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 3a12_1_C DATA FIRST_RESID 7 DATA SEQUENCE TIYDYYVDKG YEPSKKRDII AVFRVTPAEG YTIEQAAGAV AAESSTGTWT DATA SEQUENCE TLYPWYEQER WADLSAKAYD FHDMGDGSWI VRIAYPFHAF EEANLPGLLA DATA SEQUENCE SIAGNIFGMK RVKGLRLEDL YFPEKLIREF DGPAFGIEGV RKMLEIKDRP DATA SEQUENCE IYGVVPKPKV GYSPEEFEKL AYDLLSNGAD YMXDDENLTS PWYNRFEERA DATA SEQUENCE EIMAKIIDKV ENETGEKKTW FANITADLLE MEQRLEVLAD LGLKHAMVDV DATA SEQUENCE VITGWGALRY IRDLAADYGL AIHGHRAMHA AFTRNPYHGI SMFVLAKLYR DATA SEQUENCE LIGIDQLHVG TAGAGKLEGG KWDVIQNARI LRESHYKPDE NDVFHLEQKF DATA SEQUENCE YSIKAAFPTS SGGLHPGNIQ PVIEALGTDI VLQLGGGTLG HPDGPAAGAR DATA SEQUENCE AVRQAIDAIM QGIPLDEYAK THKELARALE KWGHVTPV 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.712 174.700 0.019 0.000 1.109 7 T CA 0.000 62.125 62.100 0.042 0.000 1.349 7 T CB 0.000 68.964 68.868 0.160 0.000 0.612 8 I N 0.879 121.386 120.570 -0.104 0.000 3.428 8 I HA 0.129 4.299 4.170 -0.000 0.000 0.286 8 I C 1.513 177.751 176.117 0.201 0.000 1.287 8 I CA 0.284 61.580 61.300 -0.007 0.000 1.396 8 I CB -0.581 37.358 38.000 -0.100 0.000 1.062 8 I HN 0.681 nan 8.210 nan 0.000 0.471 9 Y N 1.092 121.543 120.300 0.253 0.000 2.561 9 Y HA -0.034 4.516 4.550 -0.000 0.000 0.291 9 Y C 2.502 178.611 175.900 0.348 0.000 1.141 9 Y CA 0.393 58.680 58.100 0.312 0.000 1.303 9 Y CB -1.670 36.882 38.460 0.152 0.000 1.015 9 Y HN 0.398 nan 8.280 nan 0.000 0.547 10 D N -0.731 119.892 120.400 0.372 0.000 2.221 10 D HA -0.292 4.348 4.640 -0.000 0.000 0.204 10 D C 1.838 178.276 176.300 0.229 0.000 0.982 10 D CA 1.295 55.444 54.000 0.249 0.000 0.857 10 D CB -1.129 39.765 40.800 0.158 0.000 0.934 10 D HN 0.532 nan 8.370 nan 0.000 0.475 11 Y N -0.483 119.904 120.300 0.145 0.000 2.315 11 Y HA -0.163 4.386 4.550 -0.000 0.000 0.288 11 Y C 1.497 177.300 175.900 -0.161 0.000 1.154 11 Y CA 1.579 59.655 58.100 -0.039 0.000 1.229 11 Y CB -0.195 38.191 38.460 -0.124 0.000 0.980 11 Y HN 0.388 nan 8.280 nan 0.000 0.540 12 Y N -1.147 119.227 120.300 0.124 0.000 2.466 12 Y HA 0.189 4.739 4.550 -0.000 0.000 0.272 12 Y C 0.383 176.260 175.900 -0.037 0.000 1.169 12 Y CA -0.290 57.817 58.100 0.011 0.000 1.285 12 Y CB 0.130 38.641 38.460 0.086 0.000 1.078 12 Y HN -0.250 nan 8.280 nan 0.000 0.523 13 V N 1.525 121.500 119.914 0.102 0.000 2.406 13 V HA 0.145 4.265 4.120 -0.000 0.000 0.272 13 V C -0.479 175.629 176.094 0.024 0.000 1.043 13 V CA -0.357 62.015 62.300 0.120 0.000 0.915 13 V CB 1.245 33.140 31.823 0.119 0.000 0.988 13 V HN 0.089 nan 8.190 nan 0.000 0.466 14 D N 3.861 124.315 120.400 0.089 0.000 2.429 14 D HA 0.256 4.896 4.640 -0.000 0.000 0.255 14 D C 0.782 177.205 176.300 0.204 0.000 1.257 14 D CA -0.476 53.564 54.000 0.066 0.000 0.890 14 D CB 1.097 41.880 40.800 -0.029 0.000 1.267 14 D HN 0.434 nan 8.370 nan 0.000 0.521 15 K N 0.438 120.941 120.400 0.172 0.000 2.442 15 K HA 0.041 4.361 4.320 -0.000 0.000 0.198 15 K C 1.666 178.381 176.600 0.191 0.000 1.042 15 K CA 0.760 57.176 56.287 0.215 0.000 0.958 15 K CB 0.423 32.984 32.500 0.101 0.000 0.766 15 K HN 0.306 nan 8.250 nan 0.000 0.474 16 G N -0.002 108.886 108.800 0.147 0.000 2.939 16 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.210 16 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.210 16 G C -0.083 174.895 174.900 0.129 0.000 1.160 16 G CA -0.265 44.903 45.100 0.113 0.000 0.770 16 G HN 0.176 nan 8.290 nan 0.000 0.543 17 Y N 1.410 121.739 120.300 0.050 0.000 2.425 17 Y HA 0.452 5.002 4.550 -0.000 0.000 0.331 17 Y C -0.264 175.588 175.900 -0.080 0.000 1.157 17 Y CA -0.926 57.161 58.100 -0.023 0.000 1.372 17 Y CB 0.981 39.414 38.460 -0.044 0.000 1.253 17 Y HN 0.002 nan 8.280 nan 0.000 0.536 18 E N 8.107 127.791 120.200 -0.860 0.000 2.129 18 E HA 0.402 4.752 4.350 -0.000 0.000 0.268 18 E C -2.675 173.281 176.600 -1.073 0.000 0.900 18 E CA -2.689 53.289 56.400 -0.704 0.000 0.755 18 E CB 0.912 30.388 29.700 -0.373 0.000 1.117 18 E HN 0.368 nan 8.360 nan 0.000 0.410 19 P HA 0.080 nan 4.420 nan 0.000 0.275 19 P C -0.624 176.512 177.300 -0.274 0.000 1.228 19 P CA -0.468 62.309 63.100 -0.539 0.000 0.786 19 P CB 1.279 32.740 31.700 -0.398 0.000 0.927 20 S N 1.427 117.070 115.700 -0.096 0.000 2.439 20 S HA 0.138 4.608 4.470 -0.000 0.000 0.282 20 S C 1.156 175.805 174.600 0.082 0.000 1.170 20 S CA -0.535 57.664 58.200 -0.002 0.000 1.054 20 S CB -0.001 63.236 63.200 0.062 0.000 0.956 20 S HN 0.251 nan 8.310 nan 0.000 0.490 21 K N 3.092 123.527 120.400 0.058 0.000 2.211 21 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 21 K C 1.390 178.148 176.600 0.264 0.000 1.047 21 K CA 1.086 57.451 56.287 0.130 0.000 0.935 21 K CB 0.070 32.618 32.500 0.080 0.000 0.728 21 K HN 0.450 nan 8.250 nan 0.000 0.452 22 K N -0.090 120.424 120.400 0.190 0.000 2.352 22 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 22 K C 1.451 178.190 176.600 0.231 0.000 1.038 22 K CA 0.598 56.990 56.287 0.175 0.000 1.023 22 K CB 0.552 33.119 32.500 0.113 0.000 0.840 22 K HN 0.124 nan 8.250 nan 0.000 0.519 23 R N 0.052 120.726 120.500 0.290 0.000 2.369 23 R HA 0.140 4.480 4.340 -0.000 0.000 0.210 23 R C -0.288 176.273 176.300 0.435 0.000 0.881 23 R CA -0.031 56.325 56.100 0.426 0.000 1.031 23 R CB 0.779 31.245 30.300 0.277 0.000 1.184 23 R HN -0.003 nan 8.270 nan 0.000 0.581 24 D N 0.905 121.527 120.400 0.370 0.000 2.192 24 D HA 0.278 4.917 4.640 -0.000 0.000 0.246 24 D C -0.366 176.220 176.300 0.477 0.000 1.042 24 D CA -0.352 53.879 54.000 0.385 0.000 0.847 24 D CB 2.009 42.994 40.800 0.309 0.000 1.186 24 D HN -0.072 nan 8.370 nan 0.000 0.461 25 I N 2.299 123.156 120.570 0.480 0.000 2.441 25 I HA 0.219 4.389 4.170 -0.000 0.000 0.287 25 I C 0.265 176.719 176.117 0.562 0.000 1.049 25 I CA -0.220 61.376 61.300 0.494 0.000 1.381 25 I CB 0.772 38.995 38.000 0.371 0.000 1.409 25 I HN 0.102 nan 8.210 nan 0.000 0.523 26 I N 5.980 126.882 120.570 0.554 0.000 2.389 26 I HA 0.507 4.677 4.170 -0.000 0.000 0.288 26 I C -0.017 176.298 176.117 0.331 0.000 0.999 26 I CA -0.556 61.026 61.300 0.470 0.000 1.129 26 I CB 1.698 39.932 38.000 0.390 0.000 1.288 26 I HN 0.577 nan 8.210 nan 0.000 0.444 27 A N 6.613 129.626 122.820 0.322 0.000 2.274 27 A HA 0.716 5.036 4.320 -0.000 0.000 0.309 27 A C -0.467 177.052 177.584 -0.109 0.000 1.226 27 A CA -0.462 51.583 52.037 0.014 0.000 0.853 27 A CB 0.873 19.886 19.000 0.022 0.000 1.146 27 A HN 0.472 nan 8.150 nan 0.000 0.518 28 V N 3.282 123.045 119.914 -0.251 0.000 2.347 28 V HA 0.440 4.560 4.120 -0.000 0.000 0.280 28 V C -0.895 175.023 176.094 -0.292 0.000 1.021 28 V CA -0.099 62.104 62.300 -0.161 0.000 0.847 28 V CB 0.152 31.947 31.823 -0.046 0.000 0.990 28 V HN 0.687 nan 8.190 nan 0.000 0.444 29 F N 3.135 123.113 119.950 0.046 0.000 2.508 29 F HA 0.601 5.128 4.527 -0.000 0.000 0.325 29 F C 0.486 176.344 175.800 0.097 0.000 1.090 29 F CA -0.830 57.210 58.000 0.066 0.000 0.945 29 F CB 1.809 40.823 39.000 0.023 0.000 1.156 29 F HN 0.306 nan 8.300 nan 0.000 0.463 30 R N 2.543 123.253 120.500 0.350 0.000 2.205 30 R HA 0.586 4.926 4.340 -0.000 0.000 0.342 30 R C -1.694 174.805 176.300 0.332 0.000 1.058 30 R CA -0.257 56.033 56.100 0.317 0.000 0.904 30 R CB 0.417 30.890 30.300 0.288 0.000 1.089 30 R HN 0.537 nan 8.270 nan 0.000 0.471 31 V N 4.103 124.204 119.914 0.312 0.000 2.370 31 V HA 0.297 4.417 4.120 -0.000 0.000 0.283 31 V C -0.086 176.195 176.094 0.313 0.000 1.023 31 V CA -0.579 61.874 62.300 0.256 0.000 0.857 31 V CB 1.813 33.732 31.823 0.158 0.000 0.985 31 V HN 0.730 nan 8.190 nan 0.000 0.443 32 T N 7.806 122.523 114.554 0.273 0.000 2.821 32 T HA 0.368 4.718 4.350 -0.000 0.000 0.307 32 T C -2.548 172.260 174.700 0.181 0.000 1.034 32 T CA -1.151 61.102 62.100 0.254 0.000 0.953 32 T CB 1.438 70.436 68.868 0.217 0.000 0.968 32 T HN 0.475 nan 8.240 nan 0.000 0.462 33 P HA 0.285 nan 4.420 nan 0.000 0.271 33 P C -0.247 177.141 177.300 0.146 0.000 1.218 33 P CA -0.440 62.741 63.100 0.135 0.000 0.780 33 P CB 0.564 32.354 31.700 0.149 0.000 0.901 34 A N 1.680 124.583 122.820 0.137 0.000 2.406 34 A HA 0.401 4.721 4.320 -0.000 0.000 0.243 34 A C 0.830 178.566 177.584 0.254 0.000 1.082 34 A CA 0.024 52.166 52.037 0.174 0.000 0.786 34 A CB -0.915 18.174 19.000 0.149 0.000 1.029 34 A HN 0.663 nan 8.150 nan 0.000 0.495 35 E N -0.193 120.112 120.200 0.175 0.000 2.558 35 E HA 0.401 4.751 4.350 -0.000 0.000 0.255 35 E C 1.360 178.016 176.600 0.093 0.000 0.968 35 E CA 0.714 57.185 56.400 0.119 0.000 0.939 35 E CB -0.656 29.088 29.700 0.073 0.000 0.921 35 E HN 2.573 nan 8.360 nan 0.000 0.477 36 G N 1.098 109.904 108.800 0.010 0.000 2.176 36 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.232 36 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.232 36 G C 0.027 174.732 174.900 -0.324 0.000 0.986 36 G CA 0.289 45.290 45.100 -0.165 0.000 0.643 36 G HN 0.755 nan 8.290 nan 0.000 0.522 37 Y N 1.695 122.014 120.300 0.033 0.000 2.387 37 Y HA 0.590 5.140 4.550 -0.000 0.000 0.336 37 Y C 1.203 177.108 175.900 0.008 0.000 1.067 37 Y CA -0.041 58.075 58.100 0.027 0.000 1.114 37 Y CB 1.626 40.108 38.460 0.037 0.000 1.208 37 Y HN 0.270 nan 8.280 nan 0.000 0.458 38 T N -0.702 113.925 114.554 0.122 0.000 2.828 38 T HA 0.120 4.470 4.350 -0.000 0.000 0.290 38 T C 1.070 175.748 174.700 -0.038 0.000 1.019 38 T CA -0.541 61.563 62.100 0.007 0.000 1.031 38 T CB 0.852 69.691 68.868 -0.048 0.000 1.001 38 T HN 0.637 nan 8.240 nan 0.000 0.531 39 I N 0.911 121.340 120.570 -0.234 0.000 2.286 39 I HA -0.066 4.104 4.170 -0.000 0.000 0.248 39 I C 2.163 178.211 176.117 -0.114 0.000 1.115 39 I CA 1.593 62.699 61.300 -0.323 0.000 1.392 39 I CB -0.728 36.673 38.000 -0.999 0.000 1.065 39 I HN 0.810 nan 8.210 nan 0.000 0.418 40 E N 0.116 120.204 120.200 -0.187 0.000 2.110 40 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 40 E C 2.210 178.836 176.600 0.043 0.000 0.988 40 E CA 1.376 57.721 56.400 -0.091 0.000 0.804 40 E CB -0.274 29.290 29.700 -0.228 0.000 0.745 40 E HN 0.621 nan 8.360 nan 0.000 0.458 41 Q N -0.282 119.552 119.800 0.057 0.000 2.167 41 Q HA -0.033 4.306 4.340 -0.000 0.000 0.202 41 Q C 2.099 178.147 176.000 0.080 0.000 0.970 41 Q CA 1.211 57.097 55.803 0.138 0.000 0.855 41 Q CB -0.059 28.826 28.738 0.243 0.000 0.911 41 Q HN 0.302 nan 8.270 nan 0.000 0.438 42 A N 1.005 123.843 122.820 0.030 0.000 1.855 42 A HA -0.002 4.318 4.320 -0.000 0.000 0.213 42 A C 2.305 179.837 177.584 -0.085 0.000 1.195 42 A CA 1.254 53.261 52.037 -0.050 0.000 0.610 42 A CB -0.846 18.142 19.000 -0.020 0.000 0.837 42 A HN 0.361 nan 8.150 nan 0.000 0.444 43 A N -0.246 122.571 122.820 -0.005 0.000 1.892 43 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 43 A C 2.433 179.993 177.584 -0.039 0.000 1.188 43 A CA 2.190 54.218 52.037 -0.015 0.000 0.631 43 A CB -1.533 17.561 19.000 0.157 0.000 0.822 43 A HN 0.798 nan 8.150 nan 0.000 0.447 44 G N -0.700 108.129 108.800 0.048 0.000 2.440 44 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 44 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 44 G C 1.734 176.535 174.900 -0.164 0.000 1.154 44 G CA 1.562 46.714 45.100 0.087 0.000 0.767 44 G HN 0.864 nan 8.290 nan 0.000 0.552 45 A N 0.000 122.591 122.820 -0.382 0.000 1.930 45 A HA 0.109 4.429 4.320 -0.000 0.000 0.217 45 A C 2.598 179.775 177.584 -0.679 0.000 1.175 45 A CA 1.759 53.193 52.037 -1.005 0.000 0.627 45 A CB -0.544 18.002 19.000 -0.756 0.000 0.815 45 A HN 0.256 nan 8.150 nan 0.000 0.443 46 V N -0.298 119.349 119.914 -0.444 0.000 2.358 46 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 46 V C 3.016 178.902 176.094 -0.345 0.000 1.047 46 V CA 1.896 63.936 62.300 -0.434 0.000 1.035 46 V CB -1.051 30.460 31.823 -0.520 0.000 0.658 46 V HN 0.606 nan 8.190 nan 0.000 0.452 47 A N -0.212 122.444 122.820 -0.273 0.000 1.929 47 A HA 0.006 4.326 4.320 -0.000 0.000 0.216 47 A C 2.410 179.762 177.584 -0.387 0.000 1.176 47 A CA 1.741 53.659 52.037 -0.198 0.000 0.628 47 A CB -0.671 18.283 19.000 -0.077 0.000 0.816 47 A HN 0.529 nan 8.150 nan 0.000 0.444 48 A N -0.115 122.278 122.820 -0.712 0.000 1.858 48 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 48 A C 1.883 179.200 177.584 -0.444 0.000 1.190 48 A CA 1.666 53.059 52.037 -1.072 0.000 0.617 48 A CB -0.428 18.153 19.000 -0.699 0.000 0.827 48 A HN 0.444 nan 8.150 nan 0.000 0.443 49 E N 0.295 120.297 120.200 -0.330 0.000 2.427 49 E HA -0.053 4.296 4.350 -0.000 0.000 0.196 49 E C 1.769 178.318 176.600 -0.086 0.000 1.028 49 E CA 1.028 57.334 56.400 -0.156 0.000 0.864 49 E CB -0.162 29.437 29.700 -0.169 0.000 0.813 49 E HN 0.730 nan 8.360 nan 0.000 0.514 50 S N -0.642 115.017 115.700 -0.068 0.000 2.577 50 S HA 0.117 4.587 4.470 -0.000 0.000 0.219 50 S C 1.399 176.113 174.600 0.190 0.000 0.962 50 S CA 0.338 58.577 58.200 0.065 0.000 0.921 50 S CB 0.234 63.511 63.200 0.127 0.000 0.789 50 S HN 0.159 nan 8.310 nan 0.000 0.497 51 S N 1.579 117.333 115.700 0.090 0.000 4.002 51 S HA 0.192 4.662 4.470 -0.000 0.000 0.167 51 S C 1.281 175.902 174.600 0.035 0.000 0.914 51 S CA 0.551 58.809 58.200 0.095 0.000 1.110 51 S CB -0.225 63.048 63.200 0.121 0.000 1.714 51 S HN 0.502 nan 8.310 nan 0.000 0.858 52 T N -0.660 113.929 114.554 0.059 0.000 3.040 52 T HA 0.526 4.876 4.350 -0.000 0.000 0.266 52 T C 0.814 175.704 174.700 0.318 0.000 1.005 52 T CA 0.323 62.517 62.100 0.156 0.000 0.906 52 T CB 0.132 69.035 68.868 0.057 0.000 1.082 52 T HN 0.741 nan 8.240 nan 0.000 0.531 53 G N 0.021 108.933 108.800 0.187 0.000 2.557 53 G HA2 0.603 4.563 3.960 -0.000 0.000 0.302 53 G HA3 0.603 4.563 3.960 -0.000 0.000 0.302 53 G C -0.932 174.092 174.900 0.207 0.000 1.311 53 G CA -0.392 44.872 45.100 0.273 0.000 1.030 53 G HN 0.332 nan 8.290 nan 0.000 0.509 54 T N -1.897 112.791 114.554 0.224 0.000 2.671 54 T HA 0.363 4.713 4.350 -0.000 0.000 0.300 54 T C 0.201 174.983 174.700 0.137 0.000 1.238 54 T CA -0.246 61.984 62.100 0.217 0.000 1.020 54 T CB 0.735 69.666 68.868 0.105 0.000 1.503 54 T HN 0.683 nan 8.240 nan 0.000 0.497 55 W N 0.601 121.936 121.300 0.059 0.000 2.584 55 W HA 0.268 4.928 4.660 -0.000 0.000 0.264 55 W C 0.492 176.913 176.519 -0.162 0.000 1.264 55 W CA 0.633 57.921 57.345 -0.095 0.000 1.306 55 W CB -1.085 28.400 29.460 0.042 0.000 1.110 55 W HN 0.540 nan 8.180 nan 0.000 0.606 56 T N 1.547 115.557 114.554 -0.907 0.000 2.905 56 T HA 0.383 4.733 4.350 -0.000 0.000 0.283 56 T C -0.053 174.386 174.700 -0.435 0.000 1.031 56 T CA -0.010 61.602 62.100 -0.815 0.000 1.002 56 T CB 1.566 69.626 68.868 -1.346 0.000 1.200 56 T HN -0.017 nan 8.240 nan 0.000 0.560 57 T N 2.011 116.379 114.554 -0.309 0.000 2.817 57 T HA 0.578 4.928 4.350 -0.000 0.000 0.293 57 T C -0.256 174.355 174.700 -0.148 0.000 0.964 57 T CA -0.895 61.093 62.100 -0.186 0.000 1.085 57 T CB 0.353 69.142 68.868 -0.132 0.000 0.921 57 T HN 0.286 nan 8.240 nan 0.000 0.502 58 L N 2.771 123.934 121.223 -0.100 0.000 2.344 58 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 58 L C -0.236 176.681 176.870 0.078 0.000 1.035 58 L CA -1.100 53.746 54.840 0.010 0.000 0.807 58 L CB 1.553 43.645 42.059 0.056 0.000 1.237 58 L HN 0.873 nan 8.230 nan 0.000 0.442 59 Y N 5.055 125.399 120.300 0.073 0.000 2.402 59 Y HA 0.253 4.803 4.550 -0.000 0.000 0.333 59 Y C -1.699 174.295 175.900 0.157 0.000 1.076 59 Y CA -1.633 56.516 58.100 0.082 0.000 1.299 59 Y CB 0.824 39.334 38.460 0.082 0.000 1.197 59 Y HN 0.313 nan 8.280 nan 0.000 0.517 60 P HA -0.025 nan 4.420 nan 0.000 0.271 60 P C -0.341 176.638 177.300 -0.535 0.000 1.380 60 P CA 0.271 62.956 63.100 -0.691 0.000 0.992 60 P CB -0.341 30.961 31.700 -0.663 0.000 1.230 61 W N 4.106 125.196 121.300 -0.350 0.000 2.702 61 W HA 0.206 4.865 4.660 -0.000 0.000 0.369 61 W C -1.110 175.411 176.519 0.002 0.000 0.987 61 W CA -0.700 56.630 57.345 -0.025 0.000 1.702 61 W CB -0.811 28.816 29.460 0.280 0.000 1.138 61 W HN 0.157 nan 8.180 nan 0.000 0.552 62 Y N -0.889 119.073 120.300 -0.562 0.000 2.609 62 Y HA 0.605 5.155 4.550 -0.000 0.000 0.342 62 Y C -0.150 175.546 175.900 -0.341 0.000 1.058 62 Y CA -2.270 55.475 58.100 -0.592 0.000 1.055 62 Y CB 0.391 38.232 38.460 -1.031 0.000 1.292 62 Y HN -0.065 nan 8.280 nan 0.000 0.476 63 E N 1.766 121.915 120.200 -0.084 0.000 2.292 63 E HA -0.054 4.296 4.350 -0.000 0.000 0.265 63 E C 0.542 177.163 176.600 0.034 0.000 1.093 63 E CA 0.039 56.399 56.400 -0.068 0.000 0.922 63 E CB 1.062 30.756 29.700 -0.010 0.000 1.001 63 E HN 0.841 nan 8.360 nan 0.000 0.444 64 Q N 3.797 123.534 119.800 -0.104 0.000 2.135 64 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 64 Q C 2.075 178.192 176.000 0.195 0.000 0.981 64 Q CA 2.689 58.502 55.803 0.017 0.000 0.856 64 Q CB -0.041 28.621 28.738 -0.126 0.000 0.902 64 Q HN 0.750 nan 8.270 nan 0.000 0.425 65 E N 0.741 120.997 120.200 0.094 0.000 2.106 65 E HA -0.203 4.147 4.350 -0.000 0.000 0.192 65 E C 1.852 178.508 176.600 0.093 0.000 0.984 65 E CA 1.332 57.785 56.400 0.088 0.000 0.806 65 E CB -0.683 29.039 29.700 0.037 0.000 0.750 65 E HN 0.472 nan 8.360 nan 0.000 0.458 66 R N -1.468 119.089 120.500 0.096 0.000 2.066 66 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 66 R C 2.330 178.669 176.300 0.066 0.000 1.131 66 R CA 1.727 57.865 56.100 0.064 0.000 0.955 66 R CB -0.542 29.788 30.300 0.050 0.000 0.851 66 R HN 0.651 nan 8.270 nan 0.000 0.432 67 W N 1.195 122.464 121.300 -0.052 0.000 2.318 67 W HA -0.241 4.419 4.660 -0.000 0.000 0.313 67 W C 1.965 178.437 176.519 -0.079 0.000 1.221 67 W CA 2.443 59.727 57.345 -0.101 0.000 1.266 67 W CB -0.416 28.986 29.460 -0.096 0.000 1.150 67 W HN 0.210 nan 8.180 nan 0.000 0.496 68 A N -0.187 122.598 122.820 -0.059 0.000 1.930 68 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 68 A C 1.683 179.106 177.584 -0.269 0.000 1.175 68 A CA 2.122 53.968 52.037 -0.318 0.000 0.627 68 A CB -1.271 17.765 19.000 0.061 0.000 0.815 68 A HN 0.441 nan 8.150 nan 0.000 0.443 69 D N -0.303 120.012 120.400 -0.141 0.000 2.178 69 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 69 D C 1.559 177.734 176.300 -0.209 0.000 0.980 69 D CA 1.065 54.999 54.000 -0.109 0.000 0.842 69 D CB -0.119 40.674 40.800 -0.011 0.000 0.948 69 D HN 0.438 nan 8.370 nan 0.000 0.472 70 L N -0.349 120.692 121.223 -0.304 0.000 2.585 70 L HA 0.212 4.552 4.340 -0.000 0.000 0.226 70 L C 0.683 177.336 176.870 -0.361 0.000 1.113 70 L CA -0.202 54.405 54.840 -0.388 0.000 0.876 70 L CB 0.140 41.980 42.059 -0.364 0.000 1.072 70 L HN -0.136 nan 8.230 nan 0.000 0.468 71 S N 0.768 116.219 115.700 -0.415 0.000 2.576 71 S HA 0.494 4.964 4.470 -0.000 0.000 0.276 71 S C 0.460 174.923 174.600 -0.228 0.000 1.339 71 S CA -0.592 57.413 58.200 -0.324 0.000 1.039 71 S CB 1.459 64.338 63.200 -0.535 0.000 0.902 71 S HN 0.274 nan 8.310 nan 0.000 0.516 72 A N 3.094 125.844 122.820 -0.116 0.000 2.287 72 A HA 0.566 4.886 4.320 -0.000 0.000 0.273 72 A C -0.184 177.269 177.584 -0.218 0.000 1.091 72 A CA -0.530 51.315 52.037 -0.320 0.000 0.817 72 A CB 0.416 19.004 19.000 -0.688 0.000 1.069 72 A HN 0.767 nan 8.150 nan 0.000 0.492 73 K N 0.673 120.896 120.400 -0.294 0.000 2.545 73 K HA 0.511 4.831 4.320 -0.000 0.000 0.252 73 K C -0.913 175.703 176.600 0.026 0.000 0.948 73 K CA -0.403 55.781 56.287 -0.173 0.000 0.827 73 K CB 2.135 34.393 32.500 -0.403 0.000 1.128 73 K HN 0.725 nan 8.250 nan 0.000 0.429 74 A N 3.352 126.209 122.820 0.061 0.000 2.376 74 A HA 0.199 4.519 4.320 -0.000 0.000 0.298 74 A C 0.092 177.782 177.584 0.178 0.000 1.271 74 A CA -0.177 51.882 52.037 0.038 0.000 0.926 74 A CB -0.630 18.378 19.000 0.013 0.000 1.141 74 A HN 0.920 nan 8.150 nan 0.000 0.539 75 Y N -0.030 120.310 120.300 0.066 0.000 2.426 75 Y HA 0.419 4.969 4.550 -0.000 0.000 0.249 75 Y C 0.013 176.037 175.900 0.207 0.000 1.103 75 Y CA -0.438 57.778 58.100 0.192 0.000 1.256 75 Y CB 0.621 39.229 38.460 0.247 0.000 1.208 75 Y HN 0.443 nan 8.280 nan 0.000 0.519 76 D N 0.759 120.830 120.400 -0.548 0.000 2.863 76 D HA 0.278 4.918 4.640 -0.000 0.000 0.245 76 D C -1.900 174.229 176.300 -0.285 0.000 1.211 76 D CA -0.421 53.416 54.000 -0.272 0.000 0.888 76 D CB 1.529 42.049 40.800 -0.467 0.000 1.483 76 D HN 0.085 nan 8.370 nan 0.000 0.533 77 F N 2.306 122.277 119.950 0.036 0.000 2.493 77 F HA 0.290 4.817 4.527 -0.000 0.000 0.329 77 F C 0.017 176.013 175.800 0.327 0.000 1.126 77 F CA -0.948 57.157 58.000 0.176 0.000 0.937 77 F CB 1.755 40.820 39.000 0.108 0.000 1.146 77 F HN 0.356 nan 8.300 nan 0.000 0.442 78 H N 1.973 121.277 119.070 0.390 0.000 2.658 78 H HA 0.246 4.802 4.556 -0.000 0.000 0.337 78 H C -1.241 174.113 175.328 0.043 0.000 1.009 78 H CA -0.816 55.347 56.048 0.191 0.000 1.231 78 H CB 1.138 30.902 29.762 0.004 0.000 1.508 78 H HN 0.497 nan 8.280 nan 0.000 0.517 79 D N 5.242 125.163 120.400 -0.799 0.000 2.339 79 D HA -0.007 4.633 4.640 -0.000 0.000 0.256 79 D C 0.825 176.523 176.300 -1.003 0.000 1.214 79 D CA -0.195 52.907 54.000 -1.496 0.000 0.877 79 D CB 0.865 40.733 40.800 -1.553 0.000 1.111 79 D HN 0.605 nan 8.370 nan 0.000 0.478 80 M N 2.378 121.572 119.600 -0.677 0.000 2.419 80 M HA 0.097 4.577 4.480 -0.000 0.000 0.264 80 M C 1.579 177.717 176.300 -0.270 0.000 1.082 80 M CA 0.817 55.936 55.300 -0.303 0.000 1.119 80 M CB -0.798 31.755 32.600 -0.079 0.000 1.398 80 M HN 0.743 nan 8.290 nan 0.000 0.453 81 G N 1.488 110.064 108.800 -0.374 0.000 2.157 81 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.248 81 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.248 81 G C 0.104 174.931 174.900 -0.121 0.000 0.979 81 G CA 0.637 45.591 45.100 -0.243 0.000 0.650 81 G HN 0.569 nan 8.290 nan 0.000 0.529 82 D N -1.234 119.119 120.400 -0.079 0.000 2.513 82 D HA 0.450 5.090 4.640 -0.000 0.000 0.222 82 D C 1.613 177.926 176.300 0.022 0.000 1.210 82 D CA 0.555 54.558 54.000 0.005 0.000 0.825 82 D CB -0.232 40.621 40.800 0.089 0.000 1.037 82 D HN 1.486 nan 8.370 nan 0.000 0.506 83 G N 0.119 108.927 108.800 0.014 0.000 2.194 83 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.236 83 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.236 83 G C 0.325 175.347 174.900 0.204 0.000 0.987 83 G CA 0.226 45.388 45.100 0.103 0.000 0.635 83 G HN 0.932 nan 8.290 nan 0.000 0.520 84 S N -0.955 114.843 115.700 0.162 0.000 2.621 84 S HA 0.842 5.311 4.470 -0.000 0.000 0.302 84 S C -0.889 173.804 174.600 0.154 0.000 1.093 84 S CA -0.658 57.722 58.200 0.300 0.000 1.017 84 S CB 2.027 65.464 63.200 0.395 0.000 1.077 84 S HN 0.651 nan 8.310 nan 0.000 0.517 85 W N 0.563 121.957 121.300 0.158 0.000 2.915 85 W HA 0.544 5.204 4.660 -0.000 0.000 0.337 85 W C -0.868 175.726 176.519 0.125 0.000 1.102 85 W CA -1.030 56.394 57.345 0.133 0.000 1.224 85 W CB 1.228 30.778 29.460 0.150 0.000 1.416 85 W HN 0.470 nan 8.180 nan 0.000 0.503 86 I N 3.982 124.737 120.570 0.309 0.000 2.337 86 I HA 0.240 4.409 4.170 -0.000 0.000 0.291 86 I C -0.143 176.037 176.117 0.105 0.000 1.046 86 I CA -0.783 60.622 61.300 0.174 0.000 1.324 86 I CB -0.043 37.973 38.000 0.028 0.000 1.409 86 I HN 0.063 nan 8.210 nan 0.000 0.494 87 V N 7.771 127.695 119.914 0.017 0.000 2.487 87 V HA 0.445 4.565 4.120 -0.000 0.000 0.298 87 V C 0.316 176.304 176.094 -0.176 0.000 1.028 87 V CA -0.905 61.246 62.300 -0.248 0.000 0.860 87 V CB 2.018 33.642 31.823 -0.331 0.000 0.991 87 V HN 0.629 nan 8.190 nan 0.000 0.427 88 R N 4.743 125.012 120.500 -0.384 0.000 2.312 88 R HA 0.714 5.054 4.340 -0.000 0.000 0.311 88 R C -1.040 175.100 176.300 -0.267 0.000 1.004 88 R CA -0.431 55.472 56.100 -0.328 0.000 0.902 88 R CB 1.548 31.504 30.300 -0.573 0.000 1.073 88 R HN 0.597 nan 8.270 nan 0.000 0.457 89 I N 1.824 122.473 120.570 0.132 0.000 2.466 89 I HA 0.392 4.561 4.170 -0.000 0.000 0.289 89 I C -0.307 176.000 176.117 0.316 0.000 1.026 89 I CA -0.882 60.541 61.300 0.205 0.000 1.078 89 I CB 2.134 40.259 38.000 0.208 0.000 1.249 89 I HN 0.609 nan 8.210 nan 0.000 0.429 90 A N 6.560 129.502 122.820 0.204 0.000 2.292 90 A HA 0.769 5.089 4.320 -0.000 0.000 0.319 90 A C -1.434 176.077 177.584 -0.121 0.000 1.206 90 A CA -0.248 51.901 52.037 0.187 0.000 0.835 90 A CB 0.422 19.527 19.000 0.175 0.000 1.164 90 A HN 0.638 nan 8.150 nan 0.000 0.505 91 Y N 2.661 123.096 120.300 0.225 0.000 2.409 91 Y HA 0.496 5.046 4.550 -0.000 0.000 0.343 91 Y C -2.180 173.838 175.900 0.195 0.000 0.973 91 Y CA -2.567 55.649 58.100 0.193 0.000 1.064 91 Y CB 2.163 40.857 38.460 0.391 0.000 1.207 91 Y HN 0.497 nan 8.280 nan 0.000 0.452 92 P HA 0.014 nan 4.420 nan 0.000 0.279 92 P C 0.470 177.872 177.300 0.170 0.000 1.239 92 P CA -0.335 62.834 63.100 0.116 0.000 0.789 92 P CB 0.702 32.366 31.700 -0.060 0.000 0.933 93 F N 3.133 123.255 119.950 0.286 0.000 2.202 93 F HA -0.218 4.309 4.527 -0.000 0.000 0.301 93 F C 1.854 177.795 175.800 0.236 0.000 1.082 93 F CA 1.534 59.703 58.000 0.281 0.000 1.313 93 F CB -1.863 37.235 39.000 0.163 0.000 1.024 93 F HN 0.426 nan 8.300 nan 0.000 0.495 94 H N -0.066 118.737 119.070 -0.445 0.000 2.553 94 H HA 0.428 4.984 4.556 -0.000 0.000 0.269 94 H C 1.664 176.875 175.328 -0.196 0.000 1.011 94 H CA 0.537 56.437 56.048 -0.246 0.000 1.150 94 H CB -0.934 28.570 29.762 -0.430 0.000 1.339 94 H HN 0.434 nan 8.280 nan 0.000 0.604 95 A N 0.470 122.934 122.820 -0.592 0.000 2.167 95 A HA 0.161 4.481 4.320 -0.000 0.000 0.214 95 A C 0.010 177.161 177.584 -0.721 0.000 1.151 95 A CA 0.062 51.648 52.037 -0.751 0.000 0.735 95 A CB -0.337 18.092 19.000 -0.951 0.000 0.802 95 A HN 0.198 nan 8.150 nan 0.000 0.467 96 F N -0.554 119.377 119.950 -0.032 0.000 2.522 96 F HA 0.421 4.948 4.527 -0.000 0.000 0.324 96 F C 0.366 176.165 175.800 -0.002 0.000 1.077 96 F CA -1.427 56.560 58.000 -0.021 0.000 0.944 96 F CB 1.038 40.015 39.000 -0.038 0.000 1.175 96 F HN 0.109 nan 8.300 nan 0.000 0.468 97 E N 1.976 122.277 120.200 0.170 0.000 2.414 97 E HA 0.034 4.384 4.350 -0.000 0.000 0.263 97 E C -0.550 176.086 176.600 0.061 0.000 1.000 97 E CA -0.298 56.155 56.400 0.088 0.000 0.914 97 E CB 0.548 30.279 29.700 0.052 0.000 0.948 97 E HN 0.609 nan 8.360 nan 0.000 0.444 98 E N 2.319 122.536 120.200 0.029 0.000 2.413 98 E HA 0.140 4.490 4.350 -0.000 0.000 0.263 98 E C 0.101 176.638 176.600 -0.104 0.000 1.015 98 E CA 0.490 56.867 56.400 -0.038 0.000 0.916 98 E CB 0.587 30.264 29.700 -0.039 0.000 0.947 98 E HN 0.710 nan 8.360 nan 0.000 0.440 99 A N 3.718 126.416 122.820 -0.203 0.000 2.610 99 A HA -0.218 4.101 4.320 -0.000 0.000 0.299 99 A C -0.005 177.467 177.584 -0.186 0.000 1.487 99 A CA 0.943 52.814 52.037 -0.278 0.000 0.743 99 A CB -1.595 17.264 19.000 -0.235 0.000 1.070 99 A HN 0.520 nan 8.150 nan 0.000 0.439 100 N N -0.309 118.299 118.700 -0.154 0.000 2.725 100 N HA 0.337 5.077 4.740 -0.000 0.000 0.248 100 N C 0.354 175.814 175.510 -0.084 0.000 1.402 100 N CA -0.204 52.797 53.050 -0.081 0.000 0.766 100 N CB 0.481 38.949 38.487 -0.032 0.000 1.223 100 N HN 0.378 nan 8.380 nan 0.000 0.515 101 L N 4.094 125.280 121.223 -0.062 0.000 2.012 101 L HA 0.182 4.521 4.340 -0.000 0.000 0.210 101 L C -0.987 175.822 176.870 -0.101 0.000 1.073 101 L CA 2.130 56.945 54.840 -0.042 0.000 0.748 101 L CB -0.917 41.205 42.059 0.105 0.000 0.891 101 L HN 0.336 nan 8.230 nan 0.000 0.431 102 P HA -0.113 nan 4.420 nan 0.000 0.215 102 P C 1.624 178.900 177.300 -0.040 0.000 1.153 102 P CA 1.838 64.926 63.100 -0.020 0.000 0.853 102 P CB -0.394 31.350 31.700 0.073 0.000 0.788 103 G N -0.287 108.502 108.800 -0.018 0.000 2.432 103 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 103 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 103 G C 1.496 176.392 174.900 -0.007 0.000 1.135 103 G CA 0.414 45.520 45.100 0.010 0.000 0.767 103 G HN 0.283 nan 8.290 nan 0.000 0.550 104 L N -0.145 121.010 121.223 -0.112 0.000 2.072 104 L HA 0.179 4.519 4.340 -0.000 0.000 0.205 104 L C 2.671 179.397 176.870 -0.240 0.000 1.079 104 L CA 0.760 55.428 54.840 -0.288 0.000 0.752 104 L CB -0.113 41.653 42.059 -0.488 0.000 0.906 104 L HN 0.166 nan 8.230 nan 0.000 0.436 105 L N -0.106 120.985 121.223 -0.220 0.000 2.141 105 L HA -0.148 4.192 4.340 -0.000 0.000 0.209 105 L C 2.808 179.620 176.870 -0.097 0.000 1.094 105 L CA 0.914 55.624 54.840 -0.217 0.000 0.763 105 L CB -0.810 41.023 42.059 -0.375 0.000 0.908 105 L HN 0.350 nan 8.230 nan 0.000 0.437 106 A N -1.032 121.757 122.820 -0.052 0.000 2.024 106 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 106 A C 2.513 180.110 177.584 0.022 0.000 1.164 106 A CA 2.094 54.135 52.037 0.007 0.000 0.643 106 A CB -0.380 18.637 19.000 0.028 0.000 0.806 106 A HN 0.351 nan 8.150 nan 0.000 0.451 107 S N -0.857 114.857 115.700 0.022 0.000 2.327 107 S HA 0.109 4.579 4.470 -0.000 0.000 0.213 107 S C 1.624 176.221 174.600 -0.006 0.000 1.032 107 S CA 1.078 59.311 58.200 0.055 0.000 0.960 107 S CB -0.255 63.063 63.200 0.197 0.000 0.900 107 S HN 0.507 nan 8.310 nan 0.000 0.469 108 I N 0.766 121.287 120.570 -0.083 0.000 3.578 108 I HA 0.170 4.340 4.170 -0.000 0.000 0.295 108 I C 0.878 177.014 176.117 0.032 0.000 1.280 108 I CA 0.282 61.548 61.300 -0.058 0.000 1.347 108 I CB 0.222 38.089 38.000 -0.222 0.000 1.051 108 I HN 0.212 nan 8.210 nan 0.000 0.460 109 A N 0.226 123.050 122.820 0.008 0.000 2.663 109 A HA 0.646 4.966 4.320 -0.000 0.000 0.273 109 A C 0.569 178.279 177.584 0.210 0.000 0.932 109 A CA -0.046 52.081 52.037 0.151 0.000 1.055 109 A CB -0.445 18.672 19.000 0.195 0.000 1.206 109 A HN 0.302 nan 8.150 nan 0.000 0.485 110 G N 0.060 108.887 108.800 0.045 0.000 3.345 110 G HA2 0.228 4.188 3.960 -0.000 0.000 0.202 110 G HA3 0.228 4.188 3.960 -0.000 0.000 0.202 110 G C 0.747 175.696 174.900 0.080 0.000 1.740 110 G CA 0.204 45.353 45.100 0.083 0.000 0.806 110 G HN 0.200 nan 8.290 nan 0.000 0.718 111 N N 1.116 119.833 118.700 0.028 0.000 2.205 111 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 111 N C 2.389 177.886 175.510 -0.022 0.000 1.015 111 N CA 1.343 54.408 53.050 0.026 0.000 0.862 111 N CB -0.428 38.068 38.487 0.015 0.000 0.986 111 N HN 0.590 nan 8.380 nan 0.000 0.429 112 I N -2.649 117.832 120.570 -0.149 0.000 2.423 112 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 112 I C 1.311 177.300 176.117 -0.213 0.000 1.151 112 I CA 1.237 62.380 61.300 -0.263 0.000 1.421 112 I CB -0.695 37.036 38.000 -0.449 0.000 1.079 112 I HN -0.195 nan 8.210 nan 0.000 0.431 113 F N 2.378 122.328 119.950 0.001 0.000 2.408 113 F HA 0.055 4.582 4.527 -0.000 0.000 0.300 113 F C 2.437 178.333 175.800 0.160 0.000 1.090 113 F CA 1.277 59.318 58.000 0.069 0.000 1.427 113 F CB -0.621 38.397 39.000 0.030 0.000 1.070 113 F HN 0.178 nan 8.300 nan 0.000 0.549 114 G N -1.033 107.902 108.800 0.225 0.000 3.126 114 G HA2 0.171 4.131 3.960 -0.000 0.000 0.224 114 G HA3 0.171 4.131 3.960 -0.000 0.000 0.224 114 G C 0.608 175.547 174.900 0.064 0.000 1.142 114 G CA -0.340 44.849 45.100 0.150 0.000 0.759 114 G HN 0.057 nan 8.290 nan 0.000 0.550 115 M N 0.889 120.502 119.600 0.022 0.000 2.269 115 M HA 0.140 4.620 4.480 -0.000 0.000 0.350 115 M C 1.253 177.533 176.300 -0.032 0.000 1.429 115 M CA 0.210 55.490 55.300 -0.033 0.000 1.063 115 M CB 1.179 33.719 32.600 -0.101 0.000 1.841 115 M HN -0.007 nan 8.290 nan 0.000 0.455 116 K N 1.702 122.076 120.400 -0.043 0.000 2.152 116 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 116 K C 1.831 178.377 176.600 -0.090 0.000 1.048 116 K CA 1.428 57.689 56.287 -0.042 0.000 0.933 116 K CB -0.081 32.400 32.500 -0.032 0.000 0.721 116 K HN 0.486 nan 8.250 nan 0.000 0.447 117 R N 0.585 120.975 120.500 -0.184 0.000 2.241 117 R HA -0.021 4.319 4.340 -0.000 0.000 0.224 117 R C 0.137 176.307 176.300 -0.216 0.000 1.101 117 R CA 0.490 56.363 56.100 -0.378 0.000 0.995 117 R CB 0.239 30.286 30.300 -0.422 0.000 0.870 117 R HN -0.053 nan 8.270 nan 0.000 0.463 118 V N 0.553 120.410 119.914 -0.096 0.000 2.513 118 V HA 0.180 4.300 4.120 -0.000 0.000 0.299 118 V C 0.431 176.551 176.094 0.044 0.000 1.035 118 V CA -0.702 61.592 62.300 -0.011 0.000 0.889 118 V CB 1.825 33.646 31.823 -0.004 0.000 0.988 118 V HN 0.201 nan 8.190 nan 0.000 0.440 119 K N 4.181 124.627 120.400 0.077 0.000 2.314 119 K HA 0.373 4.693 4.320 -0.000 0.000 0.198 119 K C 0.459 177.116 176.600 0.095 0.000 1.045 119 K CA 0.918 57.246 56.287 0.068 0.000 0.988 119 K CB 0.399 32.938 32.500 0.065 0.000 0.783 119 K HN 0.848 nan 8.250 nan 0.000 0.484 120 G N 1.105 110.025 108.800 0.199 0.000 2.755 120 G HA2 0.475 4.435 3.960 -0.000 0.000 0.297 120 G HA3 0.475 4.435 3.960 -0.000 0.000 0.297 120 G C -2.447 172.714 174.900 0.436 0.000 1.441 120 G CA -0.682 44.649 45.100 0.384 0.000 0.964 120 G HN 0.066 nan 8.290 nan 0.000 0.540 121 L N 1.304 122.878 121.223 0.586 0.000 2.482 121 L HA 0.794 5.134 4.340 -0.000 0.000 0.269 121 L C -0.354 176.739 176.870 0.370 0.000 0.967 121 L CA -0.755 54.293 54.840 0.347 0.000 0.851 121 L CB 1.866 44.022 42.059 0.162 0.000 1.242 121 L HN 0.649 nan 8.230 nan 0.000 0.404 122 R N 4.369 125.105 120.500 0.393 0.000 2.393 122 R HA 0.613 4.953 4.340 -0.000 0.000 0.315 122 R C -1.458 175.072 176.300 0.384 0.000 0.952 122 R CA -0.779 55.537 56.100 0.360 0.000 0.842 122 R CB 1.348 31.788 30.300 0.233 0.000 1.163 122 R HN 0.651 nan 8.270 nan 0.000 0.450 123 L N 4.639 126.085 121.223 0.372 0.000 2.385 123 L HA 0.188 4.528 4.340 -0.000 0.000 0.281 123 L C 0.408 177.302 176.870 0.041 0.000 1.106 123 L CA 0.700 55.569 54.840 0.049 0.000 0.856 123 L CB 0.898 42.995 42.059 0.063 0.000 1.186 123 L HN 0.801 nan 8.230 nan 0.000 0.453 124 E N 2.367 122.558 120.200 -0.014 0.000 2.216 124 E HA 0.104 4.454 4.350 -0.000 0.000 0.192 124 E C -0.192 176.466 176.600 0.097 0.000 0.973 124 E CA 0.406 56.835 56.400 0.048 0.000 0.851 124 E CB 0.434 30.180 29.700 0.077 0.000 0.804 124 E HN 0.682 nan 8.360 nan 0.000 0.477 125 D N -0.798 119.621 120.400 0.033 0.000 2.623 125 D HA 0.341 4.981 4.640 -0.000 0.000 0.241 125 D C -1.919 174.371 176.300 -0.016 0.000 1.241 125 D CA -0.674 53.400 54.000 0.124 0.000 0.788 125 D CB 1.716 42.632 40.800 0.193 0.000 1.413 125 D HN -0.142 nan 8.370 nan 0.000 0.429 126 L N 3.252 124.456 121.223 -0.031 0.000 2.457 126 L HA 0.413 4.753 4.340 -0.000 0.000 0.266 126 L C -1.774 174.994 176.870 -0.171 0.000 0.979 126 L CA -0.685 54.064 54.840 -0.152 0.000 0.857 126 L CB 1.090 42.938 42.059 -0.352 0.000 1.213 126 L HN 0.425 nan 8.230 nan 0.000 0.418 127 Y N 5.275 125.543 120.300 -0.054 0.000 2.327 127 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 127 Y C -1.295 174.724 175.900 0.199 0.000 1.035 127 Y CA -0.338 57.771 58.100 0.014 0.000 1.165 127 Y CB 0.690 39.217 38.460 0.112 0.000 1.181 127 Y HN 0.416 nan 8.280 nan 0.000 0.494 128 F N 7.959 127.401 119.950 -0.846 0.000 2.444 128 F HA 0.445 4.972 4.527 -0.000 0.000 0.342 128 F C -2.136 173.105 175.800 -0.932 0.000 1.121 128 F CA -3.500 54.105 58.000 -0.658 0.000 0.997 128 F CB 1.254 40.031 39.000 -0.373 0.000 1.130 128 F HN 0.446 nan 8.300 nan 0.000 0.454 129 P HA 0.025 nan 4.420 nan 0.000 0.272 129 P C 0.746 177.975 177.300 -0.119 0.000 1.240 129 P CA -0.062 62.967 63.100 -0.119 0.000 0.791 129 P CB 1.047 32.791 31.700 0.073 0.000 0.978 130 E N 1.229 121.389 120.200 -0.067 0.000 2.187 130 E HA -0.274 4.076 4.350 -0.000 0.000 0.199 130 E C 1.800 178.238 176.600 -0.271 0.000 1.004 130 E CA 1.569 57.836 56.400 -0.221 0.000 0.813 130 E CB -0.071 29.362 29.700 -0.445 0.000 0.736 130 E HN 0.363 nan 8.360 nan 0.000 0.468 131 K N -0.122 120.108 120.400 -0.283 0.000 2.063 131 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 131 K C 2.094 178.506 176.600 -0.313 0.000 1.048 131 K CA 1.227 57.294 56.287 -0.367 0.000 0.928 131 K CB -0.018 32.102 32.500 -0.633 0.000 0.713 131 K HN 0.083 nan 8.250 nan 0.000 0.442 132 L N 0.978 122.028 121.223 -0.289 0.000 2.072 132 L HA -0.131 4.208 4.340 -0.000 0.000 0.205 132 L C 2.116 178.977 176.870 -0.015 0.000 1.079 132 L CA 0.987 55.667 54.840 -0.267 0.000 0.752 132 L CB -0.390 41.348 42.059 -0.535 0.000 0.906 132 L HN 0.225 nan 8.230 nan 0.000 0.436 133 I N -0.212 120.378 120.570 0.034 0.000 2.151 133 I HA -0.319 3.851 4.170 -0.000 0.000 0.243 133 I C 2.386 178.599 176.117 0.160 0.000 1.080 133 I CA 1.522 62.923 61.300 0.168 0.000 1.339 133 I CB -1.035 37.027 38.000 0.104 0.000 1.039 133 I HN 0.322 nan 8.210 nan 0.000 0.409 134 R N 0.484 120.974 120.500 -0.016 0.000 2.339 134 R HA -0.094 4.246 4.340 -0.000 0.000 0.199 134 R C 1.528 177.789 176.300 -0.065 0.000 1.018 134 R CA 0.355 56.425 56.100 -0.049 0.000 1.036 134 R CB -0.090 30.126 30.300 -0.141 0.000 0.899 134 R HN 0.511 nan 8.270 nan 0.000 0.473 135 E N -0.624 119.512 120.200 -0.107 0.000 2.489 135 E HA 0.021 4.371 4.350 -0.000 0.000 0.193 135 E C -0.494 175.885 176.600 -0.367 0.000 1.057 135 E CA 0.209 56.450 56.400 -0.264 0.000 0.866 135 E CB 0.311 29.772 29.700 -0.398 0.000 0.916 135 E HN 0.082 nan 8.360 nan 0.000 0.500 136 F N -0.136 119.800 119.950 -0.023 0.000 2.523 136 F HA 0.223 4.750 4.527 -0.000 0.000 0.329 136 F C 1.226 177.036 175.800 0.017 0.000 1.061 136 F CA -0.854 57.155 58.000 0.015 0.000 0.967 136 F CB 1.320 40.352 39.000 0.053 0.000 1.218 136 F HN -0.223 nan 8.300 nan 0.000 0.480 137 D N 0.520 121.056 120.400 0.227 0.000 2.338 137 D HA 0.211 4.851 4.640 -0.000 0.000 0.208 137 D C 1.156 177.527 176.300 0.118 0.000 0.997 137 D CA 1.146 55.221 54.000 0.125 0.000 0.880 137 D CB 0.349 41.192 40.800 0.072 0.000 0.980 137 D HN 0.728 nan 8.370 nan 0.000 0.509 138 G N 1.691 110.579 108.800 0.147 0.000 2.796 138 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.226 138 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.226 138 G C -2.661 172.269 174.900 0.051 0.000 1.381 138 G CA -0.997 44.153 45.100 0.083 0.000 0.867 138 G HN -0.020 nan 8.290 nan 0.000 0.552 139 P HA 0.387 nan 4.420 nan 0.000 0.265 139 P C 0.796 178.110 177.300 0.023 0.000 1.193 139 P CA 0.938 64.055 63.100 0.029 0.000 0.765 139 P CB 0.888 32.593 31.700 0.008 0.000 0.823 140 A N 2.248 125.095 122.820 0.046 0.000 1.970 140 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 140 A C 1.386 178.864 177.584 -0.177 0.000 1.170 140 A CA 1.335 53.342 52.037 -0.049 0.000 0.645 140 A CB -1.006 17.981 19.000 -0.022 0.000 0.816 140 A HN 0.495 nan 8.150 nan 0.000 0.447 141 F N -1.063 118.865 119.950 -0.037 0.000 2.390 141 F HA 0.418 4.945 4.527 -0.000 0.000 0.281 141 F C 1.755 177.533 175.800 -0.038 0.000 1.016 141 F CA 0.796 58.776 58.000 -0.033 0.000 1.286 141 F CB -0.480 38.498 39.000 -0.038 0.000 1.134 141 F HN 0.449 nan 8.300 nan 0.000 0.597 142 G N 1.039 109.935 108.800 0.161 0.000 2.752 142 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 142 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 142 G C 0.687 175.574 174.900 -0.021 0.000 1.367 142 G CA -0.102 45.011 45.100 0.022 0.000 0.879 142 G HN 0.266 nan 8.290 nan 0.000 0.563 143 I N 0.575 121.001 120.570 -0.239 0.000 2.118 143 I HA -0.143 4.026 4.170 -0.000 0.000 0.241 143 I C 3.334 179.321 176.117 -0.216 0.000 1.070 143 I CA 3.129 64.100 61.300 -0.549 0.000 1.327 143 I CB -0.733 36.816 38.000 -0.752 0.000 1.034 143 I HN 0.949 nan 8.210 nan 0.000 0.405 144 E N 0.887 121.017 120.200 -0.116 0.000 2.077 144 E HA -0.162 4.187 4.350 -0.000 0.000 0.193 144 E C 2.311 178.949 176.600 0.063 0.000 0.989 144 E CA 1.435 57.819 56.400 -0.026 0.000 0.800 144 E CB -1.625 28.055 29.700 -0.034 0.000 0.746 144 E HN 0.648 nan 8.360 nan 0.000 0.452 145 G N 0.104 108.969 108.800 0.109 0.000 2.422 145 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.218 145 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.218 145 G C 1.937 177.040 174.900 0.338 0.000 1.146 145 G CA 1.360 46.611 45.100 0.253 0.000 0.769 145 G HN 0.456 nan 8.290 nan 0.000 0.547 146 V N 0.575 120.658 119.914 0.283 0.000 2.323 146 V HA -0.103 4.017 4.120 -0.000 0.000 0.244 146 V C 2.866 179.130 176.094 0.283 0.000 1.041 146 V CA 1.653 64.127 62.300 0.290 0.000 1.025 146 V CB -0.497 31.583 31.823 0.428 0.000 0.656 146 V HN 0.274 nan 8.190 nan 0.000 0.451 147 R N 0.373 121.042 120.500 0.281 0.000 2.103 147 R HA -0.250 4.090 4.340 -0.000 0.000 0.242 147 R C 2.425 178.818 176.300 0.156 0.000 1.142 147 R CA 2.006 58.240 56.100 0.223 0.000 0.960 147 R CB -0.422 29.975 30.300 0.162 0.000 0.858 147 R HN 0.519 nan 8.270 nan 0.000 0.439 148 K N 1.077 121.560 120.400 0.139 0.000 2.057 148 K HA -0.134 4.186 4.320 -0.000 0.000 0.206 148 K C 2.221 178.897 176.600 0.127 0.000 1.050 148 K CA 1.399 57.756 56.287 0.116 0.000 0.935 148 K CB -0.087 32.474 32.500 0.102 0.000 0.715 148 K HN 0.121 nan 8.250 nan 0.000 0.439 149 M N 0.551 120.247 119.600 0.159 0.000 2.175 149 M HA -0.115 4.365 4.480 -0.000 0.000 0.264 149 M C 1.272 177.645 176.300 0.122 0.000 1.063 149 M CA 1.583 56.968 55.300 0.142 0.000 1.119 149 M CB 0.045 32.722 32.600 0.128 0.000 1.377 149 M HN 0.177 nan 8.290 nan 0.000 0.415 150 L N 0.221 121.525 121.223 0.135 0.000 2.567 150 L HA 0.154 4.494 4.340 -0.000 0.000 0.225 150 L C 0.084 177.010 176.870 0.092 0.000 1.119 150 L CA 0.060 54.969 54.840 0.115 0.000 0.871 150 L CB -0.302 41.834 42.059 0.129 0.000 1.036 150 L HN 0.382 nan 8.230 nan 0.000 0.459 151 E N 1.037 121.293 120.200 0.094 0.000 2.252 151 E HA -0.213 4.137 4.350 -0.000 0.000 0.218 151 E C -0.416 176.227 176.600 0.073 0.000 1.253 151 E CA 0.295 56.740 56.400 0.075 0.000 0.705 151 E CB -1.335 28.400 29.700 0.059 0.000 1.172 151 E HN 0.451 nan 8.360 nan 0.000 0.369 152 I N -0.449 120.176 120.570 0.091 0.000 2.448 152 I HA 0.201 4.371 4.170 -0.000 0.000 0.281 152 I C 1.163 177.339 176.117 0.098 0.000 1.027 152 I CA -0.110 61.243 61.300 0.089 0.000 1.111 152 I CB 1.276 39.335 38.000 0.099 0.000 1.236 152 I HN 0.160 nan 8.210 nan 0.000 0.452 153 K N 3.358 123.801 120.400 0.072 0.000 2.116 153 K HA -0.007 4.313 4.320 -0.000 0.000 0.203 153 K C 0.977 177.616 176.600 0.065 0.000 1.052 153 K CA 1.523 57.848 56.287 0.063 0.000 0.952 153 K CB -0.090 32.436 32.500 0.044 0.000 0.729 153 K HN 0.683 nan 8.250 nan 0.000 0.446 154 D N -1.598 118.840 120.400 0.063 0.000 2.409 154 D HA 0.065 4.705 4.640 -0.000 0.000 0.301 154 D C 0.482 176.820 176.300 0.062 0.000 1.095 154 D CA -0.049 53.984 54.000 0.054 0.000 0.929 154 D CB 0.148 40.968 40.800 0.032 0.000 1.623 154 D HN 0.519 nan 8.370 nan 0.000 0.506 155 R N 2.451 122.983 120.500 0.053 0.000 2.679 155 R HA 0.378 4.718 4.340 -0.000 0.000 0.269 155 R C -2.472 173.869 176.300 0.068 0.000 1.076 155 R CA -1.057 55.067 56.100 0.040 0.000 1.160 155 R CB -0.745 29.565 30.300 0.017 0.000 1.054 155 R HN -0.141 nan 8.270 nan 0.000 0.507 156 P HA -0.015 nan 4.420 nan 0.000 0.269 156 P C -0.412 176.912 177.300 0.040 0.000 1.217 156 P CA 0.057 63.188 63.100 0.052 0.000 0.783 156 P CB 0.444 32.157 31.700 0.021 0.000 0.898 157 I N 1.812 122.375 120.570 -0.011 0.000 2.440 157 I HA 0.208 4.377 4.170 -0.000 0.000 0.294 157 I C 0.096 176.282 176.117 0.115 0.000 0.995 157 I CA -0.383 60.927 61.300 0.017 0.000 1.306 157 I CB 0.376 38.311 38.000 -0.109 0.000 1.407 157 I HN 0.321 nan 8.210 nan 0.000 0.501 158 Y N 5.462 125.734 120.300 -0.048 0.000 2.425 158 Y HA 0.826 5.376 4.550 -0.000 0.000 0.344 158 Y C -0.346 175.229 175.900 -0.541 0.000 0.969 158 Y CA -0.977 57.019 58.100 -0.172 0.000 1.052 158 Y CB 1.689 40.050 38.460 -0.165 0.000 1.215 158 Y HN 0.570 nan 8.280 nan 0.000 0.451 159 G N 2.830 110.766 108.800 -1.440 0.000 2.682 159 G HA2 0.604 4.564 3.960 -0.000 0.000 0.290 159 G HA3 0.604 4.564 3.960 -0.000 0.000 0.290 159 G C -2.427 171.700 174.900 -1.288 0.000 1.425 159 G CA -0.904 42.711 45.100 -2.475 0.000 0.807 159 G HN 0.657 nan 8.290 nan 0.000 0.482 160 V N -0.008 119.352 119.914 -0.922 0.000 2.638 160 V HA 0.523 4.643 4.120 -0.000 0.000 0.306 160 V C -0.299 175.718 176.094 -0.128 0.000 1.052 160 V CA -0.763 61.317 62.300 -0.368 0.000 0.885 160 V CB 1.752 33.385 31.823 -0.317 0.000 0.999 160 V HN 0.627 nan 8.190 nan 0.000 0.424 161 V N 6.532 126.446 119.914 0.000 0.000 2.407 161 V HA 0.338 4.458 4.120 -0.000 0.000 0.278 161 V C -2.221 173.907 176.094 0.057 0.000 1.037 161 V CA -1.910 60.440 62.300 0.084 0.000 0.900 161 V CB 1.606 33.507 31.823 0.130 0.000 0.983 161 V HN 0.737 nan 8.190 nan 0.000 0.459 162 P HA 0.173 nan 4.420 nan 0.000 0.268 162 P C -0.687 176.620 177.300 0.012 0.000 1.204 162 P CA 0.001 63.073 63.100 -0.048 0.000 0.768 162 P CB 0.429 31.978 31.700 -0.250 0.000 0.842 163 K N 3.433 123.825 120.400 -0.014 0.000 2.378 163 K HA 0.448 4.768 4.320 -0.000 0.000 0.252 163 K C -2.336 174.281 176.600 0.028 0.000 0.931 163 K CA -1.986 54.329 56.287 0.046 0.000 0.794 163 K CB 1.183 33.713 32.500 0.050 0.000 1.181 163 K HN 0.345 nan 8.250 nan 0.000 0.425 164 P HA 0.139 nan 4.420 nan 0.000 0.269 164 P C 0.189 177.614 177.300 0.208 0.000 1.215 164 P CA -0.186 62.986 63.100 0.120 0.000 0.780 164 P CB 0.962 32.725 31.700 0.105 0.000 0.898 165 K N 0.183 120.674 120.400 0.151 0.000 2.032 165 K HA -0.055 4.265 4.320 -0.000 0.000 0.209 165 K C 1.059 177.764 176.600 0.175 0.000 1.048 165 K CA 1.499 57.882 56.287 0.160 0.000 0.927 165 K CB -0.372 32.178 32.500 0.084 0.000 0.712 165 K HN 0.517 nan 8.250 nan 0.000 0.441 166 V N -5.707 114.254 119.914 0.078 0.000 3.130 166 V HA 0.800 4.920 4.120 -0.000 0.000 0.310 166 V C 0.353 176.359 176.094 -0.147 0.000 1.158 166 V CA -0.382 61.879 62.300 -0.066 0.000 1.029 166 V CB 1.625 33.439 31.823 -0.015 0.000 1.057 166 V HN 0.351 nan 8.190 nan 0.000 0.436 167 G N 0.544 109.107 108.800 -0.395 0.000 2.205 167 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.180 167 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.180 167 G C -0.364 174.411 174.900 -0.208 0.000 1.004 167 G CA 0.168 44.987 45.100 -0.468 0.000 0.670 167 G HN 2.186 nan 8.290 nan 0.000 0.496 168 Y N 1.503 121.755 120.300 -0.079 0.000 2.457 168 Y HA 0.831 5.381 4.550 -0.000 0.000 0.333 168 Y C 0.470 176.391 175.900 0.036 0.000 1.119 168 Y CA -1.026 57.068 58.100 -0.010 0.000 1.143 168 Y CB 1.168 39.649 38.460 0.035 0.000 1.230 168 Y HN 0.448 nan 8.280 nan 0.000 0.469 169 S N 0.610 116.426 115.700 0.195 0.000 2.693 169 S HA 0.449 4.919 4.470 -0.000 0.000 0.276 169 S C -2.245 172.476 174.600 0.200 0.000 1.192 169 S CA -1.420 56.849 58.200 0.115 0.000 0.994 169 S CB 1.645 64.904 63.200 0.098 0.000 1.012 169 S HN 0.573 nan 8.310 nan 0.000 0.550 170 P HA 0.011 nan 4.420 nan 0.000 0.219 170 P C 0.848 178.255 177.300 0.178 0.000 1.150 170 P CA 1.015 64.203 63.100 0.146 0.000 0.814 170 P CB 0.021 31.740 31.700 0.031 0.000 0.787 171 E N -0.002 120.264 120.200 0.109 0.000 2.047 171 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 171 E C 1.939 178.580 176.600 0.069 0.000 0.987 171 E CA 1.158 57.597 56.400 0.065 0.000 0.799 171 E CB -0.706 29.020 29.700 0.044 0.000 0.752 171 E HN 0.378 nan 8.360 nan 0.000 0.449 172 E N 0.033 120.299 120.200 0.109 0.000 2.058 172 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 172 E C 1.840 178.496 176.600 0.093 0.000 0.997 172 E CA 1.063 57.520 56.400 0.096 0.000 0.801 172 E CB -0.284 29.495 29.700 0.133 0.000 0.746 172 E HN 0.196 nan 8.360 nan 0.000 0.450 173 F N 2.275 122.239 119.950 0.025 0.000 2.120 173 F HA -0.268 4.259 4.527 -0.000 0.000 0.300 173 F C 2.270 178.018 175.800 -0.087 0.000 1.095 173 F CA 2.078 60.050 58.000 -0.046 0.000 1.249 173 F CB -0.230 38.820 39.000 0.082 0.000 0.995 173 F HN -0.019 nan 8.300 nan 0.000 0.480 174 E N 0.327 120.460 120.200 -0.111 0.000 2.049 174 E HA -0.331 4.019 4.350 -0.000 0.000 0.198 174 E C 2.398 178.852 176.600 -0.243 0.000 1.007 174 E CA 1.939 58.198 56.400 -0.235 0.000 0.809 174 E CB -0.386 29.254 29.700 -0.101 0.000 0.749 174 E HN 0.486 nan 8.360 nan 0.000 0.450 175 K N 0.034 120.342 120.400 -0.153 0.000 2.097 175 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 175 K C 2.361 178.893 176.600 -0.113 0.000 1.050 175 K CA 0.978 57.205 56.287 -0.100 0.000 0.938 175 K CB -0.155 32.303 32.500 -0.069 0.000 0.718 175 K HN 0.178 nan 8.250 nan 0.000 0.442 176 L N 1.151 122.260 121.223 -0.190 0.000 2.012 176 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 176 L C 2.216 178.903 176.870 -0.305 0.000 1.073 176 L CA 2.152 56.859 54.840 -0.222 0.000 0.748 176 L CB -0.693 41.224 42.059 -0.236 0.000 0.891 176 L HN 0.193 nan 8.230 nan 0.000 0.431 177 A N -1.333 121.178 122.820 -0.515 0.000 1.883 177 A HA -0.309 4.010 4.320 -0.000 0.000 0.217 177 A C 2.320 179.721 177.584 -0.304 0.000 1.186 177 A CA 1.968 53.681 52.037 -0.541 0.000 0.624 177 A CB -1.325 17.137 19.000 -0.896 0.000 0.822 177 A HN 0.663 nan 8.150 nan 0.000 0.444 178 Y N 1.239 121.343 120.300 -0.326 0.000 2.128 178 Y HA -0.246 4.304 4.550 -0.000 0.000 0.284 178 Y C 1.919 177.711 175.900 -0.181 0.000 1.154 178 Y CA 2.151 60.117 58.100 -0.224 0.000 1.149 178 Y CB -0.244 38.105 38.460 -0.185 0.000 0.976 178 Y HN 0.369 nan 8.280 nan 0.000 0.505 179 D N 0.158 120.462 120.400 -0.159 0.000 2.097 179 D HA -0.188 4.451 4.640 -0.000 0.000 0.195 179 D C 2.383 178.539 176.300 -0.240 0.000 0.989 179 D CA 1.681 55.561 54.000 -0.199 0.000 0.827 179 D CB -0.565 40.182 40.800 -0.088 0.000 0.966 179 D HN 0.395 nan 8.370 nan 0.000 0.456 180 L N 0.275 121.362 121.223 -0.226 0.000 1.976 180 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 180 L C 2.604 179.322 176.870 -0.253 0.000 1.071 180 L CA 0.884 55.590 54.840 -0.222 0.000 0.746 180 L CB -0.492 41.421 42.059 -0.243 0.000 0.890 180 L HN 0.034 nan 8.230 nan 0.000 0.432 181 L N -1.131 119.918 121.223 -0.290 0.000 2.131 181 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 181 L C 2.608 179.317 176.870 -0.269 0.000 1.092 181 L CA 0.787 55.463 54.840 -0.272 0.000 0.759 181 L CB -0.488 41.421 42.059 -0.249 0.000 0.903 181 L HN 0.182 nan 8.230 nan 0.000 0.435 182 S N -0.432 115.050 115.700 -0.362 0.000 2.428 182 S HA -0.042 4.428 4.470 -0.000 0.000 0.230 182 S C 1.301 175.767 174.600 -0.223 0.000 1.014 182 S CA 0.785 58.766 58.200 -0.365 0.000 0.957 182 S CB -0.143 62.704 63.200 -0.588 0.000 0.784 182 S HN 0.460 nan 8.310 nan 0.000 0.499 183 N N 0.112 118.700 118.700 -0.187 0.000 2.321 183 N HA 0.243 4.983 4.740 -0.000 0.000 0.242 183 N C 0.848 176.320 175.510 -0.063 0.000 1.141 183 N CA 0.569 53.550 53.050 -0.116 0.000 0.864 183 N CB 1.255 39.676 38.487 -0.109 0.000 1.100 183 N HN 0.478 nan 8.380 nan 0.000 0.510 184 G N 0.430 109.190 108.800 -0.067 0.000 2.428 184 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.199 184 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.199 184 G C 0.275 175.174 174.900 -0.002 0.000 1.005 184 G CA -0.122 44.977 45.100 -0.002 0.000 0.671 184 G HN 0.478 nan 8.290 nan 0.000 0.485 185 A N 0.967 123.706 122.820 -0.135 0.000 2.546 185 A HA 0.460 4.779 4.320 -0.000 0.000 0.243 185 A C 1.165 178.525 177.584 -0.374 0.000 1.063 185 A CA 1.142 52.889 52.037 -0.483 0.000 0.757 185 A CB 0.175 18.816 19.000 -0.598 0.000 0.991 185 A HN 0.279 nan 8.150 nan 0.000 0.503 186 D N 0.098 120.247 120.400 -0.418 0.000 2.249 186 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 186 D C -0.037 176.148 176.300 -0.192 0.000 0.962 186 D CA 1.736 55.613 54.000 -0.205 0.000 0.860 186 D CB 0.049 40.815 40.800 -0.057 0.000 0.955 186 D HN 0.747 nan 8.370 nan 0.000 0.505 187 Y N -1.874 118.159 120.300 -0.446 0.000 2.581 187 Y HA 0.499 5.049 4.550 -0.000 0.000 0.337 187 Y C -0.734 174.874 175.900 -0.487 0.000 1.108 187 Y CA -1.460 56.330 58.100 -0.517 0.000 1.033 187 Y CB 0.654 38.559 38.460 -0.925 0.000 1.318 187 Y HN -0.400 nan 8.280 nan 0.000 0.459 191 D N 1.093 121.552 120.400 0.099 0.000 2.390 191 D HA -0.033 4.606 4.640 -0.000 0.000 0.236 191 D C 1.515 177.765 176.300 -0.083 0.000 1.189 191 D CA 0.120 54.140 54.000 0.034 0.000 0.887 191 D CB 1.001 41.839 40.800 0.063 0.000 1.198 191 D HN 0.400 nan 8.370 nan 0.000 0.444 192 E N 1.868 121.920 120.200 -0.246 0.000 2.268 192 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 192 E C 0.689 177.160 176.600 -0.215 0.000 0.995 192 E CA 0.874 57.019 56.400 -0.425 0.000 0.836 192 E CB -0.311 28.781 29.700 -1.014 0.000 0.763 192 E HN 0.482 nan 8.360 nan 0.000 0.491 193 N N 1.030 119.654 118.700 -0.126 0.000 2.280 193 N HA -0.003 4.737 4.740 -0.000 0.000 0.192 193 N C 0.503 175.982 175.510 -0.052 0.000 1.109 193 N CA -0.135 52.872 53.050 -0.071 0.000 0.855 193 N CB -0.058 38.407 38.487 -0.037 0.000 0.974 193 N HN 0.147 nan 8.380 nan 0.000 0.482 194 L N 2.331 123.522 121.223 -0.054 0.000 2.295 194 L HA 0.203 4.543 4.340 -0.000 0.000 0.288 194 L C 0.529 177.367 176.870 -0.054 0.000 1.079 194 L CA 0.157 54.959 54.840 -0.063 0.000 0.830 194 L CB 0.724 42.752 42.059 -0.052 0.000 1.200 194 L HN 0.282 nan 8.230 nan 0.000 0.438 195 T N 0.006 114.512 114.554 -0.079 0.000 2.090 195 T HA 0.125 4.475 4.350 -0.000 0.000 0.179 195 T C 0.578 175.259 174.700 -0.033 0.000 0.687 195 T CA -0.181 61.893 62.100 -0.043 0.000 1.523 195 T CB 0.627 69.457 68.868 -0.064 0.000 3.135 195 T HN 0.341 nan 8.240 nan 0.000 0.403 196 S N 3.029 118.681 115.700 -0.080 0.000 2.327 196 S HA 0.449 4.919 4.470 -0.000 0.000 0.203 196 S C -2.644 171.848 174.600 -0.180 0.000 1.326 196 S CA -1.297 56.855 58.200 -0.079 0.000 1.248 196 S CB -0.142 63.059 63.200 0.003 0.000 1.199 196 S HN 0.504 nan 8.310 nan 0.000 0.422 197 P HA 0.188 nan 4.420 nan 0.000 0.276 197 P C 1.571 178.546 177.300 -0.541 0.000 1.261 197 P CA -0.715 62.085 63.100 -0.500 0.000 0.800 197 P CB 0.285 31.427 31.700 -0.931 0.000 1.066 198 W N 1.718 122.847 121.300 -0.286 0.000 2.325 198 W HA -0.248 4.412 4.660 -0.000 0.000 0.299 198 W C 1.420 177.861 176.519 -0.130 0.000 1.215 198 W CA 1.364 58.630 57.345 -0.133 0.000 1.244 198 W CB -2.052 27.405 29.460 -0.005 0.000 1.140 198 W HN 0.390 nan 8.180 nan 0.000 0.523 199 Y N 0.272 119.965 120.300 -1.012 0.000 2.529 199 Y HA 0.337 4.886 4.550 -0.000 0.000 0.290 199 Y C 0.539 176.167 175.900 -0.453 0.000 1.177 199 Y CA 0.532 58.072 58.100 -0.933 0.000 1.305 199 Y CB -0.954 36.604 38.460 -1.503 0.000 1.047 199 Y HN -0.105 nan 8.280 nan 0.000 0.522 200 N N 1.224 119.540 118.700 -0.641 0.000 2.976 200 N HA 0.087 4.827 4.740 -0.000 0.000 0.220 200 N C -1.525 173.792 175.510 -0.321 0.000 1.428 200 N CA -0.256 52.550 53.050 -0.408 0.000 0.748 200 N CB 0.671 38.882 38.487 -0.460 0.000 1.484 200 N HN 0.078 nan 8.380 nan 0.000 0.578 201 R N 1.570 121.968 120.500 -0.171 0.000 2.491 201 R HA 0.133 4.473 4.340 -0.000 0.000 0.283 201 R C 1.326 177.629 176.300 0.005 0.000 1.072 201 R CA -0.366 55.697 56.100 -0.063 0.000 1.048 201 R CB 0.256 30.552 30.300 -0.007 0.000 0.983 201 R HN 0.466 nan 8.270 nan 0.000 0.450 202 F N 3.484 123.398 119.950 -0.059 0.000 2.091 202 F HA -0.288 4.239 4.527 -0.000 0.000 0.299 202 F C 2.292 178.132 175.800 0.067 0.000 1.103 202 F CA 2.227 60.239 58.000 0.020 0.000 1.228 202 F CB 0.177 39.185 39.000 0.014 0.000 0.984 202 F HN 0.630 nan 8.300 nan 0.000 0.477 203 E N 0.301 120.650 120.200 0.248 0.000 2.204 203 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 203 E C 1.747 178.353 176.600 0.010 0.000 0.989 203 E CA 1.635 58.127 56.400 0.154 0.000 0.824 203 E CB -0.779 29.018 29.700 0.163 0.000 0.756 203 E HN 0.630 nan 8.360 nan 0.000 0.477 204 E N 1.057 121.247 120.200 -0.017 0.000 2.046 204 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 204 E C 2.389 178.923 176.600 -0.109 0.000 0.982 204 E CA 1.376 57.748 56.400 -0.046 0.000 0.800 204 E CB -0.161 29.521 29.700 -0.029 0.000 0.756 204 E HN 0.383 nan 8.360 nan 0.000 0.449 205 R N 0.849 121.241 120.500 -0.180 0.000 2.148 205 R HA 0.077 4.417 4.340 -0.000 0.000 0.223 205 R C 2.139 178.132 176.300 -0.513 0.000 1.088 205 R CA 1.092 57.017 56.100 -0.293 0.000 0.985 205 R CB -0.227 29.817 30.300 -0.426 0.000 0.880 205 R HN 0.050 nan 8.270 nan 0.000 0.451 206 A N 1.862 124.437 122.820 -0.409 0.000 1.873 206 A HA -0.117 4.203 4.320 -0.000 0.000 0.215 206 A C 1.982 179.462 177.584 -0.173 0.000 1.186 206 A CA 1.260 53.117 52.037 -0.300 0.000 0.616 206 A CB -0.299 18.672 19.000 -0.049 0.000 0.823 206 A HN 0.350 nan 8.150 nan 0.000 0.442 207 E N -0.135 120.000 120.200 -0.108 0.000 2.077 207 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 207 E C 1.986 178.529 176.600 -0.096 0.000 0.989 207 E CA 1.183 57.543 56.400 -0.066 0.000 0.800 207 E CB -0.326 29.352 29.700 -0.038 0.000 0.746 207 E HN 0.724 nan 8.360 nan 0.000 0.452 208 I N 0.610 121.102 120.570 -0.132 0.000 2.202 208 I HA -0.264 3.906 4.170 -0.000 0.000 0.242 208 I C 2.454 178.462 176.117 -0.181 0.000 1.091 208 I CA 0.824 62.047 61.300 -0.128 0.000 1.368 208 I CB -0.161 37.789 38.000 -0.083 0.000 1.058 208 I HN 0.103 nan 8.210 nan 0.000 0.410 209 M N 0.193 119.608 119.600 -0.309 0.000 2.229 209 M HA -0.106 4.373 4.480 -0.000 0.000 0.264 209 M C 2.547 178.757 176.300 -0.150 0.000 1.063 209 M CA 1.592 56.684 55.300 -0.346 0.000 1.114 209 M CB -1.320 30.812 32.600 -0.781 0.000 1.387 209 M HN 0.278 nan 8.290 nan 0.000 0.420 210 A N 0.736 123.499 122.820 -0.096 0.000 1.902 210 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 210 A C 2.515 180.083 177.584 -0.025 0.000 1.181 210 A CA 2.839 54.867 52.037 -0.016 0.000 0.623 210 A CB -0.901 18.101 19.000 0.004 0.000 0.818 210 A HN 0.480 nan 8.150 nan 0.000 0.443 211 K N -0.327 120.044 120.400 -0.049 0.000 2.062 211 K HA 0.090 4.410 4.320 -0.000 0.000 0.205 211 K C 1.756 178.332 176.600 -0.040 0.000 1.051 211 K CA 1.423 57.684 56.287 -0.042 0.000 0.941 211 K CB -0.825 31.642 32.500 -0.054 0.000 0.719 211 K HN 0.379 nan 8.250 nan 0.000 0.440 212 I N 1.212 121.744 120.570 -0.063 0.000 2.226 212 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 212 I C 2.495 178.605 176.117 -0.013 0.000 1.100 212 I CA 1.056 62.334 61.300 -0.036 0.000 1.374 212 I CB -0.862 37.077 38.000 -0.102 0.000 1.057 212 I HN 0.254 nan 8.210 nan 0.000 0.413 213 I N 0.640 121.193 120.570 -0.029 0.000 2.226 213 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 213 I C 2.112 178.234 176.117 0.008 0.000 1.100 213 I CA 1.354 62.650 61.300 -0.006 0.000 1.374 213 I CB -0.387 37.628 38.000 0.024 0.000 1.057 213 I HN 0.181 nan 8.210 nan 0.000 0.413 214 D N 0.691 121.097 120.400 0.011 0.000 2.144 214 D HA -0.192 4.448 4.640 -0.000 0.000 0.200 214 D C 2.080 178.391 176.300 0.019 0.000 0.978 214 D CA 1.120 55.129 54.000 0.015 0.000 0.833 214 D CB -0.111 40.695 40.800 0.011 0.000 0.961 214 D HN 0.272 nan 8.370 nan 0.000 0.470 215 K N 0.577 120.993 120.400 0.027 0.000 2.025 215 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 215 K C 1.988 178.632 176.600 0.072 0.000 1.049 215 K CA 0.777 57.097 56.287 0.054 0.000 0.933 215 K CB 0.031 32.574 32.500 0.073 0.000 0.714 215 K HN -0.098 nan 8.250 nan 0.000 0.438 216 V N 2.015 121.964 119.914 0.059 0.000 2.343 216 V HA -0.217 3.903 4.120 -0.000 0.000 0.247 216 V C 2.078 178.160 176.094 -0.020 0.000 1.051 216 V CA 1.890 64.183 62.300 -0.012 0.000 1.036 216 V CB -0.457 31.310 31.823 -0.093 0.000 0.654 216 V HN 0.392 nan 8.190 nan 0.000 0.451 217 E N 1.358 121.554 120.200 -0.006 0.000 2.058 217 E HA -0.250 4.100 4.350 -0.000 0.000 0.194 217 E C 1.872 178.474 176.600 0.004 0.000 0.997 217 E CA 1.725 58.124 56.400 -0.002 0.000 0.801 217 E CB -0.327 29.380 29.700 0.011 0.000 0.746 217 E HN 0.843 nan 8.360 nan 0.000 0.450 218 N N 0.431 119.137 118.700 0.011 0.000 2.422 218 N HA -0.085 4.655 4.740 -0.000 0.000 0.181 218 N C 1.116 176.633 175.510 0.011 0.000 1.080 218 N CA 0.546 53.603 53.050 0.012 0.000 0.893 218 N CB -0.061 38.434 38.487 0.014 0.000 0.973 218 N HN 0.189 nan 8.380 nan 0.000 0.456 219 E N -0.804 119.404 120.200 0.013 0.000 2.299 219 E HA 0.037 4.387 4.350 -0.000 0.000 0.193 219 E C 0.599 177.196 176.600 -0.006 0.000 0.998 219 E CA 0.894 57.301 56.400 0.012 0.000 0.851 219 E CB 0.182 29.901 29.700 0.033 0.000 0.795 219 E HN 0.338 nan 8.360 nan 0.000 0.492 220 T N -1.597 112.948 114.554 -0.016 0.000 2.955 220 T HA 0.161 4.511 4.350 -0.000 0.000 0.251 220 T C 1.149 175.840 174.700 -0.014 0.000 1.002 220 T CA 0.581 62.665 62.100 -0.027 0.000 0.970 220 T CB 0.860 69.697 68.868 -0.053 0.000 1.091 220 T HN 0.340 nan 8.240 nan 0.000 0.495 221 G N 2.130 110.927 108.800 -0.006 0.000 2.196 221 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.268 221 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.268 221 G C -0.113 174.789 174.900 0.004 0.000 0.975 221 G CA 0.333 45.434 45.100 0.002 0.000 0.648 221 G HN 0.536 nan 8.290 nan 0.000 0.538 222 E N 0.488 120.685 120.200 -0.004 0.000 2.179 222 E HA 0.399 4.748 4.350 -0.000 0.000 0.275 222 E C 0.057 176.659 176.600 0.003 0.000 0.945 222 E CA -0.970 55.430 56.400 -0.001 0.000 0.792 222 E CB 0.918 30.610 29.700 -0.013 0.000 1.125 222 E HN 0.009 nan 8.360 nan 0.000 0.397 223 K N 2.790 123.201 120.400 0.019 0.000 2.382 223 K HA 0.232 4.552 4.320 -0.000 0.000 0.275 223 K C -0.117 176.497 176.600 0.024 0.000 1.009 223 K CA 0.063 56.370 56.287 0.032 0.000 0.970 223 K CB 0.509 33.042 32.500 0.055 0.000 0.934 223 K HN 0.301 nan 8.250 nan 0.000 0.479 224 K N 0.767 121.185 120.400 0.029 0.000 2.482 224 K HA 0.501 4.821 4.320 -0.000 0.000 0.257 224 K C -0.090 176.550 176.600 0.068 0.000 0.969 224 K CA -0.672 55.625 56.287 0.017 0.000 0.842 224 K CB 2.306 34.792 32.500 -0.024 0.000 1.359 224 K HN 0.670 nan 8.250 nan 0.000 0.441 225 T N -0.742 113.853 114.554 0.069 0.000 2.681 225 T HA 0.667 5.017 4.350 -0.000 0.000 0.296 225 T C -2.051 172.742 174.700 0.156 0.000 1.157 225 T CA -0.542 61.647 62.100 0.149 0.000 1.025 225 T CB 0.948 69.959 68.868 0.240 0.000 1.441 225 T HN 0.543 nan 8.240 nan 0.000 0.504 226 W N 2.285 123.580 121.300 -0.009 0.000 3.132 226 W HA 0.622 5.282 4.660 -0.000 0.000 0.337 226 W C -2.354 174.250 176.519 0.142 0.000 1.082 226 W CA -1.808 55.520 57.345 -0.028 0.000 1.242 226 W CB 0.854 30.334 29.460 0.034 0.000 1.354 226 W HN 0.404 nan 8.180 nan 0.000 0.461 227 F N 5.908 125.622 119.950 -0.393 0.000 2.462 227 F HA 0.538 5.065 4.527 -0.000 0.000 0.354 227 F C 0.878 176.205 175.800 -0.789 0.000 1.192 227 F CA -1.378 56.292 58.000 -0.551 0.000 1.173 227 F CB -0.450 38.226 39.000 -0.540 0.000 1.402 227 F HN 0.451 nan 8.300 nan 0.000 0.595 228 A N 2.955 125.213 122.820 -0.938 0.000 2.309 228 A HA 0.324 4.643 4.320 -0.000 0.000 0.290 228 A C 0.369 177.802 177.584 -0.250 0.000 1.206 228 A CA -0.600 50.756 52.037 -1.136 0.000 0.850 228 A CB 0.028 17.895 19.000 -1.888 0.000 1.118 228 A HN 0.527 nan 8.150 nan 0.000 0.523 229 N N 2.788 121.468 118.700 -0.034 0.000 2.415 229 N HA 0.118 4.858 4.740 -0.000 0.000 0.250 229 N C 0.729 176.285 175.510 0.075 0.000 1.127 229 N CA -0.402 52.663 53.050 0.026 0.000 0.945 229 N CB 0.210 38.698 38.487 0.001 0.000 1.196 229 N HN 0.634 nan 8.380 nan 0.000 0.499 230 I N -0.121 120.411 120.570 -0.064 0.000 3.684 230 I HA 0.176 4.346 4.170 -0.000 0.000 0.304 230 I C -0.111 175.886 176.117 -0.200 0.000 1.278 230 I CA -0.196 60.944 61.300 -0.266 0.000 1.272 230 I CB -0.448 37.397 38.000 -0.258 0.000 1.029 230 I HN 0.095 nan 8.210 nan 0.000 0.458 231 T N 3.542 118.020 114.554 -0.127 0.000 2.822 231 T HA 0.400 4.750 4.350 -0.000 0.000 0.288 231 T C 0.189 174.827 174.700 -0.104 0.000 0.991 231 T CA 0.758 62.794 62.100 -0.107 0.000 1.176 231 T CB 0.225 69.035 68.868 -0.095 0.000 0.951 231 T HN 0.713 nan 8.240 nan 0.000 0.526 232 A N 3.628 126.394 122.820 -0.090 0.000 2.410 232 A HA 0.498 4.818 4.320 -0.000 0.000 0.300 232 A C -1.197 176.356 177.584 -0.052 0.000 1.077 232 A CA -1.032 50.960 52.037 -0.074 0.000 0.610 232 A CB 0.520 19.461 19.000 -0.098 0.000 1.371 232 A HN 0.623 nan 8.150 nan 0.000 0.510 233 D N 0.063 120.439 120.400 -0.039 0.000 2.378 233 D HA 0.180 4.820 4.640 -0.000 0.000 0.238 233 D C 1.464 177.753 176.300 -0.017 0.000 1.180 233 D CA -0.017 53.969 54.000 -0.022 0.000 0.895 233 D CB 0.839 41.630 40.800 -0.016 0.000 1.192 233 D HN 0.525 nan 8.370 nan 0.000 0.438 234 L N 2.181 123.406 121.223 0.003 0.000 1.978 234 L HA -0.259 4.080 4.340 -0.000 0.000 0.218 234 L C 2.274 179.163 176.870 0.032 0.000 1.075 234 L CA 1.775 56.633 54.840 0.031 0.000 0.767 234 L CB -0.601 41.480 42.059 0.038 0.000 0.890 234 L HN 0.481 nan 8.230 nan 0.000 0.434 235 L N -1.047 120.186 121.223 0.017 0.000 2.042 235 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 235 L C 2.527 179.394 176.870 -0.005 0.000 1.076 235 L CA 1.477 56.328 54.840 0.018 0.000 0.749 235 L CB -0.721 41.343 42.059 0.009 0.000 0.893 235 L HN 0.288 nan 8.230 nan 0.000 0.432 236 E N -0.247 119.935 120.200 -0.031 0.000 2.110 236 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 236 E C 2.258 178.789 176.600 -0.115 0.000 0.988 236 E CA 1.214 57.572 56.400 -0.071 0.000 0.804 236 E CB -0.195 29.456 29.700 -0.082 0.000 0.745 236 E HN 0.377 nan 8.360 nan 0.000 0.458 237 M N 0.116 119.662 119.600 -0.090 0.000 2.117 237 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 237 M C 1.974 178.229 176.300 -0.076 0.000 1.065 237 M CA 1.496 56.730 55.300 -0.111 0.000 1.114 237 M CB -0.355 32.207 32.600 -0.063 0.000 1.361 237 M HN 0.134 nan 8.290 nan 0.000 0.408 238 E N 0.101 120.300 120.200 -0.002 0.000 2.077 238 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 238 E C 2.038 178.656 176.600 0.031 0.000 0.989 238 E CA 1.220 57.651 56.400 0.050 0.000 0.800 238 E CB -0.180 29.584 29.700 0.107 0.000 0.746 238 E HN 0.601 nan 8.360 nan 0.000 0.452 239 Q N 0.328 120.119 119.800 -0.015 0.000 2.084 239 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 239 Q C 2.191 178.145 176.000 -0.077 0.000 0.978 239 Q CA 1.165 56.952 55.803 -0.027 0.000 0.844 239 Q CB -0.061 28.656 28.738 -0.034 0.000 0.898 239 Q HN 0.143 nan 8.270 nan 0.000 0.426 240 R N 0.145 120.525 120.500 -0.200 0.000 2.090 240 R HA -0.034 4.306 4.340 -0.000 0.000 0.228 240 R C 2.251 178.460 176.300 -0.152 0.000 1.110 240 R CA 0.768 56.631 56.100 -0.395 0.000 0.973 240 R CB -0.160 29.537 30.300 -1.005 0.000 0.869 240 R HN 0.204 nan 8.270 nan 0.000 0.440 241 L N 0.562 121.728 121.223 -0.095 0.000 2.042 241 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 241 L C 2.596 179.362 176.870 -0.174 0.000 1.076 241 L CA 1.505 56.334 54.840 -0.018 0.000 0.749 241 L CB -0.401 41.735 42.059 0.127 0.000 0.893 241 L HN 0.308 nan 8.230 nan 0.000 0.432 242 E N -0.053 120.051 120.200 -0.160 0.000 2.106 242 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 242 E C 2.224 178.711 176.600 -0.189 0.000 0.984 242 E CA 1.153 57.363 56.400 -0.317 0.000 0.806 242 E CB 0.171 29.827 29.700 -0.073 0.000 0.750 242 E HN 0.258 nan 8.360 nan 0.000 0.458 243 V N 1.392 121.289 119.914 -0.028 0.000 2.343 243 V HA -0.275 3.845 4.120 -0.000 0.000 0.247 243 V C 2.436 178.576 176.094 0.076 0.000 1.051 243 V CA 1.481 63.827 62.300 0.077 0.000 1.036 243 V CB -0.403 31.568 31.823 0.245 0.000 0.654 243 V HN 0.357 nan 8.190 nan 0.000 0.451 244 L N -0.155 121.121 121.223 0.088 0.000 2.017 244 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 244 L C 2.729 179.577 176.870 -0.035 0.000 1.073 244 L CA 1.666 56.552 54.840 0.076 0.000 0.745 244 L CB -0.812 41.294 42.059 0.078 0.000 0.894 244 L HN 0.371 nan 8.230 nan 0.000 0.432 245 A N -0.216 122.476 122.820 -0.214 0.000 1.898 245 A HA -0.219 4.101 4.320 -0.000 0.000 0.216 245 A C 1.897 179.402 177.584 -0.131 0.000 1.181 245 A CA 1.861 53.742 52.037 -0.260 0.000 0.620 245 A CB -0.518 18.047 19.000 -0.726 0.000 0.819 245 A HN 0.344 nan 8.150 nan 0.000 0.442 246 D N -0.055 120.271 120.400 -0.123 0.000 2.182 246 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 246 D C 1.621 177.918 176.300 -0.005 0.000 0.986 246 D CA 0.969 54.942 54.000 -0.046 0.000 0.847 246 D CB -0.211 40.572 40.800 -0.029 0.000 0.942 246 D HN 0.460 nan 8.370 nan 0.000 0.467 247 L N -0.838 120.392 121.223 0.011 0.000 2.558 247 L HA 0.183 4.522 4.340 -0.000 0.000 0.225 247 L C 1.347 178.242 176.870 0.040 0.000 1.128 247 L CA 0.307 55.167 54.840 0.034 0.000 0.868 247 L CB 0.074 42.167 42.059 0.058 0.000 1.006 247 L HN 0.089 nan 8.230 nan 0.000 0.454 248 G N 0.717 109.537 108.800 0.032 0.000 2.160 248 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.244 248 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.244 248 G C 0.167 175.105 174.900 0.063 0.000 1.022 248 G CA -0.034 45.092 45.100 0.043 0.000 0.741 248 G HN 0.211 nan 8.290 nan 0.000 0.508 249 L N -1.281 119.990 121.223 0.080 0.000 2.479 249 L HA 0.509 4.849 4.340 -0.000 0.000 0.248 249 L C 1.748 178.662 176.870 0.073 0.000 1.205 249 L CA -0.222 54.690 54.840 0.120 0.000 0.817 249 L CB 0.575 42.755 42.059 0.201 0.000 1.162 249 L HN 0.104 nan 8.230 nan 0.000 0.486 250 K N -1.266 119.182 120.400 0.081 0.000 2.425 250 K HA 0.221 4.541 4.320 -0.000 0.000 0.201 250 K C -0.411 176.045 176.600 -0.240 0.000 1.128 250 K CA -0.056 56.198 56.287 -0.054 0.000 1.000 250 K CB 0.709 33.201 32.500 -0.013 0.000 0.961 250 K HN 0.455 nan 8.250 nan 0.000 0.555 251 H N -0.408 118.622 119.070 -0.067 0.000 2.690 251 H HA 0.561 5.117 4.556 -0.000 0.000 0.368 251 H C -1.346 173.891 175.328 -0.151 0.000 1.150 251 H CA -0.668 55.303 56.048 -0.128 0.000 1.174 251 H CB 2.134 31.873 29.762 -0.038 0.000 1.684 251 H HN 0.114 nan 8.280 nan 0.000 0.538 252 A N 2.943 125.736 122.820 -0.046 0.000 2.343 252 A HA 0.488 4.808 4.320 -0.000 0.000 0.308 252 A C -0.803 176.724 177.584 -0.094 0.000 1.092 252 A CA -0.752 51.238 52.037 -0.079 0.000 0.751 252 A CB 0.918 19.886 19.000 -0.054 0.000 1.203 252 A HN 0.716 nan 8.150 nan 0.000 0.452 253 M N 3.517 123.054 119.600 -0.105 0.000 2.264 253 M HA 0.687 5.167 4.480 -0.000 0.000 0.352 253 M C -1.766 174.484 176.300 -0.082 0.000 1.173 253 M CA -0.347 54.912 55.300 -0.069 0.000 1.075 253 M CB 1.148 33.732 32.600 -0.027 0.000 1.621 253 M HN 0.398 nan 8.290 nan 0.000 0.457 254 V N 3.697 123.549 119.914 -0.104 0.000 2.686 254 V HA 0.292 4.412 4.120 -0.000 0.000 0.306 254 V C -1.162 174.844 176.094 -0.147 0.000 1.065 254 V CA -0.934 61.289 62.300 -0.129 0.000 0.894 254 V CB 2.105 33.839 31.823 -0.150 0.000 1.004 254 V HN 0.761 nan 8.190 nan 0.000 0.424 255 D N 3.269 123.592 120.400 -0.129 0.000 2.416 255 D HA 0.134 4.774 4.640 -0.000 0.000 0.240 255 D C 1.287 177.482 176.300 -0.175 0.000 1.250 255 D CA 0.055 53.984 54.000 -0.119 0.000 0.967 255 D CB 1.483 42.226 40.800 -0.096 0.000 1.059 255 D HN 0.469 nan 8.370 nan 0.000 0.512 256 V N 0.728 120.468 119.914 -0.290 0.000 2.427 256 V HA -0.207 3.913 4.120 -0.000 0.000 0.248 256 V C 1.954 177.841 176.094 -0.345 0.000 1.051 256 V CA 0.890 62.933 62.300 -0.429 0.000 1.048 256 V CB -0.720 30.578 31.823 -0.876 0.000 0.666 256 V HN 0.293 nan 8.190 nan 0.000 0.456 257 V N 0.393 120.177 119.914 -0.217 0.000 2.358 257 V HA -0.145 3.975 4.120 -0.000 0.000 0.246 257 V C 2.485 178.544 176.094 -0.057 0.000 1.047 257 V CA 2.349 64.613 62.300 -0.060 0.000 1.035 257 V CB -0.495 31.390 31.823 0.104 0.000 0.658 257 V HN 0.446 nan 8.190 nan 0.000 0.452 258 I N -0.145 120.394 120.570 -0.052 0.000 2.286 258 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 258 I C 2.566 178.645 176.117 -0.064 0.000 1.104 258 I CA 1.619 62.898 61.300 -0.035 0.000 1.397 258 I CB -0.602 37.381 38.000 -0.028 0.000 1.072 258 I HN 0.284 nan 8.210 nan 0.000 0.417 259 T N 0.426 114.921 114.554 -0.099 0.000 2.665 259 T HA -0.025 4.325 4.350 -0.000 0.000 0.268 259 T C 0.992 175.634 174.700 -0.096 0.000 1.035 259 T CA 1.320 63.365 62.100 -0.092 0.000 1.151 259 T CB -0.646 68.156 68.868 -0.110 0.000 0.862 259 T HN 0.684 nan 8.240 nan 0.000 0.438 260 G N -0.626 108.058 108.800 -0.192 0.000 2.712 260 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.683 260 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.683 260 G C 0.166 174.940 174.900 -0.211 0.000 1.320 260 G CA -0.215 44.728 45.100 -0.260 0.000 0.847 260 G HN 0.399 nan 8.290 nan 0.000 0.553 261 W N 0.423 121.785 121.300 0.104 0.000 2.467 261 W HA 0.213 4.873 4.660 -0.000 0.000 0.275 261 W C 2.549 179.120 176.519 0.087 0.000 1.239 261 W CA 1.025 58.432 57.345 0.103 0.000 1.266 261 W CB -0.174 29.330 29.460 0.074 0.000 1.112 261 W HN 0.924 nan 8.180 nan 0.000 0.576 262 G N 0.484 109.433 108.800 0.249 0.000 2.422 262 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.218 262 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.218 262 G C 1.549 176.532 174.900 0.138 0.000 1.146 262 G CA 1.324 46.524 45.100 0.167 0.000 0.769 262 G HN 0.307 nan 8.290 nan 0.000 0.547 263 A N -0.892 122.003 122.820 0.126 0.000 2.324 263 A HA 0.504 4.824 4.320 -0.000 0.000 0.220 263 A C 1.958 179.639 177.584 0.161 0.000 1.209 263 A CA 0.108 52.230 52.037 0.141 0.000 0.918 263 A CB 0.019 19.084 19.000 0.108 0.000 0.959 263 A HN 0.235 nan 8.150 nan 0.000 0.507 264 L N 0.577 121.879 121.223 0.132 0.000 2.042 264 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 264 L C 2.373 179.322 176.870 0.131 0.000 1.076 264 L CA 2.289 57.191 54.840 0.105 0.000 0.749 264 L CB -0.678 41.451 42.059 0.117 0.000 0.893 264 L HN 0.528 nan 8.230 nan 0.000 0.432 265 R N -2.138 118.473 120.500 0.185 0.000 2.081 265 R HA -0.254 4.086 4.340 -0.000 0.000 0.235 265 R C 2.426 178.804 176.300 0.130 0.000 1.131 265 R CA 1.697 57.897 56.100 0.165 0.000 0.960 265 R CB -0.584 29.820 30.300 0.174 0.000 0.856 265 R HN 0.433 nan 8.270 nan 0.000 0.436 266 Y N 0.879 121.204 120.300 0.040 0.000 2.165 266 Y HA -0.212 4.338 4.550 -0.000 0.000 0.286 266 Y C 1.825 177.726 175.900 0.002 0.000 1.155 266 Y CA 1.488 59.596 58.100 0.013 0.000 1.164 266 Y CB -0.113 38.353 38.460 0.010 0.000 0.978 266 Y HN 0.041 nan 8.280 nan 0.000 0.513 267 I N 0.712 121.211 120.570 -0.120 0.000 2.315 267 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 267 I C 2.614 178.632 176.117 -0.164 0.000 1.117 267 I CA 1.397 62.577 61.300 -0.199 0.000 1.404 267 I CB -1.190 36.774 38.000 -0.060 0.000 1.071 267 I HN 0.303 nan 8.210 nan 0.000 0.419 268 R N 1.361 121.813 120.500 -0.079 0.000 2.075 268 R HA -0.174 4.166 4.340 -0.000 0.000 0.232 268 R C 1.556 177.815 176.300 -0.067 0.000 1.126 268 R CA 1.682 57.756 56.100 -0.043 0.000 0.963 268 R CB -0.339 29.974 30.300 0.021 0.000 0.858 268 R HN 0.267 nan 8.270 nan 0.000 0.435 269 D N 0.902 121.245 120.400 -0.096 0.000 2.144 269 D HA -0.148 4.492 4.640 -0.000 0.000 0.200 269 D C 1.837 178.014 176.300 -0.206 0.000 0.978 269 D CA 0.689 54.621 54.000 -0.113 0.000 0.833 269 D CB -0.200 40.551 40.800 -0.081 0.000 0.961 269 D HN 0.143 nan 8.370 nan 0.000 0.470 270 L N 0.914 121.934 121.223 -0.338 0.000 2.027 270 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 270 L C 2.119 178.808 176.870 -0.302 0.000 1.074 270 L CA 1.619 56.199 54.840 -0.434 0.000 0.745 270 L CB -0.952 40.775 42.059 -0.553 0.000 0.898 270 L HN -0.021 nan 8.230 nan 0.000 0.433 271 A N -0.574 122.173 122.820 -0.122 0.000 1.908 271 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 271 A C 2.431 180.044 177.584 0.048 0.000 1.181 271 A CA 1.946 53.998 52.037 0.026 0.000 0.627 271 A CB -1.129 17.874 19.000 0.005 0.000 0.818 271 A HN 0.559 nan 8.150 nan 0.000 0.445 272 A N -0.078 122.739 122.820 -0.005 0.000 1.930 272 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 272 A C 1.735 179.315 177.584 -0.007 0.000 1.175 272 A CA 1.771 53.825 52.037 0.028 0.000 0.627 272 A CB -0.542 18.456 19.000 -0.004 0.000 0.815 272 A HN 0.452 nan 8.150 nan 0.000 0.443 273 D N -1.139 119.196 120.400 -0.108 0.000 2.144 273 D HA -0.139 4.501 4.640 -0.000 0.000 0.199 273 D C 1.225 177.495 176.300 -0.049 0.000 0.984 273 D CA 1.217 55.132 54.000 -0.141 0.000 0.834 273 D CB -0.346 40.280 40.800 -0.291 0.000 0.955 273 D HN 0.560 nan 8.370 nan 0.000 0.465 274 Y N 0.039 120.345 120.300 0.010 0.000 2.546 274 Y HA 0.239 4.789 4.550 -0.000 0.000 0.287 274 Y C 1.820 177.754 175.900 0.057 0.000 1.158 274 Y CA 0.245 58.359 58.100 0.024 0.000 1.307 274 Y CB -0.203 38.262 38.460 0.008 0.000 1.036 274 Y HN 0.017 nan 8.280 nan 0.000 0.532 275 G N 0.709 109.648 108.800 0.232 0.000 2.198 275 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.257 275 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.257 275 G C -0.282 174.791 174.900 0.287 0.000 1.042 275 G CA 0.058 45.331 45.100 0.288 0.000 0.791 275 G HN 0.275 nan 8.290 nan 0.000 0.502 276 L N 0.154 121.492 121.223 0.191 0.000 2.307 276 L HA 0.766 5.106 4.340 -0.000 0.000 0.284 276 L C 0.869 177.631 176.870 -0.180 0.000 1.023 276 L CA -0.607 54.204 54.840 -0.049 0.000 0.810 276 L CB 1.812 43.873 42.059 0.004 0.000 1.231 276 L HN 0.311 nan 8.230 nan 0.000 0.423 277 A N 4.447 126.857 122.820 -0.684 0.000 2.340 277 A HA 0.689 5.009 4.320 -0.000 0.000 0.268 277 A C -0.357 177.033 177.584 -0.322 0.000 1.100 277 A CA -0.312 51.337 52.037 -0.647 0.000 0.803 277 A CB 0.239 18.553 19.000 -1.144 0.000 1.043 277 A HN 0.653 nan 8.150 nan 0.000 0.488 278 I N 1.334 121.811 120.570 -0.155 0.000 2.354 278 I HA 0.215 4.385 4.170 -0.000 0.000 0.292 278 I C -0.268 175.767 176.117 -0.136 0.000 0.989 278 I CA -0.367 60.863 61.300 -0.117 0.000 1.188 278 I CB 1.451 39.395 38.000 -0.093 0.000 1.342 278 I HN 0.784 nan 8.210 nan 0.000 0.457 279 H N 4.783 123.672 119.070 -0.302 0.000 2.594 279 H HA 0.521 5.077 4.556 -0.000 0.000 0.304 279 H C 0.096 175.266 175.328 -0.263 0.000 1.068 279 H CA -0.350 55.451 56.048 -0.411 0.000 1.308 279 H CB 1.177 30.461 29.762 -0.796 0.000 1.409 279 H HN 0.700 nan 8.280 nan 0.000 0.460 280 G N 4.746 113.178 108.800 -0.613 0.000 2.329 280 G HA2 0.129 4.089 3.960 -0.000 0.000 0.309 280 G HA3 0.129 4.089 3.960 -0.000 0.000 0.309 280 G C -0.956 173.623 174.900 -0.535 0.000 1.110 280 G CA -0.431 44.372 45.100 -0.495 0.000 0.923 280 G HN 0.733 nan 8.290 nan 0.000 0.430 281 H N 2.419 121.197 119.070 -0.487 0.000 2.467 281 H HA 0.258 4.813 4.556 -0.000 0.000 0.331 281 H C 0.816 175.904 175.328 -0.401 0.000 1.120 281 H CA -0.516 55.213 56.048 -0.531 0.000 1.270 281 H CB 1.462 30.998 29.762 -0.377 0.000 1.466 281 H HN 0.644 nan 8.280 nan 0.000 0.504 282 R N 2.824 122.984 120.500 -0.567 0.000 2.507 282 R HA 0.425 4.765 4.340 -0.000 0.000 0.298 282 R C 0.300 176.606 176.300 0.009 0.000 0.999 282 R CA -0.404 55.534 56.100 -0.270 0.000 1.082 282 R CB 0.211 30.275 30.300 -0.395 0.000 1.246 282 R HN 0.358 nan 8.270 nan 0.000 0.553 283 A N 1.778 124.706 122.820 0.180 0.000 2.598 283 A HA 0.076 4.396 4.320 -0.000 0.000 0.239 283 A C 0.950 178.586 177.584 0.087 0.000 1.032 283 A CA 1.063 53.220 52.037 0.200 0.000 0.760 283 A CB -0.150 18.970 19.000 0.199 0.000 0.946 283 A HN 0.836 nan 8.150 nan 0.000 0.512 284 M N 0.463 120.074 119.600 0.018 0.000 3.011 284 M HA -0.301 4.179 4.480 -0.000 0.000 0.211 284 M C 1.011 177.189 176.300 -0.203 0.000 0.583 284 M CA 2.025 57.300 55.300 -0.042 0.000 0.808 284 M CB -2.067 30.560 32.600 0.044 0.000 2.882 284 M HN 1.279 nan 8.290 nan 0.000 0.294 285 H N -0.237 118.674 119.070 -0.266 0.000 2.387 285 H HA 0.238 4.793 4.556 -0.000 0.000 0.299 285 H C 1.711 176.586 175.328 -0.755 0.000 1.099 285 H CA 2.117 57.795 56.048 -0.616 0.000 1.315 285 H CB -0.622 28.937 29.762 -0.338 0.000 1.380 285 H HN 0.521 nan 8.280 nan 0.000 0.513 286 A N 1.187 123.205 122.820 -1.336 0.000 2.121 286 A HA 0.121 4.441 4.320 -0.000 0.000 0.218 286 A C 2.588 179.907 177.584 -0.441 0.000 1.154 286 A CA 1.000 52.514 52.037 -0.870 0.000 0.679 286 A CB -1.097 17.484 19.000 -0.699 0.000 0.795 286 A HN 0.724 nan 8.150 nan 0.000 0.458 287 A N -0.373 122.220 122.820 -0.377 0.000 2.024 287 A HA 0.039 4.359 4.320 -0.000 0.000 0.220 287 A C 1.604 179.188 177.584 -0.001 0.000 1.164 287 A CA 1.646 53.612 52.037 -0.119 0.000 0.643 287 A CB -0.632 18.378 19.000 0.016 0.000 0.806 287 A HN 1.149 nan 8.150 nan 0.000 0.451 288 F N -3.110 116.817 119.950 -0.039 0.000 2.817 288 F HA 0.237 4.764 4.527 -0.000 0.000 0.333 288 F C 1.452 177.245 175.800 -0.012 0.000 1.085 288 F CA 0.578 58.556 58.000 -0.037 0.000 1.170 288 F CB -0.432 38.520 39.000 -0.081 0.000 1.066 288 F HN 0.034 nan 8.300 nan 0.000 0.564 289 T N -2.815 111.629 114.554 -0.182 0.000 3.069 289 T HA 0.221 4.571 4.350 -0.000 0.000 0.252 289 T C 1.686 176.392 174.700 0.010 0.000 1.053 289 T CA 0.228 62.325 62.100 -0.006 0.000 0.964 289 T CB -0.028 68.865 68.868 0.041 0.000 1.005 289 T HN 0.369 nan 8.240 nan 0.000 0.532 290 R N 1.358 121.839 120.500 -0.030 0.000 2.075 290 R HA 0.163 4.502 4.340 -0.000 0.000 0.220 290 R C 0.676 176.998 176.300 0.037 0.000 1.118 290 R CA 0.231 56.326 56.100 -0.009 0.000 0.986 290 R CB -0.120 30.153 30.300 -0.045 0.000 0.884 290 R HN 0.245 nan 8.270 nan 0.000 0.439 291 N N 1.981 120.725 118.700 0.073 0.000 2.427 291 N HA -0.008 4.732 4.740 -0.000 0.000 0.269 291 N C -1.903 173.670 175.510 0.105 0.000 1.235 291 N CA -1.480 51.645 53.050 0.126 0.000 0.934 291 N CB 1.504 40.105 38.487 0.191 0.000 1.121 291 N HN 0.118 nan 8.380 nan 0.000 0.480 292 P HA -0.078 nan 4.420 nan 0.000 0.234 292 P C 0.003 177.155 177.300 -0.245 0.000 1.167 292 P CA 1.124 64.132 63.100 -0.153 0.000 0.763 292 P CB 0.034 31.564 31.700 -0.282 0.000 0.835 293 Y N -2.312 118.083 120.300 0.160 0.000 2.445 293 Y HA 0.283 4.833 4.550 -0.000 0.000 0.247 293 Y C 1.105 177.183 175.900 0.297 0.000 1.129 293 Y CA -0.121 58.102 58.100 0.205 0.000 1.251 293 Y CB 0.378 38.944 38.460 0.175 0.000 1.176 293 Y HN 0.034 nan 8.280 nan 0.000 0.522 294 H N -0.760 118.467 119.070 0.262 0.000 3.086 294 H HA 0.505 5.061 4.556 -0.000 0.000 0.353 294 H C 0.014 175.442 175.328 0.167 0.000 1.134 294 H CA 0.297 56.490 56.048 0.241 0.000 1.248 294 H CB 1.778 31.665 29.762 0.208 0.000 1.878 294 H HN 0.338 nan 8.280 nan 0.000 0.527 295 G N 3.171 111.800 108.800 -0.285 0.000 2.341 295 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.196 295 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.196 295 G C -1.499 173.369 174.900 -0.054 0.000 1.231 295 G CA -0.303 44.633 45.100 -0.274 0.000 1.155 295 G HN 0.553 nan 8.290 nan 0.000 0.529 296 I N 1.110 121.749 120.570 0.115 0.000 2.466 296 I HA 0.509 4.679 4.170 -0.000 0.000 0.289 296 I C 0.688 176.946 176.117 0.236 0.000 1.026 296 I CA -0.634 60.792 61.300 0.209 0.000 1.078 296 I CB 1.992 40.117 38.000 0.208 0.000 1.249 296 I HN 0.663 nan 8.210 nan 0.000 0.429 297 S N 4.549 120.354 115.700 0.174 0.000 2.572 297 S HA 0.067 4.537 4.470 -0.000 0.000 0.279 297 S C 1.064 175.762 174.600 0.164 0.000 1.341 297 S CA -0.373 57.917 58.200 0.151 0.000 1.043 297 S CB 0.710 63.995 63.200 0.142 0.000 0.887 297 S HN 0.648 nan 8.310 nan 0.000 0.516 298 M N 4.755 124.431 119.600 0.127 0.000 2.279 298 M HA 0.020 4.500 4.480 -0.000 0.000 0.264 298 M C 1.234 177.561 176.300 0.045 0.000 1.062 298 M CA 1.554 56.897 55.300 0.072 0.000 1.099 298 M CB -0.905 31.701 32.600 0.009 0.000 1.394 298 M HN 0.844 nan 8.290 nan 0.000 0.426 299 F N -0.679 119.227 119.950 -0.074 0.000 2.134 299 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 299 F C 1.811 177.521 175.800 -0.150 0.000 1.097 299 F CA 1.726 59.633 58.000 -0.156 0.000 1.264 299 F CB -0.344 38.559 39.000 -0.161 0.000 1.001 299 F HN -0.028 nan 8.300 nan 0.000 0.479 300 V N -0.029 119.941 119.914 0.095 0.000 2.307 300 V HA -0.288 3.832 4.120 -0.000 0.000 0.245 300 V C 2.342 178.338 176.094 -0.163 0.000 1.045 300 V CA 1.434 63.704 62.300 -0.050 0.000 1.024 300 V CB -0.742 31.082 31.823 0.003 0.000 0.651 300 V HN 0.259 nan 8.190 nan 0.000 0.449 301 L N 0.553 121.735 121.223 -0.069 0.000 2.012 301 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 301 L C 2.628 179.369 176.870 -0.216 0.000 1.073 301 L CA 2.364 57.124 54.840 -0.133 0.000 0.748 301 L CB -1.433 40.678 42.059 0.087 0.000 0.891 301 L HN 0.310 nan 8.230 nan 0.000 0.431 302 A N -0.929 121.787 122.820 -0.174 0.000 1.908 302 A HA -0.279 4.041 4.320 -0.000 0.000 0.218 302 A C 2.462 179.880 177.584 -0.277 0.000 1.181 302 A CA 2.072 53.989 52.037 -0.200 0.000 0.627 302 A CB -0.527 18.281 19.000 -0.320 0.000 0.818 302 A HN 0.410 nan 8.150 nan 0.000 0.445 303 K N -0.313 119.848 120.400 -0.399 0.000 2.026 303 K HA -0.067 4.252 4.320 -0.000 0.000 0.208 303 K C 1.932 178.357 176.600 -0.292 0.000 1.048 303 K CA 1.403 57.485 56.287 -0.343 0.000 0.929 303 K CB -0.313 31.941 32.500 -0.411 0.000 0.713 303 K HN 0.489 nan 8.250 nan 0.000 0.439 304 L N -0.006 121.011 121.223 -0.342 0.000 2.046 304 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 304 L C 2.409 179.189 176.870 -0.149 0.000 1.077 304 L CA 1.173 55.818 54.840 -0.325 0.000 0.747 304 L CB -0.614 41.233 42.059 -0.353 0.000 0.896 304 L HN 0.200 nan 8.230 nan 0.000 0.432 305 Y N -0.154 120.158 120.300 0.021 0.000 2.293 305 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 305 Y C 2.788 178.643 175.900 -0.074 0.000 1.137 305 Y CA 0.955 59.052 58.100 -0.004 0.000 1.202 305 Y CB -0.646 37.779 38.460 -0.059 0.000 0.990 305 Y HN 0.107 nan 8.280 nan 0.000 0.537 306 R N 0.430 120.929 120.500 -0.002 0.000 2.075 306 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 306 R C 1.981 178.238 176.300 -0.070 0.000 1.126 306 R CA 1.342 57.393 56.100 -0.082 0.000 0.963 306 R CB -0.463 29.711 30.300 -0.209 0.000 0.858 306 R HN 0.346 nan 8.270 nan 0.000 0.435 307 L N 0.445 121.578 121.223 -0.149 0.000 2.046 307 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 307 L C 2.473 179.294 176.870 -0.081 0.000 1.077 307 L CA 1.189 55.864 54.840 -0.276 0.000 0.747 307 L CB -0.345 41.176 42.059 -0.896 0.000 0.896 307 L HN 0.252 nan 8.230 nan 0.000 0.432 308 I N -0.390 120.193 120.570 0.020 0.000 2.286 308 I HA -0.165 4.005 4.170 -0.000 0.000 0.248 308 I C 1.390 177.615 176.117 0.179 0.000 1.115 308 I CA 1.302 62.755 61.300 0.256 0.000 1.392 308 I CB -0.357 37.831 38.000 0.313 0.000 1.065 308 I HN 0.518 nan 8.210 nan 0.000 0.418 309 G N 0.942 109.805 108.800 0.106 0.000 2.157 309 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.114 309 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.114 309 G C -0.007 174.915 174.900 0.037 0.000 1.041 309 G CA -0.776 44.364 45.100 0.067 0.000 0.714 309 G HN 0.053 nan 8.290 nan 0.000 0.492 310 I N 1.636 122.219 120.570 0.022 0.000 2.517 310 I HA 0.167 4.337 4.170 -0.000 0.000 0.285 310 I C 0.955 177.046 176.117 -0.043 0.000 1.106 310 I CA -0.159 61.115 61.300 -0.042 0.000 1.402 310 I CB 0.647 38.586 38.000 -0.103 0.000 1.399 310 I HN 0.120 nan 8.210 nan 0.000 0.535 311 D N 4.834 125.212 120.400 -0.038 0.000 2.194 311 D HA -0.047 4.593 4.640 -0.000 0.000 0.204 311 D C 0.304 176.616 176.300 0.020 0.000 0.964 311 D CA 1.129 55.133 54.000 0.007 0.000 0.846 311 D CB 0.582 41.406 40.800 0.039 0.000 0.962 311 D HN 0.616 nan 8.370 nan 0.000 0.490 312 Q N 0.022 119.786 119.800 -0.060 0.000 2.315 312 Q HA 0.596 4.936 4.340 -0.000 0.000 0.273 312 Q C -1.494 174.356 176.000 -0.250 0.000 1.053 312 Q CA -0.615 55.148 55.803 -0.066 0.000 0.817 312 Q CB 3.160 31.877 28.738 -0.035 0.000 1.326 312 Q HN -0.067 nan 8.270 nan 0.000 0.423 313 L N 0.994 122.102 121.223 -0.191 0.000 2.455 313 L HA 0.395 4.735 4.340 -0.000 0.000 0.264 313 L C -1.334 175.454 176.870 -0.137 0.000 0.968 313 L CA -0.226 54.486 54.840 -0.214 0.000 0.827 313 L CB 1.899 43.861 42.059 -0.162 0.000 1.317 313 L HN 0.695 nan 8.230 nan 0.000 0.407 314 H N 4.012 122.883 119.070 -0.332 0.000 2.848 314 H HA 0.255 4.811 4.556 -0.000 0.000 0.317 314 H C 0.584 175.763 175.328 -0.248 0.000 1.046 314 H CA 0.529 56.420 56.048 -0.262 0.000 1.470 314 H CB 1.583 31.143 29.762 -0.336 0.000 1.483 314 H HN 0.634 nan 8.280 nan 0.000 0.548 315 V N 0.429 120.274 119.914 -0.115 0.000 3.548 315 V HA 0.465 4.585 4.120 -0.000 0.000 0.279 315 V C 0.873 176.905 176.094 -0.103 0.000 1.446 315 V CA 0.472 62.695 62.300 -0.128 0.000 1.023 315 V CB 0.509 32.261 31.823 -0.119 0.000 0.820 315 V HN 1.036 nan 8.190 nan 0.000 0.438 316 G N 1.097 109.849 108.800 -0.080 0.000 2.462 316 G HA2 0.081 4.040 3.960 -0.000 0.000 0.685 316 G HA3 0.081 4.040 3.960 -0.000 0.000 0.685 316 G C 0.175 175.050 174.900 -0.042 0.000 1.295 316 G CA 0.362 45.436 45.100 -0.043 0.000 0.941 316 G HN 1.156 nan 8.290 nan 0.000 0.554 317 T N -2.584 111.955 114.554 -0.024 0.000 3.044 317 T HA 0.616 4.966 4.350 -0.000 0.000 0.260 317 T C 1.566 176.254 174.700 -0.019 0.000 1.019 317 T CA 1.684 63.767 62.100 -0.029 0.000 0.921 317 T CB 0.436 69.287 68.868 -0.029 0.000 1.053 317 T HN 2.703 nan 8.240 nan 0.000 0.533 318 A N 0.130 122.946 122.820 -0.007 0.000 2.996 318 A HA 0.197 4.517 4.320 -0.000 0.000 0.257 318 A C 1.779 179.374 177.584 0.018 0.000 1.394 318 A CA 1.262 53.304 52.037 0.008 0.000 0.820 318 A CB -2.104 16.897 19.000 0.003 0.000 1.054 318 A HN 2.092 nan 8.150 nan 0.000 0.619 319 G N -2.743 106.067 108.800 0.017 0.000 2.284 319 G HA2 0.155 4.114 3.960 -0.000 0.000 0.216 319 G HA3 0.155 4.114 3.960 -0.000 0.000 0.216 319 G C 1.543 176.450 174.900 0.012 0.000 1.009 319 G CA 1.162 46.275 45.100 0.022 0.000 0.625 319 G HN 2.180 nan 8.290 nan 0.000 0.501 320 A N 0.761 123.579 122.820 -0.004 0.000 2.015 320 A HA 0.535 4.855 4.320 -0.000 0.000 0.219 320 A C 1.892 179.460 177.584 -0.027 0.000 1.163 320 A CA 2.380 54.404 52.037 -0.021 0.000 0.646 320 A CB -0.562 18.408 19.000 -0.050 0.000 0.806 320 A HN 1.808 nan 8.150 nan 0.000 0.448 321 G N -0.993 107.795 108.800 -0.019 0.000 2.568 321 G HA2 0.398 4.358 3.960 -0.000 0.000 0.293 321 G HA3 0.398 4.358 3.960 -0.000 0.000 0.293 321 G C 0.650 175.554 174.900 0.007 0.000 1.347 321 G CA 0.105 45.195 45.100 -0.016 0.000 1.039 321 G HN 0.370 nan 8.290 nan 0.000 0.523 322 K N -1.254 119.153 120.400 0.012 0.000 2.459 322 K HA 0.199 4.519 4.320 -0.000 0.000 0.193 322 K C 0.027 176.644 176.600 0.027 0.000 1.030 322 K CA 0.191 56.491 56.287 0.022 0.000 1.026 322 K CB -0.178 32.336 32.500 0.023 0.000 0.809 322 K HN 0.204 nan 8.250 nan 0.000 0.504 323 L N 1.868 123.109 121.223 0.030 0.000 2.334 323 L HA 0.281 4.621 4.340 -0.000 0.000 0.276 323 L C 0.245 177.137 176.870 0.036 0.000 1.014 323 L CA -1.053 53.808 54.840 0.036 0.000 0.815 323 L CB 1.709 43.800 42.059 0.054 0.000 1.268 323 L HN 0.078 nan 8.230 nan 0.000 0.428 324 E N 1.648 121.868 120.200 0.033 0.000 2.436 324 E HA 0.336 4.686 4.350 -0.000 0.000 0.262 324 E C -0.241 176.386 176.600 0.045 0.000 1.063 324 E CA 0.539 56.959 56.400 0.034 0.000 0.944 324 E CB 1.088 30.803 29.700 0.025 0.000 0.950 324 E HN 0.763 nan 8.360 nan 0.000 0.444 325 G N 2.154 110.979 108.800 0.042 0.000 1.980 325 G HA2 0.278 4.238 3.960 -0.000 0.000 0.198 325 G HA3 0.278 4.238 3.960 -0.000 0.000 0.198 325 G C -0.110 174.817 174.900 0.045 0.000 1.587 325 G CA -0.363 44.763 45.100 0.043 0.000 0.975 325 G HN 0.615 nan 8.290 nan 0.000 0.682 326 G N 0.826 109.661 108.800 0.058 0.000 2.544 326 G HA2 0.411 4.371 3.960 -0.000 0.000 0.242 326 G HA3 0.411 4.371 3.960 -0.000 0.000 0.242 326 G C 1.047 176.004 174.900 0.095 0.000 1.247 326 G CA 0.285 45.434 45.100 0.082 0.000 0.840 326 G HN 0.860 nan 8.290 nan 0.000 0.578 327 K N 0.574 121.039 120.400 0.108 0.000 2.009 327 K HA -0.164 4.156 4.320 -0.000 0.000 0.210 327 K C 1.997 178.685 176.600 0.146 0.000 1.049 327 K CA 1.614 57.965 56.287 0.106 0.000 0.929 327 K CB -0.231 32.332 32.500 0.106 0.000 0.714 327 K HN 0.659 nan 8.250 nan 0.000 0.440 328 W N 2.388 123.704 121.300 0.027 0.000 2.358 328 W HA -0.183 4.477 4.660 -0.000 0.000 0.303 328 W C 1.537 178.088 176.519 0.053 0.000 1.208 328 W CA 1.739 59.111 57.345 0.045 0.000 1.274 328 W CB -0.182 29.309 29.460 0.051 0.000 1.138 328 W HN 0.206 nan 8.180 nan 0.000 0.515 329 D N 0.002 120.515 120.400 0.187 0.000 2.116 329 D HA -0.220 4.420 4.640 -0.000 0.000 0.193 329 D C 2.279 178.519 176.300 -0.100 0.000 0.998 329 D CA 2.297 56.298 54.000 0.002 0.000 0.836 329 D CB -0.791 40.059 40.800 0.083 0.000 0.951 329 D HN 0.137 nan 8.370 nan 0.000 0.449 330 V N 1.022 120.907 119.914 -0.047 0.000 2.515 330 V HA -0.174 3.946 4.120 -0.000 0.000 0.250 330 V C 2.492 178.524 176.094 -0.104 0.000 1.058 330 V CA 0.833 63.095 62.300 -0.063 0.000 1.064 330 V CB -0.288 31.516 31.823 -0.031 0.000 0.675 330 V HN 0.195 nan 8.190 nan 0.000 0.461 331 I N -0.081 120.412 120.570 -0.128 0.000 2.208 331 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 331 I C 2.709 178.713 176.117 -0.190 0.000 1.097 331 I CA 1.257 62.470 61.300 -0.145 0.000 1.363 331 I CB -0.381 37.534 38.000 -0.141 0.000 1.051 331 I HN 0.333 nan 8.210 nan 0.000 0.413 332 Q N 0.567 120.177 119.800 -0.317 0.000 2.079 332 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 332 Q C 1.940 177.866 176.000 -0.123 0.000 0.974 332 Q CA 1.292 56.958 55.803 -0.228 0.000 0.840 332 Q CB -0.844 27.598 28.738 -0.494 0.000 0.898 332 Q HN 0.534 nan 8.270 nan 0.000 0.430 333 N N 1.306 119.928 118.700 -0.129 0.000 2.061 333 N HA -0.160 4.580 4.740 -0.000 0.000 0.193 333 N C 1.690 177.057 175.510 -0.237 0.000 1.030 333 N CA 1.791 54.717 53.050 -0.206 0.000 0.856 333 N CB -0.470 37.931 38.487 -0.142 0.000 1.023 333 N HN 0.325 nan 8.380 nan 0.000 0.424 334 A N 1.266 123.987 122.820 -0.164 0.000 1.930 334 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 334 A C 2.269 179.765 177.584 -0.148 0.000 1.175 334 A CA 1.035 52.990 52.037 -0.137 0.000 0.627 334 A CB -0.319 18.629 19.000 -0.087 0.000 0.815 334 A HN 0.225 nan 8.150 nan 0.000 0.443 335 R N -1.214 119.213 120.500 -0.121 0.000 2.075 335 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 335 R C 1.885 178.087 176.300 -0.164 0.000 1.126 335 R CA 1.385 57.456 56.100 -0.048 0.000 0.963 335 R CB -0.461 29.928 30.300 0.148 0.000 0.858 335 R HN 0.472 nan 8.270 nan 0.000 0.435 336 I N 1.075 121.405 120.570 -0.400 0.000 2.614 336 I HA -0.164 4.006 4.170 -0.000 0.000 0.258 336 I C 1.765 177.538 176.117 -0.573 0.000 1.189 336 I CA 1.143 62.073 61.300 -0.617 0.000 1.462 336 I CB -0.041 37.257 38.000 -1.170 0.000 1.092 336 I HN 0.135 nan 8.210 nan 0.000 0.442 337 L N -0.781 120.178 121.223 -0.440 0.000 2.179 337 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 337 L C 2.351 178.989 176.870 -0.386 0.000 1.096 337 L CA 0.926 55.533 54.840 -0.388 0.000 0.779 337 L CB -0.302 41.604 42.059 -0.255 0.000 0.922 337 L HN 0.142 nan 8.230 nan 0.000 0.443 338 R N -0.875 119.436 120.500 -0.314 0.000 2.250 338 R HA 0.134 4.474 4.340 -0.000 0.000 0.194 338 R C 0.194 176.357 176.300 -0.228 0.000 0.927 338 R CA -0.065 55.884 56.100 -0.252 0.000 1.052 338 R CB 0.442 30.640 30.300 -0.169 0.000 1.055 338 R HN 0.282 nan 8.270 nan 0.000 0.537 339 E N 0.945 121.028 120.200 -0.195 0.000 2.313 339 E HA 0.022 4.371 4.350 -0.000 0.000 0.276 339 E C 0.553 177.131 176.600 -0.036 0.000 1.031 339 E CA -0.098 56.272 56.400 -0.051 0.000 0.857 339 E CB 1.524 31.290 29.700 0.110 0.000 1.040 339 E HN 0.098 nan 8.360 nan 0.000 0.408 340 S N 2.153 117.880 115.700 0.045 0.000 2.414 340 S HA -0.143 4.327 4.470 -0.000 0.000 0.227 340 S C 0.659 175.399 174.600 0.233 0.000 1.022 340 S CA 0.668 58.933 58.200 0.109 0.000 0.958 340 S CB -0.037 63.195 63.200 0.052 0.000 0.797 340 S HN 0.669 nan 8.310 nan 0.000 0.493 341 H N -0.331 118.811 119.070 0.120 0.000 3.036 341 H HA 0.363 4.919 4.556 -0.000 0.000 0.295 341 H C -1.716 173.713 175.328 0.168 0.000 1.124 341 H CA -1.160 54.954 56.048 0.111 0.000 1.507 341 H CB 0.513 30.283 29.762 0.014 0.000 1.591 341 H HN 0.357 nan 8.280 nan 0.000 0.510 342 Y N 6.250 126.777 120.300 0.378 0.000 2.393 342 Y HA 0.188 4.737 4.550 -0.000 0.000 0.338 342 Y C -0.805 175.249 175.900 0.257 0.000 1.029 342 Y CA -0.447 57.815 58.100 0.270 0.000 1.239 342 Y CB 0.352 38.990 38.460 0.297 0.000 1.170 342 Y HN 0.431 nan 8.280 nan 0.000 0.515 343 K N 8.322 128.481 120.400 -0.402 0.000 2.358 343 K HA 0.445 4.765 4.320 -0.000 0.000 0.260 343 K C -3.035 173.184 176.600 -0.635 0.000 0.956 343 K CA -2.012 54.032 56.287 -0.405 0.000 0.834 343 K CB 1.710 34.082 32.500 -0.212 0.000 1.102 343 K HN 0.402 nan 8.250 nan 0.000 0.431 344 P HA -0.010 nan 4.420 nan 0.000 0.269 344 P C -0.550 176.719 177.300 -0.053 0.000 1.215 344 P CA -0.118 62.865 63.100 -0.195 0.000 0.780 344 P CB 0.474 32.222 31.700 0.081 0.000 0.898 345 D N 0.870 121.321 120.400 0.086 0.000 2.443 345 D HA 0.005 4.645 4.640 -0.000 0.000 0.234 345 D C 1.856 178.191 176.300 0.059 0.000 1.172 345 D CA 0.537 54.601 54.000 0.106 0.000 0.878 345 D CB 0.211 41.154 40.800 0.238 0.000 1.204 345 D HN 0.537 nan 8.370 nan 0.000 0.453 346 E N 1.803 122.017 120.200 0.023 0.000 2.097 346 E HA -0.260 4.089 4.350 -0.000 0.000 0.196 346 E C 1.085 177.673 176.600 -0.021 0.000 1.000 346 E CA 1.855 58.252 56.400 -0.004 0.000 0.804 346 E CB -0.924 28.770 29.700 -0.010 0.000 0.740 346 E HN 0.663 nan 8.360 nan 0.000 0.454 347 N N 0.327 119.013 118.700 -0.023 0.000 2.320 347 N HA 0.107 4.847 4.740 -0.000 0.000 0.237 347 N C -0.521 174.926 175.510 -0.104 0.000 1.129 347 N CA 0.130 53.133 53.050 -0.078 0.000 0.854 347 N CB 0.490 38.921 38.487 -0.093 0.000 1.083 347 N HN 0.216 nan 8.380 nan 0.000 0.504 348 D N 0.384 120.782 120.400 -0.003 0.000 2.352 348 D HA 0.044 4.684 4.640 -0.000 0.000 0.245 348 D C 0.389 176.614 176.300 -0.124 0.000 1.224 348 D CA -0.238 53.807 54.000 0.075 0.000 0.879 348 D CB 1.309 42.328 40.800 0.365 0.000 1.057 348 D HN -0.062 nan 8.370 nan 0.000 0.491 349 V N 4.326 123.998 119.914 -0.403 0.000 3.649 349 V HA 0.000 4.120 4.120 -0.000 0.000 0.275 349 V C 0.939 176.646 176.094 -0.644 0.000 1.281 349 V CA 0.595 62.507 62.300 -0.646 0.000 1.143 349 V CB -0.567 30.686 31.823 -0.948 0.000 0.892 349 V HN 0.471 nan 8.190 nan 0.000 0.441 350 F N -1.157 118.625 119.950 -0.280 0.000 2.553 350 F HA 0.333 4.860 4.527 -0.000 0.000 0.282 350 F C 1.118 176.623 175.800 -0.492 0.000 1.089 350 F CA -0.208 57.517 58.000 -0.458 0.000 1.411 350 F CB 0.056 38.611 39.000 -0.741 0.000 1.125 350 F HN 0.225 nan 8.300 nan 0.000 0.610 351 H N -0.436 118.690 119.070 0.094 0.000 2.621 351 H HA 0.667 5.223 4.556 -0.000 0.000 0.360 351 H C -0.733 174.676 175.328 0.135 0.000 1.163 351 H CA -0.899 55.152 56.048 0.004 0.000 1.194 351 H CB 1.921 31.566 29.762 -0.194 0.000 1.649 351 H HN -0.185 nan 8.280 nan 0.000 0.532 352 L N 0.671 122.102 121.223 0.347 0.000 2.322 352 L HA 0.299 4.639 4.340 -0.000 0.000 0.269 352 L C 0.368 177.464 176.870 0.377 0.000 1.012 352 L CA -0.911 54.086 54.840 0.262 0.000 0.815 352 L CB 1.737 43.897 42.059 0.169 0.000 1.295 352 L HN 0.641 nan 8.230 nan 0.000 0.438 353 E N 1.696 122.036 120.200 0.233 0.000 2.452 353 E HA -0.010 4.340 4.350 -0.000 0.000 0.261 353 E C -0.910 175.907 176.600 0.362 0.000 0.987 353 E CA 0.105 56.666 56.400 0.269 0.000 0.926 353 E CB 0.691 30.494 29.700 0.171 0.000 0.934 353 E HN 0.418 nan 8.360 nan 0.000 0.452 354 Q N 3.269 123.293 119.800 0.374 0.000 2.263 354 Q HA 0.262 4.602 4.340 -0.000 0.000 0.262 354 Q C -1.809 174.140 176.000 -0.085 0.000 0.984 354 Q CA -0.586 55.315 55.803 0.164 0.000 0.813 354 Q CB 1.246 30.005 28.738 0.035 0.000 1.299 354 Q HN 0.380 nan 8.270 nan 0.000 0.428 355 K N 3.049 123.258 120.400 -0.318 0.000 2.118 355 K HA 0.382 4.702 4.320 -0.000 0.000 0.267 355 K C -0.378 175.888 176.600 -0.557 0.000 0.991 355 K CA -0.254 55.701 56.287 -0.554 0.000 0.916 355 K CB 0.754 32.692 32.500 -0.937 0.000 1.041 355 K HN 0.600 nan 8.250 nan 0.000 0.455 356 F N 0.848 120.622 119.950 -0.295 0.000 2.706 356 F HA 0.112 4.639 4.527 -0.000 0.000 0.308 356 F C 0.094 175.916 175.800 0.036 0.000 1.095 356 F CA -0.283 57.672 58.000 -0.076 0.000 1.244 356 F CB -0.000 38.958 39.000 -0.070 0.000 1.063 356 F HN 0.641 nan 8.300 nan 0.000 0.582 357 Y N -0.516 119.841 120.300 0.096 0.000 2.817 357 Y HA -0.496 4.054 4.550 -0.000 0.000 0.471 357 Y C 2.127 178.067 175.900 0.066 0.000 1.142 357 Y CA 1.296 59.428 58.100 0.053 0.000 2.725 357 Y CB -1.905 36.565 38.460 0.017 0.000 1.169 357 Y HN 0.032 nan 8.280 nan 0.000 0.619 358 S N 0.615 116.464 115.700 0.248 0.000 2.597 358 S HA 0.297 4.767 4.470 -0.000 0.000 0.224 358 S C 0.111 174.776 174.600 0.107 0.000 0.955 358 S CA -0.186 58.093 58.200 0.132 0.000 0.933 358 S CB -0.268 62.989 63.200 0.094 0.000 0.788 358 S HN 0.301 nan 8.310 nan 0.000 0.488 359 I N 3.357 124.020 120.570 0.154 0.000 2.517 359 I HA 0.178 4.348 4.170 -0.000 0.000 0.285 359 I C 0.767 176.894 176.117 0.017 0.000 1.106 359 I CA 0.033 61.401 61.300 0.114 0.000 1.402 359 I CB -0.016 38.112 38.000 0.213 0.000 1.399 359 I HN 0.254 nan 8.210 nan 0.000 0.535 360 K N 4.157 124.544 120.400 -0.021 0.000 2.230 360 K HA 0.384 4.704 4.320 -0.000 0.000 0.253 360 K C 0.279 176.792 176.600 -0.144 0.000 1.008 360 K CA -0.486 55.760 56.287 -0.069 0.000 0.910 360 K CB 0.574 33.041 32.500 -0.055 0.000 0.994 360 K HN 0.729 nan 8.250 nan 0.000 0.495 361 A N 0.866 123.584 122.820 -0.170 0.000 2.425 361 A HA 0.457 4.777 4.320 -0.000 0.000 0.249 361 A C -0.320 177.140 177.584 -0.208 0.000 1.084 361 A CA -0.240 51.657 52.037 -0.232 0.000 0.781 361 A CB 0.373 19.232 19.000 -0.235 0.000 1.019 361 A HN 0.693 nan 8.150 nan 0.000 0.490 362 A N 1.310 124.003 122.820 -0.213 0.000 2.325 362 A HA 0.679 4.999 4.320 -0.000 0.000 0.333 362 A C -0.713 176.805 177.584 -0.110 0.000 1.155 362 A CA -0.499 51.457 52.037 -0.135 0.000 0.814 362 A CB 0.349 19.277 19.000 -0.120 0.000 1.206 362 A HN 0.696 nan 8.150 nan 0.000 0.482 363 F N 2.709 122.605 119.950 -0.091 0.000 2.466 363 F HA 0.333 4.860 4.527 -0.000 0.000 0.363 363 F C -1.939 173.797 175.800 -0.106 0.000 1.109 363 F CA -1.893 56.060 58.000 -0.078 0.000 1.161 363 F CB 0.737 39.712 39.000 -0.043 0.000 1.117 363 F HN 0.265 nan 8.300 nan 0.000 0.539 364 P HA 0.117 nan 4.420 nan 0.000 0.271 364 P C -0.746 176.549 177.300 -0.009 0.000 1.216 364 P CA -0.047 63.061 63.100 0.015 0.000 0.776 364 P CB 0.639 32.329 31.700 -0.016 0.000 0.881 365 T N 2.042 116.522 114.554 -0.124 0.000 2.812 365 T HA 0.402 4.752 4.350 -0.000 0.000 0.282 365 T C -0.287 174.250 174.700 -0.272 0.000 0.990 365 T CA -0.376 61.583 62.100 -0.235 0.000 0.960 365 T CB 0.584 69.193 68.868 -0.431 0.000 0.948 365 T HN 0.096 nan 8.240 nan 0.000 0.438 366 S N 2.399 117.990 115.700 -0.183 0.000 2.449 366 S HA 0.793 5.263 4.470 -0.000 0.000 0.310 366 S C -0.417 174.120 174.600 -0.105 0.000 1.096 366 S CA -0.650 57.474 58.200 -0.127 0.000 1.095 366 S CB 1.302 64.457 63.200 -0.075 0.000 1.007 366 S HN 0.750 nan 8.310 nan 0.000 0.474 367 S N 2.194 117.856 115.700 -0.063 0.000 2.543 367 S HA 0.744 5.214 4.470 -0.000 0.000 0.274 367 S C -0.767 173.859 174.600 0.043 0.000 1.149 367 S CA 0.175 58.381 58.200 0.010 0.000 0.866 367 S CB 1.224 64.465 63.200 0.068 0.000 1.111 367 S HN 1.681 nan 8.310 nan 0.000 0.457 368 G N 1.321 110.147 108.800 0.044 0.000 2.949 368 G HA2 0.455 4.415 3.960 -0.000 0.000 0.658 368 G HA3 0.455 4.415 3.960 -0.000 0.000 0.658 368 G C 0.975 175.875 174.900 0.000 0.000 1.194 368 G CA 0.484 45.608 45.100 0.040 0.000 1.204 368 G HN 2.276 nan 8.290 nan 0.000 0.524 369 G N -0.098 108.694 108.800 -0.014 0.000 2.179 369 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.257 369 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.257 369 G C 0.622 175.469 174.900 -0.089 0.000 1.010 369 G CA 0.699 45.773 45.100 -0.044 0.000 0.736 369 G HN 1.417 nan 8.290 nan 0.000 0.513 370 L N 0.224 121.378 121.223 -0.114 0.000 2.395 370 L HA 0.711 5.051 4.340 -0.000 0.000 0.269 370 L C 0.859 177.587 176.870 -0.238 0.000 1.133 370 L CA -0.556 54.168 54.840 -0.193 0.000 0.812 370 L CB 0.939 42.914 42.059 -0.140 0.000 1.125 370 L HN 0.638 nan 8.230 nan 0.000 0.452 371 H N 0.042 118.944 119.070 -0.280 0.000 2.960 371 H HA 0.379 4.935 4.556 -0.000 0.000 0.323 371 H C -2.664 172.547 175.328 -0.194 0.000 1.326 371 H CA -1.828 53.997 56.048 -0.371 0.000 1.124 371 H CB 0.626 29.955 29.762 -0.722 0.000 1.853 371 H HN 0.103 nan 8.280 nan 0.000 0.536 372 P HA -0.048 nan 4.420 nan 0.000 0.219 372 P C 1.576 178.879 177.300 0.004 0.000 1.146 372 P CA 2.309 65.416 63.100 0.012 0.000 0.808 372 P CB -0.174 31.584 31.700 0.097 0.000 0.779 373 G N 0.557 109.491 108.800 0.223 0.000 2.432 373 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.219 373 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.219 373 G C 1.016 175.825 174.900 -0.151 0.000 1.135 373 G CA 0.786 45.901 45.100 0.025 0.000 0.767 373 G HN 0.387 nan 8.290 nan 0.000 0.550 374 N N 0.098 118.484 118.700 -0.524 0.000 2.338 374 N HA 0.124 4.864 4.740 -0.000 0.000 0.251 374 N C 1.324 176.691 175.510 -0.238 0.000 1.199 374 N CA -0.216 52.632 53.050 -0.337 0.000 0.879 374 N CB -0.338 37.890 38.487 -0.432 0.000 1.159 374 N HN 0.496 nan 8.380 nan 0.000 0.514 375 I N -4.416 116.038 120.570 -0.193 0.000 3.783 375 I HA 0.157 4.327 4.170 -0.000 0.000 0.310 375 I C 1.966 178.033 176.117 -0.083 0.000 1.274 375 I CA -0.015 61.203 61.300 -0.138 0.000 1.294 375 I CB 0.110 38.021 38.000 -0.148 0.000 1.051 375 I HN -0.009 nan 8.210 nan 0.000 0.435 376 Q N 2.807 122.575 119.800 -0.054 0.000 2.050 376 Q HA -0.090 4.250 4.340 -0.000 0.000 0.202 376 Q C -0.419 175.567 176.000 -0.023 0.000 0.980 376 Q CA 2.159 57.944 55.803 -0.030 0.000 0.840 376 Q CB -1.209 27.528 28.738 -0.001 0.000 0.898 376 Q HN 0.374 nan 8.270 nan 0.000 0.424 377 P HA -0.077 nan 4.420 nan 0.000 0.222 377 P C 1.548 178.838 177.300 -0.017 0.000 1.147 377 P CA 0.886 63.979 63.100 -0.011 0.000 0.790 377 P CB -0.046 31.650 31.700 -0.007 0.000 0.780 378 V N -0.016 119.878 119.914 -0.034 0.000 2.407 378 V HA -0.144 3.975 4.120 -0.000 0.000 0.245 378 V C 2.571 178.650 176.094 -0.026 0.000 1.041 378 V CA 1.328 63.608 62.300 -0.034 0.000 1.040 378 V CB -0.882 30.910 31.823 -0.052 0.000 0.671 378 V HN -0.011 nan 8.190 nan 0.000 0.455 379 I N 0.625 121.177 120.570 -0.029 0.000 2.546 379 I HA -0.142 4.028 4.170 -0.000 0.000 0.255 379 I C 2.882 178.992 176.117 -0.012 0.000 1.163 379 I CA 1.430 62.718 61.300 -0.021 0.000 1.457 379 I CB -0.632 37.350 38.000 -0.029 0.000 1.092 379 I HN 0.460 nan 8.210 nan 0.000 0.434 380 E N 1.369 121.562 120.200 -0.011 0.000 2.047 380 E HA -0.149 4.200 4.350 -0.000 0.000 0.191 380 E C 2.350 178.953 176.600 0.004 0.000 0.987 380 E CA 1.432 57.830 56.400 -0.003 0.000 0.799 380 E CB -0.846 28.854 29.700 -0.000 0.000 0.752 380 E HN 0.574 nan 8.360 nan 0.000 0.449 381 A N 0.071 122.893 122.820 0.004 0.000 1.873 381 A HA 0.127 4.447 4.320 -0.000 0.000 0.215 381 A C 2.381 179.965 177.584 -0.000 0.000 1.186 381 A CA 1.590 53.633 52.037 0.009 0.000 0.616 381 A CB -0.171 18.835 19.000 0.010 0.000 0.823 381 A HN 0.443 nan 8.150 nan 0.000 0.442 382 L N -1.918 119.301 121.223 -0.007 0.000 2.590 382 L HA 0.366 4.706 4.340 -0.000 0.000 0.227 382 L C 1.259 178.127 176.870 -0.003 0.000 1.099 382 L CA 0.253 55.086 54.840 -0.011 0.000 0.872 382 L CB -0.520 41.529 42.059 -0.017 0.000 1.088 382 L HN 0.650 nan 8.230 nan 0.000 0.479 383 G N 0.906 109.707 108.800 0.001 0.000 2.698 383 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.225 383 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.225 383 G C 0.478 175.388 174.900 0.018 0.000 1.345 383 G CA -0.025 45.079 45.100 0.007 0.000 0.871 383 G HN 0.182 nan 8.290 nan 0.000 0.540 384 T N -3.173 111.397 114.554 0.027 0.000 3.044 384 T HA 0.259 4.609 4.350 -0.000 0.000 0.250 384 T C 0.698 175.459 174.700 0.102 0.000 1.081 384 T CA 1.277 63.404 62.100 0.046 0.000 1.040 384 T CB 0.308 69.195 68.868 0.033 0.000 0.962 384 T HN 0.390 nan 8.240 nan 0.000 0.506 385 D N 2.705 123.166 120.400 0.102 0.000 2.688 385 D HA 0.365 5.005 4.640 -0.000 0.000 0.228 385 D C 0.082 176.568 176.300 0.309 0.000 1.116 385 D CA -0.152 53.955 54.000 0.179 0.000 1.023 385 D CB -0.347 40.456 40.800 0.005 0.000 1.100 385 D HN 0.728 nan 8.370 nan 0.000 0.487 386 I N -3.172 117.607 120.570 0.348 0.000 3.095 386 I HA 0.557 4.727 4.170 -0.000 0.000 0.310 386 I C -0.787 175.304 176.117 -0.044 0.000 1.196 386 I CA -1.263 60.164 61.300 0.213 0.000 0.985 386 I CB 2.050 40.091 38.000 0.069 0.000 1.250 386 I HN -0.370 nan 8.210 nan 0.000 0.446 387 V N 3.997 123.806 119.914 -0.175 0.000 2.435 387 V HA 0.477 4.597 4.120 -0.000 0.000 0.290 387 V C -0.093 175.968 176.094 -0.055 0.000 1.030 387 V CA -0.446 61.717 62.300 -0.229 0.000 0.881 387 V CB 1.534 33.169 31.823 -0.313 0.000 0.983 387 V HN 0.473 nan 8.190 nan 0.000 0.445 388 L N 4.544 125.789 121.223 0.037 0.000 2.307 388 L HA 0.574 4.914 4.340 -0.000 0.000 0.284 388 L C -0.158 176.805 176.870 0.153 0.000 1.023 388 L CA -0.247 54.630 54.840 0.063 0.000 0.810 388 L CB 1.628 43.719 42.059 0.054 0.000 1.231 388 L HN 0.520 nan 8.230 nan 0.000 0.423 389 Q N 4.116 123.982 119.800 0.109 0.000 2.341 389 Q HA 0.450 4.790 4.340 -0.000 0.000 0.268 389 Q C -1.772 174.281 176.000 0.088 0.000 1.013 389 Q CA -0.759 55.123 55.803 0.132 0.000 0.798 389 Q CB 1.893 30.742 28.738 0.186 0.000 1.253 389 Q HN 0.424 nan 8.270 nan 0.000 0.457 390 L N 3.808 125.096 121.223 0.109 0.000 2.345 390 L HA 0.501 4.841 4.340 -0.000 0.000 0.274 390 L C 0.887 177.785 176.870 0.047 0.000 0.999 390 L CA -0.100 54.780 54.840 0.067 0.000 0.849 390 L CB 1.772 43.871 42.059 0.066 0.000 1.220 390 L HN 0.784 nan 8.230 nan 0.000 0.422 391 G N 1.694 110.506 108.800 0.021 0.000 2.682 391 G HA2 0.109 4.069 3.960 -0.000 0.000 0.221 391 G HA3 0.109 4.069 3.960 -0.000 0.000 0.221 391 G C 1.275 176.181 174.900 0.010 0.000 1.386 391 G CA 0.562 45.676 45.100 0.022 0.000 0.909 391 G HN 0.699 nan 8.290 nan 0.000 0.558 392 G N 0.652 109.451 108.800 -0.002 0.000 2.469 392 G HA2 0.029 3.989 3.960 -0.000 0.000 0.220 392 G HA3 0.029 3.989 3.960 -0.000 0.000 0.220 392 G C 1.643 176.500 174.900 -0.072 0.000 1.136 392 G CA 1.424 46.522 45.100 -0.003 0.000 0.759 392 G HN 0.741 nan 8.290 nan 0.000 0.562 393 G N -0.944 107.730 108.800 -0.210 0.000 2.776 393 G HA2 0.180 4.140 3.960 -0.000 0.000 0.209 393 G HA3 0.180 4.140 3.960 -0.000 0.000 0.209 393 G C 1.413 176.238 174.900 -0.125 0.000 1.145 393 G CA 1.471 46.297 45.100 -0.458 0.000 0.791 393 G HN 0.413 nan 8.290 nan 0.000 0.530 394 T N 0.264 114.846 114.554 0.046 0.000 3.151 394 T HA 0.092 4.441 4.350 -0.000 0.000 0.239 394 T C 1.982 176.793 174.700 0.185 0.000 0.979 394 T CA -0.125 62.064 62.100 0.148 0.000 1.194 394 T CB -0.056 68.897 68.868 0.141 0.000 0.982 394 T HN 0.009 nan 8.240 nan 0.000 0.428 395 L N 1.735 123.031 121.223 0.122 0.000 2.265 395 L HA 0.182 4.522 4.340 -0.000 0.000 0.215 395 L C 2.332 179.306 176.870 0.174 0.000 1.117 395 L CA 1.314 56.217 54.840 0.104 0.000 0.782 395 L CB -1.051 41.038 42.059 0.049 0.000 0.914 395 L HN 0.413 nan 8.230 nan 0.000 0.441 396 G N -3.061 105.917 108.800 0.297 0.000 3.189 396 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.225 396 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.225 396 G C 0.588 175.708 174.900 0.366 0.000 1.159 396 G CA -0.302 45.019 45.100 0.368 0.000 0.763 396 G HN 0.317 nan 8.290 nan 0.000 0.549 397 H N 2.006 121.253 119.070 0.295 0.000 2.972 397 H HA 0.037 4.593 4.556 -0.000 0.000 0.343 397 H C -1.187 174.091 175.328 -0.084 0.000 1.054 397 H CA -0.913 55.173 56.048 0.063 0.000 1.412 397 H CB 1.920 31.753 29.762 0.118 0.000 1.385 397 H HN 0.029 nan 8.280 nan 0.000 0.600 398 P HA -0.058 nan 4.420 nan 0.000 0.226 398 P C 0.057 177.413 177.300 0.093 0.000 1.153 398 P CA 0.872 63.891 63.100 -0.136 0.000 0.777 398 P CB 0.511 32.021 31.700 -0.317 0.000 0.794 399 D N -0.377 120.275 120.400 0.421 0.000 2.424 399 D HA 0.326 4.966 4.640 -0.000 0.000 0.220 399 D C 1.111 177.443 176.300 0.054 0.000 1.150 399 D CA 0.375 54.480 54.000 0.175 0.000 0.831 399 D CB 0.483 41.363 40.800 0.133 0.000 0.981 399 D HN 0.142 nan 8.370 nan 0.000 0.500 400 G N 1.554 110.411 108.800 0.095 0.000 2.662 400 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.686 400 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.686 400 G C -2.262 172.627 174.900 -0.018 0.000 1.271 400 G CA -0.953 44.160 45.100 0.022 0.000 0.816 400 G HN -0.138 nan 8.290 nan 0.000 0.608 401 P HA -0.034 nan 4.420 nan 0.000 0.215 401 P C 2.287 179.548 177.300 -0.065 0.000 1.153 401 P CA 2.919 66.009 63.100 -0.018 0.000 0.853 401 P CB 0.002 31.680 31.700 -0.037 0.000 0.788 402 A N -0.114 122.651 122.820 -0.090 0.000 1.933 402 A HA -0.117 4.203 4.320 -0.000 0.000 0.218 402 A C 2.309 179.808 177.584 -0.141 0.000 1.175 402 A CA 2.119 54.091 52.037 -0.108 0.000 0.628 402 A CB -1.564 17.376 19.000 -0.099 0.000 0.814 402 A HN 0.206 nan 8.150 nan 0.000 0.444 403 A N -0.577 122.109 122.820 -0.224 0.000 1.929 403 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 403 A C 2.390 179.673 177.584 -0.502 0.000 1.176 403 A CA 1.671 53.471 52.037 -0.395 0.000 0.628 403 A CB -1.297 17.358 19.000 -0.575 0.000 0.816 403 A HN 0.707 nan 8.150 nan 0.000 0.444 404 G N -0.327 108.233 108.800 -0.400 0.000 2.442 404 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 404 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 404 G C 1.694 176.619 174.900 0.042 0.000 1.141 404 G CA 1.462 46.559 45.100 -0.006 0.000 0.763 404 G HN 0.750 nan 8.290 nan 0.000 0.554 405 A N 0.750 123.580 122.820 0.017 0.000 1.873 405 A HA 0.051 4.370 4.320 -0.000 0.000 0.215 405 A C 2.423 180.019 177.584 0.021 0.000 1.186 405 A CA 1.464 53.561 52.037 0.099 0.000 0.616 405 A CB -0.392 18.651 19.000 0.072 0.000 0.823 405 A HN 0.319 nan 8.150 nan 0.000 0.442 406 R N -0.507 119.975 120.500 -0.031 0.000 2.127 406 R HA -0.119 4.221 4.340 -0.000 0.000 0.238 406 R C 2.414 178.702 176.300 -0.021 0.000 1.134 406 R CA 1.145 57.228 56.100 -0.028 0.000 0.975 406 R CB -0.433 29.844 30.300 -0.038 0.000 0.865 406 R HN 0.537 nan 8.270 nan 0.000 0.447 407 A N 0.564 123.378 122.820 -0.010 0.000 1.873 407 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 407 A C 2.335 179.896 177.584 -0.040 0.000 1.186 407 A CA 1.299 53.364 52.037 0.045 0.000 0.616 407 A CB -0.466 18.647 19.000 0.190 0.000 0.823 407 A HN 0.110 nan 8.150 nan 0.000 0.442 408 V N 0.308 120.135 119.914 -0.144 0.000 2.343 408 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 408 V C 2.651 178.524 176.094 -0.368 0.000 1.051 408 V CA 1.951 64.028 62.300 -0.372 0.000 1.036 408 V CB -0.823 30.487 31.823 -0.855 0.000 0.654 408 V HN 0.436 nan 8.190 nan 0.000 0.451 409 R N -0.048 120.291 120.500 -0.268 0.000 2.152 409 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 409 R C 2.220 178.445 176.300 -0.124 0.000 1.117 409 R CA 1.170 57.179 56.100 -0.153 0.000 0.981 409 R CB -0.476 29.795 30.300 -0.047 0.000 0.870 409 R HN 0.651 nan 8.270 nan 0.000 0.451 410 Q N -0.267 119.473 119.800 -0.099 0.000 2.049 410 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 410 Q C 2.191 178.080 176.000 -0.186 0.000 0.971 410 Q CA 1.361 57.116 55.803 -0.081 0.000 0.833 410 Q CB -0.165 28.577 28.738 0.006 0.000 0.896 410 Q HN 0.304 nan 8.270 nan 0.000 0.434 411 A N 1.014 123.750 122.820 -0.141 0.000 1.917 411 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 411 A C 2.037 179.491 177.584 -0.216 0.000 1.182 411 A CA 1.368 53.309 52.037 -0.160 0.000 0.633 411 A CB -0.724 18.207 19.000 -0.114 0.000 0.819 411 A HN 0.322 nan 8.150 nan 0.000 0.448 412 I N -0.410 120.036 120.570 -0.207 0.000 2.202 412 I HA -0.216 3.953 4.170 -0.000 0.000 0.242 412 I C 1.993 177.991 176.117 -0.199 0.000 1.091 412 I CA 1.384 62.577 61.300 -0.178 0.000 1.368 412 I CB -0.435 37.475 38.000 -0.149 0.000 1.058 412 I HN 0.257 nan 8.210 nan 0.000 0.410 413 D N 1.179 121.438 120.400 -0.235 0.000 2.092 413 D HA -0.205 4.434 4.640 -0.000 0.000 0.193 413 D C 2.268 178.311 176.300 -0.427 0.000 0.994 413 D CA 1.753 55.594 54.000 -0.265 0.000 0.828 413 D CB -0.284 40.381 40.800 -0.224 0.000 0.963 413 D HN 0.351 nan 8.370 nan 0.000 0.450 414 A N 1.072 123.447 122.820 -0.741 0.000 1.884 414 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 414 A C 2.453 179.830 177.584 -0.345 0.000 1.197 414 A CA 1.497 53.053 52.037 -0.801 0.000 0.637 414 A CB -0.960 17.585 19.000 -0.758 0.000 0.827 414 A HN 0.253 nan 8.150 nan 0.000 0.450 415 I N -0.651 119.772 120.570 -0.244 0.000 2.286 415 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 415 I C 2.351 178.403 176.117 -0.107 0.000 1.115 415 I CA 1.140 62.357 61.300 -0.138 0.000 1.392 415 I CB -0.328 37.607 38.000 -0.109 0.000 1.065 415 I HN 0.284 nan 8.210 nan 0.000 0.418 416 M N -0.318 119.211 119.600 -0.118 0.000 2.374 416 M HA -0.159 4.321 4.480 -0.000 0.000 0.264 416 M C 1.834 178.095 176.300 -0.064 0.000 1.067 416 M CA 1.562 56.817 55.300 -0.076 0.000 1.103 416 M CB -0.926 31.634 32.600 -0.067 0.000 1.402 416 M HN 0.364 nan 8.290 nan 0.000 0.444 417 Q N -0.830 118.916 119.800 -0.090 0.000 2.319 417 Q HA 0.256 4.596 4.340 -0.000 0.000 0.209 417 Q C 0.907 176.886 176.000 -0.035 0.000 0.884 417 Q CA 0.366 56.137 55.803 -0.053 0.000 0.938 417 Q CB 0.629 29.337 28.738 -0.051 0.000 1.098 417 Q HN 0.667 nan 8.270 nan 0.000 0.517 418 G N 1.713 110.484 108.800 -0.048 0.000 2.160 418 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.244 418 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.244 418 G C -0.072 174.821 174.900 -0.012 0.000 1.022 418 G CA -0.098 44.986 45.100 -0.026 0.000 0.741 418 G HN 0.292 nan 8.290 nan 0.000 0.508 419 I N 1.138 121.692 120.570 -0.027 0.000 2.339 419 I HA 0.298 4.467 4.170 -0.000 0.000 0.290 419 I C -1.897 174.232 176.117 0.020 0.000 0.994 419 I CA -2.483 58.829 61.300 0.019 0.000 1.191 419 I CB 1.641 39.684 38.000 0.073 0.000 1.343 419 I HN -0.150 nan 8.210 nan 0.000 0.458 420 P HA 0.001 nan 4.420 nan 0.000 0.266 420 P C 0.634 177.995 177.300 0.102 0.000 1.195 420 P CA -0.291 62.844 63.100 0.060 0.000 0.768 420 P CB 0.621 32.356 31.700 0.058 0.000 0.838 421 L N 3.087 124.376 121.223 0.110 0.000 2.081 421 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 421 L C 2.566 179.543 176.870 0.179 0.000 1.080 421 L CA 2.739 57.665 54.840 0.143 0.000 0.754 421 L CB -1.827 40.322 42.059 0.149 0.000 0.893 421 L HN 0.550 nan 8.230 nan 0.000 0.433 422 D N -1.080 119.424 120.400 0.174 0.000 2.123 422 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 422 D C 2.038 178.414 176.300 0.127 0.000 0.992 422 D CA 1.834 55.923 54.000 0.148 0.000 0.833 422 D CB -0.494 40.383 40.800 0.128 0.000 0.954 422 D HN 0.548 nan 8.370 nan 0.000 0.455 423 E N -1.215 119.063 120.200 0.130 0.000 2.072 423 E HA -0.045 4.305 4.350 -0.000 0.000 0.190 423 E C 1.934 178.632 176.600 0.164 0.000 0.982 423 E CA 1.060 57.533 56.400 0.122 0.000 0.803 423 E CB -1.067 28.699 29.700 0.110 0.000 0.755 423 E HN 0.780 nan 8.360 nan 0.000 0.453 424 Y N 0.782 121.129 120.300 0.078 0.000 2.274 424 Y HA 0.084 4.634 4.550 -0.000 0.000 0.290 424 Y C 2.754 178.770 175.900 0.193 0.000 1.145 424 Y CA 1.285 59.456 58.100 0.120 0.000 1.203 424 Y CB -0.367 38.113 38.460 0.033 0.000 0.984 424 Y HN 0.300 nan 8.280 nan 0.000 0.533 425 A N -0.215 122.745 122.820 0.233 0.000 2.070 425 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 425 A C 2.147 179.781 177.584 0.083 0.000 1.159 425 A CA 1.558 53.694 52.037 0.164 0.000 0.656 425 A CB -0.505 18.574 19.000 0.132 0.000 0.800 425 A HN 0.486 nan 8.150 nan 0.000 0.453 426 K N -0.488 119.942 120.400 0.050 0.000 2.147 426 K HA -0.094 4.226 4.320 -0.000 0.000 0.205 426 K C 1.212 177.769 176.600 -0.072 0.000 1.049 426 K CA 1.633 57.918 56.287 -0.004 0.000 0.936 426 K CB -0.128 32.371 32.500 -0.001 0.000 0.722 426 K HN 0.661 nan 8.250 nan 0.000 0.446 427 T N -2.216 112.249 114.554 -0.149 0.000 3.248 427 T HA 0.191 4.541 4.350 -0.000 0.000 0.271 427 T C -0.571 173.714 174.700 -0.692 0.000 1.005 427 T CA -0.635 61.247 62.100 -0.364 0.000 0.902 427 T CB -0.152 68.458 68.868 -0.431 0.000 1.102 427 T HN 0.061 nan 8.240 nan 0.000 0.548 428 H N -0.512 118.478 119.070 -0.133 0.000 3.275 428 H HA 0.531 5.087 4.556 -0.000 0.000 0.326 428 H C 0.991 176.311 175.328 -0.014 0.000 1.096 428 H CA -0.421 55.577 56.048 -0.083 0.000 1.579 428 H CB 1.283 30.988 29.762 -0.096 0.000 1.834 428 H HN 0.101 nan 8.280 nan 0.000 0.510 429 K N 2.083 122.523 120.400 0.067 0.000 2.025 429 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 429 K C 1.666 178.330 176.600 0.106 0.000 1.049 429 K CA 1.878 58.198 56.287 0.055 0.000 0.933 429 K CB -0.279 32.233 32.500 0.020 0.000 0.714 429 K HN 0.600 nan 8.250 nan 0.000 0.438 430 E N 0.526 120.804 120.200 0.130 0.000 2.058 430 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 430 E C 1.989 178.760 176.600 0.285 0.000 0.997 430 E CA 1.289 57.823 56.400 0.224 0.000 0.801 430 E CB -0.364 29.378 29.700 0.070 0.000 0.746 430 E HN 0.361 nan 8.360 nan 0.000 0.450 431 L N 0.721 122.056 121.223 0.188 0.000 2.012 431 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 431 L C 2.101 179.038 176.870 0.112 0.000 1.073 431 L CA 2.218 57.152 54.840 0.157 0.000 0.748 431 L CB -1.027 41.133 42.059 0.168 0.000 0.891 431 L HN 0.135 nan 8.230 nan 0.000 0.431 432 A N -0.580 122.298 122.820 0.097 0.000 1.883 432 A HA -0.203 4.116 4.320 -0.000 0.000 0.217 432 A C 2.333 179.909 177.584 -0.013 0.000 1.186 432 A CA 1.615 53.679 52.037 0.045 0.000 0.624 432 A CB -0.546 18.476 19.000 0.037 0.000 0.822 432 A HN 0.444 nan 8.150 nan 0.000 0.444 433 R N -0.400 120.091 120.500 -0.014 0.000 2.152 433 R HA -0.058 4.282 4.340 -0.000 0.000 0.232 433 R C 2.354 178.448 176.300 -0.344 0.000 1.117 433 R CA 1.261 57.277 56.100 -0.141 0.000 0.981 433 R CB -0.944 29.321 30.300 -0.058 0.000 0.870 433 R HN 0.562 nan 8.270 nan 0.000 0.451 434 A N 1.323 124.002 122.820 -0.233 0.000 1.855 434 A HA -0.080 4.239 4.320 -0.000 0.000 0.215 434 A C 2.346 179.858 177.584 -0.119 0.000 1.191 434 A CA 0.880 52.797 52.037 -0.201 0.000 0.613 434 A CB -0.623 18.470 19.000 0.154 0.000 0.829 434 A HN 0.172 nan 8.150 nan 0.000 0.442 435 L N -0.490 120.706 121.223 -0.045 0.000 2.081 435 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 435 L C 2.678 179.487 176.870 -0.103 0.000 1.080 435 L CA 1.988 56.791 54.840 -0.061 0.000 0.754 435 L CB -0.587 41.453 42.059 -0.031 0.000 0.893 435 L HN 0.660 nan 8.230 nan 0.000 0.433 436 E N 0.797 120.910 120.200 -0.145 0.000 2.051 436 E HA -0.292 4.057 4.350 -0.000 0.000 0.192 436 E C 2.251 178.701 176.600 -0.251 0.000 0.991 436 E CA 1.564 57.866 56.400 -0.164 0.000 0.799 436 E CB 0.071 29.673 29.700 -0.164 0.000 0.748 436 E HN 0.352 nan 8.360 nan 0.000 0.449 437 K N -0.688 119.445 120.400 -0.444 0.000 2.031 437 K HA -0.118 4.202 4.320 -0.000 0.000 0.205 437 K C 1.597 177.850 176.600 -0.579 0.000 1.049 437 K CA 1.510 57.399 56.287 -0.663 0.000 0.939 437 K CB 0.003 31.793 32.500 -1.184 0.000 0.717 437 K HN 0.279 nan 8.250 nan 0.000 0.438 438 W N 0.228 121.363 121.300 -0.275 0.000 2.901 438 W HA 0.286 4.946 4.660 -0.000 0.000 0.281 438 W C 1.177 177.523 176.519 -0.288 0.000 1.167 438 W CA 0.519 57.623 57.345 -0.401 0.000 1.506 438 W CB -0.412 28.513 29.460 -0.891 0.000 0.985 438 W HN 0.448 nan 8.180 nan 0.000 0.590 439 G N 1.705 110.498 108.800 -0.012 0.000 2.583 439 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.292 439 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.292 439 G C -0.065 174.815 174.900 -0.033 0.000 1.203 439 G CA 1.192 46.294 45.100 0.003 0.000 0.987 439 G HN 0.452 nan 8.290 nan 0.000 0.554 440 H N -0.659 118.529 119.070 0.197 0.000 2.467 440 H HA 0.544 5.100 4.556 -0.000 0.000 0.275 440 H C 0.680 176.132 175.328 0.207 0.000 1.131 440 H CA -0.011 56.165 56.048 0.214 0.000 0.989 440 H CB 0.433 30.261 29.762 0.111 0.000 1.696 440 H HN 0.379 nan 8.280 nan 0.000 0.574 441 V N 0.876 120.988 119.914 0.330 0.000 3.003 441 V HA 0.098 4.218 4.120 -0.000 0.000 0.305 441 V C 0.769 177.017 176.094 0.256 0.000 1.078 441 V CA -0.027 62.421 62.300 0.246 0.000 1.083 441 V CB 1.594 33.523 31.823 0.176 0.000 1.039 441 V HN 0.331 nan 8.190 nan 0.000 0.481 442 T N 5.250 119.890 114.554 0.144 0.000 2.874 442 T HA 0.360 4.710 4.350 -0.000 0.000 0.321 442 T C -2.345 172.402 174.700 0.077 0.000 1.075 442 T CA -0.780 61.374 62.100 0.091 0.000 0.966 442 T CB 0.971 69.874 68.868 0.058 0.000 1.001 442 T HN 0.569 nan 8.240 nan 0.000 0.476 443 P HA 0.383 nan 4.420 nan 0.000 0.268 443 P C -0.678 176.648 177.300 0.042 0.000 1.205 443 P CA -0.221 62.911 63.100 0.054 0.000 0.771 443 P CB 0.898 32.619 31.700 0.035 0.000 0.858 444 V N 0.000 119.939 119.914 0.042 0.000 2.409 444 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 444 V CA 0.000 62.322 62.300 0.036 0.000 1.235 444 V CB 0.000 31.845 31.823 0.036 0.000 1.184 444 V HN 0.000 nan 8.190 nan 0.000 0.556