.427 154 G N 0.904 109.710 108.800 0.009 0.000 2.402 154 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 154 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 154 G C 1.596 176.034 174.900 -0.769 0.000 1.162 154 G CA 0.382 45.135 45.100 -0.579 0.000 0.777 154 G HN 0.206 nan 8.290 nan 0.000 0.539 155 L N 0.623 121.640 121.223 -0.343 0.000 2.007 155 L HA 0.047 4.386 4.340 -0.000 0.000 0.205 155 L C 2.873 179.652 176.870 -0.152 0.000 1.073 155 L CA 1.594 56.278 54.840 -0.260 0.000 0.744 155 L CB -0.837 41.139 42.059 -0.138 0.000 0.898 155 L HN 0.252 nan 8.230 nan 0.000 0.435 156 C N 0.064 119.340 119.300 -0.039 0.000 2.413 156 C HA -0.077 4.383 4.460 -0.000 0.000 0.276 156 C C 2.744 177.683 174.990 -0.084 0.000 1.248 156 C CA 0.704 59.732 59.018 0.018 0.000 1.742 156 C CB -2.013 25.782 27.740 0.092 0.000 2.017 156 C HN 0.761 nan 8.230 nan 0.000 0.481 157 G N 0.243 108.971 108.800 -0.120 0.000 2.394 157 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.214 157 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.214 157 G C 0.728 175.763 174.900 0.225 0.000 1.176 157 G CA 1.189 46.303 45.100 0.024 0.000 0.786 157 G HN 0.658 nan 8.290 nan 0.000 0.533 158 F N -2.169 117.770 119.950 -0.018 0.000 2.538 158 F HA 0.437 4.964 4.527 -0.000 0.000 0.390 158 F C 0.026 175.811 175.800 -0.023 0.000 1.448 158 F CA -1.546 56.437 58.000 -0.027 0.000 1.115 158 F CB -1.367 37.605 39.000 -0.046 0.000 1.268 158 F HN 0.103 nan 8.300 nan 0.000 0.515 159 N N 1.546 120.172 118.700 -0.123 0.000 2.708 159 N HA -0.316 4.424 4.740 -0.000 0.000 0.251 159 N C -1.228 174.194 175.510 -0.147 0.000 1.017 159 N CA 0.566 53.547 53.050 -0.114 0.000 0.742 159 N CB -0.568 37.905 38.487 -0.023 0.000 0.943 159 N HN 0.689 nan 8.380 nan 0.000 0.539 160 Y N 0.424 120.395 120.300 -0.548 0.000 2.376 160 Y HA 0.442 4.992 4.550 -0.000 0.000 0.340 160 Y C -0.269 175.211 175.900 -0.699 0.000 0.965 160 Y CA -0.905 56.846 58.100 -0.582 0.000 1.078 160 Y CB 0.976 39.047 38.460 -0.648 0.000 1.193 160 Y HN -0.040 nan 8.280 nan 0.000 0.452 161 R N 6.118 125.903 120.500 -1.193 0.000 2.204 161 R HA 0.207 4.547 4.340 -0.000 0.000 0.341 161 R C -0.228 175.549 176.300 -0.872 0.000 1.035 161 R CA -0.260 55.345 56.100 -0.824 0.000 0.887 161 R CB 0.321 30.344 30.300 -0.460 0.000 1.114 161 R HN 0.737 nan 8.270 nan 0.000 0.473 162 F N 0.931 120.669 119.950 -0.354 0.000 2.558 162 F HA -0.025 4.501 4.527 -0.000 0.000 0.298 162 F C 0.792 176.604 175.800 0.020 0.000 1.119 162 F CA -0.106 57.815 58.000 -0.132 0.000 1.451 162 F CB -0.108 38.853 39.000 -0.064 0.000 1.091 162 F HN 0.486 nan 8.300 nan 0.000 0.563 163 N N 0.525 119.308 118.700 0.137 0.000 2.699 163 N HA -0.212 4.527 4.740 -0.000 0.000 0.256 163 N C 1.131 176.795 175.510 0.257 0.000 0.993 163 N CA 0.819 54.006 53.050 0.229 0.000 0.759 163 N CB -1.137 37.429 38.487 0.131 0.000 0.906 163 N HN 0.176 nan 8.380 nan 0.000 0.541 164 S N -0.828 114.938 115.700 0.110 0.000 2.399 164 S HA -0.065 4.405 4.470 -0.000 0.000 0.231 164 S C 1.241 175.766 174.600 -0.126 0.000 1.022 164 S CA 0.750 58.912 58.200 -0.063 0.000 0.983 164 S CB -0.093 62.950 63.200 -0.261 0.000 0.803 164 S HN 0.461 nan 8.310 nan 0.000 0.480 165 F N -0.210 119.785 119.950 0.075 0.000 2.802 165 F HA 0.174 4.701 4.527 -0.000 0.000 0.300 165 F C 0.678 176.381 175.800 -0.162 0.000 1.168 165 F CA 0.010 57.969 58.000 -0.069 0.000 1.433 165 F CB -0.441 38.456 39.000 -0.171 0.000 1.115 165 F HN 0.226 nan 8.300 nan 0.000 0.582 166 Y N 0.469 120.857 120.300 0.146 0.000 2.607 166 Y HA 0.278 4.827 4.550 -0.000 0.000 0.266 166 Y C 0.625 176.567 175.900 0.069 0.000 1.178 166 Y CA -0.586 57.574 58.100 0.099 0.000 1.226 166 Y CB 0.067 38.571 38.460 0.074 0.000 1.144 166 Y HN -0.135 nan 8.280 nan 0.000 0.528 167 R N -1.628 118.972 120.500 0.168 0.000 2.707 167 R HA 0.333 4.673 4.340 -0.000 0.000 0.272 167 R C -0.748 175.593 176.300 0.069 0.000 1.011 167 R CA -0.608 55.559 56.100 0.112 0.000 0.893 167 R CB 1.328 31.694 30.300 0.109 0.000 1.233 167 R HN -0.044 nan 8.270 nan 0.000 0.464 168 D N 0.912 121.344 120.400 0.053 0.000 2.120 168 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 168 D C -0.246 176.070 176.300 0.028 0.000 0.972 168 D CA 1.585 55.606 54.000 0.035 0.000 0.837 168 D CB 0.378 41.194 40.800 0.028 0.000 0.989 168 D HN 0.398 nan 8.370 nan 0.000 0.469 169 Q N 1.273 121.092 119.800 0.031 0.000 2.290 169 Q HA 0.339 4.679 4.340 -0.000 0.000 0.259 169 Q C -2.386 173.638 176.000 0.040 0.000 0.941 169 Q CA -1.764 54.054 55.803 0.026 0.000 0.912 169 Q CB 1.513 30.263 28.738 0.020 0.000 1.244 169 Q HN -0.027 nan 8.270 nan 0.000 0.441 170 P HA -0.104 nan 4.420 nan 0.000 0.271 170 P C -0.481 176.891 177.300 0.121 0.000 1.233 170 P CA -0.222 62.917 63.100 0.064 0.000 0.789 170 P CB 0.432 32.149 31.700 0.027 0.000 0.951 171 H N 2.882 122.008 119.070 0.093 0.000 3.115 171 H HA -0.067 4.489 4.556 -0.000 0.000 0.324 171 H C -1.395 174.021 175.328 0.146 0.000 1.007 171 H CA -0.560 55.594 56.048 0.175 0.000 1.385 171 H CB 0.081 30.049 29.762 0.343 0.000 1.351 171 H HN 0.236 nan 8.280 nan 0.000 0.592 172 P HA -0.212 nan 4.420 nan 0.000 0.217 172 P C 1.512 178.979 177.300 0.278 0.000 1.151 172 P CA 1.369 64.554 63.100 0.142 0.000 0.849 172 P CB -0.201 31.525 31.700 0.044 0.000 0.787 173 F N 0.001 120.216 119.950 0.443 0.000 2.069 173 F HA -0.203 4.323 4.527 -0.000 0.000 0.298 173 F C 2.099 177.912 175.800 0.023 0.000 1.113 173 F CA 1.560 59.682 58.000 0.204 0.000 1.214 173 F CB -0.791 38.350 39.000 0.236 0.000 0.978 173 F HN -0.232 nan 8.300 nan 0.000 0.474 174 I N -0.377 120.257 120.570 0.108 0.000 2.163 174 I HA -0.354 3.816 4.170 -0.000 0.000 0.243 174 I C 2.312 178.341 176.117 -0.147 0.000 1.085 174 I CA 1.864 63.088 61.300 -0.127 0.000 1.347 174 I CB -0.927 36.990 38.000 -0.138 0.000 1.044 174 I HN 0.189 nan 8.210 nan 0.000 0.408 175 T N 0.022 114.540 114.554 -0.059 0.000 2.665 175 T HA -0.200 4.149 4.350 -0.000 0.000 0.268 175 T C 2.110 176.731 174.700 -0.131 0.000 1.035 175 T CA 2.029 64.089 62.100 -0.067 0.000 1.151 175 T CB -0.155 68.700 68.868 -0.023 0.000 0.862 175 T HN 0.291 nan 8.240 nan 0.000 0.438 176 S N 0.393 115.980 115.700 -0.188 0.000 2.387 176 S HA 0.097 4.567 4.470 -0.000 0.000 0.226 176 S C 1.985 176.350 174.600 -0.391 0.000 1.026 176 S CA 0.787 58.830 58.200 -0.261 0.000 0.972 176 S CB -0.262 62.778 63.200 -0.267 0.000 0.814 176 S HN 0.434 nan 8.310 nan 0.000 0.477 177 M N 1.126 120.422 119.600 -0.507 0.000 2.099 177 M HA -0.078 4.402 4.480 -0.000 0.000 0.262 177 M C 1.847 177.948 176.300 -0.332 0.000 1.067 177 M CA 1.471 56.456 55.300 -0.526 0.000 1.124 177 M CB -0.259 31.992 32.600 -0.581 0.000 1.353 177 M HN 0.147 nan 8.290 nan 0.000 0.410 178 V N 0.476 120.259 119.914 -0.219 0.000 2.407 178 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 178 V C 2.476 178.522 176.094 -0.081 0.000 1.055 178 V CA 1.978 64.228 62.300 -0.082 0.000 1.049 178 V CB -1.012 30.792 31.823 -0.033 0.000 0.662 178 V HN 0.530 nan 8.190 nan 0.000 0.455 179 R N 0.118 120.543 120.500 -0.125 0.000 2.073 179 R HA -0.066 4.274 4.340 -0.000 0.000 0.229 179 R C 2.293 178.534 176.300 -0.099 0.000 1.120 179 R CA 1.402 57.447 56.100 -0.091 0.000 0.967 179 R CB -0.331 29.918 30.300 -0.086 0.000 0.862 179 R HN 0.475 nan 8.270 nan 0.000 0.436 180 A N 0.975 123.656 122.820 -0.232 0.000 1.969 180 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 180 A C 1.946 179.419 177.584 -0.185 0.000 1.169 180 A CA 0.894 52.776 52.037 -0.258 0.000 0.635 180 A CB -0.359 18.143 19.000 -0.830 0.000 0.810 180 A HN 0.360 nan 8.150 nan 0.000 0.445 181 L N 0.034 121.154 121.223 -0.171 0.000 2.131 181 L HA -0.034 4.306 4.340 -0.000 0.000 0.206 181 L C 1.801 178.743 176.870 0.121 0.000 1.087 181 L CA 2.533 57.473 54.840 0.167 0.000 0.767 181 L CB -0.542 41.668 42.059 0.251 0.000 0.917 181 L HN 0.460 nan 8.230 nan 0.000 0.441 182 D N -0.955 119.469 120.400 0.041 0.000 2.144 182 D HA -0.260 4.380 4.640 -0.000 0.000 0.200 182 D C 2.062 178.350 176.300 -0.020 0.000 0.978 182 D CA 1.103 55.116 54.000 0.021 0.000 0.833 182 D CB 0.094 40.897 40.800 0.005 0.000 0.961 182 D HN 0.444 nan 8.370 nan 0.000 0.470 183 E N 0.192 120.369 120.200 -0.038 0.000 2.077 183 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 183 E C 1.862 178.323 176.600 -0.232 0.000 0.989 183 E CA 1.627 57.946 56.400 -0.135 0.000 0.800 183 E CB -0.604 29.029 29.700 -0.112 0.000 0.746 183 E HN 0.295 nan 8.360 nan 0.000 0.452 184 A N 0.370 123.130 122.820 -0.101 0.000 1.902 184 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 184 A C 2.172 179.710 177.584 -0.076 0.000 1.181 184 A CA 1.873 53.845 52.037 -0.108 0.000 0.623 184 A CB -0.480 18.682 19.000 0.270 0.000 0.818 184 A HN 0.297 nan 8.150 nan 0.000 0.443 185 M N 0.161 119.775 119.600 0.023 0.000 2.159 185 M HA -0.107 4.373 4.480 -0.000 0.000 0.263 185 M C 1.588 177.867 176.300 -0.035 0.000 1.063 185 M CA 1.274 56.599 55.300 0.041 0.000 1.110 185 M CB -1.670 30.966 32.600 0.059 0.000 1.374 185 M HN 0.382 nan 8.290 nan 0.000 0.411 186 N N 0.572 119.207 118.700 -0.108 0.000 2.188 186 N HA -0.093 4.647 4.740 -0.000 0.000 0.184 186 N C 1.544 176.916 175.510 -0.231 0.000 1.018 186 N CA 0.951 53.914 53.050 -0.145 0.000 0.858 186 N CB -0.246 38.145 38.487 -0.159 0.000 0.989 186 N HN 0.378 nan 8.380 nan 0.000 0.426 187 K N 0.437 120.610 120.400 -0.378 0.000 2.211 187 K HA -0.038 4.282 4.320 -0.000 0.000 0.204 187 K C 1.662 178.129 176.600 -0.222 0.000 1.047 187 K CA 0.664 56.636 56.287 -0.524 0.000 0.935 187 K CB -0.129 31.665 32.500 -1.177 0.000 0.728 187 K HN 0.197 nan 8.250 nan 0.000 0.452 188 L N 0.977 122.181 121.223 -0.032 0.000 2.362 188 L HA -0.161 4.179 4.340 -0.000 0.000 0.219 188 L C 1.956 178.860 176.870 0.057 0.000 1.134 188 L CA 0.927 55.855 54.840 0.147 0.000 0.807 188 L CB -0.169 41.989 42.059 0.165 0.000 0.927 188 L HN 0.308 nan 8.230 nan 0.000 0.447 189 Q N -0.757 119.035 119.800 -0.014 0.000 2.139 189 Q HA 0.158 4.498 4.340 -0.000 0.000 0.219 189 Q C 0.377 176.351 176.000 -0.044 0.000 0.805 189 Q CA -0.229 55.567 55.803 -0.012 0.000 1.024 189 Q CB 0.461 29.196 28.738 -0.006 0.000 1.163 189 Q HN 0.281 nan 8.270 nan 0.000 0.485 190 R N 0.971 121.410 120.500 -0.102 0.000 2.220 190 R HA 0.380 4.720 4.340 -0.000 0.000 0.340 190 R C 0.832 177.107 176.300 -0.043 0.000 1.076 190 R CA 0.342 56.353 56.100 -0.147 0.000 0.920 190 R CB 0.799 30.872 30.300 -0.379 0.000 1.062 190 R HN 0.347 nan 8.270 nan 0.000 0.469 191 A N 3.957 126.788 122.820 0.018 0.000 1.972 191 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 191 A C 0.533 178.149 177.584 0.054 0.000 1.169 191 A CA 1.381 53.442 52.037 0.040 0.000 0.635 191 A CB -0.131 18.899 19.000 0.050 0.000 0.810 191 A HN 0.799 nan 8.150 nan 0.000 0.446 192 N N -2.179 116.579 118.700 0.097 0.000 2.725 192 N HA 0.265 5.005 4.740 -0.000 0.000 0.248 192 N C -2.964 172.680 175.510 0.223 0.000 1.402 192 N CA -1.621 51.511 53.050 0.135 0.000 0.766 192 N CB 0.718 39.286 38.487 0.136 0.000 1.223 192 N HN -0.093 nan 8.380 nan 0.000 0.515 193 P HA -0.050 nan 4.420 nan 0.000 0.218 193 P C 0.198 177.612 177.300 0.190 0.000 1.149 193 P CA 1.176 64.275 63.100 -0.001 0.000 0.817 193 P CB 0.330 31.989 31.700 -0.068 0.000 0.785 194 D N -1.391 119.097 120.400 0.146 0.000 2.328 194 D HA -0.015 4.625 4.640 -0.000 0.000 0.226 194 D C 0.435 176.795 176.300 0.100 0.000 1.066 194 D CA 0.331 54.397 54.000 0.109 0.000 0.861 194 D CB -0.478 40.358 40.800 0.061 0.000 0.912 194 D HN 0.218 nan 8.370 nan 0.000 0.521 195 D N 1.277 121.761 120.400 0.140 0.000 2.455 195 D HA -0.022 4.617 4.640 -0.000 0.000 0.241 195 D C -1.525 174.721 176.300 -0.090 0.000 1.138 195 D CA -1.463 52.527 54.000 -0.018 0.000 0.877 195 D CB 2.050 42.783 40.800 -0.111 0.000 1.187 195 D HN -0.108 nan 8.370 nan 0.000 0.451 196 P HA -0.109 nan 4.420 nan 0.000 0.222 196 P C 0.678 177.894 177.300 -0.141 0.000 1.142 196 P CA 0.969 64.020 63.100 -0.083 0.000 0.788 196 P CB 0.152 31.811 31.700 -0.068 0.000 0.767 197 A N -1.880 120.760 122.820 -0.300 0.000 2.119 197 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 197 A C 1.171 178.556 177.584 -0.333 0.000 1.153 197 A CA 1.018 52.833 52.037 -0.370 0.000 0.692 197 A CB -1.345 17.338 19.000 -0.529 0.000 0.799 197 A HN 0.151 nan 8.150 nan 0.000 0.458 198 Y N 0.181 120.464 120.300 -0.029 0.000 2.461 198 Y HA 0.092 4.642 4.550 -0.000 0.000 0.277 198 Y C 1.306 177.186 175.900 -0.034 0.000 1.182 198 Y CA -0.594 57.481 58.100 -0.042 0.000 1.276 198 Y CB -0.308 38.117 38.460 -0.058 0.000 1.087 198 Y HN 0.274 nan 8.280 nan 0.000 0.519 199 D N 0.186 120.626 120.400 0.066 0.000 2.103 199 D HA -0.153 4.487 4.640 -0.000 0.000 0.199 199 D C 2.096 178.425 176.300 0.048 0.000 0.978 199 D CA 1.203 55.232 54.000 0.048 0.000 0.829 199 D CB 0.051 40.861 40.800 0.016 0.000 0.981 199 D HN 0.226 nan 8.370 nan 0.000 0.464 200 E N 1.006 121.229 120.200 0.038 0.000 2.153 200 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 200 E C 1.431 178.062 176.600 0.052 0.000 0.988 200 E CA 1.169 57.591 56.400 0.036 0.000 0.811 200 E CB -0.324 29.389 29.700 0.021 0.000 0.746 200 E HN 0.272 nan 8.360 nan 0.000 0.466 201 N N 0.129 118.870 118.700 0.069 0.000 2.043 201 N HA -0.138 4.602 4.740 -0.000 0.000 0.193 201 N C 1.625 177.173 175.510 0.065 0.000 1.037 201 N CA 1.780 54.865 53.050 0.059 0.000 0.851 201 N CB -0.100 38.421 38.487 0.056 0.000 1.027 201 N HN 0.109 nan 8.380 nan 0.000 0.422 202 K N 0.600 121.035 120.400 0.059 0.000 2.032 202 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 202 K C 2.102 178.781 176.600 0.132 0.000 1.048 202 K CA 1.407 57.743 56.287 0.082 0.000 0.927 202 K CB -0.108 32.427 32.500 0.059 0.000 0.712 202 K HN 0.368 nan 8.250 nan 0.000 0.441 203 R N 0.759 121.311 120.500 0.087 0.000 2.115 203 R HA -0.097 4.243 4.340 -0.000 0.000 0.226 203 R C 2.217 178.559 176.300 0.069 0.000 1.100 203 R CA 1.182 57.325 56.100 0.072 0.000 0.980 203 R CB -0.316 30.011 30.300 0.045 0.000 0.875 203 R HN 0.077 nan 8.270 nan 0.000 0.445 204 Q N 0.999 120.843 119.800 0.073 0.000 2.170 204 Q HA -0.155 4.184 4.340 -0.000 0.000 0.203 204 Q C 1.637 177.679 176.000 0.071 0.000 0.976 204 Q CA 1.411 57.246 55.803 0.053 0.000 0.858 204 Q CB -0.311 28.454 28.738 0.044 0.000 0.907 204 Q HN 0.408 nan 8.270 nan 0.000 0.433 205 F N 0.521 120.441 119.950 -0.051 0.000 2.102 205 F HA -0.197 4.330 4.527 -0.000 0.000 0.298 205 F C 1.980 177.751 175.800 -0.049 0.000 1.105 205 F CA 1.674 59.633 58.000 -0.068 0.000 1.239 205 F CB -0.276 38.691 39.000 -0.055 0.000 0.991 205 F HN 0.135 nan 8.300 nan 0.000 0.474 206 Q N 0.396 120.193 119.800 -0.004 0.000 2.124 206 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 206 Q C 2.111 178.051 176.000 -0.100 0.000 0.977 206 Q CA 1.436 57.192 55.803 -0.078 0.000 0.850 206 Q CB -0.598 28.152 28.738 0.020 0.000 0.901 206 Q HN 0.459 nan 8.270 nan 0.000 0.429 207 E N 0.797 120.958 120.200 -0.065 0.000 2.072 207 E HA -0.125 4.225 4.350 -0.000 0.000 0.191 207 E C 1.616 178.154 176.600 -0.104 0.000 0.985 207 E CA 0.793 57.156 56.400 -0.061 0.000 0.801 207 E CB -0.115 29.566 29.700 -0.033 0.000 0.750 207 E HN 0.362 nan 8.360 nan 0.000 0.452 208 D N 0.447 120.752 120.400 -0.159 0.000 2.144 208 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 208 D C 2.167 178.308 176.300 -0.265 0.000 0.978 208 D CA 0.470 54.338 54.000 -0.220 0.000 0.833 208 D CB -0.149 40.490 40.800 -0.269 0.000 0.961 208 D HN 0.180 nan 8.370 nan 0.000 0.470 209 I N 1.003 121.381 120.570 -0.321 0.000 2.208 209 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 209 I C 2.486 178.537 176.117 -0.109 0.000 1.097 209 I CA 1.122 62.276 61.300 -0.242 0.000 1.363 209 I CB -0.074 37.760 38.000 -0.277 0.000 1.051 209 I HN -0.053 nan 8.210 nan 0.000 0.413 210 K N 0.535 120.880 120.400 -0.093 0.000 2.097 210 K HA -0.164 4.155 4.320 -0.000 0.000 0.205 210 K C 2.155 178.743 176.600 -0.021 0.000 1.050 210 K CA 1.409 57.670 56.287 -0.043 0.000 0.938 210 K CB 0.001 32.480 32.500 -0.035 0.000 0.718 210 K HN 0.255 nan 8.250 nan 0.000 0.442 211 V N 0.686 120.581 119.914 -0.031 0.000 2.548 211 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 211 V C 2.000 178.145 176.094 0.086 0.000 1.055 211 V CA 1.407 63.720 62.300 0.021 0.000 1.065 211 V CB -0.213 31.617 31.823 0.011 0.000 0.681 211 V HN 0.350 nan 8.190 nan 0.000 0.462 212 M N 0.359 119.968 119.600 0.015 0.000 2.077 212 M HA -0.120 4.360 4.480 -0.000 0.000 0.261 212 M C 2.134 178.552 176.300 0.197 0.000 1.070 212 M CA 2.423 57.808 55.300 0.141 0.000 1.125 212 M CB -0.657 31.897 32.600 -0.077 0.000 1.339 212 M HN 0.391 nan 8.290 nan 0.000 0.409 213 N N 0.808 119.548 118.700 0.066 0.000 2.069 213 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 213 N C 1.232 176.733 175.510 -0.015 0.000 1.031 213 N CA 1.475 54.526 53.050 0.001 0.000 0.852 213 N CB -0.572 37.901 38.487 -0.024 0.000 1.018 213 N HN 0.266 nan 8.380 nan 0.000 0.423 214 D N 0.168 120.572 120.400 0.008 0.000 2.097 214 D HA -0.103 4.537 4.640 -0.000 0.000 0.195 214 D C 2.033 178.328 176.300 -0.008 0.000 0.989 214 D CA 0.494 54.492 54.000 -0.003 0.000 0.827 214 D CB -0.444 40.362 40.800 0.009 0.000 0.966 214 D HN 0.155 nan 8.370 nan 0.000 0.456 215 L N 0.344 121.589 121.223 0.037 0.000 2.056 215 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 215 L C 2.075 178.863 176.870 -0.136 0.000 1.078 215 L CA 1.308 56.135 54.840 -0.020 0.000 0.749 215 L CB -0.253 41.842 42.059 0.059 0.000 0.901 215 L HN -0.118 nan 8.230 nan 0.000 0.433 216 V N -0.240 119.599 119.914 -0.126 0.000 2.453 216 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 216 V C 2.243 178.212 176.094 -0.209 0.000 1.048 216 V CA 1.636 63.782 62.300 -0.256 0.000 1.049 216 V CB -0.809 30.862 31.823 -0.254 0.000 0.672 216 V HN 0.428 nan 8.190 nan 0.000 0.457 217 D N 0.327 120.639 120.400 -0.146 0.000 2.104 217 D HA -0.200 4.440 4.640 -0.000 0.000 0.194 217 D C 2.165 178.400 176.300 -0.109 0.000 0.994 217 D CA 1.541 55.464 54.000 -0.128 0.000 0.830 217 D CB -0.165 40.574 40.800 -0.102 0.000 0.959 217 D HN 0.311 nan 8.370 nan 0.000 0.452 218 K N 0.960 121.302 120.400 -0.096 0.000 2.063 218 K HA -0.071 4.248 4.320 -0.000 0.000 0.208 218 K C 2.103 178.647 176.600 -0.093 0.000 1.048 218 K CA 0.885 57.125 56.287 -0.080 0.000 0.928 218 K CB -0.613 31.848 32.500 -0.065 0.000 0.713 218 K HN 0.145 nan 8.250 nan 0.000 0.442 219 I N 0.348 120.834 120.570 -0.139 0.000 2.226 219 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 219 I C 2.134 178.194 176.117 -0.095 0.000 1.100 219 I CA 1.302 62.525 61.300 -0.128 0.000 1.374 219 I CB -0.233 37.656 38.000 -0.184 0.000 1.057 219 I HN 0.143 nan 8.210 nan 0.000 0.413 220 I N 0.708 121.205 120.570 -0.121 0.000 2.163 220 I HA -0.314 3.856 4.170 -0.000 0.000 0.243 220 I C 2.803 178.883 176.117 -0.061 0.000 1.085 220 I CA 1.475 62.719 61.300 -0.094 0.000 1.347 220 I CB -0.593 37.337 38.000 -0.116 0.000 1.044 220 I HN 0.191 nan 8.210 nan 0.000 0.408 221 A N 0.566 123.350 122.820 -0.061 0.000 1.902 221 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 221 A C 1.927 179.493 177.584 -0.031 0.000 1.181 221 A CA 2.141 54.152 52.037 -0.043 0.000 0.623 221 A CB -0.621 18.353 19.000 -0.043 0.000 0.818 221 A HN 0.354 nan 8.150 nan 0.000 0.443 222 D N -0.944 119.437 120.400 -0.031 0.000 2.178 222 D HA -0.126 4.514 4.640 -0.000 0.000 0.201 222 D C 2.083 178.376 176.300 -0.012 0.000 0.980 222 D CA 1.407 55.396 54.000 -0.019 0.000 0.842 222 D CB -0.204 40.586 40.800 -0.017 0.000 0.948 222 D HN 0.415 nan 8.370 nan 0.000 0.472 223 R N 1.164 121.656 120.500 -0.014 0.000 2.075 223 R HA 0.037 4.377 4.340 -0.000 0.000 0.226 223 R C 1.855 178.152 176.300 -0.005 0.000 1.114 223 R CA 1.143 57.240 56.100 -0.004 0.000 0.972 223 R CB 0.018 30.317 30.300 -0.001 0.000 0.869 223 R HN 0.009 nan 8.270 nan 0.000 0.437 224 K N -0.134 120.260 120.400 -0.011 0.000 2.032 224 K HA -0.094 4.225 4.320 -0.000 0.000 0.209 224 K C 2.077 178.673 176.600 -0.006 0.000 1.048 224 K CA 1.573 57.855 56.287 -0.008 0.000 0.927 224 K CB -0.268 32.224 32.500 -0.014 0.000 0.712 224 K HN 0.248 nan 8.250 nan 0.000 0.441 225 A N 1.389 124.204 122.820 -0.008 0.000 1.877 225 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 225 A C 2.215 179.797 177.584 -0.003 0.000 1.186 225 A CA 2.164 54.197 52.037 -0.006 0.000 0.620 225 A CB -0.875 18.120 19.000 -0.008 0.000 0.822 225 A HN 0.377 nan 8.150 nan 0.000 0.443 226 S N -0.832 114.866 115.700 -0.002 0.000 2.440 226 S HA 0.149 4.619 4.470 -0.000 0.000 0.238 226 S C 1.564 176.165 174.600 0.002 0.000 1.010 226 S CA 1.720 59.920 58.200 0.000 0.000 0.972 226 S CB -0.787 62.414 63.200 0.003 0.000 0.774 226 S HN 2.135 nan 8.310 nan 0.000 0.501 227 G N 1.938 110.739 108.800 0.002 0.000 2.143 227 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.248 227 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.248 227 G C -0.072 174.833 174.900 0.007 0.000 0.991 227 G CA 0.602 45.705 45.100 0.004 0.000 0.689 227 G HN 1.464 nan 8.290 nan 0.000 0.522 228 E N -0.908 119.297 120.200 0.008 0.000 2.173 228 E HA -0.306 4.044 4.350 -0.000 0.000 0.160 228 E C 0.239 176.846 176.600 0.011 0.000 1.581 228 E CA 1.587 57.993 56.400 0.011 0.000 0.618 228 E CB -1.486 28.223 29.700 0.016 0.000 1.049 228 E HN 0.700 nan 8.360 nan 0.000 0.311 229 Q N 1.018 120.822 119.800 0.007 0.000 2.259 229 Q HA 0.201 4.541 4.340 -0.000 0.000 0.228 229 Q C -0.187 175.815 176.000 0.003 0.000 0.909 229 Q CA 0.198 56.003 55.803 0.005 0.000 0.948 229 Q CB 0.700 29.439 28.738 0.002 0.000 1.041 229 Q HN 0.421 nan 8.270 nan 0.000 0.445 230 S N -0.408 115.294 115.700 0.004 0.000 2.801 230 S HA 0.356 4.826 4.470 -0.000 0.000 0.312 230 S C -0.497 174.100 174.600 -0.005 0.000 1.112 230 S CA -0.713 57.486 58.200 -0.002 0.000 0.943 230 S CB 1.049 64.248 63.200 -0.001 0.000 1.269 230 S HN 0.302 nan 8.310 nan 0.000 0.558 231 D N 1.395 121.778 120.400 -0.029 0.000 3.256 231 D HA 0.173 4.813 4.640 -0.000 0.000 0.332 231 D C -1.578 174.608 176.300 -0.191 0.000 1.327 231 D CA -0.225 53.747 54.000 -0.047 0.000 0.735 231 D CB -0.127 40.675 40.800 0.003 0.000 1.280 231 D HN 0.527 nan 8.370 nan 0.000 0.572 232 D N -1.137 119.131 120.400 -0.220 0.000 2.592 232 D HA 0.218 4.858 4.640 -0.000 0.000 0.259 232 D C 1.835 177.930 176.300 -0.342 0.000 1.144 232 D CA -0.729 53.212 54.000 -0.098 0.000 1.080 232 D CB 0.715 41.547 40.800 0.053 0.000 1.225 232 D HN -0.015 nan 8.370 nan 0.000 0.619 233 L N -0.805 120.346 121.223 -0.120 0.000 2.079 233 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 233 L C 2.247 179.123 176.870 0.009 0.000 1.081 233 L CA 0.890 55.673 54.840 -0.094 0.000 0.752 233 L CB -0.542 41.494 42.059 -0.039 0.000 0.896 233 L HN 0.359 nan 8.230 nan 0.000 0.433 234 L N -0.649 120.600 121.223 0.044 0.000 2.093 234 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 234 L C 2.422 179.307 176.870 0.025 0.000 1.085 234 L CA 1.985 56.858 54.840 0.055 0.000 0.755 234 L CB -0.820 41.283 42.059 0.075 0.000 0.904 234 L HN 0.124 nan 8.230 nan 0.000 0.435 235 T N -0.926 113.614 114.554 -0.023 0.000 2.652 235 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 235 T C 1.764 176.541 174.700 0.128 0.000 1.039 235 T CA 1.885 63.992 62.100 0.013 0.000 1.153 235 T CB -0.478 68.373 68.868 -0.029 0.000 0.863 235 T HN 0.448 nan 8.240 nan 0.000 0.428 236 H N 0.581 119.674 119.070 0.038 0.000 2.421 236 H HA 0.150 4.706 4.556 -0.000 0.000 0.298 236 H C 2.206 177.555 175.328 0.036 0.000 1.087 236 H CA 0.859 56.923 56.048 0.027 0.000 1.330 236 H CB -0.504 29.270 29.762 0.019 0.000 1.388 236 H HN 0.357 nan 8.280 nan 0.000 0.526 237 M N -0.427 119.273 119.600 0.166 0.000 2.288 237 M HA -0.039 4.441 4.480 -0.000 0.000 0.266 237 M C 2.001 178.340 176.300 0.066 0.000 1.072 237 M CA 0.900 56.266 55.300 0.111 0.000 1.132 237 M CB 0.010 32.670 32.600 0.100 0.000 1.386 237 M HN 0.150 nan 8.290 nan 0.000 0.432 238 L N -0.025 121.232 121.223 0.058 0.000 2.131 238 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 238 L C 1.760 178.652 176.870 0.037 0.000 1.087 238 L CA 0.749 55.609 54.840 0.034 0.000 0.767 238 L CB -0.402 41.670 42.059 0.023 0.000 0.917 238 L HN 0.311 nan 8.230 nan 0.000 0.441 239 N N -0.176 118.557 118.700 0.054 0.000 2.392 239 N HA 0.037 4.777 4.740 -0.000 0.000 0.177 239 N C 0.887 176.417 175.510 0.033 0.000 1.066 239 N CA 0.419 53.495 53.050 0.044 0.000 0.895 239 N CB -0.028 38.493 38.487 0.057 0.000 0.988 239 N HN 0.153 nan 8.380 nan 0.000 0.457 240 G N 0.738 109.564 108.800 0.043 0.000 2.491 240 G HA2 0.212 4.171 3.960 -0.000 0.000 0.242 240 G HA3 0.212 4.171 3.960 -0.000 0.000 0.242 240 G C -0.258 174.652 174.900 0.016 0.000 1.266 240 G CA -0.137 44.978 45.100 0.025 0.000 0.844 240 G HN 0.106 nan 8.290 nan 0.000 0.571 241 K N 1.161 121.564 120.400 0.005 0.000 2.413 241 K HA 0.286 4.606 4.320 -0.000 0.000 0.257 241 K C -1.014 175.589 176.600 0.005 0.000 0.946 241 K CA -0.778 55.513 56.287 0.006 0.000 0.823 241 K CB 1.495 33.997 32.500 0.004 0.000 1.109 241 K HN 0.428 nan 8.250 nan 0.000 0.427 242 D N 5.802 126.208 120.400 0.010 0.000 2.358 242 D HA 0.106 4.746 4.640 -0.000 0.000 0.258 242 D C -1.768 174.541 176.300 0.015 0.000 1.223 242 D CA -2.078 51.929 54.000 0.012 0.000 0.886 242 D CB 1.445 42.256 40.800 0.019 0.000 1.120 242 D HN 0.309 nan 8.370 nan 0.000 0.482 243 P HA -0.152 nan 4.420 nan 0.000 0.215 243 P C 1.113 178.426 177.300 0.022 0.000 1.157 243 P CA 0.932 64.041 63.100 0.014 0.000 0.868 243 P CB 0.174 31.882 31.700 0.013 0.000 0.788 244 E N -0.590 119.628 120.200 0.030 0.000 2.070 244 E HA -0.195 4.155 4.350 -0.000 0.000 0.197 244 E C 1.364 177.985 176.600 0.035 0.000 1.004 244 E CA 2.320 58.742 56.400 0.038 0.000 0.805 244 E CB -0.215 29.515 29.700 0.051 0.000 0.744 244 E HN 0.302 nan 8.360 nan 0.000 0.451 245 T N -4.477 110.098 114.554 0.034 0.000 3.001 245 T HA 0.314 4.664 4.350 -0.000 0.000 0.251 245 T C 1.462 176.177 174.700 0.026 0.000 1.040 245 T CA 0.460 62.579 62.100 0.033 0.000 0.985 245 T CB 0.833 69.724 68.868 0.038 0.000 1.011 245 T HN 0.341 nan 8.240 nan 0.000 0.509 246 G N 2.422 111.235 108.800 0.022 0.000 2.189 246 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.267 246 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.267 246 G C -0.123 174.787 174.900 0.016 0.000 0.975 246 G CA 0.517 45.627 45.100 0.017 0.000 0.644 246 G HN 0.957 nan 8.290 nan 0.000 0.537 247 E N 0.686 120.898 120.200 0.020 0.000 2.212 247 E HA 0.691 5.041 4.350 -0.000 0.000 0.270 247 E C -2.807 173.805 176.600 0.019 0.000 0.956 247 E CA -2.487 53.925 56.400 0.019 0.000 0.825 247 E CB 2.844 32.558 29.700 0.022 0.000 1.167 247 E HN 0.210 nan 8.360 nan 0.000 0.400 248 P HA 0.237 nan 4.420 nan 0.000 0.284 248 P C -0.188 177.124 177.300 0.021 0.000 1.292 248 P CA -0.689 62.422 63.100 0.019 0.000 0.800 248 P CB 0.761 32.471 31.700 0.017 0.000 1.188 249 L N 0.731 121.968 121.223 0.022 0.000 2.426 249 L HA 0.171 4.511 4.340 -0.000 0.000 0.271 249 L C 0.956 177.833 176.870 0.011 0.000 1.169 249 L CA -0.319 54.534 54.840 0.021 0.000 0.836 249 L CB -0.269 41.805 42.059 0.024 0.000 1.112 249 L HN 0.456 nan 8.230 nan 0.000 0.465 250 D N -0.001 120.405 120.400 0.010 0.000 2.354 250 D HA 0.039 4.679 4.640 -0.000 0.000 0.247 250 D C 0.403 176.686 176.300 -0.027 0.000 1.138 250 D CA -0.582 53.416 54.000 -0.004 0.000 0.958 250 D CB 0.694 41.495 40.800 0.002 0.000 1.144 250 D HN 0.359 nan 8.370 nan 0.000 0.458 251 D N -0.310 120.065 120.400 -0.042 0.000 2.190 251 D HA -0.215 4.425 4.640 -0.000 0.000 0.200 251 D C 1.426 177.655 176.300 -0.119 0.000 0.992 251 D CA 1.258 55.214 54.000 -0.072 0.000 0.854 251 D CB -0.025 40.735 40.800 -0.066 0.000 0.936 251 D HN 0.761 nan 8.370 nan 0.000 0.462 252 E N 0.229 120.360 120.200 -0.115 0.000 2.046 252 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 252 E C 1.939 178.397 176.600 -0.236 0.000 0.982 252 E CA 0.521 56.795 56.400 -0.210 0.000 0.800 252 E CB -0.009 29.607 29.700 -0.139 0.000 0.756 252 E HN 0.151 nan 8.360 nan 0.000 0.449 253 N N 0.847 119.515 118.700 -0.053 0.000 2.166 253 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 253 N C 2.112 177.609 175.510 -0.021 0.000 1.019 253 N CA 1.070 54.149 53.050 0.049 0.000 0.856 253 N CB -0.089 38.441 38.487 0.072 0.000 0.993 253 N HN 0.245 nan 8.380 nan 0.000 0.426 254 I N 1.255 121.785 120.570 -0.068 0.000 2.208 254 I HA -0.283 3.886 4.170 -0.000 0.000 0.245 254 I C 2.791 178.807 176.117 -0.168 0.000 1.097 254 I CA 1.003 62.247 61.300 -0.094 0.000 1.363 254 I CB -0.441 37.512 38.000 -0.078 0.000 1.051 254 I HN 0.269 nan 8.210 nan 0.000 0.413 255 R N 0.687 121.057 120.500 -0.217 0.000 2.075 255 R HA -0.213 4.127 4.340 -0.000 0.000 0.232 255 R C 2.398 178.575 176.300 -0.205 0.000 1.126 255 R CA 1.697 57.635 56.100 -0.271 0.000 0.963 255 R CB -0.447 29.656 30.300 -0.329 0.000 0.858 255 R HN 0.195 nan 8.270 nan 0.000 0.435 256 Y N 1.456 121.689 120.300 -0.111 0.000 2.333 256 Y HA -0.134 4.416 4.550 -0.000 0.000 0.290 256 Y C 2.523 178.308 175.900 -0.190 0.000 1.144 256 Y CA 0.935 58.972 58.100 -0.106 0.000 1.228 256 Y CB -0.242 38.176 38.460 -0.070 0.000 0.985 256 Y HN 0.177 nan 8.280 nan 0.000 0.542 257 Q N -0.404 119.314 119.800 -0.138 0.000 2.123 257 Q HA -0.073 4.267 4.340 -0.000 0.000 0.199 257 Q C 2.500 177.969 176.000 -0.885 0.000 0.966 257 Q CA 1.049 56.577 55.803 -0.458 0.000 0.845 257 Q CB -0.431 28.078 28.738 -0.382 0.000 0.907 257 Q HN 0.517 nan 8.270 nan 0.000 0.439 258 I N 0.516 120.760 120.570 -0.545 0.000 2.252 258 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 258 I C 2.194 178.189 176.117 -0.202 0.000 1.102 258 I CA 0.858 61.888 61.300 -0.451 0.000 1.385 258 I CB -0.153 37.525 38.000 -0.536 0.000 1.064 258 I HN 0.088 nan 8.210 nan 0.000 0.414 259 I N 0.038 120.565 120.570 -0.072 0.000 2.286 259 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 259 I C 2.455 178.642 176.117 0.116 0.000 1.115 259 I CA 1.479 62.871 61.300 0.154 0.000 1.392 259 I CB -0.456 37.690 38.000 0.244 0.000 1.065 259 I HN 0.226 nan 8.210 nan 0.000 0.418 260 T N 0.847 115.392 114.554 -0.014 0.000 2.708 260 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 260 T C 1.632 176.395 174.700 0.105 0.000 1.037 260 T CA 1.402 63.514 62.100 0.020 0.000 1.146 260 T CB -0.296 68.550 68.868 -0.037 0.000 0.865 260 T HN 0.097 nan 8.240 nan 0.000 0.435 261 F N 1.305 121.303 119.950 0.080 0.000 2.126 261 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 261 F C 2.141 177.979 175.800 0.064 0.000 1.096 261 F CA 0.221 58.249 58.000 0.046 0.000 1.255 261 F CB -1.380 37.661 39.000 0.068 0.000 0.997 261 F HN 0.123 nan 8.300 nan 0.000 0.479 262 L N 0.089 121.493 121.223 0.303 0.000 2.056 262 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 262 L C 2.510 179.437 176.870 0.095 0.000 1.078 262 L CA 1.286 56.254 54.840 0.213 0.000 0.749 262 L CB -0.697 41.525 42.059 0.271 0.000 0.901 262 L HN 0.184 nan 8.230 nan 0.000 0.433 263 I N -2.861 117.775 120.570 0.110 0.000 2.406 263 I HA -0.049 4.121 4.170 -0.000 0.000 0.249 263 I C 2.526 178.773 176.117 0.216 0.000 1.122 263 I CA 1.245 62.630 61.300 0.142 0.000 1.431 263 I CB -0.699 37.441 38.000 0.234 0.000 1.087 263 I HN 0.058 nan 8.210 nan 0.000 0.424 264 A N 1.610 124.460 122.820 0.050 0.000 1.969 264 A HA 0.058 4.378 4.320 -0.000 0.000 0.218 264 A C 2.263 179.827 177.584 -0.033 0.000 1.169 264 A CA 1.678 53.587 52.037 -0.212 0.000 0.635 264 A CB -1.125 17.661 19.000 -0.356 0.000 0.810 264 A HN 0.592 nan 8.150 nan 0.000 0.445 265 G N -1.774 107.097 108.800 0.118 0.000 2.939 265 G HA2 0.122 4.082 3.960 -0.000 0.000 0.216 265 G HA3 0.122 4.082 3.960 -0.000 0.000 0.216 265 G C 1.283 176.317 174.900 0.225 0.000 1.125 265 G CA 0.779 45.965 45.100 0.143 0.000 0.766 265 G HN 0.744 nan 8.290 nan 0.000 0.541 266 H N 0.452 119.572 119.070 0.084 0.000 2.384 266 H HA 0.166 4.722 4.556 -0.000 0.000 0.300 266 H C 1.383 176.758 175.328 0.080 0.000 1.057 266 H CA 1.215 57.316 56.048 0.087 0.000 1.370 266 H CB -0.145 29.662 29.762 0.075 0.000 1.417 266 H HN 0.316 nan 8.280 nan 0.000 0.527 267 E N 0.742 120.607 120.200 -0.558 0.000 2.447 267 E HA 0.006 4.356 4.350 -0.000 0.000 0.195 267 E C 1.927 178.469 176.600 -0.096 0.000 1.028 267 E CA 0.819 56.998 56.400 -0.368 0.000 0.876 267 E CB 0.338 29.766 29.700 -0.453 0.000 0.885 267 E HN 0.720 nan 8.360 nan 0.000 0.500 268 T N -0.662 113.876 114.554 -0.027 0.000 2.737 268 T HA -0.107 4.243 4.350 -0.000 0.000 0.265 268 T C 2.133 176.887 174.700 0.091 0.000 1.038 268 T CA 1.566 63.691 62.100 0.042 0.000 1.144 268 T CB -0.604 68.289 68.868 0.042 0.000 0.866 268 T HN -0.071 nan 8.240 nan 0.000 0.434 269 T N 1.785 116.407 114.554 0.114 0.000 2.812 269 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 269 T C 2.318 177.095 174.700 0.128 0.000 1.042 269 T CA 1.226 63.419 62.100 0.155 0.000 1.140 269 T CB -0.627 68.358 68.868 0.195 0.000 0.870 269 T HN 0.472 nan 8.240 nan 0.000 0.445 270 S N 1.010 116.760 115.700 0.084 0.000 2.359 270 S HA -0.131 4.339 4.470 -0.000 0.000 0.223 270 S C 2.410 177.047 174.600 0.061 0.000 1.039 270 S CA 1.926 60.161 58.200 0.058 0.000 1.042 270 S CB -0.993 62.203 63.200 -0.006 0.000 0.915 270 S HN 0.605 nan 8.310 nan 0.000 0.439 271 G N 1.297 110.134 108.800 0.062 0.000 2.408 271 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 271 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 271 G C 1.393 176.438 174.900 0.242 0.000 1.150 271 G CA 1.046 46.199 45.100 0.089 0.000 0.776 271 G HN 0.522 nan 8.290 nan 0.000 0.542 272 L N 0.437 121.807 121.223 0.245 0.000 1.994 272 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 272 L C 2.648 179.672 176.870 0.256 0.000 1.071 272 L CA 1.567 56.575 54.840 0.279 0.000 0.745 272 L CB -0.687 41.499 42.059 0.210 0.000 0.892 272 L HN 0.193 nan 8.230 nan 0.000 0.431 273 L N -0.840 120.495 121.223 0.187 0.000 2.083 273 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 273 L C 2.443 179.413 176.870 0.166 0.000 1.083 273 L CA 1.448 56.388 54.840 0.167 0.000 0.752 273 L CB -0.492 41.649 42.059 0.136 0.000 0.899 273 L HN 0.293 nan 8.230 nan 0.000 0.433 274 S N -0.781 114.994 115.700 0.125 0.000 2.371 274 S HA -0.084 4.386 4.470 -0.000 0.000 0.224 274 S C 1.749 176.367 174.600 0.031 0.000 1.029 274 S CA 0.985 59.242 58.200 0.094 0.000 0.978 274 S CB -0.333 62.842 63.200 -0.042 0.000 0.833 274 S HN 0.214 nan 8.310 nan 0.000 0.466 275 F N 2.188 122.181 119.950 0.071 0.000 2.186 275 F HA 0.005 4.532 4.527 -0.000 0.000 0.299 275 F C 2.543 178.437 175.800 0.157 0.000 1.090 275 F CA 0.505 58.523 58.000 0.030 0.000 1.307 275 F CB -0.890 38.221 39.000 0.184 0.000 1.019 275 F HN 0.168 nan 8.300 nan 0.000 0.489 276 A N -0.167 122.892 122.820 0.398 0.000 1.883 276 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 276 A C 2.133 179.830 177.584 0.187 0.000 1.186 276 A CA 1.735 53.971 52.037 0.331 0.000 0.624 276 A CB -1.155 18.004 19.000 0.264 0.000 0.822 276 A HN 0.330 nan 8.150 nan 0.000 0.444 277 L N -1.645 119.673 121.223 0.158 0.000 2.093 277 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 277 L C 2.277 179.201 176.870 0.089 0.000 1.085 277 L CA 2.172 57.075 54.840 0.104 0.000 0.755 277 L CB -0.859 41.267 42.059 0.112 0.000 0.904 277 L HN 0.550 nan 8.230 nan 0.000 0.435 278 Y N -0.508 119.639 120.300 -0.254 0.000 2.081 278 Y HA -0.329 4.221 4.550 -0.000 0.000 0.280 278 Y C 2.115 177.733 175.900 -0.470 0.000 1.163 278 Y CA 2.128 59.772 58.100 -0.760 0.000 1.135 278 Y CB -0.685 37.111 38.460 -1.107 0.000 0.970 278 Y HN 0.190 nan 8.280 nan 0.000 0.498 279 F N -0.129 119.565 119.950 -0.426 0.000 2.293 279 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 279 F C 2.224 177.632 175.800 -0.655 0.000 1.086 279 F CA 1.108 58.615 58.000 -0.821 0.000 1.375 279 F CB -0.695 37.361 39.000 -1.574 0.000 1.045 279 F HN 0.101 nan 8.300 nan 0.000 0.516 280 L N -0.279 120.831 121.223 -0.189 0.000 2.056 280 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 280 L C 2.426 179.283 176.870 -0.021 0.000 1.078 280 L CA 1.281 56.111 54.840 -0.018 0.000 0.749 280 L CB -0.749 41.347 42.059 0.062 0.000 0.901 280 L HN 0.130 nan 8.230 nan 0.000 0.433 281 V N -4.256 115.621 119.914 -0.061 0.000 3.041 281 V HA -0.025 4.095 4.120 -0.000 0.000 0.260 281 V C 2.152 178.189 176.094 -0.095 0.000 1.105 281 V CA 0.890 63.181 62.300 -0.016 0.000 1.125 281 V CB -0.480 31.387 31.823 0.072 0.000 0.730 281 V HN 0.241 nan 8.190 nan 0.000 0.479 282 K N 1.181 121.438 120.400 -0.238 0.000 2.361 282 K HA 0.199 4.519 4.320 -0.000 0.000 0.196 282 K C 0.410 176.958 176.600 -0.087 0.000 1.039 282 K CA 0.383 56.526 56.287 -0.240 0.000 1.001 282 K CB -0.131 32.077 32.500 -0.486 0.000 0.795 282 K HN 0.565 nan 8.250 nan 0.000 0.495 283 N N 1.000 119.675 118.700 -0.042 0.000 2.791 283 N HA 0.152 4.892 4.740 -0.000 0.000 0.265 283 N C -2.421 173.137 175.510 0.080 0.000 1.580 283 N CA -1.102 51.991 53.050 0.071 0.000 0.809 283 N CB 1.731 40.333 38.487 0.193 0.000 1.178 283 N HN -0.157 nan 8.380 nan 0.000 0.499 284 P HA -0.127 nan 4.420 nan 0.000 0.218 284 P C 1.150 178.429 177.300 -0.035 0.000 1.148 284 P CA 1.271 64.339 63.100 -0.052 0.000 0.822 284 P CB 0.253 31.846 31.700 -0.178 0.000 0.784 285 H N -1.314 117.823 119.070 0.112 0.000 2.462 285 H HA 0.019 4.575 4.556 -0.000 0.000 0.292 285 H C 1.896 177.309 175.328 0.142 0.000 1.049 285 H CA 0.861 56.972 56.048 0.105 0.000 1.334 285 H CB -0.719 29.095 29.762 0.087 0.000 1.404 285 H HN 0.006 nan 8.280 nan 0.000 0.544 286 V N 1.083 121.178 119.914 0.302 0.000 2.379 286 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 286 V C 2.745 179.047 176.094 0.347 0.000 1.044 286 V CA 0.971 63.493 62.300 0.369 0.000 1.036 286 V CB -0.662 31.440 31.823 0.465 0.000 0.664 286 V HN 0.219 nan 8.190 nan 0.000 0.453 287 L N -0.042 121.336 121.223 0.259 0.000 1.997 287 L HA -0.339 4.001 4.340 -0.000 0.000 0.216 287 L C 2.719 179.715 176.870 0.210 0.000 1.074 287 L CA 2.458 57.434 54.840 0.225 0.000 0.763 287 L CB -0.334 41.828 42.059 0.172 0.000 0.890 287 L HN 0.419 nan 8.230 nan 0.000 0.434 288 Q N -0.226 119.678 119.800 0.173 0.000 2.135 288 Q HA -0.319 4.021 4.340 -0.000 0.000 0.204 288 Q C 2.207 178.272 176.000 0.108 0.000 0.981 288 Q CA 2.234 58.120 55.803 0.138 0.000 0.856 288 Q CB -0.052 28.770 28.738 0.141 0.000 0.902 288 Q HN 0.433 nan 8.270 nan 0.000 0.425 289 K N -0.687 119.773 120.400 0.100 0.000 2.103 289 K HA -0.045 4.275 4.320 -0.000 0.000 0.204 289 K C 1.845 178.438 176.600 -0.011 0.000 1.052 289 K CA 1.003 57.259 56.287 -0.052 0.000 0.945 289 K CB -0.139 32.216 32.500 -0.242 0.000 0.722 289 K HN 0.271 nan 8.250 nan 0.000 0.443 290 A N 0.831 123.797 122.820 0.243 0.000 1.897 290 A HA -0.007 4.313 4.320 -0.000 0.000 0.215 290 A C 2.304 180.012 177.584 0.208 0.000 1.181 290 A CA 1.554 53.803 52.037 0.354 0.000 0.620 290 A CB -0.769 18.471 19.000 0.399 0.000 0.821 290 A HN 0.422 nan 8.150 nan 0.000 0.443 291 A N 0.005 122.934 122.820 0.180 0.000 1.902 291 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 291 A C 1.878 179.516 177.584 0.090 0.000 1.181 291 A CA 1.740 53.864 52.037 0.145 0.000 0.623 291 A CB -0.559 18.532 19.000 0.152 0.000 0.818 291 A HN 0.613 nan 8.150 nan 0.000 0.443 292 E N -0.691 119.549 120.200 0.066 0.000 2.153 292 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 292 E C 2.041 178.658 176.600 0.028 0.000 0.988 292 E CA 1.280 57.698 56.400 0.031 0.000 0.811 292 E CB -0.078 29.625 29.700 0.005 0.000 0.746 292 E HN 0.851 nan 8.360 nan 0.000 0.466 293 E N 0.440 120.668 120.200 0.046 0.000 2.158 293 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 293 E C 1.973 178.609 176.600 0.061 0.000 0.982 293 E CA 0.745 57.177 56.400 0.053 0.000 0.823 293 E CB 0.008 29.762 29.700 0.090 0.000 0.766 293 E HN 0.203 nan 8.360 nan 0.000 0.468 294 A N 1.374 124.242 122.820 0.079 0.000 1.930 294 A HA -0.006 4.313 4.320 -0.000 0.000 0.217 294 A C 2.392 179.993 177.584 0.027 0.000 1.175 294 A CA 1.512 53.589 52.037 0.066 0.000 0.627 294 A CB -0.626 18.431 19.000 0.095 0.000 0.815 294 A HN 0.398 nan 8.150 nan 0.000 0.443 295 A N -0.301 122.530 122.820 0.018 0.000 1.969 295 A HA -0.128 4.191 4.320 -0.000 0.000 0.218 295 A C 2.223 179.802 177.584 -0.008 0.000 1.169 295 A CA 1.646 53.677 52.037 -0.011 0.000 0.635 295 A CB -0.411 18.584 19.000 -0.008 0.000 0.810 295 A HN 0.578 nan 8.150 nan 0.000 0.445 296 R N -0.717 119.786 120.500 0.005 0.000 2.100 296 R HA 0.015 4.355 4.340 -0.000 0.000 0.220 296 R C 1.543 177.846 176.300 0.006 0.000 1.091 296 R CA 1.493 57.595 56.100 0.003 0.000 0.986 296 R CB -0.106 30.198 30.300 0.006 0.000 0.888 296 R HN 0.278 nan 8.270 nan 0.000 0.444 297 V N 1.162 121.084 119.914 0.013 0.000 2.599 297 V HA 0.036 4.156 4.120 -0.000 0.000 0.245 297 V C 1.105 177.207 176.094 0.014 0.000 1.046 297 V CA 0.695 63.004 62.300 0.015 0.000 1.065 297 V CB 0.060 31.897 31.823 0.024 0.000 0.703 297 V HN 0.192 nan 8.190 nan 0.000 0.464 298 L N 2.114 123.344 121.223 0.011 0.000 2.358 298 L HA 0.194 4.534 4.340 -0.000 0.000 0.274 298 L C 0.879 177.748 176.870 -0.002 0.000 1.136 298 L CA -0.096 54.752 54.840 0.013 0.000 0.970 298 L CB 0.708 42.777 42.059 0.017 0.000 1.314 298 L HN 0.234 nan 8.230 nan 0.000 0.427 299 V N -3.124 116.793 119.914 0.006 0.000 3.660 299 V HA 0.231 4.351 4.120 -0.000 0.000 0.276 299 V C 0.445 176.542 176.094 0.005 0.000 1.317 299 V CA -0.018 62.281 62.300 -0.002 0.000 1.097 299 V CB -0.133 31.690 31.823 0.000 0.000 0.863 299 V HN 0.446 nan 8.190 nan 0.000 0.438 300 D N 1.210 121.621 120.400 0.018 0.000 2.326 300 D HA 0.404 5.044 4.640 -0.000 0.000 0.251 300 D C -1.906 174.417 176.300 0.038 0.000 1.023 300 D CA -1.969 52.047 54.000 0.027 0.000 0.966 300 D CB 1.489 42.310 40.800 0.035 0.000 1.156 300 D HN -0.045 nan 8.370 nan 0.000 0.494 301 P HA -0.112 nan 4.420 nan 0.000 0.216 301 P C 0.236 177.584 177.300 0.080 0.000 1.150 301 P CA 1.146 64.281 63.100 0.058 0.000 0.843 301 P CB 0.242 31.966 31.700 0.039 0.000 0.787 302 V N -6.644 113.312 119.914 0.070 0.000 2.789 302 V HA 0.622 4.741 4.120 -0.000 0.000 0.311 302 V C -3.013 173.143 176.094 0.104 0.000 1.073 302 V CA -3.241 59.108 62.300 0.081 0.000 0.921 302 V CB 1.597 33.456 31.823 0.061 0.000 1.009 302 V HN -0.291 nan 8.190 nan 0.000 0.426 303 P HA 0.237 nan 4.420 nan 0.000 0.266 303 P C 0.046 177.494 177.300 0.246 0.000 1.195 303 P CA 0.413 63.603 63.100 0.151 0.000 0.768 303 P CB 0.547 32.338 31.700 0.152 0.000 0.838 304 S N 2.303 118.089 115.700 0.143 0.000 2.713 304 S HA 0.212 4.682 4.470 -0.000 0.000 0.283 304 S C 0.886 175.397 174.600 -0.147 0.000 1.161 304 S CA -0.376 57.854 58.200 0.051 0.000 0.999 304 S CB 0.302 63.514 63.200 0.020 0.000 1.039 304 S HN 0.472 nan 8.310 nan 0.000 0.548 305 Y N 1.277 121.207 120.300 -0.617 0.000 2.145 305 Y HA -0.091 4.459 4.550 -0.000 0.000 0.286 305 Y C 2.499 178.334 175.900 -0.110 0.000 1.145 305 Y CA 2.234 60.041 58.100 -0.490 0.000 1.148 305 Y CB -0.236 37.945 38.460 -0.465 0.000 0.981 305 Y HN 0.796 nan 8.280 nan 0.000 0.507 306 K N 0.206 120.589 120.400 -0.027 0.000 2.097 306 K HA -0.254 4.066 4.320 -0.000 0.000 0.206 306 K C 1.961 178.514 176.600 -0.077 0.000 1.049 306 K CA 2.043 58.301 56.287 -0.048 0.000 0.933 306 K CB -0.168 32.348 32.500 0.028 0.000 0.717 306 K HN 0.545 nan 8.250 nan 0.000 0.442 307 Q N -0.057 119.717 119.800 -0.045 0.000 2.119 307 Q HA -0.090 4.249 4.340 -0.000 0.000 0.201 307 Q C 2.069 178.048 176.000 -0.035 0.000 0.972 307 Q CA 1.170 56.961 55.803 -0.020 0.000 0.847 307 Q CB 0.134 28.880 28.738 0.014 0.000 0.903 307 Q HN 0.106 nan 8.270 nan 0.000 0.433 308 V N 1.446 121.323 119.914 -0.062 0.000 2.407 308 V HA -0.229 3.891 4.120 -0.000 0.000 0.248 308 V C 1.942 177.971 176.094 -0.109 0.000 1.055 308 V CA 1.547 63.796 62.300 -0.084 0.000 1.049 308 V CB -0.347 31.397 31.823 -0.132 0.000 0.662 308 V HN 0.287 nan 8.190 nan 0.000 0.455 309 K N -0.157 120.137 120.400 -0.177 0.000 2.365 309 K HA -0.096 4.223 4.320 -0.000 0.000 0.199 309 K C 1.799 178.365 176.600 -0.057 0.000 1.045 309 K CA 0.809 57.013 56.287 -0.139 0.000 0.962 309 K CB -0.090 32.282 32.500 -0.214 0.000 0.759 309 K HN 0.553 nan 8.250 nan 0.000 0.469 310 Q N 0.328 120.104 119.800 -0.040 0.000 2.403 310 Q HA 0.134 4.473 4.340 -0.000 0.000 0.203 310 Q C 0.277 176.288 176.000 0.018 0.000 0.932 310 Q CA -0.033 55.768 55.803 -0.004 0.000 0.945 310 Q CB 0.238 28.976 28.738 0.000 0.000 1.045 310 Q HN 0.187 nan 8.270 nan 0.000 0.511 311 L N 1.548 122.780 121.223 0.014 0.000 2.437 311 L HA 0.064 4.403 4.340 -0.000 0.000 0.243 311 L C 0.981 177.887 176.870 0.061 0.000 1.346 311 L CA -0.404 54.462 54.840 0.045 0.000 1.233 311 L CB -0.030 42.051 42.059 0.035 0.000 1.436 311 L HN -0.052 nan 8.230 nan 0.000 0.416 312 K N 0.354 120.799 120.400 0.076 0.000 2.002 312 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 312 K C 1.765 178.433 176.600 0.114 0.000 1.048 312 K CA 1.585 57.922 56.287 0.083 0.000 0.930 312 K CB -0.386 32.168 32.500 0.090 0.000 0.714 312 K HN 0.362 nan 8.250 nan 0.000 0.438 313 Y N 1.571 121.892 120.300 0.034 0.000 2.242 313 Y HA -0.184 4.366 4.550 -0.000 0.000 0.291 313 Y C 2.138 178.070 175.900 0.052 0.000 1.137 313 Y CA 0.845 58.971 58.100 0.042 0.000 1.181 313 Y CB -0.229 38.261 38.460 0.050 0.000 0.989 313 Y HN -0.224 nan 8.280 nan 0.000 0.527 314 V N -0.215 119.764 119.914 0.108 0.000 2.324 314 V HA -0.338 3.782 4.120 -0.000 0.000 0.250 314 V C 2.572 178.652 176.094 -0.024 0.000 1.060 314 V CA 2.007 64.338 62.300 0.051 0.000 1.042 314 V CB -1.535 30.342 31.823 0.089 0.000 0.650 314 V HN 0.622 nan 8.190 nan 0.000 0.450 315 G N -1.011 107.774 108.800 -0.024 0.000 2.418 315 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.217 315 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.217 315 G C 1.623 176.441 174.900 -0.137 0.000 1.158 315 G CA 1.174 46.248 45.100 -0.043 0.000 0.771 315 G HN 0.438 nan 8.290 nan 0.000 0.545 316 M N -0.086 119.396 119.600 -0.196 0.000 2.099 316 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 316 M C 2.718 178.792 176.300 -0.377 0.000 1.067 316 M CA 0.879 56.003 55.300 -0.294 0.000 1.124 316 M CB -0.322 32.118 32.600 -0.265 0.000 1.353 316 M HN 0.097 nan 8.290 nan 0.000 0.410 317 V N 0.903 120.589 119.914 -0.380 0.000 2.282 317 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 317 V C 2.247 178.330 176.094 -0.019 0.000 1.057 317 V CA 1.903 64.108 62.300 -0.159 0.000 1.032 317 V CB -0.784 31.034 31.823 -0.008 0.000 0.645 317 V HN 0.476 nan 8.190 nan 0.000 0.447 318 L N -0.378 120.822 121.223 -0.038 0.000 2.109 318 L HA -0.141 4.199 4.340 -0.000 0.000 0.207 318 L C 2.219 179.067 176.870 -0.038 0.000 1.086 318 L CA 1.802 56.665 54.840 0.039 0.000 0.760 318 L CB -0.705 41.395 42.059 0.068 0.000 0.910 318 L HN 0.411 nan 8.230 nan 0.000 0.437 319 N N -0.389 118.146 118.700 -0.275 0.000 2.244 319 N HA -0.212 4.528 4.740 -0.000 0.000 0.183 319 N C 1.753 176.920 175.510 -0.572 0.000 1.016 319 N CA 0.699 53.443 53.050 -0.511 0.000 0.866 319 N CB 0.102 37.780 38.487 -1.348 0.000 0.980 319 N HN 0.230 nan 8.380 nan 0.000 0.430 320 E N 1.035 120.925 120.200 -0.517 0.000 2.208 320 E HA 0.022 4.371 4.350 -0.000 0.000 0.193 320 E C 1.696 178.241 176.600 -0.092 0.000 0.988 320 E CA 0.841 57.073 56.400 -0.281 0.000 0.828 320 E CB -0.039 29.368 29.700 -0.488 0.000 0.763 320 E HN 0.333 nan 8.360 nan 0.000 0.478 321 A N 0.303 123.201 122.820 0.130 0.000 1.968 321 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 321 A C 2.140 179.832 177.584 0.180 0.000 1.169 321 A CA 0.839 53.055 52.037 0.298 0.000 0.638 321 A CB -0.491 18.817 19.000 0.515 0.000 0.812 321 A HN 0.336 nan 8.150 nan 0.000 0.446 322 L N -1.033 120.268 121.223 0.129 0.000 2.201 322 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 322 L C 2.732 179.684 176.870 0.137 0.000 1.105 322 L CA 1.213 56.109 54.840 0.093 0.000 0.775 322 L CB -0.386 41.704 42.059 0.051 0.000 0.913 322 L HN 0.468 nan 8.230 nan 0.000 0.440 323 R N 0.542 121.135 120.500 0.156 0.000 2.062 323 R HA -0.151 4.189 4.340 -0.000 0.000 0.231 323 R C 2.294 178.537 176.300 -0.095 0.000 1.136 323 R CA 1.420 57.527 56.100 0.011 0.000 0.948 323 R CB -0.124 30.025 30.300 -0.253 0.000 0.845 323 R HN 0.280 nan 8.270 nan 0.000 0.430 324 L N -1.399 119.678 121.223 -0.243 0.000 2.095 324 L HA -0.054 4.286 4.340 -0.000 0.000 0.204 324 L C 0.490 176.872 176.870 -0.813 0.000 1.080 324 L CA 0.995 55.500 54.840 -0.559 0.000 0.759 324 L CB 0.028 41.772 42.059 -0.525 0.000 0.914 324 L HN 0.258 nan 8.230 nan 0.000 0.439 325 W N 0.052 121.267 121.300 -0.141 0.000 1.809 325 W HA 0.270 4.930 4.660 -0.000 0.000 0.298 325 W C -2.272 174.074 176.519 -0.289 0.000 0.905 325 W CA -1.822 55.296 57.345 -0.378 0.000 1.872 325 W CB 0.537 29.358 29.460 -1.065 0.000 2.092 325 W HN -0.192 nan 8.180 nan 0.000 0.403 326 P HA -0.016 nan 4.420 nan 0.000 0.267 326 P C 1.054 178.372 177.300 0.029 0.000 1.209 326 P CA 0.726 63.823 63.100 -0.004 0.000 0.763 326 P CB 1.254 32.918 31.700 -0.060 0.000 0.816 327 T N -0.328 114.249 114.554 0.037 0.000 3.118 327 T HA 0.132 4.482 4.350 -0.000 0.000 0.260 327 T C 0.980 175.722 174.700 0.070 0.000 1.139 327 T CA 0.299 62.464 62.100 0.107 0.000 1.085 327 T CB -0.093 68.865 68.868 0.151 0.000 0.934 327 T HN 0.443 nan 8.240 nan 0.000 0.518 328 A N 3.003 125.838 122.820 0.025 0.000 2.937 328 A HA 0.580 4.900 4.320 -0.000 0.000 0.338 328 A C -1.490 176.132 177.584 0.064 0.000 1.273 328 A CA -1.488 50.581 52.037 0.053 0.000 0.937 328 A CB 0.760 19.783 19.000 0.039 0.000 1.133 328 A HN 0.234 nan 8.150 nan 0.000 0.491 329 P HA 0.184 nan 4.420 nan 0.000 0.241 329 P C 0.286 177.607 177.300 0.036 0.000 1.191 329 P CA 0.974 64.103 63.100 0.048 0.000 0.771 329 P CB 0.394 32.144 31.700 0.083 0.000 0.929 330 A N 0.046 122.912 122.820 0.076 0.000 2.549 330 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 330 A C -1.215 176.452 177.584 0.137 0.000 1.061 330 A CA -0.628 51.424 52.037 0.024 0.000 0.690 330 A CB 1.044 20.042 19.000 -0.003 0.000 1.287 330 A HN 0.070 nan 8.150 nan 0.000 0.402 331 F N -0.366 119.563 119.950 -0.036 0.000 2.613 331 F HA 0.886 5.413 4.527 -0.000 0.000 0.314 331 F C -0.207 175.550 175.800 -0.071 0.000 1.075 331 F CA -0.939 57.042 58.000 -0.031 0.000 0.945 331 F CB 1.535 40.532 39.000 -0.005 0.000 1.310 331 F HN 0.464 nan 8.300 nan 0.000 0.467 332 S N 1.661 117.422 115.700 0.101 0.000 2.578 332 S HA 0.894 5.363 4.470 -0.000 0.000 0.301 332 S C -1.077 173.572 174.600 0.081 0.000 1.091 332 S CA -0.601 57.584 58.200 -0.023 0.000 1.032 332 S CB 1.094 64.267 63.200 -0.045 0.000 1.064 332 S HN 0.665 nan 8.310 nan 0.000 0.508 333 L N 3.181 124.421 121.223 0.028 0.000 2.376 333 L HA 0.656 4.996 4.340 -0.000 0.000 0.258 333 L C -1.487 175.487 176.870 0.173 0.000 1.013 333 L CA -1.094 53.799 54.840 0.088 0.000 0.822 333 L CB 2.003 44.047 42.059 -0.025 0.000 1.388 333 L HN 0.809 nan 8.230 nan 0.000 0.413 334 Y N 0.054 120.438 120.300 0.141 0.000 2.512 334 Y HA 0.861 5.411 4.550 -0.000 0.000 0.348 334 Y C -0.359 175.681 175.900 0.233 0.000 0.990 334 Y CA -1.459 56.727 58.100 0.143 0.000 1.033 334 Y CB 1.403 39.926 38.460 0.106 0.000 1.259 334 Y HN 0.575 nan 8.280 nan 0.000 0.461 335 A N 3.968 126.952 122.820 0.274 0.000 2.454 335 A HA 0.280 4.600 4.320 -0.000 0.000 0.260 335 A C 0.679 178.241 177.584 -0.037 0.000 1.106 335 A CA -0.610 51.479 52.037 0.086 0.000 0.780 335 A CB 0.324 19.412 19.000 0.145 0.000 1.044 335 A HN 0.925 nan 8.150 nan 0.000 0.498 336 K N 0.766 121.007 120.400 -0.266 0.000 2.228 336 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 336 K C -0.079 176.483 176.600 -0.064 0.000 1.051 336 K CA 0.851 57.059 56.287 -0.132 0.000 0.960 336 K CB 0.173 32.544 32.500 -0.215 0.000 0.743 336 K HN 0.701 nan 8.250 nan 0.000 0.458 337 E N 0.664 120.790 120.200 -0.122 0.000 2.408 337 E HA 0.147 4.497 4.350 -0.000 0.000 0.275 337 E C -1.347 175.207 176.600 -0.077 0.000 0.935 337 E CA -0.698 55.651 56.400 -0.085 0.000 0.775 337 E CB 1.318 30.958 29.700 -0.099 0.000 1.277 337 E HN 0.020 nan 8.360 nan 0.000 0.455 338 D N 0.968 121.343 120.400 -0.041 0.000 2.525 338 D HA 0.166 4.806 4.640 -0.000 0.000 0.235 338 D C 0.302 176.579 176.300 -0.037 0.000 1.137 338 D CA 0.818 54.805 54.000 -0.022 0.000 0.868 338 D CB 0.941 41.735 40.800 -0.010 0.000 1.180 338 D HN 0.252 nan 8.370 nan 0.000 0.465 339 T N -0.364 114.184 114.554 -0.010 0.000 2.711 339 T HA 0.444 4.793 4.350 -0.000 0.000 0.302 339 T C -1.616 173.115 174.700 0.051 0.000 1.373 339 T CA -0.639 61.457 62.100 -0.008 0.000 1.000 339 T CB 1.274 70.097 68.868 -0.075 0.000 1.483 339 T HN 0.072 nan 8.240 nan 0.000 0.499 340 V N 2.240 122.192 119.914 0.063 0.000 2.604 340 V HA 0.722 4.842 4.120 -0.000 0.000 0.305 340 V C -0.845 175.329 176.094 0.132 0.000 1.043 340 V CA -0.806 61.546 62.300 0.086 0.000 0.888 340 V CB 1.612 33.459 31.823 0.040 0.000 0.995 340 V HN 0.771 nan 8.190 nan 0.000 0.429 341 L N 3.481 124.806 121.223 0.169 0.000 2.313 341 L HA 0.793 5.133 4.340 -0.000 0.000 0.283 341 L C 0.965 177.951 176.870 0.193 0.000 1.013 341 L CA 1.114 56.069 54.840 0.192 0.000 0.816 341 L CB 1.255 43.428 42.059 0.191 0.000 1.236 341 L HN 0.944 nan 8.230 nan 0.000 0.419 342 G N 3.119 111.997 108.800 0.130 0.000 2.203 342 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.263 342 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.263 342 G C 0.998 175.897 174.900 -0.001 0.000 1.012 342 G CA 0.648 45.801 45.100 0.089 0.000 0.749 342 G HN 1.873 nan 8.290 nan 0.000 0.512 343 G N -0.853 107.945 108.800 -0.003 0.000 2.168 343 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.257 343 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.257 343 G C 0.565 175.398 174.900 -0.112 0.000 0.997 343 G CA 1.555 46.631 45.100 -0.039 0.000 0.708 343 G HN 1.385 nan 8.290 nan 0.000 0.520 344 E N -1.930 118.145 120.200 -0.209 0.000 2.555 344 E HA 0.235 4.584 4.350 -0.000 0.000 0.209 344 E C -0.492 175.829 176.600 -0.465 0.000 0.847 344 E CA -0.355 55.784 56.400 -0.435 0.000 1.438 344 E CB 0.645 29.882 29.700 -0.772 0.000 1.420 344 E HN 0.386 nan 8.360 nan 0.000 0.755 345 Y N 2.062 122.374 120.300 0.020 0.000 2.478 345 Y HA 0.424 4.974 4.550 -0.000 0.000 0.329 345 Y C -2.423 173.494 175.900 0.028 0.000 0.967 345 Y CA -3.184 54.929 58.100 0.021 0.000 1.255 345 Y CB 1.023 39.491 38.460 0.013 0.000 1.103 345 Y HN -0.015 nan 8.280 nan 0.000 0.497 346 P HA 0.214 nan 4.420 nan 0.000 0.271 346 P C -0.718 176.646 177.300 0.105 0.000 1.216 346 P CA 0.085 63.244 63.100 0.099 0.000 0.771 346 P CB 0.926 32.664 31.700 0.065 0.000 0.864 347 L N 2.283 123.562 121.223 0.093 0.000 2.370 347 L HA 0.490 4.830 4.340 -0.000 0.000 0.266 347 L C 0.524 177.430 176.870 0.060 0.000 1.002 347 L CA -0.863 54.029 54.840 0.088 0.000 0.818 347 L CB 2.056 44.194 42.059 0.132 0.000 1.325 347 L HN 0.298 nan 8.230 nan 0.000 0.418 348 E N 1.114 121.345 120.200 0.051 0.000 2.227 348 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 348 E C -0.908 175.717 176.600 0.041 0.000 0.990 348 E CA -1.108 55.313 56.400 0.034 0.000 0.856 348 E CB 1.789 31.503 29.700 0.025 0.000 1.159 348 E HN 0.332 nan 8.360 nan 0.000 0.401 349 K N 0.567 120.981 120.400 0.023 0.000 2.530 349 K HA -0.078 4.242 4.320 -0.000 0.000 0.280 349 K C 0.766 177.399 176.600 0.055 0.000 1.004 349 K CA 1.343 57.649 56.287 0.033 0.000 1.071 349 K CB -0.228 32.276 32.500 0.006 0.000 0.876 349 K HN 0.794 nan 8.250 nan 0.000 0.487 350 G N 2.916 111.792 108.800 0.127 0.000 2.179 350 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.260 350 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.260 350 G C -0.425 174.544 174.900 0.115 0.000 0.977 350 G CA 0.250 45.420 45.100 0.118 0.000 0.641 350 G HN 0.751 nan 8.290 nan 0.000 0.533 351 D N 0.923 121.390 120.400 0.111 0.000 2.414 351 D HA 0.394 5.034 4.640 -0.000 0.000 0.242 351 D C 0.558 176.912 176.300 0.090 0.000 1.129 351 D CA 0.163 54.208 54.000 0.075 0.000 0.885 351 D CB 0.902 41.738 40.800 0.060 0.000 1.198 351 D HN 0.491 nan 8.370 nan 0.000 0.437 352 E N 1.737 121.946 120.200 0.016 0.000 2.259 352 E HA 0.328 4.678 4.350 -0.000 0.000 0.281 352 E C -0.879 175.625 176.600 -0.160 0.000 1.027 352 E CA -0.536 55.843 56.400 -0.035 0.000 0.838 352 E CB 0.624 30.276 29.700 -0.080 0.000 1.066 352 E HN 0.322 nan 8.360 nan 0.000 0.401 353 L N 4.857 125.965 121.223 -0.192 0.000 2.325 353 L HA 0.446 4.785 4.340 -0.000 0.000 0.281 353 L C -0.158 176.474 176.870 -0.397 0.000 1.004 353 L CA -0.627 54.012 54.840 -0.335 0.000 0.823 353 L CB 1.602 43.444 42.059 -0.362 0.000 1.236 353 L HN 0.494 nan 8.230 nan 0.000 0.415 354 M N 3.632 122.900 119.600 -0.553 0.000 2.149 354 M HA 0.363 4.843 4.480 -0.000 0.000 0.342 354 M C -0.764 175.255 176.300 -0.469 0.000 1.068 354 M CA -0.672 54.325 55.300 -0.504 0.000 0.991 354 M CB 2.216 34.468 32.600 -0.581 0.000 1.596 354 M HN 0.239 nan 8.290 nan 0.000 0.439 355 V N 6.042 125.610 119.914 -0.577 0.000 2.408 355 V HA 0.216 4.335 4.120 -0.000 0.000 0.267 355 V C 0.205 176.052 176.094 -0.411 0.000 1.047 355 V CA -0.381 61.553 62.300 -0.609 0.000 0.937 355 V CB 0.753 31.908 31.823 -1.113 0.000 0.999 355 V HN 0.657 nan 8.190 nan 0.000 0.472 356 L N 6.673 127.745 121.223 -0.253 0.000 2.328 356 L HA 0.356 4.696 4.340 -0.000 0.000 0.280 356 L C 1.305 178.069 176.870 -0.177 0.000 1.111 356 L CA -0.067 54.682 54.840 -0.152 0.000 0.909 356 L CB 0.340 42.354 42.059 -0.074 0.000 1.277 356 L HN 0.610 nan 8.230 nan 0.000 0.433 357 I N 2.843 123.290 120.570 -0.205 0.000 2.208 357 I HA -0.176 3.994 4.170 -0.000 0.000 0.245 357 I C -0.424 175.419 176.117 -0.457 0.000 1.097 357 I CA 1.228 62.324 61.300 -0.340 0.000 1.363 357 I CB -1.006 36.825 38.000 -0.283 0.000 1.051 357 I HN 0.516 nan 8.210 nan 0.000 0.413 358 P HA -0.132 nan 4.420 nan 0.000 0.221 358 P C 1.554 178.742 177.300 -0.187 0.000 1.150 358 P CA 1.033 63.985 63.100 -0.247 0.000 0.800 358 P CB -0.001 31.600 31.700 -0.165 0.000 0.787 359 Q N -0.490 119.237 119.800 -0.121 0.000 2.020 359 Q HA -0.101 4.239 4.340 -0.000 0.000 0.198 359 Q C 2.119 178.113 176.000 -0.011 0.000 0.974 359 Q CA 1.079 56.849 55.803 -0.054 0.000 0.829 359 Q CB -1.413 27.312 28.738 -0.022 0.000 0.894 359 Q HN 0.194 nan 8.270 nan 0.000 0.433 360 L N 0.849 122.056 121.223 -0.027 0.000 2.051 360 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 360 L C 1.800 178.854 176.870 0.307 0.000 1.076 360 L CA 1.974 56.874 54.840 0.100 0.000 0.758 360 L CB -0.662 41.426 42.059 0.048 0.000 0.890 360 L HN 0.261 nan 8.230 nan 0.000 0.433 361 H N -0.413 118.682 119.070 0.041 0.000 2.563 361 H HA 0.116 4.672 4.556 -0.000 0.000 0.272 361 H C 1.552 176.650 175.328 -0.383 0.000 1.005 361 H CA 0.656 56.617 56.048 -0.145 0.000 1.171 361 H CB -0.098 29.527 29.762 -0.228 0.000 1.351 361 H HN 0.412 nan 8.280 nan 0.000 0.602 362 R N -0.009 120.488 120.500 -0.005 0.000 2.508 362 R HA 0.040 4.380 4.340 -0.000 0.000 0.300 362 R C -0.162 176.213 176.300 0.126 0.000 0.970 362 R CA -0.198 55.882 56.100 -0.033 0.000 1.102 362 R CB 0.793 31.049 30.300 -0.074 0.000 1.246 362 R HN 0.037 nan 8.270 nan 0.000 0.539 363 D N 1.672 122.235 120.400 0.272 0.000 2.368 363 D HA -0.058 4.582 4.640 -0.000 0.000 0.268 363 D C 0.524 176.972 176.300 0.246 0.000 1.298 363 D CA 0.652 54.796 54.000 0.240 0.000 0.938 363 D CB 0.844 41.790 40.800 0.242 0.000 1.101 363 D HN 0.005 nan 8.370 nan 0.000 0.509 364 K N 1.364 121.849 120.400 0.142 0.000 2.211 364 K HA -0.109 4.211 4.320 -0.000 0.000 0.203 364 K C 1.873 178.518 176.600 0.075 0.000 1.050 364 K CA 1.293 57.648 56.287 0.113 0.000 0.945 364 K CB 0.130 32.672 32.500 0.070 0.000 0.732 364 K HN 0.550 nan 8.250 nan 0.000 0.451 365 T N -1.050 113.537 114.554 0.055 0.000 3.051 365 T HA -0.023 4.327 4.350 -0.000 0.000 0.269 365 T C 1.605 176.284 174.700 -0.034 0.000 1.127 365 T CA 0.611 62.718 62.100 0.013 0.000 1.107 365 T CB 0.003 68.880 68.868 0.015 0.000 0.898 365 T HN -0.016 nan 8.240 nan 0.000 0.517 366 I N -1.444 119.097 120.570 -0.048 0.000 2.899 366 I HA 0.245 4.415 4.170 -0.000 0.000 0.257 366 I C 1.732 177.650 176.117 -0.332 0.000 1.115 366 I CA 0.458 61.606 61.300 -0.252 0.000 1.451 366 I CB -0.670 37.094 38.000 -0.393 0.000 1.251 366 I HN 0.308 nan 8.210 nan 0.000 0.456 367 W N 1.752 123.017 121.300 -0.057 0.000 2.863 367 W HA 0.369 5.029 4.660 -0.000 0.000 0.258 367 W C 1.302 177.767 176.519 -0.091 0.000 1.298 367 W CA 1.076 58.361 57.345 -0.099 0.000 1.451 367 W CB 0.036 29.438 29.460 -0.097 0.000 1.107 367 W HN 0.297 nan 8.180 nan 0.000 0.641 368 G N 0.663 109.529 108.800 0.110 0.000 2.566 368 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.599 368 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.599 368 G C 0.031 174.973 174.900 0.069 0.000 1.292 368 G CA -0.177 44.959 45.100 0.060 0.000 0.922 368 G HN 0.056 nan 8.290 nan 0.000 0.514 369 D N 0.356 120.780 120.400 0.040 0.000 2.323 369 D HA 0.013 4.653 4.640 -0.000 0.000 0.209 369 D C 1.534 177.850 176.300 0.027 0.000 0.973 369 D CA 1.239 55.259 54.000 0.034 0.000 0.874 369 D CB 0.047 40.861 40.800 0.023 0.000 0.930 369 D HN 0.598 nan 8.370 nan 0.000 0.521 370 D N 1.193 121.607 120.400 0.023 0.000 2.336 370 D HA -0.079 4.561 4.640 -0.000 0.000 0.228 370 D C 1.994 178.285 176.300 -0.015 0.000 1.120 370 D CA -0.020 53.984 54.000 0.008 0.000 0.839 370 D CB -0.390 40.413 40.800 0.004 0.000 0.932 370 D HN 0.128 nan 8.370 nan 0.000 0.509 371 V N -1.271 118.635 119.914 -0.015 0.000 2.428 371 V HA -0.301 3.818 4.120 -0.000 0.000 0.255 371 V C 1.851 177.873 176.094 -0.121 0.000 1.080 371 V CA 1.910 64.163 62.300 -0.077 0.000 1.083 371 V CB -0.854 30.937 31.823 -0.054 0.000 0.665 371 V HN 0.014 nan 8.190 nan 0.000 0.461 372 E N -0.153 120.009 120.200 -0.062 0.000 2.489 372 E HA 0.123 4.473 4.350 -0.000 0.000 0.193 372 E C 0.567 177.165 176.600 -0.003 0.000 1.057 372 E CA -0.008 56.365 56.400 -0.045 0.000 0.866 372 E CB -0.070 29.634 29.700 0.008 0.000 0.916 372 E HN 0.711 nan 8.360 nan 0.000 0.500 373 E N -0.254 119.934 120.200 -0.020 0.000 2.227 373 E HA 0.090 4.440 4.350 -0.000 0.000 0.282 373 E C -0.854 175.730 176.600 -0.028 0.000 1.015 373 E CA -0.758 55.653 56.400 0.019 0.000 0.823 373 E CB 0.405 30.114 29.700 0.015 0.000 1.081 373 E HN 0.055 nan 8.360 nan 0.000 0.396 374 F N 3.916 123.788 119.950 -0.129 0.000 2.490 374 F HA 0.106 4.633 4.527 -0.000 0.000 0.357 374 F C 0.391 176.132 175.800 -0.098 0.000 1.166 374 F CA 0.286 58.148 58.000 -0.230 0.000 1.116 374 F CB 0.099 38.961 39.000 -0.230 0.000 1.171 374 F HN 0.103 nan 8.300 nan 0.000 0.576 375 R N 7.256 127.450 120.500 -0.511 0.000 2.607 375 R HA 0.193 4.533 4.340 -0.000 0.000 0.278 375 R C -2.108 173.964 176.300 -0.381 0.000 1.637 375 R CA -1.507 54.390 56.100 -0.339 0.000 1.325 375 R CB 1.154 31.366 30.300 -0.147 0.000 1.211 375 R HN 0.315 nan 8.270 nan 0.000 0.565 376 P HA -0.193 nan 4.420 nan 0.000 0.217 376 P C 0.448 177.699 177.300 -0.081 0.000 1.148 376 P CA 1.267 64.152 63.100 -0.358 0.000 0.834 376 P CB 0.431 31.815 31.700 -0.527 0.000 0.783 377 E N -1.012 119.178 120.200 -0.018 0.000 2.396 377 E HA -0.148 4.201 4.350 -0.000 0.000 0.200 377 E C 1.867 178.456 176.600 -0.019 0.000 1.023 377 E CA 0.602 57.029 56.400 0.045 0.000 0.857 377 E CB -0.539 29.194 29.700 0.054 0.000 0.775 377 E HN 0.249 nan 8.360 nan 0.000 0.525 378 R N -0.722 119.723 120.500 -0.092 0.000 2.170 378 R HA -0.125 4.215 4.340 -0.000 0.000 0.242 378 R C 0.729 176.807 176.300 -0.371 0.000 1.145 378 R CA 1.048 56.995 56.100 -0.254 0.000 0.984 378 R CB -0.167 29.873 30.300 -0.432 0.000 0.869 378 R HN 0.217 nan 8.270 nan 0.000 0.455 379 F N -0.456 119.432 119.950 -0.103 0.000 2.647 379 F HA 0.162 4.689 4.527 -0.000 0.000 0.300 379 F C 1.668 177.430 175.800 -0.064 0.000 1.106 379 F CA -0.262 57.673 58.000 -0.109 0.000 1.313 379 F CB 0.352 39.249 39.000 -0.172 0.000 1.007 379 F HN -0.050 nan 8.300 nan 0.000 0.536 380 E N 0.891 121.133 120.200 0.070 0.000 2.274 380 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 380 E C 0.403 177.024 176.600 0.035 0.000 0.996 380 E CA 0.615 57.053 56.400 0.065 0.000 0.840 380 E CB 0.089 29.821 29.700 0.054 0.000 0.772 380 E HN 0.336 nan 8.360 nan 0.000 0.491 381 N N -0.400 118.300 118.700 0.000 0.000 2.682 381 N HA 0.142 4.882 4.740 -0.000 0.000 0.252 381 N C -2.301 173.191 175.510 -0.030 0.000 1.081 381 N CA -1.672 51.368 53.050 -0.017 0.000 0.844 381 N CB 1.247 39.709 38.487 -0.040 0.000 1.167 381 N HN -0.124 nan 8.380 nan 0.000 0.523 382 P HA -0.147 nan 4.420 nan 0.000 0.217 382 P C 1.268 178.558 177.300 -0.017 0.000 1.150 382 P CA 1.055 64.166 63.100 0.018 0.000 0.832 382 P CB 0.195 31.924 31.700 0.048 0.000 0.787 383 S N -0.467 115.221 115.700 -0.020 0.000 2.469 383 S HA -0.055 4.414 4.470 -0.000 0.000 0.238 383 S C 1.973 176.534 174.600 -0.064 0.000 0.998 383 S CA 0.963 59.144 58.200 -0.032 0.000 0.957 383 S CB -1.253 61.934 63.200 -0.022 0.000 0.764 383 S HN 0.131 nan 8.310 nan 0.000 0.514 384 A N 0.945 123.711 122.820 -0.089 0.000 2.168 384 A HA 0.370 4.690 4.320 -0.000 0.000 0.215 384 A C 0.830 178.291 177.584 -0.204 0.000 1.152 384 A CA 0.198 52.155 52.037 -0.134 0.000 0.716 384 A CB -0.493 18.423 19.000 -0.140 0.000 0.794 384 A HN 0.605 nan 8.150 nan 0.000 0.465 385 I N 1.700 122.152 120.570 -0.197 0.000 2.321 385 I HA 0.295 4.464 4.170 -0.000 0.000 0.291 385 I C -2.199 173.818 176.117 -0.167 0.000 0.998 385 I CA -2.202 58.933 61.300 -0.274 0.000 1.227 385 I CB 1.422 39.270 38.000 -0.252 0.000 1.368 385 I HN 0.034 nan 8.210 nan 0.000 0.466 386 P HA 0.093 nan 4.420 nan 0.000 0.274 386 P C -0.831 176.441 177.300 -0.046 0.000 1.256 386 P CA -0.652 62.386 63.100 -0.103 0.000 0.795 386 P CB 0.512 32.145 31.700 -0.111 0.000 1.038 387 Q N 0.018 119.800 119.800 -0.030 0.000 2.332 387 Q HA 0.015 4.355 4.340 -0.000 0.000 0.263 387 Q C -0.257 175.753 176.000 0.017 0.000 0.979 387 Q CA 0.176 55.927 55.803 -0.086 0.000 0.885 387 Q CB -0.197 28.436 28.738 -0.174 0.000 1.218 387 Q HN 0.546 nan 8.270 nan 0.000 0.405 388 H N 0.408 119.558 119.070 0.133 0.000 3.428 388 H HA -0.255 4.301 4.556 -0.000 0.000 0.204 388 H C 0.649 176.096 175.328 0.199 0.000 1.078 388 H CA 0.544 56.687 56.048 0.158 0.000 1.183 388 H CB -1.367 28.463 29.762 0.112 0.000 1.132 388 H HN 0.666 nan 8.280 nan 0.000 0.323 389 A N 0.149 123.133 122.820 0.273 0.000 2.016 389 A HA 0.191 4.510 4.320 -0.000 0.000 0.217 389 A C 0.495 178.490 177.584 0.685 0.000 1.162 389 A CA 1.026 53.245 52.037 0.302 0.000 0.662 389 A CB 0.260 19.210 19.000 -0.083 0.000 0.812 389 A HN 0.264 nan 8.150 nan 0.000 0.450 390 F N 0.352 120.563 119.950 0.435 0.000 2.577 390 F HA 0.506 5.032 4.527 -0.000 0.000 0.344 390 F C -0.408 175.671 175.800 0.466 0.000 1.145 390 F CA -1.066 57.224 58.000 0.483 0.000 0.996 390 F CB 1.337 40.596 39.000 0.433 0.000 1.248 390 F HN -0.078 nan 8.300 nan 0.000 0.447 391 K N 6.634 127.245 120.400 0.352 0.000 3.271 391 K HA 0.260 4.580 4.320 -0.000 0.000 0.192 391 K C -2.294 174.289 176.600 -0.028 0.000 1.108 391 K CA -1.269 55.104 56.287 0.142 0.000 0.902 391 K CB 0.861 33.527 32.500 0.276 0.000 0.889 391 K HN 0.262 nan 8.250 nan 0.000 0.520 392 P HA -0.094 nan 4.420 nan 0.000 0.225 392 P C -0.014 176.954 177.300 -0.553 0.000 1.148 392 P CA 0.938 63.771 63.100 -0.445 0.000 0.779 392 P CB 0.099 31.333 31.700 -0.775 0.000 0.780 393 F N -1.375 118.526 119.950 -0.081 0.000 2.708 393 F HA 0.451 4.978 4.527 -0.000 0.000 0.300 393 F C 1.676 177.398 175.800 -0.130 0.000 1.118 393 F CA 0.185 58.145 58.000 -0.067 0.000 1.307 393 F CB -0.152 38.827 39.000 -0.034 0.000 0.986 393 F HN -0.048 nan 8.300 nan 0.000 0.522 394 G N 1.323 110.053 108.800 -0.115 0.000 2.553 394 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.242 394 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.242 394 G C -0.722 173.960 174.900 -0.365 0.000 1.277 394 G CA -0.251 44.514 45.100 -0.559 0.000 0.910 394 G HN 0.456 nan 8.290 nan 0.000 0.576 395 N N 0.377 118.825 118.700 -0.420 0.000 2.264 395 N HA 0.545 5.285 4.740 -0.000 0.000 0.288 395 N C 0.651 176.151 175.510 -0.016 0.000 1.094 395 N CA 1.079 54.068 53.050 -0.101 0.000 0.817 395 N CB 1.551 40.043 38.487 0.009 0.000 1.604 395 N HN 2.472 nan 8.380 nan 0.000 0.473 396 G N 2.691 111.533 108.800 0.070 0.000 2.564 396 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.273 396 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.273 396 G C 0.723 175.687 174.900 0.106 0.000 1.242 396 G CA 0.751 45.906 45.100 0.092 0.000 0.951 396 G HN 0.790 nan 8.290 nan 0.000 0.564 397 Q N -0.488 119.380 119.800 0.113 0.000 2.291 397 Q HA 0.035 4.375 4.340 -0.000 0.000 0.205 397 Q C 1.886 178.027 176.000 0.235 0.000 0.970 397 Q CA 1.425 57.338 55.803 0.182 0.000 0.876 397 Q CB 0.007 28.842 28.738 0.161 0.000 0.935 397 Q HN 0.408 nan 8.270 nan 0.000 0.455 398 R N 0.770 121.329 120.500 0.098 0.000 2.391 398 R HA 0.388 4.728 4.340 -0.000 0.000 0.249 398 R C 0.151 176.482 176.300 0.052 0.000 0.957 398 R CA 0.335 56.485 56.100 0.082 0.000 1.093 398 R CB -0.227 30.030 30.300 -0.071 0.000 1.156 398 R HN 0.339 nan 8.270 nan 0.000 0.526 399 A N 0.325 123.183 122.820 0.063 0.000 2.296 399 A HA 0.110 4.430 4.320 -0.000 0.000 0.264 399 A C 0.185 177.811 177.584 0.071 0.000 1.097 399 A CA -0.433 51.618 52.037 0.024 0.000 0.811 399 A CB 0.387 19.414 19.000 0.044 0.000 1.072 399 A HN 0.444 nan 8.150 nan 0.000 0.495 400 C N 1.775 121.122 119.300 0.078 0.000 2.657 400 C HA 0.191 4.651 4.460 -0.000 0.000 0.404 400 C C 1.688 176.657 174.990 -0.035 0.000 1.369 400 C CA -0.048 59.008 59.018 0.063 0.000 1.665 400 C CB -2.128 25.733 27.740 0.201 0.000 2.453 400 C HN 0.747 nan 8.230 nan 0.000 0.599 401 I N 4.545 125.042 120.570 -0.121 0.000 2.756 401 I HA 0.032 4.201 4.170 -0.000 0.000 0.262 401 I C 2.035 177.861 176.117 -0.485 0.000 1.225 401 I CA 1.609 62.724 61.300 -0.309 0.000 1.472 401 I CB 0.002 37.706 38.000 -0.493 0.000 1.094 401 I HN 0.945 nan 8.210 nan 0.000 0.454 402 G N -0.318 108.270 108.800 -0.353 0.000 3.141 402 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.218 402 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.218 402 G C 1.257 176.160 174.900 0.004 0.000 1.170 402 G CA -0.081 44.910 45.100 -0.183 0.000 0.769 402 G HN 0.438 nan 8.290 nan 0.000 0.546 403 Q N -0.137 119.573 119.800 -0.151 0.000 2.112 403 Q HA -0.198 4.141 4.340 -0.000 0.000 0.206 403 Q C 2.259 178.115 176.000 -0.240 0.000 0.987 403 Q CA 1.411 56.915 55.803 -0.499 0.000 0.858 403 Q CB 0.018 28.236 28.738 -0.867 0.000 0.905 403 Q HN 0.340 nan 8.270 nan 0.000 0.420 404 Q N -0.527 119.257 119.800 -0.026 0.000 2.137 404 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 404 Q C 1.800 177.923 176.000 0.205 0.000 0.960 404 Q CA 0.832 56.681 55.803 0.077 0.000 0.847 404 Q CB -0.438 28.367 28.738 0.111 0.000 0.915 404 Q HN 0.392 nan 8.270 nan 0.000 0.448 405 F N 1.582 121.616 119.950 0.140 0.000 2.091 405 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 405 F C 2.155 178.054 175.800 0.166 0.000 1.103 405 F CA 1.709 59.808 58.000 0.165 0.000 1.228 405 F CB -0.311 38.776 39.000 0.144 0.000 0.984 405 F HN 0.077 nan 8.300 nan 0.000 0.477 406 A N 0.082 123.146 122.820 0.407 0.000 1.898 406 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 406 A C 2.261 179.988 177.584 0.237 0.000 1.181 406 A CA 1.677 53.921 52.037 0.345 0.000 0.620 406 A CB -1.081 18.134 19.000 0.358 0.000 0.819 406 A HN 0.475 nan 8.150 nan 0.000 0.442 407 L N -1.793 119.547 121.223 0.194 0.000 2.156 407 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 407 L C 2.571 179.513 176.870 0.120 0.000 1.095 407 L CA 1.432 56.368 54.840 0.160 0.000 0.770 407 L CB -0.572 41.560 42.059 0.123 0.000 0.914 407 L HN 0.585 nan 8.230 nan 0.000 0.439 408 H N 0.345 119.439 119.070 0.039 0.000 2.293 408 H HA -0.230 4.325 4.556 -0.000 0.000 0.300 408 H C 2.234 177.557 175.328 -0.010 0.000 1.082 408 H CA 2.156 58.210 56.048 0.010 0.000 1.308 408 H CB 0.186 29.954 29.762 0.011 0.000 1.375 408 H HN 0.291 nan 8.280 nan 0.000 0.495 409 E N -0.347 119.831 120.200 -0.036 0.000 2.085 409 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 409 E C 2.193 178.778 176.600 -0.026 0.000 0.994 409 E CA 1.177 57.536 56.400 -0.068 0.000 0.801 409 E CB -0.262 29.444 29.700 0.011 0.000 0.743 409 E HN 0.571 nan 8.360 nan 0.000 0.453 410 A N -0.065 122.779 122.820 0.040 0.000 1.929 410 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 410 A C 2.361 179.964 177.584 0.033 0.000 1.176 410 A CA 1.693 53.769 52.037 0.065 0.000 0.628 410 A CB -0.739 18.334 19.000 0.121 0.000 0.816 410 A HN 0.342 nan 8.150 nan 0.000 0.444 411 T N 0.454 115.006 114.554 -0.003 0.000 2.708 411 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 411 T C 1.862 176.533 174.700 -0.049 0.000 1.037 411 T CA 1.528 63.616 62.100 -0.019 0.000 1.146 411 T CB -0.451 68.393 68.868 -0.040 0.000 0.865 411 T HN 0.349 nan 8.240 nan 0.000 0.435 412 L N 1.527 122.666 121.223 -0.141 0.000 1.989 412 L HA -0.067 4.273 4.340 -0.000 0.000 0.211 412 L C 2.436 179.287 176.870 -0.032 0.000 1.071 412 L CA 1.714 56.483 54.840 -0.119 0.000 0.749 412 L CB -0.881 41.046 42.059 -0.220 0.000 0.890 412 L HN 0.084 nan 8.230 nan 0.000 0.431 413 V N -0.516 119.382 119.914 -0.026 0.000 2.358 413 V HA -0.237 3.882 4.120 -0.000 0.000 0.246 413 V C 2.513 178.645 176.094 0.063 0.000 1.047 413 V CA 1.683 63.987 62.300 0.007 0.000 1.035 413 V CB -0.693 31.132 31.823 0.002 0.000 0.658 413 V HN 0.528 nan 8.190 nan 0.000 0.452 414 L N 1.345 122.613 121.223 0.076 0.000 2.083 414 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 414 L C 2.344 179.301 176.870 0.145 0.000 1.083 414 L CA 2.319 57.230 54.840 0.119 0.000 0.752 414 L CB -1.276 40.849 42.059 0.111 0.000 0.899 414 L HN 0.275 nan 8.230 nan 0.000 0.433 415 G N -0.697 108.168 108.800 0.109 0.000 2.440 415 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.218 415 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.218 415 G C 1.544 176.537 174.900 0.155 0.000 1.154 415 G CA 1.167 46.338 45.100 0.118 0.000 0.767 415 G HN 0.419 nan 8.290 nan 0.000 0.552 416 M N -0.347 119.350 119.600 0.162 0.000 2.175 416 M HA 0.080 4.560 4.480 -0.000 0.000 0.264 416 M C 2.728 179.257 176.300 0.381 0.000 1.063 416 M CA 1.167 56.619 55.300 0.254 0.000 1.119 416 M CB -0.306 32.400 32.600 0.177 0.000 1.377 416 M HN 0.200 nan 8.290 nan 0.000 0.415 417 M N 0.191 120.013 119.600 0.369 0.000 2.065 417 M HA -0.234 4.245 4.480 -0.000 0.000 0.259 417 M C 2.073 178.799 176.300 0.711 0.000 1.069 417 M CA 1.766 57.441 55.300 0.624 0.000 1.110 417 M CB -0.533 32.387 32.600 0.533 0.000 1.328 417 M HN 0.254 nan 8.290 nan 0.000 0.405 418 L N -0.261 121.250 121.223 0.480 0.000 2.141 418 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 418 L C 2.538 179.556 176.870 0.248 0.000 1.094 418 L CA 1.101 56.184 54.840 0.404 0.000 0.763 418 L CB -0.651 41.578 42.059 0.283 0.000 0.908 418 L HN 0.335 nan 8.230 nan 0.000 0.437 419 K N -0.726 119.769 120.400 0.158 0.000 2.097 419 K HA -0.166 4.154 4.320 -0.000 0.000 0.205 419 K C 1.936 178.426 176.600 -0.183 0.000 1.050 419 K CA 1.245 57.503 56.287 -0.048 0.000 0.938 419 K CB 0.013 32.417 32.500 -0.159 0.000 0.718 419 K HN 0.399 nan 8.250 nan 0.000 0.442 420 H N -1.578 117.481 119.070 -0.019 0.000 2.595 420 H HA 0.155 4.711 4.556 -0.000 0.000 0.265 420 H C -0.316 174.629 175.328 -0.640 0.000 0.953 420 H CA 0.406 56.239 56.048 -0.358 0.000 1.197 420 H CB 0.443 29.900 29.762 -0.508 0.000 1.438 420 H HN 0.025 nan 8.280 nan 0.000 0.531 421 F N 0.338 120.320 119.950 0.054 0.000 2.613 421 F HA 0.271 4.798 4.527 -0.000 0.000 0.310 421 F C -0.173 175.455 175.800 -0.287 0.000 1.085 421 F CA -1.236 56.636 58.000 -0.214 0.000 0.945 421 F CB 1.562 40.237 39.000 -0.541 0.000 1.298 421 F HN -0.237 nan 8.300 nan 0.000 0.455 422 D N 0.960 121.284 120.400 -0.127 0.000 2.253 422 D HA 0.470 5.110 4.640 -0.000 0.000 0.249 422 D C -0.973 175.126 176.300 -0.336 0.000 1.049 422 D CA 0.110 54.053 54.000 -0.096 0.000 0.929 422 D CB 1.488 42.278 40.800 -0.018 0.000 1.176 422 D HN 0.151 nan 8.370 nan 0.000 0.437 423 F N 0.144 120.136 119.950 0.070 0.000 2.561 423 F HA 0.328 4.854 4.527 -0.000 0.000 0.321 423 F C 0.541 176.344 175.800 0.006 0.000 1.065 423 F CA -0.852 57.152 58.000 0.007 0.000 0.934 423 F CB 2.012 41.014 39.000 0.004 0.000 1.215 423 F HN 0.080 nan 8.300 nan 0.000 0.471 424 E N 1.061 121.362 120.200 0.169 0.000 2.246 424 E HA 0.126 4.476 4.350 -0.000 0.000 0.266 424 E C -1.485 175.228 176.600 0.189 0.000 0.880 424 E CA -0.585 55.894 56.400 0.130 0.000 0.762 424 E CB 1.492 31.231 29.700 0.065 0.000 1.180 424 E HN 0.574 nan 8.360 nan 0.000 0.416 425 D N 3.162 123.663 120.400 0.168 0.000 2.934 425 D HA -0.012 4.628 4.640 -0.000 0.000 0.237 425 D C 1.078 177.441 176.300 0.105 0.000 1.158 425 D CA 0.102 54.199 54.000 0.163 0.000 0.971 425 D CB -0.411 40.465 40.800 0.126 0.000 1.123 425 D HN 0.616 nan 8.370 nan 0.000 0.467 426 H N -1.856 117.219 119.070 0.008 0.000 2.518 426 H HA -0.105 4.451 4.556 -0.000 0.000 0.292 426 H C 1.402 176.725 175.328 -0.009 0.000 1.068 426 H CA 1.588 57.629 56.048 -0.011 0.000 1.275 426 H CB -0.097 29.640 29.762 -0.042 0.000 1.375 426 H HN 0.174 nan 8.280 nan 0.000 0.563 427 T N -3.318 110.931 114.554 -0.508 0.000 3.054 427 T HA 0.043 4.393 4.350 -0.000 0.000 0.255 427 T C 0.602 175.240 174.700 -0.103 0.000 1.035 427 T CA -0.028 61.880 62.100 -0.320 0.000 0.941 427 T CB -0.304 68.334 68.868 -0.385 0.000 1.026 427 T HN 0.445 nan 8.240 nan 0.000 0.533 428 N N 1.405 120.082 118.700 -0.038 0.000 2.671 428 N HA -0.227 4.512 4.740 -0.000 0.000 0.261 428 N C -0.596 174.945 175.510 0.051 0.000 1.053 428 N CA 0.151 53.213 53.050 0.019 0.000 0.732 428 N CB -2.240 36.245 38.487 -0.005 0.000 0.887 428 N HN 0.783 nan 8.380 nan 0.000 0.546 429 Y N 0.825 121.126 120.300 0.001 0.000 2.717 429 Y HA 0.108 4.658 4.550 -0.000 0.000 0.330 429 Y C 0.766 176.694 175.900 0.047 0.000 1.217 429 Y CA 0.145 58.268 58.100 0.037 0.000 1.506 429 Y CB 0.460 39.024 38.460 0.172 0.000 1.268 429 Y HN 0.340 nan 8.280 nan 0.000 0.561 430 E N 7.101 126.905 120.200 -0.660 0.000 2.089 430 E HA 0.203 4.552 4.350 -0.000 0.000 0.284 430 E C -1.042 174.895 176.600 -1.106 0.000 1.023 430 E CA -1.060 54.978 56.400 -0.603 0.000 0.819 430 E CB 0.473 29.975 29.700 -0.330 0.000 1.076 430 E HN 0.738 nan 8.360 nan 0.000 0.396 431 L N 5.024 125.776 121.223 -0.785 0.000 2.678 431 L HA -0.037 4.303 4.340 -0.000 0.000 0.285 431 L C -0.691 175.897 176.870 -0.469 0.000 1.233 431 L CA 1.240 55.672 54.840 -0.680 0.000 0.920 431 L CB 0.348 42.119 42.059 -0.480 0.000 1.176 431 L HN 0.523 nan 8.230 nan 0.000 0.495 432 D N 5.713 125.902 120.400 -0.352 0.000 2.402 432 D HA 0.258 4.898 4.640 -0.000 0.000 0.252 432 D C -0.740 175.452 176.300 -0.181 0.000 1.294 432 D CA -0.259 53.611 54.000 -0.217 0.000 0.948 432 D CB 0.587 41.296 40.800 -0.152 0.000 1.202 432 D HN 0.471 nan 8.370 nan 0.000 0.561 433 I N 3.626 124.058 120.570 -0.229 0.000 2.281 433 I HA 0.149 4.319 4.170 -0.000 0.000 0.293 433 I C 0.761 176.797 176.117 -0.135 0.000 1.085 433 I CA -0.570 60.599 61.300 -0.218 0.000 1.257 433 I CB 0.772 38.525 38.000 -0.411 0.000 1.430 433 I HN 0.090 nan 8.210 nan 0.000 0.489 434 K N 7.208 127.552 120.400 -0.093 0.000 2.322 434 K HA 0.234 4.554 4.320 -0.000 0.000 0.283 434 K C -0.412 176.171 176.600 -0.029 0.000 1.042 434 K CA -0.259 55.995 56.287 -0.054 0.000 0.958 434 K CB 0.781 33.254 32.500 -0.045 0.000 0.984 434 K HN 0.509 nan 8.250 nan 0.000 0.473 435 E N 3.175 123.367 120.200 -0.013 0.000 2.158 435 E HA 0.141 4.491 4.350 -0.000 0.000 0.271 435 E C -0.258 176.358 176.600 0.027 0.000 0.911 435 E CA -0.546 55.862 56.400 0.013 0.000 0.767 435 E CB 1.877 31.587 29.700 0.017 0.000 1.120 435 E HN 0.854 nan 8.360 nan 0.000 0.405 436 T N -0.538 114.041 114.554 0.042 0.000 2.101 436 T HA 0.149 4.499 4.350 -0.000 0.000 0.186 436 T C 0.884 175.634 174.700 0.083 0.000 0.743 436 T CA -0.600 61.535 62.100 0.058 0.000 1.232 436 T CB -0.103 68.801 68.868 0.059 0.000 2.686 436 T HN 0.192 nan 8.240 nan 0.000 0.449 437 L N 2.338 123.626 121.223 0.107 0.000 2.376 437 L HA 0.291 4.631 4.340 -0.000 0.000 0.219 437 L C 1.138 178.080 176.870 0.119 0.000 1.133 437 L CA 1.366 56.288 54.840 0.136 0.000 0.816 437 L CB -1.202 40.973 42.059 0.194 0.000 0.933 437 L HN 1.031 nan 8.230 nan 0.000 0.449 438 T N -3.908 110.699 114.554 0.088 0.000 2.831 438 T HA 0.605 4.955 4.350 -0.000 0.000 0.287 438 T C -0.425 174.322 174.700 0.079 0.000 1.070 438 T CA -0.878 61.269 62.100 0.079 0.000 1.010 438 T CB 1.560 70.457 68.868 0.047 0.000 1.264 438 T HN -0.103 nan 8.240 nan 0.000 0.532 439 L N 1.139 122.435 121.223 0.120 0.000 2.325 439 L HA 0.727 5.066 4.340 -0.000 0.000 0.278 439 L C -0.122 176.870 176.870 0.203 0.000 1.023 439 L CA -1.001 53.940 54.840 0.168 0.000 0.811 439 L CB 1.578 43.776 42.059 0.231 0.000 1.249 439 L HN 0.854 nan 8.230 nan 0.000 0.431 440 K N 2.019 122.447 120.400 0.046 0.000 2.523 440 K HA 0.502 4.821 4.320 -0.000 0.000 0.257 440 K C -2.987 173.331 176.600 -0.469 0.000 0.932 440 K CA -1.809 54.334 56.287 -0.239 0.000 0.812 440 K CB 2.712 35.119 32.500 -0.154 0.000 1.326 440 K HN 0.128 nan 8.250 nan 0.000 0.433 441 P HA 0.046 nan 4.420 nan 0.000 0.260 441 P C -0.727 176.417 177.300 -0.260 0.000 1.651 441 P CA -0.032 62.682 63.100 -0.644 0.000 1.139 441 P CB 0.313 31.437 31.700 -0.959 0.000 1.756 442 E N 3.105 123.231 120.200 -0.123 0.000 2.493 442 E HA 0.206 4.556 4.350 -0.000 0.000 0.255 442 E C 1.380 178.020 176.600 0.066 0.000 0.999 442 E CA 1.103 57.481 56.400 -0.036 0.000 0.934 442 E CB -0.724 28.961 29.700 -0.025 0.000 0.940 442 E HN 0.662 nan 8.360 nan 0.000 0.473 443 G N 3.928 112.731 108.800 0.004 0.000 2.159 443 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.256 443 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.256 443 G C -0.055 174.765 174.900 -0.133 0.000 0.977 443 G CA -0.032 45.084 45.100 0.028 0.000 0.652 443 G HN 0.577 nan 8.290 nan 0.000 0.531 444 F N 2.336 121.922 119.950 -0.608 0.000 2.571 444 F HA 0.483 5.010 4.527 -0.000 0.000 0.384 444 F C 0.614 176.142 175.800 -0.453 0.000 1.058 444 F CA -0.672 56.717 58.000 -1.019 0.000 1.200 444 F CB 0.692 39.127 39.000 -0.942 0.000 1.077 444 F HN 0.601 nan 8.300 nan 0.000 0.558 445 V N 6.276 125.846 119.914 -0.572 0.000 2.823 445 V HA 0.900 5.020 4.120 -0.000 0.000 0.312 445 V C -0.791 175.078 176.094 -0.375 0.000 1.072 445 V CA -0.530 61.538 62.300 -0.387 0.000 0.937 445 V CB 0.973 32.763 31.823 -0.056 0.000 1.013 445 V HN 0.885 nan 8.190 nan 0.000 0.430 446 V N 0.697 120.435 119.914 -0.293 0.000 3.167 446 V HA 0.754 4.874 4.120 -0.000 0.000 0.310 446 V C -0.726 175.234 176.094 -0.223 0.000 1.207 446 V CA -1.092 61.137 62.300 -0.118 0.000 1.059 446 V CB 2.182 33.862 31.823 -0.238 0.000 1.079 446 V HN 0.988 nan 8.190 nan 0.000 0.446 447 K N 1.003 121.262 120.400 -0.236 0.000 2.292 447 K HA 0.839 5.159 4.320 -0.000 0.000 0.257 447 K C -0.560 175.873 176.600 -0.278 0.000 0.940 447 K CA -0.291 55.780 56.287 -0.361 0.000 0.811 447 K CB 2.002 34.255 32.500 -0.412 0.000 1.120 447 K HN 1.154 nan 8.250 nan 0.000 0.428 448 A N 3.445 126.018 122.820 -0.412 0.000 2.305 448 A HA 0.447 4.767 4.320 -0.000 0.000 0.322 448 A C -0.816 176.626 177.584 -0.236 0.000 1.187 448 A CA -0.704 51.017 52.037 -0.526 0.000 0.825 448 A CB 0.592 19.053 19.000 -0.899 0.000 1.164 448 A HN 0.540 nan 8.150 nan 0.000 0.498 449 K N 2.048 122.364 120.400 -0.140 0.000 2.394 449 K HA 0.336 4.656 4.320 -0.000 0.000 0.260 449 K C -0.372 176.273 176.600 0.074 0.000 0.967 449 K CA -0.287 55.988 56.287 -0.020 0.000 0.855 449 K CB 1.830 34.300 32.500 -0.048 0.000 1.101 449 K HN 0.637 nan 8.250 nan 0.000 0.433 450 S N 1.934 117.694 115.700 0.100 0.000 2.564 450 S HA 0.077 4.547 4.470 -0.000 0.000 0.278 450 S C 0.753 175.298 174.600 -0.092 0.000 1.333 450 S CA -0.103 58.083 58.200 -0.024 0.000 1.048 450 S CB 0.445 63.624 63.200 -0.034 0.000 0.900 450 S HN 0.489 nan 8.310 nan 0.000 0.505 451 K N 2.102 122.399 120.400 -0.171 0.000 2.444 451 K HA 0.121 4.441 4.320 -0.000 0.000 0.193 451 K C -0.276 176.260 176.600 -0.107 0.000 1.024 451 K CA -0.151 56.065 56.287 -0.119 0.000 1.077 451 K CB 0.072 32.497 32.500 -0.126 0.000 0.833 451 K HN 0.493 nan 8.250 nan 0.000 0.517 452 K N 0.721 121.051 120.400 -0.116 0.000 3.419 452 K HA -0.185 4.135 4.320 -0.000 0.000 0.272 452 K C -0.795 175.771 176.600 -0.057 0.000 0.973 452 K CA 0.851 57.092 56.287 -0.077 0.000 0.749 452 K CB -2.211 30.259 32.500 -0.049 0.000 1.403 452 K HN 0.283 nan 8.250 nan 0.000 0.456 453 I N 1.452 121.997 120.570 -0.043 0.000 2.355 453 I HA 0.208 4.378 4.170 -0.000 0.000 0.288 453 I C -1.964 174.223 176.117 0.118 0.000 0.999 453 I CA -2.299 58.996 61.300 -0.008 0.000 1.163 453 I CB 1.511 39.422 38.000 -0.148 0.000 1.316 453 I HN -0.101 nan 8.210 nan 0.000 0.454 454 P HA 0.074 nan 4.420 nan 0.000 0.268 454 P C -0.748 176.610 177.300 0.097 0.000 1.205 454 P CA -0.346 62.779 63.100 0.042 0.000 0.771 454 P CB 0.398 32.105 31.700 0.013 0.000 0.858 455 L N 0.450 121.677 121.223 0.007 0.000 2.556 455 L HA 0.721 5.060 4.340 -0.000 0.000 0.245 455 L C 1.156 178.021 176.870 -0.007 0.000 1.174 455 L CA -0.180 54.657 54.840 -0.006 0.000 1.117 455 L CB -0.544 41.407 42.059 -0.179 0.000 1.409 455 L HN 0.695 nan 8.230 nan 0.000 0.411 456 G N -1.261 107.550 108.800 0.017 0.000 2.367 456 G HA2 0.364 4.323 3.960 -0.000 0.000 0.181 456 G HA3 0.364 4.323 3.960 -0.000 0.000 0.181 456 G C 0.389 175.293 174.900 0.007 0.000 1.000 456 G CA -0.136 44.970 45.100 0.009 0.000 0.693 456 G HN 1.531 nan 8.290 nan 0.000 0.480 457 G N -0.861 107.942 108.800 0.006 0.000 2.357 457 G HA2 0.443 4.403 3.960 -0.000 0.000 0.643 457 G HA3 0.443 4.403 3.960 -0.000 0.000 0.643 457 G C -0.457 174.441 174.900 -0.003 0.000 1.358 457 G CA -0.160 44.941 45.100 0.003 0.000 0.986 457 G HN 0.995 nan 8.290 nan 0.000 0.620 458 I N 0.000 120.568 120.570 -0.004 0.000 2.984 458 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 458 I CA 0.000 61.296 61.300 -0.006 0.000 1.566 458 I CB 0.000 37.996 38.000 -0.006 0.000 1.214 458 I HN 0.000 nan 8.210 nan 0.000 0.494