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 1si8_1_C DATA FIRST_RESID 4 DATA SEQUENCE QHLTTSQGSP VGDNQNSLTA GEFGPVLIQD VHLLEKLAHF NRERVPERVV DATA SEQUENCE HAKGAGAHGI FKVSQSMAQY TKADFLSEVG KETPLFARFS TVAGELGSSD DATA SEQUENCE TLRDPRGFAL KFYTDEGNYD LVGNNTPIFF IRDAIKFPDF IHSQKRNPRT DATA SEQUENCE HLKSPEAVWD FWSHSPESLH QVTILMSDRG IPLSFRHMHG FGSHTFKWVN DATA SEQUENCE AAGEVFFVKY HFKTNQGIKN LESQLAEEIA GKNPDFHIED LHNAIENQEF DATA SEQUENCE PSWTLSVQII PYADALTMKE TLFDVTKTVS QKEYPLIEVG TMTLNRNPEN DATA SEQUENCE YFAEVEQVTF SPGNFVPGIE ASPDKLLQGR LFAYGDAHRH RVGANSHQLP DATA SEQUENCE INQAKAPVNN YQKDGNMRFN NGNSEINYEP NSYTETPKED PTAKISSFEV DATA SEQUENCE EGNVGNYSYN QDHFTQANAL YNLLPSEEKE NLINNIAASL GQVKNQEIIA DATA SEQUENCE RQIDLFTRVN PEYGARVAQA IKQQ 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 4 Q HA 0.000 nan 4.340 nan 0.000 0.214 4 Q C 0.000 175.939 176.000 -0.101 0.000 1.003 4 Q CA 0.000 55.740 55.803 -0.105 0.000 1.022 4 Q CB 0.000 28.636 28.738 -0.171 0.000 1.108 5 H N 1.132 120.187 119.070 -0.024 0.000 2.489 5 H HA 0.304 4.860 4.556 0.000 0.000 0.322 5 H C -0.532 174.771 175.328 -0.041 0.000 1.091 5 H CA -0.551 55.477 56.048 -0.033 0.000 1.291 5 H CB 1.378 31.120 29.762 -0.034 0.000 1.436 5 H HN 0.050 nan 8.280 nan 0.000 0.480 6 L N 3.792 125.071 121.223 0.092 0.000 2.455 6 L HA 0.183 4.523 4.340 0.000 0.000 0.272 6 L C 0.488 177.327 176.870 -0.052 0.000 1.174 6 L CA 0.291 55.133 54.840 0.003 0.000 0.869 6 L CB 0.297 42.342 42.059 -0.023 0.000 1.130 6 L HN 0.809 nan 8.230 nan 0.000 0.474 7 T N 0.387 114.906 114.554 -0.057 0.000 2.864 7 T HA 0.732 5.083 4.350 0.000 0.000 0.289 7 T C 0.183 174.833 174.700 -0.083 0.000 1.082 7 T CA -0.147 61.904 62.100 -0.082 0.000 1.009 7 T CB 1.182 70.029 68.868 -0.034 0.000 1.234 7 T HN 0.780 nan 8.240 nan 0.000 0.526 8 T N -1.124 113.392 114.554 -0.064 0.000 2.814 8 T HA 0.350 4.700 4.350 0.000 0.000 0.284 8 T C 1.694 176.403 174.700 0.015 0.000 0.998 8 T CA 0.026 62.138 62.100 0.020 0.000 0.935 8 T CB 0.328 69.219 68.868 0.039 0.000 1.167 8 T HN 1.016 nan 8.240 nan 0.000 0.545 9 S N -0.618 115.098 115.700 0.027 0.000 2.515 9 S HA -0.060 4.410 4.470 0.000 0.000 0.231 9 S C 1.357 175.962 174.600 0.008 0.000 0.987 9 S CA 0.215 58.417 58.200 0.003 0.000 0.936 9 S CB -0.413 62.790 63.200 0.005 0.000 0.766 9 S HN 0.628 nan 8.310 nan 0.000 0.528 10 Q N 0.377 120.183 119.800 0.010 0.000 2.220 10 Q HA 0.306 4.646 4.340 0.000 0.000 0.205 10 Q C 1.213 177.211 176.000 -0.002 0.000 0.865 10 Q CA 0.495 56.301 55.803 0.005 0.000 0.960 10 Q CB 0.411 29.153 28.738 0.007 0.000 1.097 10 Q HN 0.756 nan 8.270 nan 0.000 0.493 11 G N 1.180 109.977 108.800 -0.006 0.000 2.159 11 G HA2 -0.265 3.696 3.960 0.000 0.000 0.256 11 G HA3 -0.265 3.696 3.960 0.000 0.000 0.256 11 G C 0.299 175.186 174.900 -0.022 0.000 0.977 11 G CA 0.640 45.733 45.100 -0.011 0.000 0.652 11 G HN 0.334 nan 8.290 nan 0.000 0.531 12 S N 2.107 117.789 115.700 -0.031 0.000 2.545 12 S HA 0.601 5.071 4.470 0.000 0.000 0.275 12 S C -1.564 172.987 174.600 -0.081 0.000 1.299 12 S CA -0.867 57.305 58.200 -0.048 0.000 1.048 12 S CB 1.233 64.409 63.200 -0.040 0.000 0.938 12 S HN 0.303 nan 8.310 nan 0.000 0.496 13 P HA 0.083 nan 4.420 nan 0.000 0.269 13 P C -0.872 176.321 177.300 -0.179 0.000 1.209 13 P CA -0.275 62.738 63.100 -0.145 0.000 0.776 13 P CB 0.476 32.059 31.700 -0.194 0.000 0.876 14 V N 3.274 123.057 119.914 -0.218 0.000 2.383 14 V HA 0.272 4.392 4.120 0.000 0.000 0.275 14 V C 1.752 177.741 176.094 -0.174 0.000 1.036 14 V CA 0.508 62.641 62.300 -0.278 0.000 0.889 14 V CB 0.700 32.245 31.823 -0.464 0.000 0.985 14 V HN 0.822 nan 8.190 nan 0.000 0.459 15 G N 2.969 111.691 108.800 -0.132 0.000 2.396 15 G HA2 -0.046 3.914 3.960 0.000 0.000 0.214 15 G HA3 -0.046 3.914 3.960 0.000 0.000 0.214 15 G C 0.299 175.163 174.900 -0.059 0.000 1.166 15 G CA 0.443 45.489 45.100 -0.090 0.000 0.793 15 G HN 0.625 nan 8.290 nan 0.000 0.533 16 D N -0.903 119.472 120.400 -0.041 0.000 2.575 16 D HA 0.192 4.832 4.640 0.000 0.000 0.250 16 D C -0.620 175.691 176.300 0.018 0.000 1.279 16 D CA -0.648 53.343 54.000 -0.014 0.000 0.925 16 D CB 1.314 42.108 40.800 -0.010 0.000 1.261 16 D HN -0.048 nan 8.370 nan 0.000 0.567 17 N N 2.025 120.737 118.700 0.020 0.000 2.235 17 N HA 0.036 4.776 4.740 0.000 0.000 0.209 17 N C 0.499 176.029 175.510 0.032 0.000 1.122 17 N CA 0.294 53.379 53.050 0.059 0.000 0.845 17 N CB 0.434 38.952 38.487 0.052 0.000 1.004 17 N HN 0.299 nan 8.380 nan 0.000 0.499 18 Q N -1.148 118.661 119.800 0.014 0.000 2.369 18 Q HA 0.294 4.634 4.340 0.000 0.000 0.254 18 Q C -0.533 175.463 176.000 -0.006 0.000 0.858 18 Q CA 0.382 56.185 55.803 -0.001 0.000 0.961 18 Q CB 0.517 29.252 28.738 -0.005 0.000 1.119 18 Q HN 0.224 nan 8.270 nan 0.000 0.538 19 N N 0.812 119.509 118.700 -0.004 0.000 2.258 19 N HA 0.333 5.073 4.740 0.000 0.000 0.299 19 N C -0.901 174.606 175.510 -0.006 0.000 1.047 19 N CA -0.183 52.859 53.050 -0.012 0.000 0.814 19 N CB 2.104 40.577 38.487 -0.024 0.000 1.413 19 N HN -0.143 nan 8.380 nan 0.000 0.478 20 S N 0.952 116.645 115.700 -0.010 0.000 2.592 20 S HA 0.290 4.761 4.470 0.000 0.000 0.271 20 S C 0.738 175.332 174.600 -0.010 0.000 1.326 20 S CA -0.623 57.573 58.200 -0.006 0.000 1.024 20 S CB 0.718 63.912 63.200 -0.011 0.000 0.921 20 S HN 0.309 nan 8.310 nan 0.000 0.527 21 L N 2.195 123.415 121.223 -0.004 0.000 2.455 21 L HA 0.223 4.563 4.340 0.000 0.000 0.272 21 L C 0.582 177.444 176.870 -0.012 0.000 1.174 21 L CA 0.340 55.175 54.840 -0.009 0.000 0.869 21 L CB 0.693 42.751 42.059 -0.002 0.000 1.130 21 L HN 0.578 nan 8.230 nan 0.000 0.474 22 T N 2.454 116.995 114.554 -0.021 0.000 2.909 22 T HA 0.521 4.871 4.350 0.000 0.000 0.299 22 T C -0.349 174.339 174.700 -0.020 0.000 1.073 22 T CA -0.518 61.569 62.100 -0.020 0.000 0.999 22 T CB 1.613 70.461 68.868 -0.034 0.000 1.098 22 T HN 0.593 nan 8.240 nan 0.000 0.477 23 A N 2.500 125.315 122.820 -0.009 0.000 2.990 23 A HA 0.641 4.961 4.320 0.000 0.000 0.282 23 A C 0.925 178.506 177.584 -0.006 0.000 1.688 23 A CA 0.419 52.453 52.037 -0.005 0.000 1.391 23 A CB -1.390 17.613 19.000 0.004 0.000 1.112 23 A HN 1.649 nan 8.150 nan 0.000 0.588 24 G N 0.656 109.441 108.800 -0.024 0.000 2.675 24 G HA2 -0.135 3.825 3.960 0.000 0.000 0.686 24 G HA3 -0.135 3.825 3.960 0.000 0.000 0.686 24 G C 0.401 175.249 174.900 -0.087 0.000 1.215 24 G CA 0.080 45.159 45.100 -0.035 0.000 0.777 24 G HN 0.719 nan 8.290 nan 0.000 0.638 25 E N -0.133 119.965 120.200 -0.169 0.000 2.108 25 E HA -0.198 4.152 4.350 0.000 0.000 0.203 25 E C 1.384 177.654 176.600 -0.550 0.000 1.022 25 E CA 2.112 58.267 56.400 -0.409 0.000 0.823 25 E CB -0.111 29.236 29.700 -0.588 0.000 0.744 25 E HN 0.538 nan 8.360 nan 0.000 0.456 26 F N -0.218 119.731 119.950 -0.002 0.000 2.708 26 F HA 0.338 4.865 4.527 -0.000 0.000 0.300 26 F C 0.859 176.657 175.800 -0.002 0.000 1.118 26 F CA -0.382 57.617 58.000 -0.002 0.000 1.307 26 F CB 1.045 40.043 39.000 -0.002 0.000 0.986 26 F HN -0.019 nan 8.300 nan 0.000 0.522 27 G N 1.102 109.954 108.800 0.088 0.000 2.547 27 G HA2 0.415 4.376 3.960 0.000 0.000 0.291 27 G HA3 0.415 4.376 3.960 0.000 0.000 0.291 27 G C -2.422 172.505 174.900 0.044 0.000 1.211 27 G CA -1.317 43.821 45.100 0.063 0.000 0.950 27 G HN -0.135 nan 8.290 nan 0.000 0.504 28 P HA 0.150 nan 4.420 nan 0.000 0.272 28 P C -0.076 177.232 177.300 0.013 0.000 1.230 28 P CA -0.269 62.846 63.100 0.024 0.000 0.788 28 P CB 1.099 32.812 31.700 0.021 0.000 0.949 29 V N 2.841 122.761 119.914 0.010 0.000 2.715 29 V HA 0.053 4.174 4.120 0.000 0.000 0.299 29 V C 0.901 176.997 176.094 0.003 0.000 1.054 29 V CA -0.150 62.152 62.300 0.004 0.000 1.077 29 V CB 0.176 32.000 31.823 0.002 0.000 0.972 29 V HN 0.318 nan 8.190 nan 0.000 0.484 30 L N 4.948 126.172 121.223 0.001 0.000 2.334 30 L HA 0.414 4.755 4.340 0.000 0.000 0.277 30 L C 1.302 178.174 176.870 0.003 0.000 1.075 30 L CA -0.273 54.568 54.840 0.002 0.000 0.804 30 L CB 1.145 43.205 42.059 0.001 0.000 1.174 30 L HN 0.604 nan 8.230 nan 0.000 0.438 31 I N 1.802 122.375 120.570 0.004 0.000 2.614 31 I HA -0.251 3.920 4.170 0.000 0.000 0.258 31 I C 2.166 178.287 176.117 0.006 0.000 1.189 31 I CA 0.985 62.288 61.300 0.005 0.000 1.462 31 I CB 0.137 38.140 38.000 0.005 0.000 1.092 31 I HN 0.840 nan 8.210 nan 0.000 0.442 32 Q N -0.554 119.250 119.800 0.006 0.000 2.482 32 Q HA -0.114 4.226 4.340 0.000 0.000 0.209 32 Q C 0.415 176.423 176.000 0.013 0.000 0.961 32 Q CA 0.299 56.107 55.803 0.008 0.000 0.945 32 Q CB -0.340 28.402 28.738 0.005 0.000 1.012 32 Q HN 0.262 nan 8.270 nan 0.000 0.515 33 D N 1.905 122.313 120.400 0.014 0.000 2.551 33 D HA 0.004 4.644 4.640 0.000 0.000 0.223 33 D C 1.315 177.633 176.300 0.030 0.000 1.144 33 D CA -0.164 53.850 54.000 0.024 0.000 1.025 33 D CB 0.999 41.808 40.800 0.016 0.000 1.085 33 D HN 0.221 nan 8.370 nan 0.000 0.506 34 V N 1.196 121.134 119.914 0.040 0.000 2.469 34 V HA -0.226 3.894 4.120 0.000 0.000 0.251 34 V C 2.207 178.341 176.094 0.066 0.000 1.064 34 V CA 1.536 63.862 62.300 0.044 0.000 1.066 34 V CB -0.877 30.971 31.823 0.042 0.000 0.667 34 V HN 0.596 nan 8.190 nan 0.000 0.461 35 H N 0.074 119.141 119.070 -0.004 0.000 2.389 35 H HA -0.111 4.445 4.556 0.000 0.000 0.299 35 H C 2.221 177.548 175.328 -0.001 0.000 1.081 35 H CA 1.994 58.040 56.048 -0.004 0.000 1.345 35 H CB 0.240 29.994 29.762 -0.013 0.000 1.393 35 H HN 0.487 nan 8.280 nan 0.000 0.520 36 L N 0.888 122.034 121.223 -0.128 0.000 1.989 36 L HA -0.185 4.155 4.340 0.000 0.000 0.211 36 L C 2.232 179.019 176.870 -0.138 0.000 1.071 36 L CA 1.271 56.009 54.840 -0.169 0.000 0.749 36 L CB -0.973 41.050 42.059 -0.060 0.000 0.890 36 L HN 0.185 nan 8.230 nan 0.000 0.431 37 L N 0.108 121.292 121.223 -0.066 0.000 1.989 37 L HA -0.249 4.091 4.340 0.000 0.000 0.211 37 L C 2.692 179.544 176.870 -0.030 0.000 1.071 37 L CA 2.247 57.068 54.840 -0.031 0.000 0.749 37 L CB -1.332 40.723 42.059 -0.006 0.000 0.890 37 L HN 0.576 nan 8.230 nan 0.000 0.431 38 E N -0.369 119.809 120.200 -0.036 0.000 2.058 38 E HA -0.293 4.057 4.350 0.000 0.000 0.194 38 E C 2.308 178.900 176.600 -0.013 0.000 0.997 38 E CA 1.545 57.944 56.400 -0.002 0.000 0.801 38 E CB -0.067 29.651 29.700 0.030 0.000 0.746 38 E HN 0.389 nan 8.360 nan 0.000 0.450 39 K N -0.139 120.166 120.400 -0.159 0.000 2.063 39 K HA -0.178 4.142 4.320 0.000 0.000 0.208 39 K C 2.182 178.783 176.600 0.001 0.000 1.048 39 K CA 1.155 57.356 56.287 -0.144 0.000 0.928 39 K CB -0.038 32.226 32.500 -0.394 0.000 0.713 39 K HN 0.118 nan 8.250 nan 0.000 0.442 40 L N 0.711 121.923 121.223 -0.019 0.000 2.056 40 L HA -0.052 4.288 4.340 0.000 0.000 0.207 40 L C 2.374 179.332 176.870 0.148 0.000 1.078 40 L CA 1.882 56.764 54.840 0.070 0.000 0.749 40 L CB -0.964 41.106 42.059 0.019 0.000 0.901 40 L HN 0.229 nan 8.230 nan 0.000 0.433 41 A N -1.760 121.111 122.820 0.085 0.000 1.902 41 A HA -0.260 4.060 4.320 0.000 0.000 0.217 41 A C 2.377 180.000 177.584 0.065 0.000 1.181 41 A CA 1.637 53.713 52.037 0.065 0.000 0.623 41 A CB -0.830 18.195 19.000 0.043 0.000 0.818 41 A HN 0.555 nan 8.150 nan 0.000 0.443 42 H N -1.726 117.366 119.070 0.037 0.000 2.395 42 H HA -0.114 4.442 4.556 0.000 0.000 0.299 42 H C 1.876 177.227 175.328 0.038 0.000 1.070 42 H CA 1.792 57.855 56.048 0.024 0.000 1.356 42 H CB -0.302 29.474 29.762 0.025 0.000 1.401 42 H HN 0.493 nan 8.280 nan 0.000 0.524 43 F N 2.155 122.141 119.950 0.060 0.000 2.134 43 F HA -0.186 4.342 4.527 0.001 0.000 0.299 43 F C 2.002 177.769 175.800 -0.055 0.000 1.097 43 F CA 1.340 59.346 58.000 0.010 0.000 1.264 43 F CB -0.485 38.518 39.000 0.005 0.000 1.001 43 F HN 0.054 nan 8.300 nan 0.000 0.479 44 N N 0.671 119.294 118.700 -0.128 0.000 2.443 44 N HA -0.112 4.629 4.740 0.000 0.000 0.184 44 N C 1.129 176.483 175.510 -0.260 0.000 1.037 44 N CA 0.958 53.870 53.050 -0.231 0.000 0.896 44 N CB -0.287 38.166 38.487 -0.056 0.000 0.959 44 N HN 0.433 nan 8.380 nan 0.000 0.442 45 R N 0.107 120.444 120.500 -0.271 0.000 2.507 45 R HA 0.207 4.547 4.340 0.000 0.000 0.298 45 R C 0.931 177.042 176.300 -0.314 0.000 0.999 45 R CA -0.098 55.842 56.100 -0.267 0.000 1.082 45 R CB 0.435 30.585 30.300 -0.249 0.000 1.246 45 R HN 0.268 nan 8.270 nan 0.000 0.553 46 E N 0.853 120.840 120.200 -0.355 0.000 2.150 46 E HA -0.062 4.288 4.350 0.000 0.000 0.193 46 E C 0.224 176.674 176.600 -0.249 0.000 0.985 46 E CA 0.794 56.990 56.400 -0.340 0.000 0.814 46 E CB 0.272 29.777 29.700 -0.324 0.000 0.752 46 E HN 0.117 nan 8.360 nan 0.000 0.466 47 R N 1.244 121.635 120.500 -0.182 0.000 2.390 47 R HA 0.201 4.541 4.340 0.000 0.000 0.291 47 R C 0.170 176.464 176.300 -0.009 0.000 1.070 47 R CA -0.145 55.917 56.100 -0.064 0.000 1.014 47 R CB 1.012 31.268 30.300 -0.075 0.000 1.007 47 R HN -0.053 nan 8.270 nan 0.000 0.466 48 V N -0.637 119.324 119.914 0.078 0.000 3.046 48 V HA 0.622 4.742 4.120 0.000 0.000 0.316 48 V C -2.188 173.926 176.094 0.033 0.000 1.104 48 V CA -2.378 59.955 62.300 0.055 0.000 1.006 48 V CB 1.674 33.564 31.823 0.113 0.000 1.058 48 V HN 0.622 nan 8.190 nan 0.000 0.440 49 P HA 0.224 nan 4.420 nan 0.000 0.271 49 P C -0.278 177.044 177.300 0.036 0.000 1.216 49 P CA -0.014 63.095 63.100 0.016 0.000 0.771 49 P CB 0.533 32.234 31.700 0.001 0.000 0.864 50 E N 3.032 123.268 120.200 0.060 0.000 2.371 50 E HA 0.196 4.546 4.350 0.000 0.000 0.257 50 E C -0.329 176.315 176.600 0.073 0.000 1.134 50 E CA -0.889 55.552 56.400 0.068 0.000 0.919 50 E CB 0.624 30.371 29.700 0.078 0.000 1.025 50 E HN 0.287 nan 8.360 nan 0.000 0.438 51 R N 0.576 121.123 120.500 0.078 0.000 2.623 51 R HA -0.026 4.314 4.340 0.000 0.000 0.271 51 R C 1.068 177.423 176.300 0.092 0.000 1.043 51 R CA 0.004 56.158 56.100 0.089 0.000 1.083 51 R CB 0.722 31.090 30.300 0.113 0.000 0.974 51 R HN 0.538 nan 8.270 nan 0.000 0.436 52 V N 3.774 123.740 119.914 0.087 0.000 2.568 52 V HA -0.128 3.992 4.120 0.000 0.000 0.253 52 V C 0.519 176.662 176.094 0.080 0.000 1.072 52 V CA 1.800 64.146 62.300 0.077 0.000 1.084 52 V CB 0.130 31.995 31.823 0.069 0.000 0.676 52 V HN 0.541 nan 8.190 nan 0.000 0.469 53 V N -4.561 115.433 119.914 0.133 0.000 3.114 53 V HA 0.581 4.701 4.120 0.000 0.000 0.308 53 V C 0.132 176.377 176.094 0.252 0.000 1.168 53 V CA -0.668 61.725 62.300 0.155 0.000 1.015 53 V CB 1.505 33.499 31.823 0.284 0.000 1.050 53 V HN 0.416 nan 8.190 nan 0.000 0.433 54 H N 0.367 119.509 119.070 0.120 0.000 2.862 54 H HA -0.216 4.340 4.556 0.000 0.000 0.290 54 H C 1.507 176.897 175.328 0.104 0.000 1.211 54 H CA 0.868 56.989 56.048 0.121 0.000 1.140 54 H CB -1.202 28.630 29.762 0.115 0.000 1.341 54 H HN 1.234 nan 8.280 nan 0.000 0.392 55 A N 0.521 123.435 122.820 0.157 0.000 1.933 55 A HA -0.108 4.212 4.320 0.000 0.000 0.218 55 A C 1.603 179.284 177.584 0.163 0.000 1.175 55 A CA 1.499 53.619 52.037 0.139 0.000 0.628 55 A CB 0.012 19.073 19.000 0.101 0.000 0.814 55 A HN 0.184 nan 8.150 nan 0.000 0.444 56 K N 0.624 121.125 120.400 0.167 0.000 2.273 56 K HA 0.495 4.815 4.320 0.000 0.000 0.287 56 K C -0.026 176.729 176.600 0.258 0.000 1.089 56 K CA 0.610 57.019 56.287 0.203 0.000 0.909 56 K CB 0.135 32.741 32.500 0.176 0.000 1.123 56 K HN 0.328 nan 8.250 nan 0.000 0.473 57 G N 1.206 110.179 108.800 0.289 0.000 2.727 57 G HA2 0.800 4.760 3.960 0.000 0.000 0.289 57 G HA3 0.800 4.760 3.960 0.000 0.000 0.289 57 G C -1.667 173.444 174.900 0.351 0.000 1.418 57 G CA -0.527 44.732 45.100 0.265 0.000 0.818 57 G HN 0.667 nan 8.290 nan 0.000 0.486 58 A N -1.387 121.569 122.820 0.226 0.000 2.498 58 A HA 0.988 5.308 4.320 0.000 0.000 0.298 58 A C -0.053 177.527 177.584 -0.006 0.000 1.075 58 A CA -0.013 52.199 52.037 0.291 0.000 0.714 58 A CB 1.891 21.169 19.000 0.463 0.000 1.299 58 A HN 1.968 nan 8.150 nan 0.000 0.407 59 G N -0.972 107.813 108.800 -0.025 0.000 2.680 59 G HA2 0.928 4.888 3.960 0.000 0.000 0.290 59 G HA3 0.928 4.888 3.960 0.000 0.000 0.290 59 G C -0.788 173.928 174.900 -0.307 0.000 1.355 59 G CA -0.109 44.762 45.100 -0.382 0.000 0.903 59 G HN 2.078 nan 8.290 nan 0.000 0.474 60 A N 0.087 122.489 122.820 -0.698 0.000 2.594 60 A HA 0.692 5.012 4.320 0.000 0.000 0.296 60 A C -1.197 176.113 177.584 -0.456 0.000 1.061 60 A CA -0.750 51.090 52.037 -0.329 0.000 0.689 60 A CB 0.968 19.901 19.000 -0.111 0.000 1.280 60 A HN 0.737 nan 8.150 nan 0.000 0.406 61 H N -0.053 119.032 119.070 0.024 0.000 2.482 61 H HA 0.718 5.274 4.556 0.000 0.000 0.344 61 H C 0.655 175.963 175.328 -0.033 0.000 1.151 61 H CA 0.897 57.003 56.048 0.096 0.000 1.300 61 H CB 1.890 31.724 29.762 0.120 0.000 1.494 61 H HN 1.170 nan 8.280 nan 0.000 0.542 62 G N 0.351 109.218 108.800 0.112 0.000 2.578 62 G HA2 0.476 4.436 3.960 0.000 0.000 0.302 62 G HA3 0.476 4.436 3.960 0.000 0.000 0.302 62 G C -1.267 173.684 174.900 0.084 0.000 1.243 62 G CA -0.469 44.654 45.100 0.038 0.000 0.843 62 G HN 0.654 nan 8.290 nan 0.000 0.486 63 I N -3.252 117.384 120.570 0.111 0.000 3.006 63 I HA 0.867 5.037 4.170 0.000 0.000 0.306 63 I C -1.999 174.297 176.117 0.298 0.000 1.250 63 I CA -1.225 60.185 61.300 0.183 0.000 0.996 63 I CB 2.740 40.816 38.000 0.128 0.000 1.261 63 I HN 0.489 nan 8.210 nan 0.000 0.442 64 F N 3.244 123.348 119.950 0.256 0.000 2.507 64 F HA 0.640 5.168 4.527 0.000 0.000 0.325 64 F C -0.797 175.178 175.800 0.291 0.000 1.116 64 F CA -0.500 57.715 58.000 0.358 0.000 0.930 64 F CB 1.698 41.073 39.000 0.625 0.000 1.146 64 F HN 0.588 nan 8.300 nan 0.000 0.447 65 K N 5.975 126.044 120.400 -0.550 0.000 2.463 65 K HA 0.564 4.884 4.320 0.000 0.000 0.255 65 K C -1.602 174.687 176.600 -0.518 0.000 0.942 65 K CA -0.736 55.360 56.287 -0.319 0.000 0.814 65 K CB 1.728 34.144 32.500 -0.140 0.000 1.122 65 K HN 0.546 nan 8.250 nan 0.000 0.425 66 V N 3.712 123.503 119.914 -0.205 0.000 2.572 66 V HA -0.026 4.094 4.120 0.000 0.000 0.291 66 V C 1.245 177.298 176.094 -0.068 0.000 1.039 66 V CA 0.458 62.710 62.300 -0.081 0.000 1.055 66 V CB 1.130 32.979 31.823 0.043 0.000 0.969 66 V HN 1.016 nan 8.190 nan 0.000 0.482 67 S N 2.965 118.640 115.700 -0.043 0.000 2.514 67 S HA 0.224 4.694 4.470 0.000 0.000 0.223 67 S C 0.480 175.082 174.600 0.004 0.000 1.046 67 S CA -0.264 57.924 58.200 -0.020 0.000 0.914 67 S CB 0.294 63.485 63.200 -0.014 0.000 0.807 67 S HN 0.734 nan 8.310 nan 0.000 0.497 68 Q N 1.650 121.462 119.800 0.021 0.000 2.274 68 Q HA 0.451 4.791 4.340 0.000 0.000 0.268 68 Q C -1.323 174.689 176.000 0.021 0.000 1.015 68 Q CA -0.306 55.512 55.803 0.025 0.000 0.775 68 Q CB 2.229 30.990 28.738 0.038 0.000 1.256 68 Q HN 0.352 nan 8.270 nan 0.000 0.442 69 S N 2.467 118.167 115.700 -0.001 0.000 2.560 69 S HA 0.129 4.599 4.470 0.000 0.000 0.284 69 S C 0.715 175.300 174.600 -0.024 0.000 1.327 69 S CA 0.041 58.221 58.200 -0.032 0.000 1.055 69 S CB 0.358 63.532 63.200 -0.044 0.000 0.868 69 S HN 0.629 nan 8.310 nan 0.000 0.506 70 M N 4.261 123.810 119.600 -0.085 0.000 2.484 70 M HA 0.225 4.705 4.480 0.000 0.000 0.307 70 M C 1.745 177.954 176.300 -0.153 0.000 1.149 70 M CA -0.018 55.252 55.300 -0.051 0.000 0.972 70 M CB -0.860 31.639 32.600 -0.168 0.000 1.400 70 M HN 0.837 nan 8.290 nan 0.000 0.508 71 A N 0.372 123.089 122.820 -0.172 0.000 2.032 71 A HA -0.226 4.095 4.320 0.000 0.000 0.221 71 A C 2.072 179.519 177.584 -0.228 0.000 1.165 71 A CA 1.820 53.742 52.037 -0.192 0.000 0.645 71 A CB -0.426 18.489 19.000 -0.143 0.000 0.807 71 A HN 0.478 nan 8.150 nan 0.000 0.453 72 Q N -1.994 117.611 119.800 -0.326 0.000 2.369 72 Q HA -0.067 4.273 4.340 0.000 0.000 0.206 72 Q C 0.925 176.435 176.000 -0.817 0.000 0.963 72 Q CA 1.561 57.030 55.803 -0.557 0.000 0.894 72 Q CB -0.263 28.025 28.738 -0.749 0.000 0.965 72 Q HN 0.799 nan 8.270 nan 0.000 0.475 73 Y N -2.397 117.741 120.300 -0.269 0.000 2.526 73 Y HA 0.369 4.919 4.550 0.000 0.000 0.265 73 Y C 0.365 176.201 175.900 -0.108 0.000 1.092 73 Y CA 0.289 58.148 58.100 -0.402 0.000 1.277 73 Y CB 0.993 39.238 38.460 -0.359 0.000 1.228 73 Y HN -0.086 nan 8.280 nan 0.000 0.507 74 T N 0.162 114.607 114.554 -0.182 0.000 2.956 74 T HA 0.275 4.625 4.350 0.000 0.000 0.312 74 T C -0.229 174.266 174.700 -0.341 0.000 1.151 74 T CA -0.841 61.045 62.100 -0.356 0.000 1.024 74 T CB 1.238 69.493 68.868 -1.021 0.000 1.140 74 T HN 0.275 nan 8.240 nan 0.000 0.473 75 K N 2.354 122.603 120.400 -0.252 0.000 2.458 75 K HA 0.556 4.877 4.320 0.000 0.000 0.194 75 K C 0.778 177.242 176.600 -0.227 0.000 1.024 75 K CA -0.260 55.908 56.287 -0.198 0.000 1.108 75 K CB 0.117 32.544 32.500 -0.121 0.000 0.846 75 K HN 0.519 nan 8.250 nan 0.000 0.518 76 A N 2.278 124.887 122.820 -0.350 0.000 2.553 76 A HA -0.103 4.217 4.320 0.000 0.000 0.258 76 A C 0.641 178.081 177.584 -0.239 0.000 1.069 76 A CA 0.300 52.147 52.037 -0.317 0.000 0.767 76 A CB -0.198 18.475 19.000 -0.546 0.000 0.997 76 A HN 0.527 nan 8.150 nan 0.000 0.512 77 D N 2.378 122.737 120.400 -0.068 0.000 2.116 77 D HA -0.251 4.389 4.640 0.000 0.000 0.193 77 D C 1.373 177.690 176.300 0.027 0.000 0.998 77 D CA 2.354 56.346 54.000 -0.014 0.000 0.836 77 D CB -0.207 40.617 40.800 0.041 0.000 0.951 77 D HN 0.777 nan 8.370 nan 0.000 0.449 78 F N -0.298 119.601 119.950 -0.086 0.000 2.641 78 F HA 0.141 4.668 4.527 0.000 0.000 0.298 78 F C 0.884 176.687 175.800 0.005 0.000 1.146 78 F CA 0.496 58.487 58.000 -0.015 0.000 1.464 78 F CB -0.398 38.600 39.000 -0.002 0.000 1.101 78 F HN 0.009 nan 8.300 nan 0.000 0.585 79 L N 0.538 121.381 121.223 -0.633 0.000 3.014 79 L HA 0.208 4.549 4.340 0.000 0.000 0.263 79 L C 1.985 178.678 176.870 -0.295 0.000 1.207 79 L CA 0.416 54.929 54.840 -0.545 0.000 1.017 79 L CB -0.157 41.382 42.059 -0.866 0.000 1.360 79 L HN 0.277 nan 8.230 nan 0.000 0.560 80 S N -1.153 114.430 115.700 -0.195 0.000 2.387 80 S HA 0.036 4.507 4.470 0.000 0.000 0.226 80 S C 0.707 175.258 174.600 -0.082 0.000 1.026 80 S CA 0.371 58.490 58.200 -0.135 0.000 0.972 80 S CB 0.090 63.232 63.200 -0.096 0.000 0.814 80 S HN 0.438 nan 8.310 nan 0.000 0.477 81 E N 0.402 120.574 120.200 -0.047 0.000 2.277 81 E HA 0.557 4.907 4.350 0.000 0.000 0.266 81 E C -1.382 175.212 176.600 -0.010 0.000 0.901 81 E CA -0.950 55.436 56.400 -0.024 0.000 0.782 81 E CB 2.481 32.176 29.700 -0.009 0.000 1.228 81 E HN -0.001 nan 8.360 nan 0.000 0.424 82 V N 1.877 121.786 119.914 -0.009 0.000 2.585 82 V HA 0.206 4.326 4.120 0.000 0.000 0.296 82 V C 1.333 177.428 176.094 0.001 0.000 1.035 82 V CA 1.703 64.000 62.300 -0.004 0.000 1.084 82 V CB 0.556 32.376 31.823 -0.004 0.000 0.953 82 V HN 1.085 nan 8.190 nan 0.000 0.483 83 G N 3.761 112.560 108.800 -0.002 0.000 2.205 83 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 83 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 83 G C 0.434 175.348 174.900 0.023 0.000 0.980 83 G CA 0.418 45.520 45.100 0.004 0.000 0.632 83 G HN 0.764 nan 8.290 nan 0.000 0.533 84 K N 1.422 121.845 120.400 0.039 0.000 2.447 84 K HA 0.336 4.656 4.320 0.000 0.000 0.281 84 K C 0.168 176.844 176.600 0.125 0.000 1.031 84 K CA 0.300 56.635 56.287 0.079 0.000 1.019 84 K CB 0.147 32.699 32.500 0.086 0.000 0.918 84 K HN 0.444 nan 8.250 nan 0.000 0.476 85 E N 2.293 122.573 120.200 0.134 0.000 2.191 85 E HA 0.233 4.584 4.350 0.000 0.000 0.278 85 E C -1.088 175.658 176.600 0.243 0.000 0.972 85 E CA -0.649 55.854 56.400 0.172 0.000 0.804 85 E CB 2.009 31.777 29.700 0.114 0.000 1.110 85 E HN 0.497 nan 8.360 nan 0.000 0.394 86 T N 3.915 118.676 114.554 0.343 0.000 2.928 86 T HA 0.346 4.697 4.350 0.000 0.000 0.296 86 T C -2.624 172.283 174.700 0.344 0.000 1.000 86 T CA -1.551 60.771 62.100 0.371 0.000 0.989 86 T CB 1.700 70.880 68.868 0.520 0.000 1.005 86 T HN 0.202 nan 8.240 nan 0.000 0.442 87 P HA 0.488 nan 4.420 nan 0.000 0.271 87 P C -1.125 176.385 177.300 0.351 0.000 1.218 87 P CA -0.599 62.650 63.100 0.248 0.000 0.780 87 P CB 0.460 32.252 31.700 0.153 0.000 0.901 88 L N 0.139 121.525 121.223 0.271 0.000 2.568 88 L HA 0.806 5.146 4.340 0.000 0.000 0.257 88 L C -1.553 175.434 176.870 0.194 0.000 1.024 88 L CA -0.947 53.959 54.840 0.111 0.000 0.854 88 L CB 1.359 43.228 42.059 -0.316 0.000 1.460 88 L HN 0.194 nan 8.230 nan 0.000 0.409 89 F N 0.818 120.683 119.950 -0.143 0.000 2.556 89 F HA 0.923 5.450 4.527 0.000 0.000 0.314 89 F C -0.639 174.953 175.800 -0.347 0.000 1.106 89 F CA -0.212 57.659 58.000 -0.214 0.000 0.911 89 F CB 1.948 40.862 39.000 -0.143 0.000 1.190 89 F HN 1.011 nan 8.300 nan 0.000 0.448 90 A N 5.724 127.817 122.820 -1.211 0.000 2.380 90 A HA 0.886 5.207 4.320 0.000 0.000 0.315 90 A C -1.342 175.384 177.584 -1.430 0.000 1.101 90 A CA -0.896 50.391 52.037 -1.250 0.000 0.771 90 A CB 1.650 19.832 19.000 -1.363 0.000 1.287 90 A HN 0.854 nan 8.150 nan 0.000 0.436 91 R N 1.328 121.061 120.500 -1.278 0.000 2.538 91 R HA 0.619 4.959 4.340 0.000 0.000 0.292 91 R C -2.032 173.610 176.300 -1.097 0.000 1.008 91 R CA -0.360 55.178 56.100 -0.937 0.000 0.896 91 R CB 0.887 30.980 30.300 -0.344 0.000 1.187 91 R HN 0.564 nan 8.270 nan 0.000 0.440 92 F N 1.745 121.271 119.950 -0.707 0.000 2.470 92 F HA 0.643 5.170 4.527 0.000 0.000 0.329 92 F C 0.334 175.759 175.800 -0.625 0.000 1.072 92 F CA -0.235 57.211 58.000 -0.923 0.000 0.989 92 F CB 2.276 40.212 39.000 -1.773 0.000 1.193 92 F HN 0.666 nan 8.300 nan 0.000 0.481 93 S N -1.201 114.443 115.700 -0.093 0.000 2.636 93 S HA 0.668 5.138 4.470 0.000 0.000 0.266 93 S C -0.723 174.093 174.600 0.361 0.000 1.147 93 S CA -0.833 57.496 58.200 0.215 0.000 0.815 93 S CB 1.265 64.615 63.200 0.249 0.000 1.119 93 S HN 0.707 nan 8.310 nan 0.000 0.470 94 T N -1.458 113.281 114.554 0.308 0.000 2.888 94 T HA 0.738 5.088 4.350 0.000 0.000 0.283 94 T C 0.842 175.514 174.700 -0.046 0.000 1.013 94 T CA -0.182 62.046 62.100 0.213 0.000 0.938 94 T CB 0.526 69.511 68.868 0.196 0.000 1.298 94 T HN 0.633 nan 8.240 nan 0.000 0.580 95 V N -0.150 119.690 119.914 -0.122 0.000 2.840 95 V HA 0.299 4.420 4.120 0.000 0.000 0.234 95 V C 2.828 178.812 176.094 -0.184 0.000 1.159 95 V CA 0.883 62.970 62.300 -0.355 0.000 1.194 95 V CB -0.997 30.733 31.823 -0.156 0.000 0.971 95 V HN 1.015 nan 8.190 nan 0.000 0.494 96 A N 0.598 123.346 122.820 -0.120 0.000 1.930 96 A HA 0.260 4.580 4.320 0.000 0.000 0.215 96 A C 1.648 179.183 177.584 -0.082 0.000 1.176 96 A CA 1.071 53.027 52.037 -0.135 0.000 0.632 96 A CB -1.058 17.841 19.000 -0.170 0.000 0.819 96 A HN 0.573 nan 8.150 nan 0.000 0.445 97 G N 0.288 109.068 108.800 -0.034 0.000 2.484 97 G HA2 0.371 4.331 3.960 0.000 0.000 0.235 97 G HA3 0.371 4.331 3.960 0.000 0.000 0.235 97 G C -0.185 174.723 174.900 0.014 0.000 1.282 97 G CA -0.149 44.948 45.100 -0.006 0.000 0.857 97 G HN 0.469 nan 8.290 nan 0.000 0.571 98 E N 0.381 120.590 120.200 0.016 0.000 2.602 98 E HA 0.269 4.619 4.350 0.000 0.000 0.255 98 E C 1.891 178.528 176.600 0.062 0.000 1.268 98 E CA -0.729 55.693 56.400 0.037 0.000 1.007 98 E CB 0.635 30.354 29.700 0.033 0.000 1.208 98 E HN 0.297 nan 8.360 nan 0.000 0.584 99 L N 0.186 121.453 121.223 0.073 0.000 2.089 99 L HA -0.192 4.148 4.340 0.000 0.000 0.213 99 L C 1.768 178.681 176.870 0.072 0.000 1.079 99 L CA 1.787 56.680 54.840 0.088 0.000 0.758 99 L CB -0.517 41.596 42.059 0.090 0.000 0.891 99 L HN 0.689 nan 8.230 nan 0.000 0.433 100 G N -1.140 107.694 108.800 0.055 0.000 3.042 100 G HA2 0.008 3.969 3.960 0.000 0.000 0.212 100 G HA3 0.008 3.969 3.960 0.000 0.000 0.212 100 G C 0.694 175.617 174.900 0.039 0.000 1.166 100 G CA 0.369 45.495 45.100 0.043 0.000 0.767 100 G HN 0.421 nan 8.290 nan 0.000 0.546 101 S N 0.050 115.776 115.700 0.043 0.000 2.589 101 S HA 0.435 4.906 4.470 0.000 0.000 0.265 101 S C 0.453 175.078 174.600 0.043 0.000 1.342 101 S CA -0.365 57.856 58.200 0.035 0.000 1.005 101 S CB 1.273 64.493 63.200 0.033 0.000 0.909 101 S HN 0.054 nan 8.310 nan 0.000 0.555 102 S N 1.061 116.778 115.700 0.028 0.000 2.601 102 S HA 0.205 4.675 4.470 0.000 0.000 0.271 102 S C 0.592 175.208 174.600 0.027 0.000 1.305 102 S CA -0.668 57.542 58.200 0.018 0.000 1.022 102 S CB 0.834 64.028 63.200 -0.009 0.000 0.940 102 S HN 0.753 nan 8.310 nan 0.000 0.525 103 D N 1.820 122.220 120.400 -0.000 0.000 2.123 103 D HA -0.058 4.582 4.640 0.000 0.000 0.200 103 D C 1.526 177.759 176.300 -0.111 0.000 0.976 103 D CA 1.279 55.267 54.000 -0.020 0.000 0.831 103 D CB -0.530 40.189 40.800 -0.135 0.000 0.974 103 D HN 0.690 nan 8.370 nan 0.000 0.469 104 T N -0.108 114.318 114.554 -0.214 0.000 4.029 104 T HA 0.304 4.654 4.350 0.000 0.000 0.226 104 T C 0.619 175.306 174.700 -0.022 0.000 0.838 104 T CA -0.201 61.802 62.100 -0.162 0.000 0.907 104 T CB -1.013 67.707 68.868 -0.247 0.000 1.296 104 T HN -0.063 nan 8.240 nan 0.000 0.711 105 L N 0.363 121.613 121.223 0.045 0.000 2.332 105 L HA 0.573 4.914 4.340 0.000 0.000 0.269 105 L C 0.713 177.653 176.870 0.117 0.000 1.016 105 L CA -1.579 53.301 54.840 0.067 0.000 0.809 105 L CB 1.493 43.588 42.059 0.060 0.000 1.280 105 L HN 0.187 nan 8.230 nan 0.000 0.447 106 R N 1.302 121.874 120.500 0.119 0.000 2.316 106 R HA 0.299 4.640 4.340 0.000 0.000 0.314 106 R C -1.448 174.959 176.300 0.178 0.000 1.069 106 R CA 0.236 56.431 56.100 0.157 0.000 0.959 106 R CB 0.342 30.738 30.300 0.161 0.000 0.987 106 R HN 0.600 nan 8.270 nan 0.000 0.446 107 D N 3.421 123.951 120.400 0.217 0.000 2.912 107 D HA 0.236 4.876 4.640 0.000 0.000 0.263 107 D C -2.884 173.590 176.300 0.290 0.000 1.152 107 D CA -1.033 53.112 54.000 0.242 0.000 0.728 107 D CB 1.773 42.681 40.800 0.180 0.000 1.337 107 D HN 0.218 nan 8.370 nan 0.000 0.435 108 P HA 0.426 nan 4.420 nan 0.000 0.274 108 P C -0.794 176.721 177.300 0.357 0.000 1.237 108 P CA -0.522 62.795 63.100 0.363 0.000 0.793 108 P CB 0.559 32.541 31.700 0.470 0.000 0.977 109 R N 0.808 121.534 120.500 0.376 0.000 2.514 109 R HA 0.559 4.899 4.340 0.000 0.000 0.301 109 R C 0.359 176.910 176.300 0.418 0.000 0.962 109 R CA -0.711 55.632 56.100 0.404 0.000 0.882 109 R CB 1.263 31.816 30.300 0.423 0.000 1.143 109 R HN 0.614 nan 8.270 nan 0.000 0.452 110 G N 1.022 110.078 108.800 0.426 0.000 2.467 110 G HA2 0.342 4.303 3.960 0.000 0.000 0.257 110 G HA3 0.342 4.303 3.960 0.000 0.000 0.257 110 G C -0.989 173.977 174.900 0.109 0.000 1.227 110 G CA -0.134 45.114 45.100 0.245 0.000 0.835 110 G HN 0.453 nan 8.290 nan 0.000 0.556 111 F N 2.392 122.217 119.950 -0.208 0.000 2.769 111 F HA 0.569 5.096 4.527 0.000 0.000 0.358 111 F C 0.371 175.777 175.800 -0.657 0.000 1.285 111 F CA -1.011 56.780 58.000 -0.349 0.000 1.199 111 F CB 0.698 39.563 39.000 -0.224 0.000 1.558 111 F HN 0.640 nan 8.300 nan 0.000 0.583 112 A N 3.919 126.222 122.820 -0.861 0.000 2.301 112 A HA 0.741 5.061 4.320 0.000 0.000 0.298 112 A C -1.462 175.329 177.584 -1.322 0.000 1.185 112 A CA -0.287 51.017 52.037 -1.222 0.000 0.830 112 A CB 0.507 18.413 19.000 -1.825 0.000 1.112 112 A HN 0.454 nan 8.150 nan 0.000 0.508 113 L N 1.983 122.616 121.223 -0.982 0.000 2.385 113 L HA 0.533 4.873 4.340 0.000 0.000 0.273 113 L C 0.047 176.654 176.870 -0.438 0.000 0.990 113 L CA -0.255 54.134 54.840 -0.751 0.000 0.821 113 L CB 1.936 43.518 42.059 -0.795 0.000 1.279 113 L HN 0.768 nan 8.230 nan 0.000 0.412 114 K N 3.233 123.437 120.400 -0.326 0.000 2.483 114 K HA 0.534 4.854 4.320 0.000 0.000 0.256 114 K C -1.543 174.681 176.600 -0.627 0.000 0.961 114 K CA -0.381 55.689 56.287 -0.361 0.000 0.873 114 K CB 0.647 32.925 32.500 -0.370 0.000 1.107 114 K HN 0.285 nan 8.250 nan 0.000 0.432 115 F N 3.879 123.538 119.950 -0.485 0.000 2.405 115 F HA 0.256 4.784 4.527 0.000 0.000 0.355 115 F C -0.263 175.293 175.800 -0.407 0.000 1.121 115 F CA -0.589 57.177 58.000 -0.390 0.000 1.112 115 F CB 0.629 39.333 39.000 -0.493 0.000 1.126 115 F HN 0.413 nan 8.300 nan 0.000 0.481 116 Y N 1.766 122.103 120.300 0.062 0.000 2.632 116 Y HA 0.212 4.762 4.550 0.000 0.000 0.336 116 Y C 1.089 177.016 175.900 0.045 0.000 1.237 116 Y CA -0.855 57.261 58.100 0.026 0.000 1.595 116 Y CB -0.430 38.035 38.460 0.009 0.000 1.508 116 Y HN 0.572 nan 8.280 nan 0.000 0.480 117 T N -3.288 111.323 114.554 0.096 0.000 2.847 117 T HA 0.098 4.448 4.350 0.000 0.000 0.279 117 T C 0.905 175.664 174.700 0.098 0.000 0.984 117 T CA -0.785 61.370 62.100 0.093 0.000 0.988 117 T CB 1.011 69.885 68.868 0.011 0.000 1.040 117 T HN 0.398 nan 8.240 nan 0.000 0.528 118 D N 0.254 120.715 120.400 0.101 0.000 2.371 118 D HA 0.023 4.664 4.640 0.000 0.000 0.221 118 D C 0.848 177.180 176.300 0.053 0.000 0.986 118 D CA 0.765 54.809 54.000 0.073 0.000 0.899 118 D CB 0.192 41.033 40.800 0.068 0.000 0.902 118 D HN 0.749 nan 8.370 nan 0.000 0.530 119 E N 0.042 120.273 120.200 0.052 0.000 2.869 119 E HA 0.441 4.791 4.350 0.000 0.000 0.207 119 E C 0.419 177.038 176.600 0.033 0.000 0.986 119 E CA -0.444 55.977 56.400 0.036 0.000 1.131 119 E CB 1.106 30.824 29.700 0.030 0.000 1.098 119 E HN 0.097 nan 8.360 nan 0.000 0.459 120 G N 1.440 110.262 108.800 0.036 0.000 2.459 120 G HA2 -0.168 3.792 3.960 0.000 0.000 0.685 120 G HA3 -0.168 3.792 3.960 0.000 0.000 0.685 120 G C -1.110 173.798 174.900 0.014 0.000 1.303 120 G CA -1.129 43.988 45.100 0.028 0.000 0.907 120 G HN 0.209 nan 8.290 nan 0.000 0.632 121 N N 0.190 118.881 118.700 -0.015 0.000 2.430 121 N HA 0.384 5.124 4.740 0.000 0.000 0.265 121 N C -0.589 174.887 175.510 -0.057 0.000 1.100 121 N CA -0.196 52.795 53.050 -0.098 0.000 0.961 121 N CB 0.995 39.374 38.487 -0.180 0.000 1.075 121 N HN 0.546 nan 8.380 nan 0.000 0.478 122 Y N 2.781 122.951 120.300 -0.217 0.000 2.328 122 Y HA 0.204 4.754 4.550 0.000 0.000 0.337 122 Y C -0.899 174.917 175.900 -0.140 0.000 1.008 122 Y CA -0.957 57.013 58.100 -0.217 0.000 1.129 122 Y CB 0.741 38.965 38.460 -0.393 0.000 1.185 122 Y HN 0.445 nan 8.280 nan 0.000 0.476 123 D N 6.776 126.784 120.400 -0.655 0.000 2.217 123 D HA 0.227 4.867 4.640 0.000 0.000 0.243 123 D C -1.199 174.542 176.300 -0.931 0.000 1.054 123 D CA -0.246 53.397 54.000 -0.596 0.000 0.838 123 D CB 2.387 43.008 40.800 -0.297 0.000 1.162 123 D HN 0.460 nan 8.370 nan 0.000 0.472 124 L N 3.505 124.294 121.223 -0.723 0.000 2.324 124 L HA 0.311 4.651 4.340 0.000 0.000 0.274 124 L C -1.166 175.401 176.870 -0.505 0.000 1.012 124 L CA -0.651 53.795 54.840 -0.657 0.000 0.859 124 L CB 1.018 42.807 42.059 -0.450 0.000 1.224 124 L HN 0.059 nan 8.230 nan 0.000 0.429 125 V N 5.754 125.402 119.914 -0.444 0.000 2.247 125 V HA 0.545 4.665 4.120 0.000 0.000 0.262 125 V C 0.937 176.883 176.094 -0.248 0.000 1.096 125 V CA -0.291 61.758 62.300 -0.419 0.000 0.895 125 V CB 0.485 32.043 31.823 -0.441 0.000 1.141 125 V HN 0.833 nan 8.190 nan 0.000 0.478 126 G N 3.073 111.752 108.800 -0.201 0.000 2.887 126 G HA2 0.613 4.573 3.960 0.000 0.000 0.277 126 G HA3 0.613 4.573 3.960 0.000 0.000 0.277 126 G C -0.774 174.139 174.900 0.021 0.000 1.346 126 G CA -0.611 44.453 45.100 -0.061 0.000 1.058 126 G HN 0.472 nan 8.290 nan 0.000 0.535 127 N N -0.785 117.986 118.700 0.118 0.000 2.577 127 N HA 0.212 4.952 4.740 0.000 0.000 0.285 127 N C 0.234 175.923 175.510 0.298 0.000 1.309 127 N CA -0.717 52.474 53.050 0.236 0.000 0.798 127 N CB 1.471 40.122 38.487 0.273 0.000 1.463 127 N HN 0.534 nan 8.380 nan 0.000 0.518 128 N N -1.065 117.850 118.700 0.358 0.000 2.362 128 N HA -0.020 4.720 4.740 0.000 0.000 0.204 128 N C -0.411 175.402 175.510 0.505 0.000 1.166 128 N CA 0.088 53.388 53.050 0.416 0.000 0.831 128 N CB 0.015 38.729 38.487 0.378 0.000 1.008 128 N HN 0.385 nan 8.380 nan 0.000 0.472 129 T N 0.055 114.809 114.554 0.332 0.000 2.912 129 T HA 0.367 4.717 4.350 0.000 0.000 0.299 129 T C -2.421 171.979 174.700 -0.499 0.000 1.052 129 T CA -1.768 60.263 62.100 -0.115 0.000 0.996 129 T CB 2.261 71.074 68.868 -0.091 0.000 1.070 129 T HN -0.168 nan 8.240 nan 0.000 0.465 130 P HA 0.173 nan 4.420 nan 0.000 0.236 130 P C 0.530 177.583 177.300 -0.412 0.000 1.177 130 P CA 0.334 62.896 63.100 -0.897 0.000 0.773 130 P CB -0.082 31.019 31.700 -0.998 0.000 0.878 131 I N -6.133 114.215 120.570 -0.369 0.000 3.516 131 I HA 0.708 4.878 4.170 0.000 0.000 0.297 131 I C -0.937 175.113 176.117 -0.111 0.000 1.139 131 I CA -1.529 59.615 61.300 -0.259 0.000 1.020 131 I CB 1.509 39.274 38.000 -0.391 0.000 1.341 131 I HN -0.317 nan 8.210 nan 0.000 0.490 132 F N -0.542 119.231 119.950 -0.295 0.000 2.692 132 F HA 0.537 5.064 4.527 0.000 0.000 0.320 132 F C -0.213 175.410 175.800 -0.294 0.000 1.123 132 F CA -1.093 56.758 58.000 -0.249 0.000 0.961 132 F CB 1.774 40.758 39.000 -0.026 0.000 1.383 132 F HN 0.405 nan 8.300 nan 0.000 0.483 133 F N 2.026 121.438 119.950 -0.896 0.000 2.367 133 F HA 0.132 4.659 4.527 0.000 0.000 0.298 133 F C 0.783 176.382 175.800 -0.335 0.000 1.094 133 F CA 0.837 58.428 58.000 -0.682 0.000 1.409 133 F CB -0.286 38.071 39.000 -1.072 0.000 1.064 133 F HN 0.151 nan 8.300 nan 0.000 0.528 134 I N -2.208 118.423 120.570 0.102 0.000 3.108 134 I HA 0.554 4.724 4.170 0.000 0.000 0.312 134 I C 0.184 176.506 176.117 0.341 0.000 1.095 134 I CA -1.175 60.275 61.300 0.250 0.000 1.000 134 I CB 2.383 40.592 38.000 0.350 0.000 1.229 134 I HN -0.162 nan 8.210 nan 0.000 0.454 135 R N -0.195 120.488 120.500 0.305 0.000 2.476 135 R HA 0.379 4.719 4.340 0.000 0.000 0.276 135 R C -0.558 175.981 176.300 0.398 0.000 0.941 135 R CA -0.290 56.008 56.100 0.331 0.000 1.088 135 R CB 0.356 30.833 30.300 0.294 0.000 1.216 135 R HN 0.595 nan 8.270 nan 0.000 0.533 136 D N 0.132 120.735 120.400 0.338 0.000 2.757 136 D HA 0.310 4.951 4.640 0.000 0.000 0.249 136 D C 0.419 176.878 176.300 0.264 0.000 1.168 136 D CA -0.389 53.771 54.000 0.268 0.000 0.870 136 D CB 2.049 42.972 40.800 0.206 0.000 1.411 136 D HN 0.027 nan 8.370 nan 0.000 0.525 137 A N 4.085 127.034 122.820 0.214 0.000 2.076 137 A HA -0.159 4.162 4.320 0.000 0.000 0.220 137 A C 2.083 179.809 177.584 0.236 0.000 1.160 137 A CA 0.798 52.962 52.037 0.212 0.000 0.653 137 A CB -0.452 18.631 19.000 0.137 0.000 0.801 137 A HN 0.752 nan 8.150 nan 0.000 0.455 138 I N -1.303 119.381 120.570 0.191 0.000 2.700 138 I HA -0.165 4.005 4.170 0.000 0.000 0.261 138 I C 1.374 177.607 176.117 0.193 0.000 1.219 138 I CA 1.138 62.537 61.300 0.164 0.000 1.463 138 I CB 0.042 38.113 38.000 0.118 0.000 1.092 138 I HN 0.137 nan 8.210 nan 0.000 0.452 139 K N -0.338 120.218 120.400 0.261 0.000 2.367 139 K HA 0.007 4.327 4.320 0.000 0.000 0.194 139 K C 1.578 178.369 176.600 0.318 0.000 1.027 139 K CA 0.161 56.626 56.287 0.297 0.000 1.075 139 K CB -0.017 32.707 32.500 0.374 0.000 0.845 139 K HN 0.212 nan 8.250 nan 0.000 0.529 140 F N 3.210 123.277 119.950 0.195 0.000 2.069 140 F HA -0.127 4.400 4.527 0.000 0.000 0.298 140 F C -0.989 174.833 175.800 0.036 0.000 1.113 140 F CA 1.154 59.281 58.000 0.211 0.000 1.214 140 F CB -0.987 38.132 39.000 0.197 0.000 0.978 140 F HN 0.009 nan 8.300 nan 0.000 0.474 141 P HA -0.146 nan 4.420 nan 0.000 0.216 141 P C 1.227 178.153 177.300 -0.624 0.000 1.150 141 P CA 1.939 64.800 63.100 -0.399 0.000 0.837 141 P CB -0.074 31.457 31.700 -0.281 0.000 0.786 142 D N -1.383 118.813 120.400 -0.340 0.000 2.097 142 D HA -0.152 4.489 4.640 0.000 0.000 0.197 142 D C 1.855 177.735 176.300 -0.699 0.000 0.984 142 D CA 0.987 54.784 54.000 -0.338 0.000 0.826 142 D CB -0.786 39.995 40.800 -0.031 0.000 0.973 142 D HN 0.196 nan 8.370 nan 0.000 0.460 143 F N 1.702 121.088 119.950 -0.940 0.000 2.075 143 F HA -0.222 4.306 4.527 0.000 0.000 0.297 143 F C 2.202 177.496 175.800 -0.843 0.000 1.113 143 F CA 1.066 58.335 58.000 -1.217 0.000 1.218 143 F CB 0.055 38.707 39.000 -0.581 0.000 0.984 143 F HN -0.191 nan 8.300 nan 0.000 0.472 144 I N 0.502 120.479 120.570 -0.989 0.000 2.286 144 I HA -0.299 3.871 4.170 0.000 0.000 0.248 144 I C 2.363 178.142 176.117 -0.564 0.000 1.115 144 I CA 1.670 62.413 61.300 -0.928 0.000 1.392 144 I CB -1.892 35.638 38.000 -0.783 0.000 1.065 144 I HN 0.361 nan 8.210 nan 0.000 0.418 145 H N 0.530 119.284 119.070 -0.527 0.000 2.353 145 H HA -0.139 4.418 4.556 0.000 0.000 0.300 145 H C 2.490 177.568 175.328 -0.418 0.000 1.090 145 H CA 1.581 57.401 56.048 -0.380 0.000 1.327 145 H CB 0.228 29.828 29.762 -0.270 0.000 1.383 145 H HN 0.383 nan 8.280 nan 0.000 0.508 146 S N 0.494 115.950 115.700 -0.407 0.000 2.402 146 S HA -0.143 4.328 4.470 0.000 0.000 0.229 146 S C 1.881 176.168 174.600 -0.523 0.000 1.021 146 S CA 0.804 58.743 58.200 -0.434 0.000 0.974 146 S CB 0.027 62.923 63.200 -0.508 0.000 0.800 146 S HN 0.362 nan 8.310 nan 0.000 0.484 147 Q N 0.980 120.362 119.800 -0.696 0.000 2.378 147 Q HA 0.255 4.595 4.340 0.000 0.000 0.205 147 Q C 0.849 176.584 176.000 -0.441 0.000 0.954 147 Q CA 0.731 56.129 55.803 -0.676 0.000 0.901 147 Q CB 0.054 28.228 28.738 -0.940 0.000 0.981 147 Q HN 0.657 nan 8.270 nan 0.000 0.483 148 K N 0.163 120.341 120.400 -0.370 0.000 2.727 148 K HA 0.343 4.663 4.320 0.000 0.000 0.299 148 K C 0.158 176.612 176.600 -0.243 0.000 0.996 148 K CA -0.721 55.402 56.287 -0.274 0.000 1.212 148 K CB 0.564 32.925 32.500 -0.231 0.000 1.529 148 K HN -0.127 nan 8.250 nan 0.000 0.646 149 R N 1.263 121.621 120.500 -0.237 0.000 2.582 149 R HA 0.072 4.412 4.340 0.000 0.000 0.271 149 R C -0.113 176.082 176.300 -0.175 0.000 1.078 149 R CA -0.304 55.651 56.100 -0.240 0.000 1.127 149 R CB 0.245 30.309 30.300 -0.393 0.000 1.038 149 R HN 0.459 nan 8.270 nan 0.000 0.500 150 N N 2.783 121.403 118.700 -0.133 0.000 2.447 150 N HA -0.013 4.728 4.740 0.000 0.000 0.263 150 N C -1.477 173.998 175.510 -0.059 0.000 1.226 150 N CA -1.153 51.845 53.050 -0.088 0.000 0.906 150 N CB 0.788 39.242 38.487 -0.055 0.000 1.060 150 N HN 0.326 nan 8.380 nan 0.000 0.468 151 P HA -0.156 nan 4.420 nan 0.000 0.222 151 P C 0.772 178.060 177.300 -0.020 0.000 1.147 151 P CA 1.177 64.243 63.100 -0.057 0.000 0.790 151 P CB 0.289 31.930 31.700 -0.098 0.000 0.780 152 R N 0.284 120.775 120.500 -0.016 0.000 2.087 152 R HA -0.002 4.338 4.340 0.000 0.000 0.216 152 R C 2.272 178.579 176.300 0.013 0.000 1.114 152 R CA 1.830 57.927 56.100 -0.006 0.000 1.002 152 R CB -0.472 29.822 30.300 -0.010 0.000 0.903 152 R HN 0.170 nan 8.270 nan 0.000 0.445 153 T N -3.656 110.911 114.554 0.021 0.000 3.037 153 T HA 0.033 4.383 4.350 0.000 0.000 0.251 153 T C 0.386 175.153 174.700 0.112 0.000 1.079 153 T CA 0.757 62.882 62.100 0.041 0.000 1.067 153 T CB 0.035 68.914 68.868 0.019 0.000 0.948 153 T HN 0.575 nan 8.240 nan 0.000 0.496 154 H N -0.155 118.888 119.070 -0.045 0.000 3.237 154 H HA -0.108 4.448 4.556 0.000 0.000 0.231 154 H C -0.621 174.681 175.328 -0.045 0.000 1.148 154 H CA 0.599 56.618 56.048 -0.048 0.000 1.155 154 H CB -2.219 27.520 29.762 -0.038 0.000 1.210 154 H HN 0.533 nan 8.280 nan 0.000 0.317 155 L N 0.665 121.852 121.223 -0.060 0.000 2.360 155 L HA 0.354 4.694 4.340 0.000 0.000 0.271 155 L C 0.991 177.792 176.870 -0.115 0.000 1.057 155 L CA -0.982 53.809 54.840 -0.082 0.000 0.803 155 L CB 1.012 43.053 42.059 -0.030 0.000 1.207 155 L HN -0.012 nan 8.230 nan 0.000 0.445 156 K N 0.943 121.277 120.400 -0.110 0.000 2.319 156 K HA 0.138 4.458 4.320 0.000 0.000 0.265 156 K C -0.166 176.386 176.600 -0.080 0.000 1.000 156 K CA 0.035 56.253 56.287 -0.114 0.000 0.943 156 K CB 1.182 33.624 32.500 -0.097 0.000 0.950 156 K HN 0.498 nan 8.250 nan 0.000 0.485 157 S N 3.004 118.647 115.700 -0.095 0.000 2.653 157 S HA 0.266 4.737 4.470 0.000 0.000 0.272 157 S C -1.767 172.808 174.600 -0.042 0.000 1.221 157 S CA -1.593 56.572 58.200 -0.058 0.000 1.149 157 S CB 0.823 63.983 63.200 -0.066 0.000 1.029 157 S HN 0.293 nan 8.310 nan 0.000 0.481 158 P HA -0.084 nan 4.420 nan 0.000 0.222 158 P C 1.075 178.499 177.300 0.206 0.000 1.147 158 P CA 0.752 63.937 63.100 0.142 0.000 0.790 158 P CB 0.328 32.169 31.700 0.235 0.000 0.780 159 E N 0.496 120.771 120.200 0.124 0.000 2.077 159 E HA -0.147 4.203 4.350 0.000 0.000 0.193 159 E C 2.119 178.776 176.600 0.095 0.000 0.989 159 E CA 1.477 57.954 56.400 0.127 0.000 0.800 159 E CB -0.637 29.108 29.700 0.074 0.000 0.746 159 E HN 0.114 nan 8.360 nan 0.000 0.452 160 A N -0.067 122.759 122.820 0.009 0.000 1.897 160 A HA -0.093 4.227 4.320 0.000 0.000 0.215 160 A C 2.419 179.922 177.584 -0.135 0.000 1.181 160 A CA 1.235 53.247 52.037 -0.043 0.000 0.620 160 A CB -0.657 18.283 19.000 -0.100 0.000 0.821 160 A HN 0.201 nan 8.150 nan 0.000 0.443 161 V N -1.837 117.909 119.914 -0.280 0.000 2.252 161 V HA -0.320 3.801 4.120 0.000 0.000 0.249 161 V C 2.288 177.968 176.094 -0.689 0.000 1.056 161 V CA 2.189 64.078 62.300 -0.685 0.000 1.022 161 V CB -0.972 30.364 31.823 -0.812 0.000 0.641 161 V HN 0.823 nan 8.190 nan 0.000 0.445 162 W N -0.314 120.932 121.300 -0.090 0.000 2.518 162 W HA -0.022 4.638 4.660 0.000 0.000 0.273 162 W C 2.288 178.865 176.519 0.096 0.000 1.247 162 W CA 0.873 58.279 57.345 0.103 0.000 1.288 162 W CB -0.360 29.186 29.460 0.144 0.000 1.107 162 W HN 0.285 nan 8.180 nan 0.000 0.586 163 D N 0.097 120.644 120.400 0.245 0.000 2.097 163 D HA -0.266 4.374 4.640 0.000 0.000 0.195 163 D C 1.871 178.324 176.300 0.255 0.000 0.989 163 D CA 1.362 55.496 54.000 0.224 0.000 0.827 163 D CB -0.549 40.371 40.800 0.200 0.000 0.966 163 D HN 0.084 nan 8.370 nan 0.000 0.456 164 F N -0.170 119.811 119.950 0.052 0.000 2.102 164 F HA -0.134 4.394 4.527 0.000 0.000 0.298 164 F C 1.888 177.780 175.800 0.154 0.000 1.105 164 F CA 1.434 59.466 58.000 0.054 0.000 1.239 164 F CB -0.327 38.609 39.000 -0.107 0.000 0.991 164 F HN 0.058 nan 8.300 nan 0.000 0.474 165 W N 0.747 122.061 121.300 0.023 0.000 2.388 165 W HA -0.096 4.564 4.660 0.000 0.000 0.294 165 W C 3.016 179.456 176.519 -0.131 0.000 1.212 165 W CA 1.577 58.858 57.345 -0.106 0.000 1.271 165 W CB -1.718 27.689 29.460 -0.088 0.000 1.126 165 W HN 0.258 nan 8.180 nan 0.000 0.535 166 S N -1.211 114.587 115.700 0.165 0.000 2.447 166 S HA -0.168 4.302 4.470 0.000 0.000 0.233 166 S C 1.378 175.852 174.600 -0.209 0.000 1.006 166 S CA 1.206 59.386 58.200 -0.034 0.000 0.957 166 S CB -0.725 62.431 63.200 -0.073 0.000 0.773 166 S HN 0.293 nan 8.310 nan 0.000 0.507 167 H N 0.569 119.593 119.070 -0.076 0.000 2.586 167 H HA 0.420 4.976 4.556 0.000 0.000 0.273 167 H C -0.173 175.018 175.328 -0.229 0.000 0.997 167 H CA 0.123 56.094 56.048 -0.128 0.000 1.177 167 H CB 0.473 30.163 29.762 -0.121 0.000 1.471 167 H HN 0.374 nan 8.280 nan 0.000 0.538 168 S N 2.434 118.014 115.700 -0.200 0.000 2.112 168 S HA 0.129 4.599 4.470 0.000 0.000 0.151 168 S C -1.738 172.688 174.600 -0.289 0.000 1.723 168 S CA -0.857 57.172 58.200 -0.285 0.000 1.263 168 S CB 1.658 64.575 63.200 -0.472 0.000 1.194 168 S HN 0.218 nan 8.310 nan 0.000 0.419 169 P HA -0.206 nan 4.420 nan 0.000 0.220 169 P C 1.317 178.202 177.300 -0.691 0.000 1.144 169 P CA 1.137 63.949 63.100 -0.479 0.000 0.800 169 P CB 0.174 31.634 31.700 -0.400 0.000 0.772 170 E N 1.010 120.740 120.200 -0.784 0.000 2.409 170 E HA -0.106 4.245 4.350 0.000 0.000 0.198 170 E C 1.484 177.939 176.600 -0.242 0.000 1.024 170 E CA 1.311 57.432 56.400 -0.466 0.000 0.861 170 E CB -0.873 28.694 29.700 -0.221 0.000 0.788 170 E HN 0.371 nan 8.360 nan 0.000 0.521 171 S N 0.435 115.979 115.700 -0.260 0.000 2.527 171 S HA 0.071 4.541 4.470 0.000 0.000 0.222 171 S C 2.087 176.502 174.600 -0.309 0.000 0.985 171 S CA -0.090 57.958 58.200 -0.253 0.000 0.921 171 S CB -0.519 62.527 63.200 -0.256 0.000 0.772 171 S HN 0.186 nan 8.310 nan 0.000 0.529 172 L N 1.068 122.134 121.223 -0.262 0.000 2.013 172 L HA -0.222 4.118 4.340 0.000 0.000 0.212 172 L C 2.855 179.722 176.870 -0.005 0.000 1.073 172 L CA 2.239 56.982 54.840 -0.162 0.000 0.753 172 L CB -0.890 41.075 42.059 -0.155 0.000 0.890 172 L HN 0.520 nan 8.230 nan 0.000 0.432 173 H N -0.779 118.208 119.070 -0.138 0.000 2.290 173 H HA -0.253 4.303 4.556 0.000 0.000 0.298 173 H C 2.403 177.634 175.328 -0.161 0.000 1.087 173 H CA 1.596 57.586 56.048 -0.097 0.000 1.291 173 H CB 0.325 30.018 29.762 -0.115 0.000 1.369 173 H HN 0.213 nan 8.280 nan 0.000 0.492 174 Q N 0.571 120.197 119.800 -0.289 0.000 2.172 174 Q HA -0.068 4.272 4.340 0.000 0.000 0.200 174 Q C 2.265 178.001 176.000 -0.439 0.000 0.964 174 Q CA 1.218 56.681 55.803 -0.567 0.000 0.855 174 Q CB -0.239 27.857 28.738 -1.070 0.000 0.918 174 Q HN 0.350 nan 8.270 nan 0.000 0.444 175 V N 0.103 119.821 119.914 -0.328 0.000 2.407 175 V HA -0.249 3.871 4.120 0.000 0.000 0.248 175 V C 2.051 178.172 176.094 0.045 0.000 1.055 175 V CA 2.156 64.313 62.300 -0.237 0.000 1.049 175 V CB -0.818 30.754 31.823 -0.419 0.000 0.662 175 V HN 0.452 nan 8.190 nan 0.000 0.455 176 T N 0.162 114.800 114.554 0.140 0.000 2.788 176 T HA -0.094 4.256 4.350 0.000 0.000 0.268 176 T C 1.806 176.588 174.700 0.137 0.000 1.044 176 T CA 1.576 63.829 62.100 0.255 0.000 1.139 176 T CB -0.208 68.870 68.868 0.350 0.000 0.867 176 T HN 0.347 nan 8.240 nan 0.000 0.454 177 I N 0.622 121.217 120.570 0.042 0.000 2.252 177 I HA -0.081 4.089 4.170 0.000 0.000 0.245 177 I C 2.408 178.554 176.117 0.049 0.000 1.102 177 I CA 0.888 62.194 61.300 0.009 0.000 1.385 177 I CB -0.340 37.597 38.000 -0.106 0.000 1.064 177 I HN 0.209 nan 8.210 nan 0.000 0.414 178 L N 0.409 121.661 121.223 0.048 0.000 2.042 178 L HA -0.219 4.121 4.340 0.000 0.000 0.210 178 L C 2.403 179.379 176.870 0.177 0.000 1.076 178 L CA 1.624 56.554 54.840 0.149 0.000 0.749 178 L CB -0.109 42.097 42.059 0.245 0.000 0.893 178 L HN 0.288 nan 8.230 nan 0.000 0.432 179 M N -0.481 119.226 119.600 0.179 0.000 2.595 179 M HA 0.023 4.503 4.480 0.000 0.000 0.248 179 M C 1.431 177.812 176.300 0.135 0.000 1.119 179 M CA 0.244 55.659 55.300 0.190 0.000 1.079 179 M CB -1.028 31.717 32.600 0.242 0.000 1.472 179 M HN 0.313 nan 8.290 nan 0.000 0.501 180 S N 0.107 115.873 115.700 0.110 0.000 2.625 180 S HA 0.105 4.576 4.470 0.000 0.000 0.262 180 S C 0.897 175.543 174.600 0.077 0.000 1.223 180 S CA -0.400 57.845 58.200 0.074 0.000 0.993 180 S CB 0.953 64.189 63.200 0.061 0.000 1.051 180 S HN 0.187 nan 8.310 nan 0.000 0.562 181 D N 0.489 120.923 120.400 0.057 0.000 2.178 181 D HA -0.041 4.600 4.640 0.000 0.000 0.201 181 D C 1.955 178.303 176.300 0.080 0.000 0.980 181 D CA 1.046 55.082 54.000 0.059 0.000 0.842 181 D CB -0.330 40.493 40.800 0.039 0.000 0.948 181 D HN 0.527 nan 8.370 nan 0.000 0.472 182 R N 0.409 120.961 120.500 0.086 0.000 2.341 182 R HA 0.008 4.348 4.340 0.000 0.000 0.213 182 R C 2.074 178.456 176.300 0.136 0.000 1.082 182 R CA 0.630 56.795 56.100 0.108 0.000 1.017 182 R CB -0.341 30.027 30.300 0.112 0.000 0.860 182 R HN 0.112 nan 8.270 nan 0.000 0.473 183 G N 1.015 109.896 108.800 0.135 0.000 2.498 183 G HA2 -0.095 3.865 3.960 0.000 0.000 0.219 183 G HA3 -0.095 3.865 3.960 0.000 0.000 0.219 183 G C 0.729 175.735 174.900 0.177 0.000 1.119 183 G CA 0.390 45.588 45.100 0.164 0.000 0.766 183 G HN 0.192 nan 8.290 nan 0.000 0.552 184 I N 1.038 121.703 120.570 0.158 0.000 2.560 184 I HA 0.239 4.409 4.170 0.000 0.000 0.278 184 I C -2.716 173.505 176.117 0.174 0.000 1.089 184 I CA -1.995 59.410 61.300 0.176 0.000 1.086 184 I CB 2.743 40.825 38.000 0.137 0.000 1.202 184 I HN -0.171 nan 8.210 nan 0.000 0.471 185 P HA 0.072 nan 4.420 nan 0.000 0.272 185 P C 0.628 178.029 177.300 0.167 0.000 1.230 185 P CA -0.437 62.741 63.100 0.130 0.000 0.788 185 P CB 1.099 32.845 31.700 0.077 0.000 0.949 186 L N 1.572 122.876 121.223 0.135 0.000 2.093 186 L HA 0.016 4.356 4.340 0.000 0.000 0.208 186 L C 0.577 177.596 176.870 0.248 0.000 1.085 186 L CA 2.048 57.011 54.840 0.205 0.000 0.755 186 L CB -0.482 41.590 42.059 0.023 0.000 0.904 186 L HN 0.587 nan 8.230 nan 0.000 0.435 187 S N -3.767 111.923 115.700 -0.017 0.000 2.611 187 S HA 0.257 4.727 4.470 0.000 0.000 0.268 187 S C 0.444 174.816 174.600 -0.380 0.000 1.156 187 S CA -0.528 57.449 58.200 -0.371 0.000 0.817 187 S CB -0.561 62.617 63.200 -0.038 0.000 1.122 187 S HN 0.095 nan 8.310 nan 0.000 0.466 188 F N 0.881 120.586 119.950 -0.408 0.000 2.269 188 F HA 0.018 4.545 4.527 0.000 0.000 0.301 188 F C 2.507 178.121 175.800 -0.311 0.000 1.082 188 F CA 0.691 58.398 58.000 -0.487 0.000 1.360 188 F CB -0.103 38.431 39.000 -0.775 0.000 1.041 188 F HN 0.430 nan 8.300 nan 0.000 0.512 189 R N -0.858 119.580 120.500 -0.104 0.000 2.276 189 R HA -0.020 4.320 4.340 0.000 0.000 0.203 189 R C 0.404 176.408 176.300 -0.494 0.000 1.017 189 R CA 0.617 56.549 56.100 -0.281 0.000 1.010 189 R CB -0.213 29.816 30.300 -0.452 0.000 0.900 189 R HN 0.320 nan 8.270 nan 0.000 0.469 190 H N 0.274 119.332 119.070 -0.020 0.000 2.490 190 H HA 0.244 4.800 4.556 0.000 0.000 0.285 190 H C 0.020 175.350 175.328 0.004 0.000 1.127 190 H CA -0.000 56.028 56.048 -0.034 0.000 0.993 190 H CB 0.032 29.768 29.762 -0.043 0.000 1.653 190 H HN 0.182 nan 8.280 nan 0.000 0.557 191 M N -1.537 118.172 119.600 0.182 0.000 2.631 191 M HA 0.471 4.951 4.480 0.000 0.000 0.288 191 M C -1.071 175.439 176.300 0.349 0.000 1.260 191 M CA -1.067 54.343 55.300 0.183 0.000 0.842 191 M CB 2.684 35.437 32.600 0.254 0.000 1.743 191 M HN -0.178 nan 8.290 nan 0.000 0.461 192 H N -0.098 119.147 119.070 0.292 0.000 2.500 192 H HA 0.797 5.353 4.556 0.000 0.000 0.351 192 H C -0.270 174.877 175.328 -0.301 0.000 1.281 192 H CA -0.310 55.783 56.048 0.075 0.000 1.368 192 H CB 1.566 31.240 29.762 -0.146 0.000 1.616 192 H HN 0.937 nan 8.280 nan 0.000 0.591 193 G N -0.074 108.238 108.800 -0.813 0.000 2.571 193 G HA2 0.553 4.513 3.960 0.000 0.000 0.304 193 G HA3 0.553 4.513 3.960 0.000 0.000 0.304 193 G C -1.643 172.676 174.900 -0.969 0.000 1.314 193 G CA -0.429 43.747 45.100 -1.540 0.000 0.975 193 G HN 0.291 nan 8.290 nan 0.000 0.485 194 F N -0.305 119.495 119.950 -0.251 0.000 2.613 194 F HA 0.542 5.069 4.527 0.000 0.000 0.310 194 F C 1.124 176.916 175.800 -0.013 0.000 1.085 194 F CA -0.508 57.445 58.000 -0.078 0.000 0.945 194 F CB 2.383 41.302 39.000 -0.135 0.000 1.298 194 F HN 0.587 nan 8.300 nan 0.000 0.455 195 G N -0.196 108.786 108.800 0.304 0.000 2.623 195 G HA2 0.215 4.175 3.960 0.000 0.000 0.214 195 G HA3 0.215 4.175 3.960 0.000 0.000 0.214 195 G C 0.841 175.892 174.900 0.252 0.000 1.138 195 G CA 0.827 46.127 45.100 0.333 0.000 0.794 195 G HN 0.704 nan 8.290 nan 0.000 0.535 196 S N -0.772 115.004 115.700 0.127 0.000 1.694 196 S HA -0.242 4.228 4.470 0.000 0.000 0.236 196 S C 0.858 175.391 174.600 -0.112 0.000 0.821 196 S CA 1.387 59.530 58.200 -0.095 0.000 1.530 196 S CB -1.280 61.761 63.200 -0.267 0.000 1.703 196 S HN 0.672 nan 8.310 nan 0.000 0.517 197 H N 2.175 121.249 119.070 0.006 0.000 2.757 197 H HA 0.318 4.875 4.556 0.000 0.000 0.370 197 H C 0.446 175.648 175.328 -0.211 0.000 1.172 197 H CA 0.877 56.801 56.048 -0.206 0.000 1.426 197 H CB 0.022 29.450 29.762 -0.557 0.000 1.438 197 H HN 0.377 nan 8.280 nan 0.000 0.612 198 T N 3.331 117.861 114.554 -0.040 0.000 2.794 198 T HA 0.270 4.620 4.350 0.000 0.000 0.296 198 T C 0.158 174.799 174.700 -0.099 0.000 0.949 198 T CA -0.094 62.033 62.100 0.045 0.000 1.101 198 T CB -0.080 68.890 68.868 0.170 0.000 0.905 198 T HN 0.214 nan 8.240 nan 0.000 0.516 199 F N 1.284 121.357 119.950 0.205 0.000 2.585 199 F HA 0.575 5.103 4.527 0.000 0.000 0.350 199 F C 0.790 176.616 175.800 0.044 0.000 1.074 199 F CA -1.146 56.972 58.000 0.196 0.000 1.032 199 F CB 1.329 40.554 39.000 0.375 0.000 1.330 199 F HN 0.156 nan 8.300 nan 0.000 0.495 200 K N 0.555 121.076 120.400 0.202 0.000 2.292 200 K HA 0.297 4.617 4.320 0.000 0.000 0.257 200 K C -1.857 174.862 176.600 0.198 0.000 0.940 200 K CA -0.650 55.591 56.287 -0.078 0.000 0.811 200 K CB 1.413 33.728 32.500 -0.308 0.000 1.120 200 K HN 0.409 nan 8.250 nan 0.000 0.428 201 W N 2.415 123.648 121.300 -0.112 0.000 2.632 201 W HA 0.447 5.107 4.660 0.000 0.000 0.328 201 W C -0.865 175.663 176.519 0.015 0.000 1.044 201 W CA -0.743 56.586 57.345 -0.028 0.000 1.225 201 W CB 1.713 31.184 29.460 0.019 0.000 1.396 201 W HN 0.069 nan 8.180 nan 0.000 0.499 202 V N 4.457 124.462 119.914 0.152 0.000 2.577 202 V HA 0.282 4.402 4.120 0.000 0.000 0.303 202 V C -0.009 176.115 176.094 0.050 0.000 1.042 202 V CA -1.072 61.280 62.300 0.087 0.000 0.872 202 V CB 1.389 33.195 31.823 -0.028 0.000 0.998 202 V HN 0.570 nan 8.190 nan 0.000 0.423 203 N N 3.931 122.696 118.700 0.109 0.000 2.418 203 N HA 0.509 5.249 4.740 0.000 0.000 0.283 203 N C 1.168 176.673 175.510 -0.008 0.000 1.267 203 N CA -0.081 52.983 53.050 0.023 0.000 0.975 203 N CB 0.847 39.362 38.487 0.046 0.000 1.167 203 N HN 0.575 nan 8.380 nan 0.000 0.581 204 A N -0.805 121.995 122.820 -0.033 0.000 2.024 204 A HA 0.006 4.326 4.320 0.000 0.000 0.220 204 A C 1.964 179.539 177.584 -0.015 0.000 1.164 204 A CA 1.885 53.903 52.037 -0.031 0.000 0.643 204 A CB -1.455 17.521 19.000 -0.040 0.000 0.806 204 A HN 0.855 nan 8.150 nan 0.000 0.451 205 A N -2.022 120.797 122.820 -0.002 0.000 2.238 205 A HA 0.408 4.728 4.320 0.000 0.000 0.208 205 A C 1.793 179.381 177.584 0.007 0.000 1.177 205 A CA 1.206 53.246 52.037 0.004 0.000 0.804 205 A CB -0.818 18.189 19.000 0.012 0.000 0.823 205 A HN 1.874 nan 8.150 nan 0.000 0.482 206 G N -0.689 108.115 108.800 0.007 0.000 2.141 206 G HA2 -0.223 3.737 3.960 0.000 0.000 0.242 206 G HA3 -0.223 3.737 3.960 0.000 0.000 0.242 206 G C -0.149 174.742 174.900 -0.014 0.000 0.982 206 G CA 0.248 45.345 45.100 -0.005 0.000 0.662 206 G HN 0.603 nan 8.290 nan 0.000 0.527 207 E N -0.134 120.076 120.200 0.015 0.000 2.338 207 E HA 0.461 4.811 4.350 0.000 0.000 0.272 207 E C 0.262 176.780 176.600 -0.138 0.000 1.029 207 E CA -0.319 56.050 56.400 -0.050 0.000 0.872 207 E CB 1.690 31.416 29.700 0.043 0.000 1.015 207 E HN 0.144 nan 8.360 nan 0.000 0.417 208 V N 4.315 123.998 119.914 -0.386 0.000 2.547 208 V HA 0.445 4.565 4.120 0.000 0.000 0.299 208 V C -0.705 174.947 176.094 -0.736 0.000 1.040 208 V CA -0.538 61.496 62.300 -0.442 0.000 0.913 208 V CB 0.574 32.071 31.823 -0.544 0.000 0.992 208 V HN 0.486 nan 8.190 nan 0.000 0.449 209 F N 2.948 122.823 119.950 -0.126 0.000 2.578 209 F HA 0.631 5.158 4.527 0.000 0.000 0.311 209 F C -0.573 175.053 175.800 -0.289 0.000 1.094 209 F CA -0.723 57.241 58.000 -0.061 0.000 0.923 209 F CB 1.671 40.736 39.000 0.109 0.000 1.230 209 F HN 0.249 nan 8.300 nan 0.000 0.450 210 F N 2.561 122.561 119.950 0.083 0.000 2.408 210 F HA 0.685 5.212 4.527 0.000 0.000 0.344 210 F C 0.172 175.874 175.800 -0.164 0.000 1.112 210 F CA -0.883 57.103 58.000 -0.024 0.000 1.096 210 F CB 1.549 40.545 39.000 -0.007 0.000 1.129 210 F HN 0.301 nan 8.300 nan 0.000 0.486 211 V N 0.325 120.159 119.914 -0.133 0.000 3.074 211 V HA 0.697 4.818 4.120 0.000 0.000 0.314 211 V C -1.122 174.842 176.094 -0.217 0.000 1.117 211 V CA -1.081 60.978 62.300 -0.403 0.000 1.014 211 V CB 2.385 33.531 31.823 -1.128 0.000 1.057 211 V HN 0.632 nan 8.190 nan 0.000 0.438 212 K N 1.917 122.174 120.400 -0.237 0.000 2.471 212 K HA 0.514 4.834 4.320 0.000 0.000 0.252 212 K C -1.913 174.657 176.600 -0.050 0.000 0.938 212 K CA -0.355 55.923 56.287 -0.014 0.000 0.796 212 K CB 2.294 34.850 32.500 0.094 0.000 1.161 212 K HN 0.797 nan 8.250 nan 0.000 0.425 213 Y N 1.787 122.108 120.300 0.035 0.000 2.308 213 Y HA 0.215 4.766 4.550 0.000 0.000 0.329 213 Y C 0.597 176.404 175.900 -0.155 0.000 1.111 213 Y CA -0.070 58.014 58.100 -0.026 0.000 1.179 213 Y CB 0.972 39.467 38.460 0.058 0.000 1.201 213 Y HN 0.348 nan 8.280 nan 0.000 0.483 214 H N 4.532 123.566 119.070 -0.059 0.000 2.906 214 H HA 0.251 4.807 4.556 0.000 0.000 0.324 214 H C -1.548 173.573 175.328 -0.345 0.000 0.973 214 H CA -0.764 55.183 56.048 -0.169 0.000 1.321 214 H CB 1.003 30.710 29.762 -0.090 0.000 1.535 214 H HN 0.537 nan 8.280 nan 0.000 0.518 215 F N 3.101 122.886 119.950 -0.275 0.000 2.313 215 F HA 0.261 4.788 4.527 0.000 0.000 0.369 215 F C 0.718 176.504 175.800 -0.023 0.000 1.109 215 F CA -0.618 57.325 58.000 -0.095 0.000 1.132 215 F CB 0.880 39.706 39.000 -0.291 0.000 1.291 215 F HN 0.132 nan 8.300 nan 0.000 0.496 216 K N 1.904 122.433 120.400 0.216 0.000 2.248 216 K HA 0.189 4.509 4.320 0.000 0.000 0.281 216 K C 0.326 177.174 176.600 0.415 0.000 1.054 216 K CA -0.492 55.899 56.287 0.173 0.000 0.903 216 K CB 1.498 33.968 32.500 -0.049 0.000 1.077 216 K HN 0.490 nan 8.250 nan 0.000 0.474 217 T N 2.228 117.093 114.554 0.519 0.000 2.867 217 T HA 0.017 4.367 4.350 0.000 0.000 0.297 217 T C 0.922 175.544 174.700 -0.131 0.000 0.989 217 T CA -0.233 61.772 62.100 -0.158 0.000 1.159 217 T CB 0.131 68.917 68.868 -0.136 0.000 0.928 217 T HN 0.398 nan 8.240 nan 0.000 0.538 218 N N 3.576 122.105 118.700 -0.285 0.000 2.461 218 N HA 0.005 4.745 4.740 0.000 0.000 0.188 218 N C 1.244 176.668 175.510 -0.143 0.000 1.134 218 N CA 0.410 53.378 53.050 -0.137 0.000 0.878 218 N CB 0.250 38.674 38.487 -0.105 0.000 0.972 218 N HN 0.641 nan 8.380 nan 0.000 0.456 219 Q N -0.184 119.477 119.800 -0.232 0.000 2.384 219 Q HA 0.324 4.664 4.340 0.000 0.000 0.207 219 Q C 0.591 176.608 176.000 0.028 0.000 0.904 219 Q CA 0.124 55.839 55.803 -0.147 0.000 0.933 219 Q CB 0.559 29.077 28.738 -0.367 0.000 1.077 219 Q HN 0.277 nan 8.270 nan 0.000 0.522 220 G N 0.481 109.290 108.800 0.016 0.000 2.705 220 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 220 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 220 G C -0.830 174.129 174.900 0.098 0.000 1.285 220 G CA -0.958 44.187 45.100 0.075 0.000 0.800 220 G HN 0.055 nan 8.290 nan 0.000 0.611 221 I N 1.539 122.124 120.570 0.025 0.000 2.471 221 I HA 0.327 4.497 4.170 0.000 0.000 0.286 221 I C 0.784 176.909 176.117 0.014 0.000 1.079 221 I CA 0.521 61.813 61.300 -0.014 0.000 1.398 221 I CB 0.742 38.703 38.000 -0.065 0.000 1.403 221 I HN 0.476 nan 8.210 nan 0.000 0.530 222 K N 6.207 126.618 120.400 0.018 0.000 2.501 222 K HA 0.517 4.837 4.320 0.000 0.000 0.252 222 K C -0.996 175.602 176.600 -0.003 0.000 0.934 222 K CA -0.920 55.333 56.287 -0.058 0.000 0.797 222 K CB 2.687 35.022 32.500 -0.275 0.000 1.270 222 K HN 0.448 nan 8.250 nan 0.000 0.431 223 N N 1.708 120.412 118.700 0.006 0.000 2.577 223 N HA 0.524 5.264 4.740 0.000 0.000 0.285 223 N C -1.017 174.517 175.510 0.040 0.000 1.309 223 N CA -0.735 52.342 53.050 0.045 0.000 0.798 223 N CB 1.474 39.993 38.487 0.052 0.000 1.463 223 N HN 0.295 nan 8.380 nan 0.000 0.518 224 L N 0.934 122.193 121.223 0.060 0.000 2.322 224 L HA 0.341 4.681 4.340 0.000 0.000 0.281 224 L C 0.314 177.198 176.870 0.022 0.000 1.014 224 L CA -0.752 54.108 54.840 0.032 0.000 0.815 224 L CB 1.484 43.560 42.059 0.029 0.000 1.247 224 L HN 0.398 nan 8.230 nan 0.000 0.421 225 E N 0.947 121.150 120.200 0.004 0.000 2.398 225 E HA 0.053 4.403 4.350 0.000 0.000 0.263 225 E C 0.871 177.475 176.600 0.006 0.000 1.046 225 E CA 0.292 56.696 56.400 0.007 0.000 0.908 225 E CB 1.192 30.890 29.700 -0.002 0.000 0.963 225 E HN 0.515 nan 8.360 nan 0.000 0.431 226 S N 2.094 117.805 115.700 0.019 0.000 2.372 226 S HA -0.285 4.185 4.470 0.000 0.000 0.227 226 S C 1.656 176.258 174.600 0.003 0.000 1.044 226 S CA 1.581 59.795 58.200 0.023 0.000 1.050 226 S CB -0.164 63.059 63.200 0.039 0.000 0.901 226 S HN 0.551 nan 8.310 nan 0.000 0.447 227 Q N 0.249 120.047 119.800 -0.003 0.000 2.030 227 Q HA -0.084 4.256 4.340 0.000 0.000 0.204 227 Q C 2.281 178.260 176.000 -0.035 0.000 0.986 227 Q CA 1.212 57.007 55.803 -0.014 0.000 0.843 227 Q CB -0.284 28.447 28.738 -0.012 0.000 0.904 227 Q HN 0.458 nan 8.270 nan 0.000 0.420 228 L N -0.051 121.145 121.223 -0.045 0.000 2.042 228 L HA -0.219 4.121 4.340 0.000 0.000 0.210 228 L C 2.315 179.115 176.870 -0.117 0.000 1.076 228 L CA 1.340 56.133 54.840 -0.080 0.000 0.749 228 L CB -0.540 41.471 42.059 -0.080 0.000 0.893 228 L HN 0.289 nan 8.230 nan 0.000 0.432 229 A N -0.499 122.265 122.820 -0.094 0.000 1.908 229 A HA -0.305 4.015 4.320 0.000 0.000 0.218 229 A C 2.175 179.699 177.584 -0.101 0.000 1.181 229 A CA 2.034 54.004 52.037 -0.110 0.000 0.627 229 A CB -0.589 18.387 19.000 -0.041 0.000 0.818 229 A HN 0.579 nan 8.150 nan 0.000 0.445 230 E N -0.534 119.629 120.200 -0.060 0.000 2.106 230 E HA -0.229 4.121 4.350 0.000 0.000 0.192 230 E C 2.041 178.602 176.600 -0.064 0.000 0.984 230 E CA 1.220 57.593 56.400 -0.046 0.000 0.806 230 E CB -0.137 29.550 29.700 -0.022 0.000 0.750 230 E HN 0.766 nan 8.360 nan 0.000 0.458 231 E N 0.349 120.504 120.200 -0.076 0.000 2.051 231 E HA -0.192 4.158 4.350 0.000 0.000 0.192 231 E C 2.139 178.671 176.600 -0.113 0.000 0.991 231 E CA 1.287 57.639 56.400 -0.081 0.000 0.799 231 E CB -0.083 29.569 29.700 -0.080 0.000 0.748 231 E HN 0.342 nan 8.360 nan 0.000 0.449 232 I N 0.898 121.358 120.570 -0.183 0.000 2.361 232 I HA -0.225 3.945 4.170 0.000 0.000 0.251 232 I C 2.488 178.499 176.117 -0.175 0.000 1.133 232 I CA 0.761 61.905 61.300 -0.261 0.000 1.413 232 I CB -0.312 37.365 38.000 -0.539 0.000 1.073 232 I HN 0.160 nan 8.210 nan 0.000 0.424 233 A N 0.837 123.577 122.820 -0.133 0.000 2.019 233 A HA -0.100 4.220 4.320 0.000 0.000 0.219 233 A C 2.358 179.912 177.584 -0.050 0.000 1.164 233 A CA 1.932 53.921 52.037 -0.081 0.000 0.644 233 A CB -1.010 17.956 19.000 -0.057 0.000 0.805 233 A HN 0.477 nan 8.150 nan 0.000 0.449 234 G N -0.776 107.993 108.800 -0.051 0.000 2.486 234 G HA2 -0.029 3.931 3.960 0.000 0.000 0.210 234 G HA3 -0.029 3.931 3.960 0.000 0.000 0.210 234 G C 1.611 176.494 174.900 -0.027 0.000 1.168 234 G CA 0.568 45.649 45.100 -0.031 0.000 0.820 234 G HN 0.493 nan 8.290 nan 0.000 0.544 235 K N -0.266 120.111 120.400 -0.040 0.000 2.148 235 K HA -0.027 4.293 4.320 0.000 0.000 0.204 235 K C 0.320 176.917 176.600 -0.005 0.000 1.050 235 K CA 0.878 57.150 56.287 -0.025 0.000 0.942 235 K CB 0.097 32.575 32.500 -0.037 0.000 0.724 235 K HN 0.228 nan 8.250 nan 0.000 0.446 236 N N -0.623 118.072 118.700 -0.009 0.000 2.732 236 N HA 0.090 4.830 4.740 0.000 0.000 0.247 236 N C -2.522 173.013 175.510 0.041 0.000 1.305 236 N CA -1.591 51.484 53.050 0.042 0.000 0.762 236 N CB 1.269 39.830 38.487 0.124 0.000 1.361 236 N HN -0.221 nan 8.380 nan 0.000 0.545 237 P HA 0.018 nan 4.420 nan 0.000 0.228 237 P C -0.445 176.879 177.300 0.040 0.000 1.151 237 P CA 0.988 64.099 63.100 0.018 0.000 0.770 237 P CB 0.453 32.161 31.700 0.014 0.000 0.786 238 D N -1.390 119.048 120.400 0.062 0.000 2.559 238 D HA 0.097 4.737 4.640 0.000 0.000 0.234 238 D C 1.120 177.475 176.300 0.093 0.000 1.226 238 D CA -0.603 53.439 54.000 0.069 0.000 0.830 238 D CB -0.694 40.130 40.800 0.040 0.000 1.028 238 D HN 0.081 nan 8.370 nan 0.000 0.492 239 F N 1.302 121.204 119.950 -0.080 0.000 2.087 239 F HA -0.291 4.236 4.527 0.000 0.000 0.299 239 F C 2.027 177.812 175.800 -0.025 0.000 1.100 239 F CA 1.982 59.931 58.000 -0.085 0.000 1.226 239 F CB 0.078 38.973 39.000 -0.174 0.000 0.983 239 F HN 0.172 nan 8.300 nan 0.000 0.479 240 H N -0.594 118.405 119.070 -0.119 0.000 2.395 240 H HA -0.059 4.497 4.556 0.000 0.000 0.299 240 H C 2.312 177.520 175.328 -0.200 0.000 1.070 240 H CA 1.238 57.033 56.048 -0.422 0.000 1.356 240 H CB -0.009 29.217 29.762 -0.892 0.000 1.401 240 H HN 0.296 nan 8.280 nan 0.000 0.524 241 I N 0.702 121.365 120.570 0.155 0.000 2.202 241 I HA -0.231 3.939 4.170 0.000 0.000 0.242 241 I C 2.580 178.794 176.117 0.161 0.000 1.091 241 I CA 1.315 62.767 61.300 0.253 0.000 1.368 241 I CB -0.186 37.942 38.000 0.213 0.000 1.058 241 I HN 0.345 nan 8.210 nan 0.000 0.410 242 E N 1.107 121.343 120.200 0.061 0.000 2.077 242 E HA -0.311 4.039 4.350 0.000 0.000 0.193 242 E C 1.967 178.583 176.600 0.028 0.000 0.989 242 E CA 1.624 58.048 56.400 0.040 0.000 0.800 242 E CB -0.105 29.590 29.700 -0.008 0.000 0.746 242 E HN 0.424 nan 8.360 nan 0.000 0.452 243 D N 0.622 120.958 120.400 -0.106 0.000 2.104 243 D HA -0.209 4.431 4.640 0.000 0.000 0.194 243 D C 2.168 178.472 176.300 0.008 0.000 0.994 243 D CA 0.910 54.832 54.000 -0.131 0.000 0.830 243 D CB -0.182 40.437 40.800 -0.300 0.000 0.959 243 D HN 0.299 nan 8.370 nan 0.000 0.452 244 L N 0.427 121.704 121.223 0.089 0.000 2.046 244 L HA -0.185 4.155 4.340 0.000 0.000 0.208 244 L C 2.696 179.669 176.870 0.171 0.000 1.077 244 L CA 1.456 56.397 54.840 0.168 0.000 0.747 244 L CB -0.715 41.529 42.059 0.308 0.000 0.896 244 L HN 0.285 nan 8.230 nan 0.000 0.432 245 H N 0.313 119.454 119.070 0.119 0.000 2.321 245 H HA -0.168 4.388 4.556 0.000 0.000 0.300 245 H C 1.900 177.284 175.328 0.093 0.000 1.087 245 H CA 1.913 58.031 56.048 0.116 0.000 1.319 245 H CB 0.159 29.987 29.762 0.111 0.000 1.379 245 H HN 0.390 nan 8.280 nan 0.000 0.501 246 N N 0.836 119.630 118.700 0.156 0.000 2.120 246 N HA -0.114 4.626 4.740 0.000 0.000 0.188 246 N C 2.112 177.633 175.510 0.019 0.000 1.024 246 N CA 1.282 54.383 53.050 0.086 0.000 0.852 246 N CB -0.644 37.889 38.487 0.078 0.000 1.003 246 N HN 0.424 nan 8.380 nan 0.000 0.424 247 A N 1.276 124.112 122.820 0.027 0.000 1.883 247 A HA -0.087 4.233 4.320 0.000 0.000 0.217 247 A C 2.324 179.938 177.584 0.049 0.000 1.186 247 A CA 1.056 53.106 52.037 0.023 0.000 0.624 247 A CB -0.673 18.345 19.000 0.030 0.000 0.822 247 A HN 0.236 nan 8.150 nan 0.000 0.444 248 I N -1.162 119.458 120.570 0.084 0.000 2.353 248 I HA -0.162 4.008 4.170 0.000 0.000 0.248 248 I C 2.451 178.647 176.117 0.133 0.000 1.119 248 I CA 1.381 62.802 61.300 0.201 0.000 1.417 248 I CB -0.246 37.835 38.000 0.135 0.000 1.078 248 I HN 0.265 nan 8.210 nan 0.000 0.421 249 E N 1.110 121.285 120.200 -0.042 0.000 2.150 249 E HA -0.139 4.211 4.350 0.000 0.000 0.193 249 E C 1.459 178.057 176.600 -0.003 0.000 0.985 249 E CA 0.907 57.282 56.400 -0.043 0.000 0.814 249 E CB -0.070 29.567 29.700 -0.106 0.000 0.752 249 E HN 0.315 nan 8.360 nan 0.000 0.466 250 N N 0.466 119.153 118.700 -0.022 0.000 2.383 250 N HA -0.000 4.740 4.740 0.000 0.000 0.192 250 N C -0.399 175.028 175.510 -0.138 0.000 1.141 250 N CA 0.225 53.244 53.050 -0.052 0.000 0.851 250 N CB 0.375 38.837 38.487 -0.041 0.000 0.976 250 N HN 0.148 nan 8.380 nan 0.000 0.465 251 Q N -0.500 119.180 119.800 -0.199 0.000 2.503 251 Q HA -0.196 4.144 4.340 0.000 0.000 0.267 251 Q C -0.920 174.608 176.000 -0.786 0.000 1.030 251 Q CA 0.622 56.027 55.803 -0.662 0.000 1.041 251 Q CB -1.697 26.745 28.738 -0.493 0.000 1.406 251 Q HN 0.460 nan 8.270 nan 0.000 0.524 252 E N 0.407 120.383 120.200 -0.373 0.000 2.427 252 E HA 0.141 4.491 4.350 0.000 0.000 0.259 252 E C -0.653 175.915 176.600 -0.053 0.000 1.267 252 E CA -0.335 55.934 56.400 -0.219 0.000 1.425 252 E CB 0.061 29.699 29.700 -0.102 0.000 1.482 252 E HN 0.223 nan 8.360 nan 0.000 0.460 253 F N 3.696 123.640 119.950 -0.009 0.000 2.571 253 F HA 0.020 4.547 4.527 0.000 0.000 0.390 253 F C -1.284 174.503 175.800 -0.022 0.000 1.043 253 F CA -1.803 56.201 58.000 0.008 0.000 1.164 253 F CB -0.011 39.007 39.000 0.030 0.000 1.049 253 F HN 0.132 nan 8.300 nan 0.000 0.552 254 P HA 0.144 nan 4.420 nan 0.000 0.278 254 P C -0.894 176.383 177.300 -0.038 0.000 1.238 254 P CA -0.298 62.748 63.100 -0.089 0.000 0.794 254 P CB 1.769 33.383 31.700 -0.143 0.000 0.955 255 S N 1.540 117.078 115.700 -0.269 0.000 2.627 255 S HA 0.727 5.197 4.470 0.000 0.000 0.283 255 S C -1.458 173.055 174.600 -0.145 0.000 1.127 255 S CA -0.774 57.445 58.200 0.031 0.000 0.863 255 S CB 1.692 64.953 63.200 0.101 0.000 1.121 255 S HN 0.542 nan 8.310 nan 0.000 0.479 256 W N 0.446 121.901 121.300 0.259 0.000 3.022 256 W HA 0.415 5.075 4.660 0.000 0.000 0.335 256 W C -1.040 175.662 176.519 0.306 0.000 1.133 256 W CA -0.679 56.858 57.345 0.320 0.000 1.219 256 W CB 2.532 32.291 29.460 0.498 0.000 1.409 256 W HN 0.602 nan 8.180 nan 0.000 0.507 257 T N 3.796 118.595 114.554 0.408 0.000 2.733 257 T HA 0.288 4.639 4.350 0.000 0.000 0.294 257 T C -0.480 174.362 174.700 0.236 0.000 0.956 257 T CA -0.427 61.835 62.100 0.270 0.000 0.987 257 T CB 0.825 69.779 68.868 0.144 0.000 0.920 257 T HN 0.191 nan 8.240 nan 0.000 0.470 258 L N 4.666 126.029 121.223 0.233 0.000 2.276 258 L HA 0.685 5.025 4.340 0.000 0.000 0.286 258 L C -0.142 176.738 176.870 0.018 0.000 1.061 258 L CA 0.174 55.002 54.840 -0.020 0.000 0.807 258 L CB 0.740 42.766 42.059 -0.055 0.000 1.177 258 L HN 0.688 nan 8.230 nan 0.000 0.429 259 S N 4.014 119.678 115.700 -0.059 0.000 2.569 259 S HA 0.887 5.358 4.470 0.000 0.000 0.280 259 S C -0.610 173.943 174.600 -0.079 0.000 1.111 259 S CA -0.455 57.719 58.200 -0.044 0.000 0.887 259 S CB 1.498 64.665 63.200 -0.054 0.000 1.095 259 S HN 0.869 nan 8.310 nan 0.000 0.476 260 V N -1.069 118.761 119.914 -0.140 0.000 3.046 260 V HA 0.672 4.792 4.120 0.000 0.000 0.316 260 V C -0.956 175.002 176.094 -0.226 0.000 1.104 260 V CA -0.982 61.176 62.300 -0.238 0.000 1.006 260 V CB 1.479 32.966 31.823 -0.559 0.000 1.058 260 V HN 0.956 nan 8.190 nan 0.000 0.440 261 Q N 1.563 121.245 119.800 -0.198 0.000 2.290 261 Q HA 0.670 5.010 4.340 0.000 0.000 0.259 261 Q C -1.184 174.660 176.000 -0.260 0.000 0.941 261 Q CA -0.424 55.291 55.803 -0.148 0.000 0.912 261 Q CB 2.204 30.922 28.738 -0.033 0.000 1.244 261 Q HN 0.743 nan 8.270 nan 0.000 0.441 262 I N 4.138 124.572 120.570 -0.227 0.000 2.382 262 I HA 0.350 4.520 4.170 0.000 0.000 0.286 262 I C -0.848 175.214 176.117 -0.092 0.000 1.002 262 I CA -0.750 60.391 61.300 -0.265 0.000 1.135 262 I CB 1.245 38.950 38.000 -0.491 0.000 1.288 262 I HN 0.453 nan 8.210 nan 0.000 0.448 263 I N 8.653 129.171 120.570 -0.086 0.000 2.382 263 I HA 0.360 4.530 4.170 0.000 0.000 0.285 263 I C -2.371 173.872 176.117 0.210 0.000 1.007 263 I CA -1.908 59.329 61.300 -0.106 0.000 1.142 263 I CB 1.331 39.100 38.000 -0.384 0.000 1.289 263 I HN 0.247 nan 8.210 nan 0.000 0.453 264 P HA -0.026 nan 4.420 nan 0.000 0.266 264 P C 0.800 178.236 177.300 0.228 0.000 1.195 264 P CA 0.164 63.398 63.100 0.224 0.000 0.768 264 P CB 0.432 32.268 31.700 0.227 0.000 0.838 265 Y N 3.769 124.074 120.300 0.008 0.000 2.029 265 Y HA -0.420 4.130 4.550 0.000 0.000 0.269 265 Y C 2.179 178.156 175.900 0.129 0.000 1.201 265 Y CA 1.778 59.986 58.100 0.180 0.000 1.115 265 Y CB -0.466 38.003 38.460 0.014 0.000 0.945 265 Y HN 0.433 nan 8.280 nan 0.000 0.497 266 A N 0.073 122.898 122.820 0.008 0.000 1.948 266 A HA -0.283 4.037 4.320 0.000 0.000 0.220 266 A C 1.627 179.182 177.584 -0.049 0.000 1.177 266 A CA 2.209 54.174 52.037 -0.120 0.000 0.636 266 A CB -0.937 18.022 19.000 -0.068 0.000 0.815 266 A HN 0.651 nan 8.150 nan 0.000 0.449 267 D N -0.224 120.197 120.400 0.034 0.000 2.218 267 D HA 0.015 4.655 4.640 0.000 0.000 0.204 267 D C 2.058 178.335 176.300 -0.038 0.000 0.976 267 D CA 1.238 55.264 54.000 0.043 0.000 0.853 267 D CB -0.218 40.661 40.800 0.132 0.000 0.939 267 D HN 0.463 nan 8.370 nan 0.000 0.481 268 A N 0.166 122.939 122.820 -0.079 0.000 2.125 268 A HA -0.094 4.227 4.320 0.000 0.000 0.219 268 A C 2.079 179.528 177.584 -0.225 0.000 1.156 268 A CA 0.548 52.441 52.037 -0.240 0.000 0.671 268 A CB -0.647 18.123 19.000 -0.383 0.000 0.794 268 A HN 0.250 nan 8.150 nan 0.000 0.459 269 L N -0.131 121.002 121.223 -0.150 0.000 2.189 269 L HA -0.192 4.148 4.340 0.000 0.000 0.214 269 L C 2.683 179.484 176.870 -0.114 0.000 1.097 269 L CA 1.844 56.608 54.840 -0.127 0.000 0.764 269 L CB -0.593 41.400 42.059 -0.110 0.000 0.900 269 L HN 0.694 nan 8.230 nan 0.000 0.436 270 T N -4.894 109.595 114.554 -0.109 0.000 3.040 270 T HA 0.147 4.497 4.350 0.000 0.000 0.250 270 T C 1.201 175.825 174.700 -0.125 0.000 1.058 270 T CA -0.093 61.953 62.100 -0.091 0.000 0.988 270 T CB 0.184 69.019 68.868 -0.054 0.000 0.993 270 T HN 0.246 nan 8.240 nan 0.000 0.519 271 M N -0.001 119.480 119.600 -0.199 0.000 2.412 271 M HA 0.420 4.900 4.480 0.000 0.000 0.315 271 M C 1.499 177.547 176.300 -0.419 0.000 1.092 271 M CA -0.446 54.698 55.300 -0.261 0.000 0.974 271 M CB 0.469 32.909 32.600 -0.266 0.000 1.437 271 M HN -0.037 nan 8.290 nan 0.000 0.524 272 K N 1.670 121.802 120.400 -0.447 0.000 2.059 272 K HA -0.198 4.122 4.320 0.000 0.000 0.212 272 K C 1.429 177.775 176.600 -0.422 0.000 1.050 272 K CA 1.721 57.627 56.287 -0.635 0.000 0.927 272 K CB -0.199 32.130 32.500 -0.285 0.000 0.714 272 K HN 0.516 nan 8.250 nan 0.000 0.447 273 E N -0.167 119.908 120.200 -0.208 0.000 2.209 273 E HA -0.136 4.214 4.350 0.000 0.000 0.196 273 E C 1.705 178.187 176.600 -0.196 0.000 0.993 273 E CA 1.364 57.691 56.400 -0.122 0.000 0.819 273 E CB 0.125 29.783 29.700 -0.070 0.000 0.745 273 E HN 0.311 nan 8.360 nan 0.000 0.477 274 T N 0.373 114.785 114.554 -0.237 0.000 2.925 274 T HA -0.023 4.328 4.350 0.000 0.000 0.245 274 T C 1.655 176.207 174.700 -0.247 0.000 1.025 274 T CA 0.017 61.992 62.100 -0.208 0.000 1.149 274 T CB -0.118 68.653 68.868 -0.162 0.000 0.866 274 T HN -0.009 nan 8.240 nan 0.000 0.437 275 L N 1.025 122.017 121.223 -0.385 0.000 2.043 275 L HA -0.009 4.332 4.340 0.000 0.000 0.212 275 L C 1.287 178.043 176.870 -0.191 0.000 1.075 275 L CA 1.818 56.403 54.840 -0.427 0.000 0.752 275 L CB -0.692 40.877 42.059 -0.817 0.000 0.891 275 L HN 0.244 nan 8.230 nan 0.000 0.432 276 F N -1.759 118.091 119.950 -0.167 0.000 2.693 276 F HA 0.251 4.778 4.527 0.000 0.000 0.303 276 F C 0.640 176.312 175.800 -0.214 0.000 1.097 276 F CA -1.129 56.802 58.000 -0.116 0.000 1.330 276 F CB -0.710 38.282 39.000 -0.013 0.000 1.067 276 F HN 0.004 nan 8.300 nan 0.000 0.565 277 D N 0.649 120.926 120.400 -0.206 0.000 2.427 277 D HA 0.082 4.722 4.640 0.000 0.000 0.226 277 D C 0.897 177.106 176.300 -0.153 0.000 1.076 277 D CA 0.052 53.801 54.000 -0.418 0.000 0.849 277 D CB 1.633 42.125 40.800 -0.514 0.000 1.052 277 D HN -0.009 nan 8.370 nan 0.000 0.515 278 V N 3.927 123.814 119.914 -0.045 0.000 3.383 278 V HA -0.107 4.013 4.120 0.000 0.000 0.272 278 V C 1.708 177.789 176.094 -0.021 0.000 1.181 278 V CA 2.198 64.502 62.300 0.007 0.000 1.171 278 V CB -0.703 31.180 31.823 0.099 0.000 0.800 278 V HN 0.753 nan 8.190 nan 0.000 0.515 279 T N -3.045 111.489 114.554 -0.034 0.000 3.122 279 T HA 0.268 4.618 4.350 0.000 0.000 0.250 279 T C 0.471 175.197 174.700 0.044 0.000 1.067 279 T CA -0.164 61.920 62.100 -0.027 0.000 0.966 279 T CB -0.005 68.855 68.868 -0.012 0.000 1.002 279 T HN 0.452 nan 8.240 nan 0.000 0.542 280 K N 1.283 121.685 120.400 0.003 0.000 2.443 280 K HA 0.592 4.912 4.320 0.000 0.000 0.251 280 K C -0.619 175.988 176.600 0.011 0.000 0.972 280 K CA -0.885 55.431 56.287 0.049 0.000 0.833 280 K CB 2.182 34.666 32.500 -0.026 0.000 1.317 280 K HN 0.260 nan 8.250 nan 0.000 0.441 281 T N -2.438 112.149 114.554 0.056 0.000 2.942 281 T HA 0.518 4.868 4.350 0.000 0.000 0.289 281 T C -0.288 174.429 174.700 0.028 0.000 1.044 281 T CA -0.820 61.299 62.100 0.032 0.000 1.023 281 T CB 1.375 70.281 68.868 0.064 0.000 1.123 281 T HN 0.148 nan 8.240 nan 0.000 0.512 282 V N 2.116 122.054 119.914 0.039 0.000 2.394 282 V HA 0.444 4.564 4.120 0.000 0.000 0.282 282 V C 0.872 177.023 176.094 0.095 0.000 1.031 282 V CA -0.747 61.580 62.300 0.044 0.000 0.881 282 V CB 1.392 33.218 31.823 0.004 0.000 0.982 282 V HN 1.165 nan 8.190 nan 0.000 0.451 283 S N 3.543 119.304 115.700 0.101 0.000 2.626 283 S HA -0.067 4.403 4.470 0.000 0.000 0.303 283 S C 1.084 175.742 174.600 0.097 0.000 1.256 283 S CA 0.307 58.558 58.200 0.086 0.000 1.069 283 S CB 0.354 63.590 63.200 0.061 0.000 0.807 283 S HN 0.820 nan 8.310 nan 0.000 0.500 284 Q N 3.299 123.128 119.800 0.050 0.000 2.378 284 Q HA 0.025 4.365 4.340 0.000 0.000 0.205 284 Q C 1.932 177.924 176.000 -0.013 0.000 0.954 284 Q CA 0.833 56.645 55.803 0.017 0.000 0.901 284 Q CB 0.106 28.834 28.738 -0.016 0.000 0.981 284 Q HN 0.690 nan 8.270 nan 0.000 0.483 285 K N 0.515 120.902 120.400 -0.022 0.000 2.062 285 K HA -0.123 4.197 4.320 0.000 0.000 0.205 285 K C 1.743 178.277 176.600 -0.111 0.000 1.051 285 K CA 1.081 57.336 56.287 -0.053 0.000 0.941 285 K CB 0.144 32.619 32.500 -0.042 0.000 0.719 285 K HN 0.191 nan 8.250 nan 0.000 0.440 286 E N -0.528 119.588 120.200 -0.140 0.000 2.072 286 E HA -0.125 4.225 4.350 0.000 0.000 0.191 286 E C -0.202 176.006 176.600 -0.654 0.000 0.985 286 E CA 1.019 57.197 56.400 -0.369 0.000 0.801 286 E CB 0.174 29.684 29.700 -0.318 0.000 0.750 286 E HN 0.228 nan 8.360 nan 0.000 0.452 287 Y N 0.489 120.766 120.300 -0.038 0.000 2.681 287 Y HA 0.251 4.802 4.550 0.000 0.000 0.347 287 Y C -2.290 173.564 175.900 -0.077 0.000 1.029 287 Y CA -2.922 55.147 58.100 -0.052 0.000 1.279 287 Y CB 0.950 39.381 38.460 -0.048 0.000 1.096 287 Y HN -0.011 nan 8.280 nan 0.000 0.580 288 P HA 0.056 nan 4.420 nan 0.000 0.272 288 P C -0.146 177.109 177.300 -0.075 0.000 1.230 288 P CA -0.145 62.928 63.100 -0.046 0.000 0.788 288 P CB 1.611 33.280 31.700 -0.051 0.000 0.949 289 L N 1.817 122.967 121.223 -0.122 0.000 2.453 289 L HA 0.243 4.583 4.340 0.000 0.000 0.272 289 L C 0.735 177.543 176.870 -0.104 0.000 1.182 289 L CA 0.026 54.771 54.840 -0.159 0.000 0.858 289 L CB -0.247 41.694 42.059 -0.197 0.000 1.120 289 L HN 0.255 nan 8.230 nan 0.000 0.474 290 I N 2.764 123.269 120.570 -0.109 0.000 2.410 290 I HA 0.202 4.372 4.170 0.000 0.000 0.286 290 I C 0.217 176.306 176.117 -0.047 0.000 1.009 290 I CA -0.502 60.752 61.300 -0.077 0.000 1.111 290 I CB 1.822 39.755 38.000 -0.112 0.000 1.262 290 I HN 0.640 nan 8.210 nan 0.000 0.443 291 E N 4.302 124.494 120.200 -0.015 0.000 2.414 291 E HA 0.104 4.454 4.350 0.000 0.000 0.263 291 E C -0.059 176.573 176.600 0.054 0.000 1.000 291 E CA -0.007 56.404 56.400 0.018 0.000 0.914 291 E CB 1.267 30.980 29.700 0.022 0.000 0.948 291 E HN 0.480 nan 8.360 nan 0.000 0.444 292 V N 3.018 122.996 119.914 0.106 0.000 2.854 292 V HA 0.373 4.493 4.120 0.000 0.000 0.236 292 V C 0.790 177.009 176.094 0.209 0.000 1.157 292 V CA 0.771 63.178 62.300 0.179 0.000 1.187 292 V CB 0.695 32.677 31.823 0.265 0.000 0.949 292 V HN 0.828 nan 8.190 nan 0.000 0.488 293 G N -0.815 108.128 108.800 0.239 0.000 2.427 293 G HA2 0.483 4.443 3.960 0.000 0.000 0.306 293 G HA3 0.483 4.443 3.960 0.000 0.000 0.306 293 G C -1.465 173.403 174.900 -0.053 0.000 1.280 293 G CA -0.025 45.041 45.100 -0.056 0.000 0.837 293 G HN -0.057 nan 8.290 nan 0.000 0.482 294 T N 0.944 115.288 114.554 -0.349 0.000 2.861 294 T HA 0.595 4.945 4.350 0.000 0.000 0.287 294 T C -0.235 174.509 174.700 0.074 0.000 1.003 294 T CA -0.332 61.765 62.100 -0.006 0.000 0.977 294 T CB 1.477 70.357 68.868 0.021 0.000 0.996 294 T HN 0.677 nan 8.240 nan 0.000 0.448 295 M N 3.001 122.895 119.600 0.490 0.000 2.268 295 M HA 0.567 5.047 4.480 0.000 0.000 0.344 295 M C -1.250 175.326 176.300 0.461 0.000 1.106 295 M CA -0.078 55.578 55.300 0.594 0.000 1.010 295 M CB 0.905 33.960 32.600 0.759 0.000 1.649 295 M HN 0.498 nan 8.290 nan 0.000 0.443 296 T N 5.431 120.173 114.554 0.314 0.000 2.881 296 T HA 0.530 4.880 4.350 0.000 0.000 0.290 296 T C -1.112 173.681 174.700 0.156 0.000 1.000 296 T CA -0.598 61.651 62.100 0.247 0.000 0.978 296 T CB 1.398 70.358 68.868 0.154 0.000 0.997 296 T HN 0.484 nan 8.240 nan 0.000 0.443 297 L N 4.616 125.947 121.223 0.181 0.000 2.257 297 L HA 0.471 4.811 4.340 0.000 0.000 0.290 297 L C 0.757 177.556 176.870 -0.119 0.000 1.044 297 L CA -0.383 54.496 54.840 0.066 0.000 0.810 297 L CB 0.620 42.785 42.059 0.176 0.000 1.193 297 L HN 0.783 nan 8.230 nan 0.000 0.425 298 N N 1.893 120.393 118.700 -0.334 0.000 2.184 298 N HA 0.184 4.924 4.740 0.000 0.000 0.234 298 N C -0.062 175.152 175.510 -0.493 0.000 1.282 298 N CA -0.453 52.028 53.050 -0.949 0.000 0.877 298 N CB 0.610 38.303 38.487 -1.323 0.000 1.184 298 N HN 0.456 nan 8.380 nan 0.000 0.510 299 R N 0.137 120.554 120.500 -0.139 0.000 2.522 299 R HA 0.315 4.655 4.340 0.000 0.000 0.273 299 R C -1.521 174.856 176.300 0.128 0.000 1.133 299 R CA -0.462 55.640 56.100 0.004 0.000 0.969 299 R CB 1.049 31.355 30.300 0.011 0.000 1.235 299 R HN 0.154 nan 8.270 nan 0.000 0.433 300 N N 3.517 122.288 118.700 0.118 0.000 2.467 300 N HA 0.255 4.995 4.740 0.000 0.000 0.262 300 N C -2.420 173.257 175.510 0.278 0.000 1.234 300 N CA -1.230 51.928 53.050 0.180 0.000 0.952 300 N CB 0.742 39.301 38.487 0.121 0.000 1.158 300 N HN 0.301 nan 8.380 nan 0.000 0.463 301 P HA 0.012 nan 4.420 nan 0.000 0.270 301 P C 0.120 177.554 177.300 0.224 0.000 1.223 301 P CA 0.048 63.331 63.100 0.306 0.000 0.785 301 P CB 0.715 32.569 31.700 0.257 0.000 0.923 302 E N 0.644 120.941 120.200 0.162 0.000 2.122 302 E HA -0.016 4.334 4.350 0.000 0.000 0.190 302 E C 0.293 176.963 176.600 0.118 0.000 0.977 302 E CA 0.953 57.416 56.400 0.106 0.000 0.820 302 E CB 0.111 29.837 29.700 0.044 0.000 0.770 302 E HN 0.342 nan 8.360 nan 0.000 0.462 303 N N -1.039 117.736 118.700 0.124 0.000 2.425 303 N HA -0.040 4.700 4.740 0.000 0.000 0.289 303 N C -0.393 175.226 175.510 0.182 0.000 1.074 303 N CA -0.237 52.905 53.050 0.153 0.000 0.905 303 N CB 0.517 39.079 38.487 0.124 0.000 1.586 303 N HN -0.019 nan 8.380 nan 0.000 0.490 304 Y N 4.248 124.623 120.300 0.125 0.000 2.114 304 Y HA -0.195 4.355 4.550 0.000 0.000 0.284 304 Y C 1.826 177.793 175.900 0.113 0.000 1.143 304 Y CA 1.870 60.045 58.100 0.125 0.000 1.135 304 Y CB -0.192 38.344 38.460 0.127 0.000 0.980 304 Y HN 0.667 nan 8.280 nan 0.000 0.499 305 F N 0.479 120.544 119.950 0.192 0.000 2.069 305 F HA -0.215 4.313 4.527 0.000 0.000 0.298 305 F C 2.373 178.138 175.800 -0.058 0.000 1.113 305 F CA 1.900 59.947 58.000 0.078 0.000 1.214 305 F CB -0.879 38.186 39.000 0.109 0.000 0.978 305 F HN 0.094 nan 8.300 nan 0.000 0.474 306 A N -0.486 122.399 122.820 0.108 0.000 1.933 306 A HA -0.178 4.142 4.320 0.000 0.000 0.218 306 A C 2.048 179.494 177.584 -0.230 0.000 1.175 306 A CA 2.111 54.125 52.037 -0.038 0.000 0.628 306 A CB -0.623 18.399 19.000 0.037 0.000 0.814 306 A HN 0.607 nan 8.150 nan 0.000 0.444 307 E N -1.175 118.878 120.200 -0.244 0.000 2.134 307 E HA 0.043 4.393 4.350 0.000 0.000 0.194 307 E C 1.956 178.314 176.600 -0.403 0.000 0.937 307 E CA 0.677 56.848 56.400 -0.381 0.000 0.874 307 E CB -0.030 29.482 29.700 -0.314 0.000 0.853 307 E HN 0.288 nan 8.360 nan 0.000 0.471 308 V N 1.557 121.251 119.914 -0.368 0.000 2.379 308 V HA -0.180 3.940 4.120 0.000 0.000 0.245 308 V C 2.259 178.080 176.094 -0.455 0.000 1.044 308 V CA 1.896 63.954 62.300 -0.403 0.000 1.036 308 V CB -0.280 31.014 31.823 -0.882 0.000 0.664 308 V HN 0.163 nan 8.190 nan 0.000 0.453 309 E N 0.408 120.261 120.200 -0.578 0.000 2.112 309 E HA -0.155 4.196 4.350 0.000 0.000 0.190 309 E C 2.179 178.507 176.600 -0.453 0.000 0.979 309 E CA 1.242 57.373 56.400 -0.449 0.000 0.814 309 E CB -0.150 29.242 29.700 -0.512 0.000 0.762 309 E HN 0.629 nan 8.360 nan 0.000 0.460 310 Q N -0.342 119.133 119.800 -0.540 0.000 2.425 310 Q HA 0.126 4.466 4.340 0.000 0.000 0.204 310 Q C 0.153 175.912 176.000 -0.402 0.000 0.933 310 Q CA -0.095 55.434 55.803 -0.457 0.000 0.939 310 Q CB 0.788 29.252 28.738 -0.456 0.000 1.044 310 Q HN 0.142 nan 8.270 nan 0.000 0.513 311 V N 2.057 121.721 119.914 -0.417 0.000 2.872 311 V HA 0.045 4.165 4.120 0.000 0.000 0.307 311 V C -0.019 175.735 176.094 -0.567 0.000 1.072 311 V CA 0.556 62.541 62.300 -0.525 0.000 1.148 311 V CB 1.225 32.725 31.823 -0.538 0.000 0.954 311 V HN 0.343 nan 8.190 nan 0.000 0.490 312 T N 4.577 118.688 114.554 -0.739 0.000 2.840 312 T HA 0.658 5.009 4.350 0.000 0.000 0.287 312 T C -0.947 173.311 174.700 -0.737 0.000 0.991 312 T CA -0.416 61.174 62.100 -0.850 0.000 0.964 312 T CB 0.762 68.922 68.868 -1.181 0.000 0.954 312 T HN 0.359 nan 8.240 nan 0.000 0.438 313 F N 1.395 121.254 119.950 -0.151 0.000 2.507 313 F HA 0.779 5.307 4.527 0.000 0.000 0.327 313 F C 0.768 176.640 175.800 0.121 0.000 1.068 313 F CA -0.814 57.138 58.000 -0.080 0.000 0.965 313 F CB 2.411 41.315 39.000 -0.159 0.000 1.192 313 F HN 0.684 nan 8.300 nan 0.000 0.476 314 S N 1.775 117.510 115.700 0.060 0.000 2.603 314 S HA 0.394 4.864 4.470 0.000 0.000 0.274 314 S C -2.452 171.877 174.600 -0.452 0.000 1.168 314 S CA -1.270 56.801 58.200 -0.214 0.000 0.963 314 S CB 1.715 64.890 63.200 -0.041 0.000 1.078 314 S HN 0.241 nan 8.310 nan 0.000 0.477 315 P HA 0.085 nan 4.420 nan 0.000 0.225 315 P C 1.226 178.101 177.300 -0.709 0.000 1.148 315 P CA 0.849 63.618 63.100 -0.551 0.000 0.779 315 P CB 0.001 31.458 31.700 -0.404 0.000 0.780 316 G N -1.185 107.289 108.800 -0.543 0.000 2.920 316 G HA2 -0.087 3.873 3.960 0.000 0.000 0.208 316 G HA3 -0.087 3.873 3.960 0.000 0.000 0.208 316 G C 0.490 175.099 174.900 -0.485 0.000 1.159 316 G CA -0.156 44.645 45.100 -0.499 0.000 0.784 316 G HN 0.312 nan 8.290 nan 0.000 0.535 317 N N 0.793 119.212 118.700 -0.468 0.000 2.968 317 N HA 0.313 5.053 4.740 0.000 0.000 0.271 317 N C -0.801 174.611 175.510 -0.163 0.000 1.174 317 N CA -0.431 52.479 53.050 -0.234 0.000 1.096 317 N CB 0.206 38.584 38.487 -0.182 0.000 1.403 317 N HN 0.125 nan 8.380 nan 0.000 0.522 318 F N 0.429 120.452 119.950 0.122 0.000 2.380 318 F HA 0.458 4.985 4.527 0.000 0.000 0.319 318 F C 0.939 176.793 175.800 0.089 0.000 1.113 318 F CA -0.995 57.108 58.000 0.172 0.000 1.056 318 F CB 0.795 39.863 39.000 0.114 0.000 1.289 318 F HN -0.060 nan 8.300 nan 0.000 0.515 319 V N -1.473 118.579 119.914 0.230 0.000 3.040 319 V HA 0.578 4.698 4.120 0.000 0.000 0.312 319 V C -2.907 173.196 176.094 0.015 0.000 1.115 319 V CA -3.176 59.166 62.300 0.070 0.000 0.998 319 V CB 1.439 33.254 31.823 -0.013 0.000 1.042 319 V HN 0.415 nan 8.190 nan 0.000 0.433 320 P HA 0.316 nan 4.420 nan 0.000 0.261 320 P C 0.974 178.217 177.300 -0.096 0.000 1.173 320 P CA 2.045 65.123 63.100 -0.038 0.000 0.760 320 P CB 0.530 32.214 31.700 -0.028 0.000 0.783 321 G N 2.582 111.314 108.800 -0.113 0.000 2.238 321 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 321 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 321 G C -0.017 174.773 174.900 -0.184 0.000 0.996 321 G CA -0.374 44.621 45.100 -0.174 0.000 0.632 321 G HN 0.491 nan 8.290 nan 0.000 0.503 322 I N 1.345 121.836 120.570 -0.133 0.000 2.436 322 I HA 0.611 4.781 4.170 0.000 0.000 0.289 322 I C -0.244 175.742 176.117 -0.217 0.000 1.010 322 I CA -0.711 60.583 61.300 -0.010 0.000 1.098 322 I CB 1.886 39.894 38.000 0.014 0.000 1.266 322 I HN 0.157 nan 8.210 nan 0.000 0.434 323 E N 3.444 123.454 120.200 -0.317 0.000 2.445 323 E HA 0.749 5.099 4.350 0.000 0.000 0.273 323 E C -0.909 175.317 176.600 -0.623 0.000 0.961 323 E CA -1.083 54.843 56.400 -0.789 0.000 0.807 323 E CB 1.999 31.453 29.700 -0.411 0.000 1.362 323 E HN 0.628 nan 8.360 nan 0.000 0.453 324 A N 0.838 123.290 122.820 -0.613 0.000 2.332 324 A HA 0.521 4.842 4.320 0.000 0.000 0.258 324 A C 0.069 177.550 177.584 -0.172 0.000 1.087 324 A CA -0.199 51.777 52.037 -0.102 0.000 0.802 324 A CB 0.455 19.498 19.000 0.072 0.000 1.042 324 A HN 0.526 nan 8.150 nan 0.000 0.489 325 S N 0.193 115.788 115.700 -0.174 0.000 2.739 325 S HA 0.653 5.123 4.470 0.000 0.000 0.306 325 S C -2.556 171.786 174.600 -0.431 0.000 1.115 325 S CA -1.300 56.726 58.200 -0.290 0.000 0.985 325 S CB 1.308 64.427 63.200 -0.136 0.000 1.133 325 S HN 0.322 nan 8.310 nan 0.000 0.541 326 P HA 0.135 nan 4.420 nan 0.000 0.252 326 P C -0.429 176.648 177.300 -0.372 0.000 1.265 326 P CA 0.158 62.919 63.100 -0.565 0.000 0.775 326 P CB -0.273 31.012 31.700 -0.691 0.000 1.128 327 D N 0.872 121.077 120.400 -0.325 0.000 2.451 327 D HA -0.080 4.560 4.640 0.000 0.000 0.254 327 D C 0.972 177.274 176.300 0.002 0.000 1.204 327 D CA 0.499 54.477 54.000 -0.037 0.000 0.896 327 D CB 0.761 41.513 40.800 -0.080 0.000 1.136 327 D HN 0.075 nan 8.370 nan 0.000 0.499 328 K N 3.028 123.533 120.400 0.176 0.000 2.103 328 K HA -0.183 4.137 4.320 0.000 0.000 0.207 328 K C 1.784 178.446 176.600 0.103 0.000 1.048 328 K CA 0.663 57.027 56.287 0.128 0.000 0.930 328 K CB 0.064 32.657 32.500 0.155 0.000 0.716 328 K HN 0.349 nan 8.250 nan 0.000 0.444 329 L N 1.351 122.659 121.223 0.142 0.000 2.056 329 L HA -0.116 4.224 4.340 0.000 0.000 0.207 329 L C 2.012 178.846 176.870 -0.060 0.000 1.078 329 L CA 1.280 56.195 54.840 0.126 0.000 0.749 329 L CB -0.314 41.904 42.059 0.265 0.000 0.901 329 L HN 0.181 nan 8.230 nan 0.000 0.433 330 L N -1.031 119.976 121.223 -0.360 0.000 2.012 330 L HA -0.253 4.087 4.340 0.000 0.000 0.210 330 L C 2.609 179.357 176.870 -0.203 0.000 1.073 330 L CA 1.500 55.963 54.840 -0.628 0.000 0.748 330 L CB -0.409 41.103 42.059 -0.912 0.000 0.891 330 L HN 0.445 nan 8.230 nan 0.000 0.431 331 Q N -0.376 119.358 119.800 -0.109 0.000 2.077 331 Q HA -0.215 4.125 4.340 0.000 0.000 0.206 331 Q C 2.026 178.055 176.000 0.048 0.000 0.989 331 Q CA 1.915 57.714 55.803 -0.007 0.000 0.853 331 Q CB -0.670 28.072 28.738 0.005 0.000 0.907 331 Q HN 0.674 nan 8.270 nan 0.000 0.418 332 G N 0.843 109.675 108.800 0.055 0.000 2.422 332 G HA2 -0.253 3.708 3.960 0.000 0.000 0.218 332 G HA3 -0.253 3.708 3.960 0.000 0.000 0.218 332 G C 1.505 176.484 174.900 0.131 0.000 1.146 332 G CA 0.481 45.649 45.100 0.113 0.000 0.769 332 G HN 0.283 nan 8.290 nan 0.000 0.547 333 R N -0.101 120.437 120.500 0.064 0.000 2.152 333 R HA 0.092 4.433 4.340 0.000 0.000 0.232 333 R C 2.478 178.846 176.300 0.113 0.000 1.117 333 R CA 0.566 56.741 56.100 0.125 0.000 0.981 333 R CB -0.420 29.910 30.300 0.050 0.000 0.870 333 R HN 0.337 nan 8.270 nan 0.000 0.451 334 L N -0.239 121.026 121.223 0.070 0.000 2.127 334 L HA -0.195 4.145 4.340 0.000 0.000 0.211 334 L C 2.208 179.157 176.870 0.132 0.000 1.089 334 L CA 1.134 56.020 54.840 0.076 0.000 0.757 334 L CB -0.370 41.764 42.059 0.125 0.000 0.899 334 L HN 0.179 nan 8.230 nan 0.000 0.434 335 F N 0.526 120.500 119.950 0.039 0.000 2.188 335 F HA 0.105 4.632 4.527 0.000 0.000 0.289 335 F C 2.466 178.277 175.800 0.018 0.000 1.082 335 F CA 0.684 58.700 58.000 0.027 0.000 1.282 335 F CB -0.557 38.456 39.000 0.022 0.000 1.060 335 F HN -0.074 nan 8.300 nan 0.000 0.493 336 A N 0.418 123.032 122.820 -0.343 0.000 1.896 336 A HA -0.286 4.034 4.320 0.000 0.000 0.220 336 A C 2.108 179.390 177.584 -0.504 0.000 1.206 336 A CA 2.412 54.149 52.037 -0.500 0.000 0.647 336 A CB -1.761 17.107 19.000 -0.220 0.000 0.828 336 A HN 0.581 nan 8.150 nan 0.000 0.455 337 Y N -0.279 119.759 120.300 -0.436 0.000 2.114 337 Y HA -0.037 4.514 4.550 0.000 0.000 0.284 337 Y C 2.908 178.254 175.900 -0.923 0.000 1.143 337 Y CA 0.945 58.707 58.100 -0.563 0.000 1.135 337 Y CB -1.250 36.972 38.460 -0.397 0.000 0.980 337 Y HN 0.303 nan 8.280 nan 0.000 0.499 338 G N -0.575 107.950 108.800 -0.459 0.000 2.442 338 G HA2 -0.351 3.609 3.960 0.000 0.000 0.219 338 G HA3 -0.351 3.609 3.960 0.000 0.000 0.219 338 G C 1.289 176.004 174.900 -0.309 0.000 1.141 338 G CA 1.443 46.334 45.100 -0.348 0.000 0.763 338 G HN 0.449 nan 8.290 nan 0.000 0.554 339 D N 0.602 120.741 120.400 -0.434 0.000 2.117 339 D HA 0.046 4.686 4.640 0.000 0.000 0.197 339 D C 2.692 178.855 176.300 -0.227 0.000 0.987 339 D CA 1.469 55.247 54.000 -0.370 0.000 0.829 339 D CB -0.351 39.988 40.800 -0.768 0.000 0.961 339 D HN 0.233 nan 8.370 nan 0.000 0.460 340 A N -0.518 122.118 122.820 -0.307 0.000 1.902 340 A HA -0.204 4.116 4.320 0.000 0.000 0.217 340 A C 1.980 179.579 177.584 0.025 0.000 1.181 340 A CA 1.792 53.743 52.037 -0.142 0.000 0.623 340 A CB -1.138 17.726 19.000 -0.226 0.000 0.818 340 A HN 0.521 nan 8.150 nan 0.000 0.443 341 H N -0.781 118.264 119.070 -0.042 0.000 2.352 341 H HA -0.100 4.456 4.556 0.000 0.000 0.299 341 H C 2.399 177.717 175.328 -0.015 0.000 1.097 341 H CA 1.273 57.301 56.048 -0.032 0.000 1.311 341 H CB -0.038 29.705 29.762 -0.032 0.000 1.377 341 H HN 0.420 nan 8.280 nan 0.000 0.504 342 R N -0.297 120.280 120.500 0.127 0.000 2.120 342 R HA -0.149 4.191 4.340 0.000 0.000 0.234 342 R C 2.131 178.488 176.300 0.094 0.000 1.123 342 R CA 1.483 57.639 56.100 0.093 0.000 0.975 342 R CB -0.202 30.144 30.300 0.077 0.000 0.866 342 R HN 0.475 nan 8.270 nan 0.000 0.446 343 H N 0.600 119.679 119.070 0.015 0.000 2.355 343 H HA 0.048 4.604 4.556 0.000 0.000 0.303 343 H C 2.183 177.520 175.328 0.014 0.000 1.061 343 H CA 1.394 57.449 56.048 0.012 0.000 1.368 343 H CB 0.136 29.899 29.762 0.001 0.000 1.412 343 H HN -0.049 nan 8.280 nan 0.000 0.523 344 R N -0.198 120.234 120.500 -0.113 0.000 2.073 344 R HA -0.036 4.304 4.340 0.000 0.000 0.229 344 R C 1.348 177.569 176.300 -0.132 0.000 1.120 344 R CA 1.749 57.753 56.100 -0.161 0.000 0.967 344 R CB 0.120 30.417 30.300 -0.004 0.000 0.862 344 R HN 0.322 nan 8.270 nan 0.000 0.436 345 V N -1.459 118.409 119.914 -0.078 0.000 2.854 345 V HA 0.414 4.534 4.120 0.000 0.000 0.236 345 V C 0.756 176.816 176.094 -0.058 0.000 1.157 345 V CA 0.690 62.940 62.300 -0.084 0.000 1.187 345 V CB 0.816 32.571 31.823 -0.113 0.000 0.949 345 V HN 0.620 nan 8.190 nan 0.000 0.488 346 G N -1.164 107.622 108.800 -0.023 0.000 2.347 346 G HA2 0.397 4.357 3.960 0.000 0.000 0.321 346 G HA3 0.397 4.357 3.960 0.000 0.000 0.321 346 G C 0.279 175.200 174.900 0.035 0.000 1.412 346 G CA -0.038 45.062 45.100 -0.001 0.000 0.990 346 G HN 0.459 nan 8.290 nan 0.000 0.637 347 A N -0.154 122.697 122.820 0.052 0.000 1.978 347 A HA 0.005 4.325 4.320 0.000 0.000 0.220 347 A C 1.564 179.226 177.584 0.130 0.000 1.170 347 A CA 2.041 54.131 52.037 0.089 0.000 0.636 347 A CB -0.244 18.806 19.000 0.083 0.000 0.810 347 A HN 0.604 nan 8.150 nan 0.000 0.448 348 N N -0.002 118.726 118.700 0.047 0.000 2.376 348 N HA 0.035 4.776 4.740 0.000 0.000 0.249 348 N C 1.219 176.581 175.510 -0.246 0.000 1.140 348 N CA 0.756 53.752 53.050 -0.089 0.000 0.870 348 N CB 0.351 38.780 38.487 -0.097 0.000 1.124 348 N HN 0.603 nan 8.380 nan 0.000 0.505 349 S N 0.594 116.239 115.700 -0.091 0.000 2.419 349 S HA -0.197 4.273 4.470 0.000 0.000 0.235 349 S C 1.693 176.181 174.600 -0.187 0.000 1.019 349 S CA 0.776 58.892 58.200 -0.140 0.000 0.982 349 S CB -0.673 62.463 63.200 -0.107 0.000 0.789 349 S HN 0.547 nan 8.310 nan 0.000 0.490 350 H N 0.827 119.840 119.070 -0.094 0.000 2.545 350 H HA 0.116 4.672 4.556 0.000 0.000 0.282 350 H C 1.459 176.731 175.328 -0.092 0.000 1.020 350 H CA 1.132 57.121 56.048 -0.098 0.000 1.243 350 H CB -0.520 29.206 29.762 -0.059 0.000 1.377 350 H HN 0.558 nan 8.280 nan 0.000 0.581 351 Q N 0.754 120.212 119.800 -0.570 0.000 2.424 351 Q HA 0.228 4.568 4.340 0.000 0.000 0.204 351 Q C 0.453 176.279 176.000 -0.290 0.000 0.933 351 Q CA -0.196 55.386 55.803 -0.369 0.000 0.929 351 Q CB 0.585 29.111 28.738 -0.353 0.000 1.037 351 Q HN 0.408 nan 8.270 nan 0.000 0.511 352 L N 1.718 122.778 121.223 -0.272 0.000 2.416 352 L HA 0.034 4.374 4.340 0.000 0.000 0.272 352 L C -1.537 175.183 176.870 -0.250 0.000 1.161 352 L CA -1.445 53.237 54.840 -0.263 0.000 0.845 352 L CB 0.161 42.076 42.059 -0.240 0.000 1.119 352 L HN -0.116 nan 8.230 nan 0.000 0.464 353 P HA -0.274 nan 4.420 nan 0.000 0.219 353 P C 1.605 178.765 177.300 -0.234 0.000 1.161 353 P CA 1.349 64.307 63.100 -0.238 0.000 0.909 353 P CB 0.165 31.727 31.700 -0.230 0.000 0.793 354 I N -1.119 119.285 120.570 -0.276 0.000 2.567 354 I HA -0.177 3.994 4.170 0.000 0.000 0.257 354 I C 1.217 177.191 176.117 -0.237 0.000 1.184 354 I CA 1.697 62.794 61.300 -0.337 0.000 1.451 354 I CB -0.545 37.142 38.000 -0.521 0.000 1.089 354 I HN -0.081 nan 8.210 nan 0.000 0.441 355 N N -0.083 118.485 118.700 -0.221 0.000 2.254 355 N HA 0.072 4.812 4.740 0.000 0.000 0.190 355 N C 0.226 175.702 175.510 -0.056 0.000 1.107 355 N CA 0.042 52.985 53.050 -0.179 0.000 0.869 355 N CB 0.068 38.413 38.487 -0.237 0.000 0.983 355 N HN 0.498 nan 8.380 nan 0.000 0.487 356 Q N 0.671 120.443 119.800 -0.047 0.000 2.361 356 Q HA 0.328 4.668 4.340 0.000 0.000 0.276 356 Q C -0.008 176.043 176.000 0.085 0.000 1.022 356 Q CA -0.051 55.747 55.803 -0.009 0.000 0.898 356 Q CB 0.829 29.524 28.738 -0.072 0.000 1.246 356 Q HN 0.192 nan 8.270 nan 0.000 0.410 357 A N 2.118 124.983 122.820 0.075 0.000 2.322 357 A HA 0.106 4.426 4.320 0.000 0.000 0.269 357 A C 0.732 178.370 177.584 0.090 0.000 1.094 357 A CA -0.305 51.798 52.037 0.110 0.000 0.807 357 A CB 0.732 19.767 19.000 0.058 0.000 1.047 357 A HN 0.921 nan 8.150 nan 0.000 0.487 358 K N 1.321 121.800 120.400 0.132 0.000 2.076 358 K HA 0.110 4.430 4.320 0.000 0.000 0.204 358 K C 0.939 177.566 176.600 0.045 0.000 1.051 358 K CA 1.027 57.353 56.287 0.064 0.000 0.949 358 K CB -0.147 32.413 32.500 0.099 0.000 0.726 358 K HN 0.837 nan 8.250 nan 0.000 0.443 359 A N 2.968 125.822 122.820 0.057 0.000 2.425 359 A HA 0.240 4.560 4.320 0.000 0.000 0.242 359 A C -2.256 175.341 177.584 0.022 0.000 1.077 359 A CA -1.250 50.809 52.037 0.036 0.000 0.781 359 A CB -0.219 18.804 19.000 0.038 0.000 1.020 359 A HN 0.282 nan 8.150 nan 0.000 0.494 360 P HA 0.177 nan 4.420 nan 0.000 0.266 360 P C -0.822 176.476 177.300 -0.004 0.000 1.195 360 P CA 0.091 63.192 63.100 0.002 0.000 0.768 360 P CB 0.627 32.324 31.700 -0.005 0.000 0.838 361 V N 4.623 124.532 119.914 -0.007 0.000 2.334 361 V HA 0.269 4.389 4.120 0.000 0.000 0.281 361 V C 0.034 176.100 176.094 -0.045 0.000 1.016 361 V CA -0.418 61.871 62.300 -0.018 0.000 0.832 361 V CB 0.767 32.594 31.823 0.006 0.000 0.999 361 V HN 0.533 nan 8.190 nan 0.000 0.439 362 N N 5.139 123.794 118.700 -0.074 0.000 2.531 362 N HA 0.482 5.222 4.740 0.000 0.000 0.268 362 N C -0.841 174.549 175.510 -0.199 0.000 1.023 362 N CA -0.290 52.680 53.050 -0.134 0.000 0.896 362 N CB 1.999 40.414 38.487 -0.121 0.000 1.233 362 N HN 0.691 nan 8.380 nan 0.000 0.512 363 N N 0.067 118.613 118.700 -0.255 0.000 3.038 363 N HA 0.406 5.146 4.740 0.000 0.000 0.307 363 N C -0.598 174.627 175.510 -0.476 0.000 1.441 363 N CA -0.471 52.413 53.050 -0.278 0.000 0.772 363 N CB 1.506 39.926 38.487 -0.111 0.000 1.651 363 N HN 0.305 nan 8.380 nan 0.000 0.593 364 Y N 0.045 120.339 120.300 -0.010 0.000 2.588 364 Y HA 0.258 4.809 4.550 0.000 0.000 0.247 364 Y C -0.055 175.853 175.900 0.014 0.000 1.157 364 Y CA -0.247 57.849 58.100 -0.005 0.000 1.215 364 Y CB 0.535 38.992 38.460 -0.004 0.000 1.245 364 Y HN 0.249 nan 8.280 nan 0.000 0.534 365 Q N 1.623 121.481 119.800 0.096 0.000 2.332 365 Q HA 0.248 4.588 4.340 0.000 0.000 0.263 365 Q C -0.291 175.754 176.000 0.075 0.000 0.979 365 Q CA 0.283 56.132 55.803 0.077 0.000 0.885 365 Q CB 0.891 29.646 28.738 0.029 0.000 1.218 365 Q HN -0.001 nan 8.270 nan 0.000 0.405 366 K N 1.955 122.404 120.400 0.082 0.000 2.509 366 K HA 0.307 4.627 4.320 0.000 0.000 0.266 366 K C -0.657 175.985 176.600 0.070 0.000 0.987 366 K CA -0.685 55.647 56.287 0.074 0.000 0.868 366 K CB 1.604 34.147 32.500 0.072 0.000 1.421 366 K HN 0.583 nan 8.250 nan 0.000 0.444 367 D N -0.022 120.414 120.400 0.059 0.000 3.245 367 D HA -0.239 4.401 4.640 0.000 0.000 0.196 367 D C 0.565 176.899 176.300 0.057 0.000 1.370 367 D CA 2.375 56.405 54.000 0.049 0.000 1.087 367 D CB -1.103 39.723 40.800 0.042 0.000 0.612 367 D HN 0.917 nan 8.370 nan 0.000 0.704 368 G N -0.282 108.548 108.800 0.049 0.000 2.699 368 G HA2 0.029 3.989 3.960 0.000 0.000 0.686 368 G HA3 0.029 3.989 3.960 0.000 0.000 0.686 368 G C -0.439 174.484 174.900 0.039 0.000 1.301 368 G CA 0.222 45.352 45.100 0.050 0.000 0.816 368 G HN 0.885 nan 8.290 nan 0.000 0.595 369 N N 0.429 119.149 118.700 0.034 0.000 2.454 369 N HA 0.343 5.083 4.740 0.000 0.000 0.254 369 N C 1.374 176.899 175.510 0.024 0.000 1.228 369 N CA 0.656 53.722 53.050 0.026 0.000 0.900 369 N CB -0.007 38.493 38.487 0.021 0.000 1.089 369 N HN 0.903 nan 8.380 nan 0.000 0.449 370 M N 0.282 119.897 119.600 0.027 0.000 2.212 370 M HA -0.255 4.225 4.480 0.000 0.000 0.193 370 M C -0.406 175.924 176.300 0.050 0.000 0.493 370 M CA 0.537 55.860 55.300 0.040 0.000 0.427 370 M CB -1.721 30.902 32.600 0.038 0.000 1.120 370 M HN 0.637 nan 8.290 nan 0.000 0.929 371 R N 0.434 120.957 120.500 0.039 0.000 2.248 371 R HA 0.230 4.570 4.340 0.000 0.000 0.337 371 R C 0.455 176.791 176.300 0.059 0.000 1.085 371 R CA 0.043 56.170 56.100 0.045 0.000 0.934 371 R CB -0.191 30.129 30.300 0.033 0.000 1.034 371 R HN 0.268 nan 8.270 nan 0.000 0.465 372 F N 2.994 122.912 119.950 -0.055 0.000 2.367 372 F HA 0.161 4.688 4.527 0.000 0.000 0.298 372 F C 0.286 176.063 175.800 -0.037 0.000 1.094 372 F CA 0.907 58.878 58.000 -0.048 0.000 1.409 372 F CB 0.358 39.318 39.000 -0.067 0.000 1.064 372 F HN 0.642 nan 8.300 nan 0.000 0.528 373 N N -0.275 118.488 118.700 0.106 0.000 2.519 373 N HA 0.088 4.828 4.740 0.000 0.000 0.291 373 N C -0.756 174.776 175.510 0.036 0.000 1.107 373 N CA -0.214 52.865 53.050 0.048 0.000 0.904 373 N CB 0.809 39.376 38.487 0.133 0.000 1.500 373 N HN 0.129 nan 8.380 nan 0.000 0.510 374 N N 2.068 120.769 118.700 0.001 0.000 2.250 374 N HA 0.194 4.934 4.740 0.000 0.000 0.190 374 N C 0.633 176.141 175.510 -0.002 0.000 1.116 374 N CA 0.433 53.489 53.050 0.009 0.000 0.881 374 N CB 0.538 39.025 38.487 0.001 0.000 1.006 374 N HN 0.782 nan 8.380 nan 0.000 0.491 375 G N 0.947 109.740 108.800 -0.012 0.000 2.615 375 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 375 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 375 G C -0.071 174.814 174.900 -0.025 0.000 1.339 375 G CA -0.241 44.847 45.100 -0.020 0.000 0.884 375 G HN 0.219 nan 8.290 nan 0.000 0.559 376 N N -0.380 118.302 118.700 -0.030 0.000 2.545 376 N HA 0.214 4.954 4.740 0.000 0.000 0.190 376 N C 1.429 176.918 175.510 -0.035 0.000 1.043 376 N CA 1.014 54.046 53.050 -0.030 0.000 0.879 376 N CB 0.109 38.578 38.487 -0.030 0.000 1.210 376 N HN 0.755 nan 8.380 nan 0.000 0.437 377 S N 0.853 116.526 115.700 -0.045 0.000 2.561 377 S HA -0.055 4.416 4.470 0.000 0.000 0.294 377 S C 0.985 175.555 174.600 -0.051 0.000 1.294 377 S CA 0.309 58.472 58.200 -0.062 0.000 1.055 377 S CB 0.371 63.525 63.200 -0.077 0.000 0.819 377 S HN 0.200 nan 8.310 nan 0.000 0.503 378 E N 2.378 122.532 120.200 -0.077 0.000 2.447 378 E HA 0.123 4.474 4.350 0.000 0.000 0.195 378 E C -0.326 176.250 176.600 -0.040 0.000 1.028 378 E CA 0.261 56.633 56.400 -0.047 0.000 0.876 378 E CB 0.244 29.910 29.700 -0.057 0.000 0.885 378 E HN 0.576 nan 8.360 nan 0.000 0.500 379 I N 2.626 123.124 120.570 -0.119 0.000 2.287 379 I HA 0.059 4.229 4.170 0.000 0.000 0.290 379 I C 0.491 176.600 176.117 -0.013 0.000 1.069 379 I CA -0.041 61.156 61.300 -0.170 0.000 1.237 379 I CB 0.457 38.199 38.000 -0.430 0.000 1.418 379 I HN 0.041 nan 8.210 nan 0.000 0.481 380 N N 5.955 124.717 118.700 0.102 0.000 2.338 380 N HA 0.140 4.880 4.740 0.000 0.000 0.251 380 N C -0.665 174.962 175.510 0.194 0.000 1.199 380 N CA -0.555 52.648 53.050 0.255 0.000 0.879 380 N CB 0.504 39.107 38.487 0.193 0.000 1.159 380 N HN 0.513 nan 8.380 nan 0.000 0.514 381 Y N -1.954 118.279 120.300 -0.112 0.000 2.553 381 Y HA 0.691 5.241 4.550 0.000 0.000 0.347 381 Y C -1.140 174.365 175.900 -0.658 0.000 1.019 381 Y CA -1.253 56.646 58.100 -0.335 0.000 1.032 381 Y CB 1.618 39.997 38.460 -0.135 0.000 1.284 381 Y HN -0.166 nan 8.280 nan 0.000 0.466 382 E N 2.555 122.416 120.200 -0.567 0.000 2.321 382 E HA 0.435 4.785 4.350 0.000 0.000 0.278 382 E C -2.948 173.573 176.600 -0.133 0.000 0.902 382 E CA -1.937 54.173 56.400 -0.483 0.000 0.758 382 E CB 2.240 31.492 29.700 -0.748 0.000 1.213 382 E HN 0.767 nan 8.360 nan 0.000 0.426 383 P HA 0.321 nan 4.420 nan 0.000 0.272 383 P C -0.952 176.392 177.300 0.074 0.000 1.223 383 P CA -0.176 62.922 63.100 -0.003 0.000 0.784 383 P CB 0.480 32.196 31.700 0.026 0.000 0.923 384 N N -2.140 116.587 118.700 0.045 0.000 2.732 384 N HA 0.335 5.075 4.740 0.000 0.000 0.259 384 N C -0.656 174.912 175.510 0.098 0.000 1.402 384 N CA -0.934 52.204 53.050 0.147 0.000 0.829 384 N CB 0.535 38.969 38.487 -0.089 0.000 1.495 384 N HN 0.026 nan 8.380 nan 0.000 0.511 385 S N -0.784 114.929 115.700 0.020 0.000 2.622 385 S HA 0.196 4.666 4.470 0.000 0.000 0.236 385 S C -1.008 173.324 174.600 -0.446 0.000 0.956 385 S CA -0.224 57.834 58.200 -0.237 0.000 0.971 385 S CB -0.893 62.116 63.200 -0.319 0.000 0.782 385 S HN 0.452 nan 8.310 nan 0.000 0.468 386 Y N 0.557 120.859 120.300 0.003 0.000 2.587 386 Y HA 0.305 4.856 4.550 0.000 0.000 0.328 386 Y C 1.542 177.445 175.900 0.005 0.000 0.980 386 Y CA -0.986 57.115 58.100 0.003 0.000 1.272 386 Y CB 0.292 38.748 38.460 -0.007 0.000 1.094 386 Y HN -0.041 nan 8.280 nan 0.000 0.503 387 T N 1.188 115.792 114.554 0.084 0.000 2.760 387 T HA -0.261 4.089 4.350 0.000 0.000 0.269 387 T C 1.510 176.252 174.700 0.070 0.000 1.047 387 T CA 2.426 64.562 62.100 0.059 0.000 1.139 387 T CB 0.068 68.953 68.868 0.029 0.000 0.855 387 T HN 0.802 nan 8.240 nan 0.000 0.471 388 E N 0.994 121.246 120.200 0.087 0.000 2.204 388 E HA -0.034 4.316 4.350 0.000 0.000 0.194 388 E C 1.243 177.873 176.600 0.049 0.000 0.989 388 E CA 0.927 57.364 56.400 0.062 0.000 0.824 388 E CB -0.613 29.126 29.700 0.065 0.000 0.756 388 E HN 0.562 nan 8.360 nan 0.000 0.477 389 T N 0.156 114.757 114.554 0.078 0.000 2.860 389 T HA 0.182 4.532 4.350 0.000 0.000 0.299 389 T C -2.157 172.582 174.700 0.066 0.000 1.045 389 T CA -1.926 60.211 62.100 0.062 0.000 1.071 389 T CB 0.595 69.546 68.868 0.140 0.000 0.985 389 T HN -0.121 nan 8.240 nan 0.000 0.537 390 P HA 0.162 nan 4.420 nan 0.000 0.262 390 P C -0.641 176.736 177.300 0.128 0.000 1.182 390 P CA 0.037 63.132 63.100 -0.009 0.000 0.761 390 P CB 0.399 31.991 31.700 -0.180 0.000 0.795 391 K N 1.974 122.426 120.400 0.087 0.000 2.385 391 K HA 0.248 4.568 4.320 0.000 0.000 0.248 391 K C 0.453 177.095 176.600 0.070 0.000 0.955 391 K CA -0.871 55.474 56.287 0.096 0.000 0.816 391 K CB 2.131 34.671 32.500 0.067 0.000 1.250 391 K HN 0.539 nan 8.250 nan 0.000 0.434 392 E N 0.536 120.777 120.200 0.067 0.000 2.422 392 E HA -0.027 4.323 4.350 0.000 0.000 0.260 392 E C -0.733 175.888 176.600 0.035 0.000 1.108 392 E CA -0.066 56.364 56.400 0.050 0.000 0.943 392 E CB 0.429 30.157 29.700 0.045 0.000 0.961 392 E HN 0.314 nan 8.360 nan 0.000 0.443 393 D N 2.489 122.906 120.400 0.028 0.000 2.438 393 D HA 0.238 4.878 4.640 0.000 0.000 0.257 393 D C -1.978 174.332 176.300 0.016 0.000 1.148 393 D CA -2.782 51.229 54.000 0.019 0.000 0.902 393 D CB 1.384 42.193 40.800 0.016 0.000 1.062 393 D HN 0.126 nan 8.370 nan 0.000 0.518 394 P HA -0.143 nan 4.420 nan 0.000 0.218 394 P C 1.333 178.637 177.300 0.006 0.000 1.146 394 P CA 1.033 64.139 63.100 0.010 0.000 0.820 394 P CB 0.327 32.032 31.700 0.009 0.000 0.778 395 T N -1.168 113.388 114.554 0.004 0.000 2.849 395 T HA -0.116 4.234 4.350 0.000 0.000 0.270 395 T C 1.601 176.299 174.700 -0.004 0.000 1.066 395 T CA 1.455 63.555 62.100 -0.001 0.000 1.130 395 T CB -0.580 68.287 68.868 -0.003 0.000 0.864 395 T HN 0.101 nan 8.240 nan 0.000 0.481 396 A N 0.337 123.158 122.820 0.002 0.000 2.251 396 A HA 0.259 4.580 4.320 0.000 0.000 0.209 396 A C 0.884 178.470 177.584 0.003 0.000 1.187 396 A CA -0.035 52.002 52.037 0.002 0.000 0.823 396 A CB -0.100 18.907 19.000 0.011 0.000 0.846 396 A HN 0.360 nan 8.150 nan 0.000 0.486 397 K N 0.788 121.190 120.400 0.003 0.000 2.469 397 K HA 0.205 4.525 4.320 0.000 0.000 0.274 397 K C 0.419 177.016 176.600 -0.004 0.000 0.983 397 K CA 0.127 56.417 56.287 0.005 0.000 0.974 397 K CB 0.378 32.881 32.500 0.004 0.000 0.913 397 K HN 0.608 nan 8.250 nan 0.000 0.493 398 I N -0.797 119.773 120.570 -0.000 0.000 3.004 398 I HA 0.096 4.266 4.170 0.000 0.000 0.287 398 I C 0.287 176.404 176.117 -0.000 0.000 1.144 398 I CA -0.628 60.664 61.300 -0.013 0.000 1.353 398 I CB 1.138 39.135 38.000 -0.005 0.000 1.417 398 I HN 0.506 nan 8.210 nan 0.000 0.602 399 S N 3.353 119.043 115.700 -0.017 0.000 2.549 399 S HA 0.252 4.722 4.470 0.000 0.000 0.279 399 S C 0.231 174.880 174.600 0.083 0.000 1.321 399 S CA -0.466 57.730 58.200 -0.006 0.000 1.054 399 S CB 0.606 63.761 63.200 -0.075 0.000 0.899 399 S HN 0.878 nan 8.310 nan 0.000 0.497 400 S N 2.567 118.308 115.700 0.068 0.000 2.580 400 S HA 0.685 5.155 4.470 0.000 0.000 0.274 400 S C -0.368 174.341 174.600 0.182 0.000 1.329 400 S CA -0.871 57.374 58.200 0.075 0.000 1.036 400 S CB -0.216 62.983 63.200 -0.001 0.000 0.919 400 S HN 1.001 nan 8.310 nan 0.000 0.515 401 F N -1.411 118.528 119.950 -0.017 0.000 2.613 401 F HA 0.675 5.202 4.527 0.000 0.000 0.314 401 F C -0.423 175.418 175.800 0.070 0.000 1.075 401 F CA -1.487 56.534 58.000 0.036 0.000 0.945 401 F CB 0.938 39.943 39.000 0.008 0.000 1.310 401 F HN 0.684 nan 8.300 nan 0.000 0.467 402 E N 1.243 121.579 120.200 0.227 0.000 2.373 402 E HA 0.449 4.799 4.350 0.000 0.000 0.267 402 E C -1.501 175.135 176.600 0.060 0.000 1.032 402 E CA -0.568 55.885 56.400 0.088 0.000 0.889 402 E CB 1.577 31.355 29.700 0.129 0.000 0.984 402 E HN 0.698 nan 8.360 nan 0.000 0.425 403 V N 4.109 124.004 119.914 -0.032 0.000 2.628 403 V HA 0.405 4.525 4.120 0.000 0.000 0.306 403 V C -0.961 175.134 176.094 0.002 0.000 1.045 403 V CA -0.352 61.934 62.300 -0.023 0.000 0.905 403 V CB 1.718 33.484 31.823 -0.095 0.000 0.997 403 V HN 0.775 nan 8.190 nan 0.000 0.436 404 E N 3.210 123.415 120.200 0.009 0.000 2.369 404 E HA 0.649 4.999 4.350 0.000 0.000 0.270 404 E C 0.176 176.775 176.600 -0.003 0.000 0.909 404 E CA 0.121 56.525 56.400 0.006 0.000 0.775 404 E CB 2.089 31.796 29.700 0.012 0.000 1.270 404 E HN 1.227 nan 8.360 nan 0.000 0.445 405 G N 2.280 111.090 108.800 0.016 0.000 2.539 405 G HA2 -0.243 3.717 3.960 0.000 0.000 0.256 405 G HA3 -0.243 3.717 3.960 0.000 0.000 0.256 405 G C -0.339 174.608 174.900 0.080 0.000 1.233 405 G CA -0.329 44.800 45.100 0.047 0.000 0.936 405 G HN 0.488 nan 8.290 nan 0.000 0.571 406 N N -0.764 118.034 118.700 0.164 0.000 2.430 406 N HA 0.551 5.291 4.740 0.000 0.000 0.298 406 N C 0.023 175.670 175.510 0.228 0.000 1.130 406 N CA -0.461 52.687 53.050 0.163 0.000 0.894 406 N CB 1.855 40.423 38.487 0.135 0.000 1.209 406 N HN 0.545 nan 8.380 nan 0.000 0.503 407 V N 0.742 120.735 119.914 0.132 0.000 2.572 407 V HA 0.578 4.698 4.120 0.000 0.000 0.291 407 V C 0.981 177.139 176.094 0.107 0.000 1.039 407 V CA 0.564 62.939 62.300 0.126 0.000 1.055 407 V CB 0.420 32.277 31.823 0.056 0.000 0.969 407 V HN 0.896 nan 8.190 nan 0.000 0.482 408 G N 4.360 113.241 108.800 0.135 0.000 2.430 408 G HA2 0.216 4.177 3.960 0.000 0.000 0.300 408 G HA3 0.216 4.177 3.960 0.000 0.000 0.300 408 G C -1.312 173.526 174.900 -0.104 0.000 1.330 408 G CA -0.825 44.215 45.100 -0.101 0.000 0.813 408 G HN 0.442 nan 8.290 nan 0.000 0.487 409 N N 0.805 119.356 118.700 -0.248 0.000 2.678 409 N HA 0.355 5.095 4.740 0.000 0.000 0.231 409 N C -1.299 174.081 175.510 -0.217 0.000 1.038 409 N CA 0.020 52.989 53.050 -0.135 0.000 0.932 409 N CB 1.001 39.432 38.487 -0.094 0.000 1.176 409 N HN 0.331 nan 8.380 nan 0.000 0.511 410 Y N 0.128 120.395 120.300 -0.055 0.000 2.352 410 Y HA 0.250 4.800 4.550 0.000 0.000 0.326 410 Y C 1.075 176.913 175.900 -0.104 0.000 1.166 410 Y CA -0.375 57.686 58.100 -0.066 0.000 1.182 410 Y CB 1.224 39.640 38.460 -0.073 0.000 1.216 410 Y HN 0.184 nan 8.280 nan 0.000 0.474 411 S N 1.368 117.126 115.700 0.095 0.000 2.617 411 S HA 0.394 4.865 4.470 0.000 0.000 0.283 411 S C -0.889 173.754 174.600 0.071 0.000 1.189 411 S CA -0.698 57.536 58.200 0.056 0.000 1.036 411 S CB 0.564 63.813 63.200 0.082 0.000 1.014 411 S HN 0.399 nan 8.310 nan 0.000 0.522 412 Y N 1.791 122.162 120.300 0.117 0.000 2.356 412 Y HA 0.258 4.809 4.550 0.000 0.000 0.341 412 Y C 1.130 177.067 175.900 0.062 0.000 1.343 412 Y CA -1.154 57.003 58.100 0.094 0.000 1.570 412 Y CB 0.285 38.806 38.460 0.101 0.000 1.558 412 Y HN 0.737 nan 8.280 nan 0.000 0.557 413 N N 0.250 119.109 118.700 0.265 0.000 2.305 413 N HA -0.094 4.646 4.740 0.000 0.000 0.232 413 N C -0.096 175.371 175.510 -0.071 0.000 1.274 413 N CA 0.498 53.583 53.050 0.058 0.000 0.870 413 N CB 0.362 38.841 38.487 -0.014 0.000 1.105 413 N HN 0.576 nan 8.380 nan 0.000 0.436 414 Q N -0.066 119.614 119.800 -0.199 0.000 2.194 414 Q HA 0.040 4.380 4.340 0.000 0.000 0.214 414 Q C -0.875 174.698 176.000 -0.712 0.000 0.838 414 Q CA -0.143 55.367 55.803 -0.488 0.000 0.972 414 Q CB 0.360 29.005 28.738 -0.155 0.000 1.131 414 Q HN 0.619 nan 8.270 nan 0.000 0.498 415 D N 0.319 120.446 120.400 -0.455 0.000 2.551 415 D HA -0.039 4.601 4.640 0.000 0.000 0.223 415 D C 0.491 176.552 176.300 -0.400 0.000 1.144 415 D CA 0.245 54.071 54.000 -0.290 0.000 1.025 415 D CB 0.138 40.853 40.800 -0.141 0.000 1.085 415 D HN 0.180 nan 8.370 nan 0.000 0.506 416 H N 2.070 120.852 119.070 -0.481 0.000 2.553 416 H HA 0.077 4.633 4.556 0.000 0.000 0.265 416 H C 0.684 175.498 175.328 -0.857 0.000 0.964 416 H CA 0.281 55.878 56.048 -0.751 0.000 1.156 416 H CB 0.235 29.374 29.762 -1.038 0.000 1.411 416 H HN 0.421 nan 8.280 nan 0.000 0.558 417 F N -0.076 119.886 119.950 0.019 0.000 2.602 417 F HA 0.086 4.614 4.527 0.000 0.000 0.284 417 F C 2.382 178.157 175.800 -0.042 0.000 1.111 417 F CA 0.265 58.259 58.000 -0.009 0.000 1.405 417 F CB -0.440 38.555 39.000 -0.009 0.000 1.121 417 F HN -0.117 nan 8.300 nan 0.000 0.603 418 T N 0.540 115.151 114.554 0.095 0.000 2.607 418 T HA -0.253 4.097 4.350 0.000 0.000 0.267 418 T C 1.876 176.542 174.700 -0.055 0.000 1.049 418 T CA 1.983 64.098 62.100 0.026 0.000 1.162 418 T CB -0.462 68.406 68.868 -0.000 0.000 0.863 418 T HN 0.315 nan 8.240 nan 0.000 0.424 419 Q N 0.477 120.169 119.800 -0.180 0.000 2.167 419 Q HA 0.044 4.384 4.340 0.000 0.000 0.202 419 Q C 2.730 178.452 176.000 -0.463 0.000 0.970 419 Q CA 1.198 56.788 55.803 -0.356 0.000 0.855 419 Q CB -0.303 28.108 28.738 -0.546 0.000 0.911 419 Q HN 0.574 nan 8.270 nan 0.000 0.438 420 A N 1.597 124.200 122.820 -0.363 0.000 1.930 420 A HA -0.219 4.102 4.320 0.000 0.000 0.217 420 A C 1.860 179.521 177.584 0.127 0.000 1.175 420 A CA 1.695 53.691 52.037 -0.068 0.000 0.627 420 A CB -0.589 18.466 19.000 0.092 0.000 0.815 420 A HN 0.345 nan 8.150 nan 0.000 0.443 421 N N 0.314 119.084 118.700 0.117 0.000 2.142 421 N HA -0.060 4.680 4.740 0.000 0.000 0.186 421 N C 1.724 177.325 175.510 0.151 0.000 1.023 421 N CA 1.822 54.975 53.050 0.171 0.000 0.852 421 N CB -0.364 38.200 38.487 0.128 0.000 0.998 421 N HN 0.331 nan 8.380 nan 0.000 0.424 422 A N 0.368 123.229 122.820 0.068 0.000 1.908 422 A HA -0.102 4.218 4.320 0.000 0.000 0.218 422 A C 2.142 179.768 177.584 0.070 0.000 1.181 422 A CA 1.427 53.496 52.037 0.053 0.000 0.627 422 A CB -0.930 18.077 19.000 0.012 0.000 0.818 422 A HN 0.412 nan 8.150 nan 0.000 0.445 423 L N -1.624 119.649 121.223 0.084 0.000 2.027 423 L HA -0.123 4.217 4.340 0.000 0.000 0.206 423 L C 2.292 179.211 176.870 0.083 0.000 1.074 423 L CA 2.430 57.331 54.840 0.102 0.000 0.745 423 L CB -1.074 41.085 42.059 0.166 0.000 0.898 423 L HN 0.512 nan 8.230 nan 0.000 0.433 424 Y N 0.498 120.792 120.300 -0.011 0.000 2.207 424 Y HA -0.270 4.280 4.550 0.000 0.000 0.287 424 Y C 2.255 178.109 175.900 -0.077 0.000 1.156 424 Y CA 2.144 60.182 58.100 -0.104 0.000 1.182 424 Y CB -0.250 38.120 38.460 -0.150 0.000 0.979 424 Y HN 0.378 nan 8.280 nan 0.000 0.521 425 N N 0.147 118.883 118.700 0.060 0.000 2.396 425 N HA -0.072 4.668 4.740 0.000 0.000 0.180 425 N C 1.577 177.046 175.510 -0.069 0.000 1.028 425 N CA 1.138 54.181 53.050 -0.012 0.000 0.893 425 N CB -0.148 38.381 38.487 0.070 0.000 0.967 425 N HN 0.440 nan 8.380 nan 0.000 0.440 426 L N 0.436 121.629 121.223 -0.050 0.000 2.446 426 L HA 0.149 4.489 4.340 0.000 0.000 0.219 426 L C 0.481 177.308 176.870 -0.071 0.000 1.116 426 L CA 0.063 54.879 54.840 -0.040 0.000 0.844 426 L CB -0.060 41.999 42.059 0.001 0.000 0.970 426 L HN -0.019 nan 8.230 nan 0.000 0.457 427 L N 2.449 123.592 121.223 -0.134 0.000 2.410 427 L HA 0.162 4.502 4.340 0.000 0.000 0.273 427 L C -1.817 174.961 176.870 -0.153 0.000 1.152 427 L CA -1.710 53.043 54.840 -0.145 0.000 0.855 427 L CB 0.030 41.961 42.059 -0.214 0.000 1.129 427 L HN -0.139 nan 8.230 nan 0.000 0.463 428 P HA 0.028 nan 4.420 nan 0.000 0.272 428 P C 0.631 177.869 177.300 -0.104 0.000 1.223 428 P CA -0.356 62.694 63.100 -0.084 0.000 0.784 428 P CB 1.000 32.670 31.700 -0.050 0.000 0.923 429 S N 2.077 117.721 115.700 -0.092 0.000 2.381 429 S HA -0.286 4.184 4.470 0.000 0.000 0.230 429 S C 1.595 176.149 174.600 -0.076 0.000 1.052 429 S CA 1.783 59.929 58.200 -0.090 0.000 1.068 429 S CB -1.152 62.011 63.200 -0.061 0.000 0.918 429 S HN 0.666 nan 8.310 nan 0.000 0.448 430 E N 1.839 122.006 120.200 -0.056 0.000 2.106 430 E HA -0.206 4.144 4.350 0.000 0.000 0.192 430 E C 2.007 178.581 176.600 -0.044 0.000 0.984 430 E CA 1.547 57.923 56.400 -0.041 0.000 0.806 430 E CB -0.592 29.091 29.700 -0.028 0.000 0.750 430 E HN 0.850 nan 8.360 nan 0.000 0.458 431 E N 1.221 121.387 120.200 -0.056 0.000 2.158 431 E HA -0.091 4.259 4.350 0.000 0.000 0.191 431 E C 1.996 178.549 176.600 -0.080 0.000 0.982 431 E CA 0.582 56.951 56.400 -0.052 0.000 0.823 431 E CB 0.160 29.831 29.700 -0.048 0.000 0.766 431 E HN 0.177 nan 8.360 nan 0.000 0.468 432 K N 0.388 120.710 120.400 -0.131 0.000 2.057 432 K HA -0.188 4.132 4.320 0.000 0.000 0.207 432 K C 2.112 178.655 176.600 -0.095 0.000 1.049 432 K CA 1.396 57.573 56.287 -0.184 0.000 0.931 432 K CB -0.049 32.281 32.500 -0.284 0.000 0.714 432 K HN 0.024 nan 8.250 nan 0.000 0.440 433 E N 1.313 121.474 120.200 -0.065 0.000 2.077 433 E HA -0.172 4.178 4.350 0.000 0.000 0.193 433 E C 1.622 178.213 176.600 -0.015 0.000 0.989 433 E CA 1.394 57.775 56.400 -0.031 0.000 0.800 433 E CB 0.009 29.695 29.700 -0.025 0.000 0.746 433 E HN 0.195 nan 8.360 nan 0.000 0.452 434 N N 0.390 119.082 118.700 -0.014 0.000 2.142 434 N HA -0.142 4.598 4.740 0.000 0.000 0.186 434 N C 1.793 177.317 175.510 0.022 0.000 1.023 434 N CA 0.877 53.931 53.050 0.007 0.000 0.852 434 N CB -0.492 38.001 38.487 0.009 0.000 0.998 434 N HN 0.230 nan 8.380 nan 0.000 0.424 435 L N 1.067 122.294 121.223 0.007 0.000 2.012 435 L HA -0.159 4.181 4.340 0.000 0.000 0.210 435 L C 1.728 178.624 176.870 0.043 0.000 1.073 435 L CA 1.568 56.425 54.840 0.028 0.000 0.748 435 L CB -0.420 41.625 42.059 -0.024 0.000 0.891 435 L HN 0.025 nan 8.230 nan 0.000 0.431 436 I N 0.544 121.124 120.570 0.017 0.000 2.179 436 I HA -0.277 3.893 4.170 0.000 0.000 0.242 436 I C 2.331 178.458 176.117 0.016 0.000 1.088 436 I CA 1.209 62.518 61.300 0.015 0.000 1.357 436 I CB -1.770 36.239 38.000 0.015 0.000 1.051 436 I HN 0.386 nan 8.210 nan 0.000 0.409 437 N N 1.430 120.143 118.700 0.022 0.000 2.166 437 N HA -0.152 4.588 4.740 0.000 0.000 0.186 437 N C 1.536 177.078 175.510 0.052 0.000 1.019 437 N CA 0.996 54.063 53.050 0.027 0.000 0.856 437 N CB -0.434 38.066 38.487 0.022 0.000 0.993 437 N HN 0.413 nan 8.380 nan 0.000 0.426 438 N N 1.225 119.971 118.700 0.076 0.000 2.120 438 N HA -0.020 4.720 4.740 0.000 0.000 0.188 438 N C 1.951 177.562 175.510 0.170 0.000 1.024 438 N CA 0.548 53.672 53.050 0.122 0.000 0.852 438 N CB -0.235 38.335 38.487 0.139 0.000 1.003 438 N HN 0.309 nan 8.380 nan 0.000 0.424 439 I N 1.090 121.750 120.570 0.150 0.000 2.202 439 I HA -0.208 3.962 4.170 0.000 0.000 0.242 439 I C 2.346 178.482 176.117 0.031 0.000 1.091 439 I CA 0.889 62.286 61.300 0.162 0.000 1.368 439 I CB -0.338 37.680 38.000 0.030 0.000 1.058 439 I HN 0.042 nan 8.210 nan 0.000 0.410 440 A N 0.930 123.746 122.820 -0.008 0.000 1.883 440 A HA -0.238 4.082 4.320 0.000 0.000 0.217 440 A C 2.541 180.123 177.584 -0.004 0.000 1.186 440 A CA 2.098 54.113 52.037 -0.036 0.000 0.624 440 A CB -0.942 18.045 19.000 -0.021 0.000 0.822 440 A HN 0.449 nan 8.150 nan 0.000 0.444 441 A N -1.226 121.620 122.820 0.044 0.000 1.978 441 A HA -0.081 4.239 4.320 0.000 0.000 0.220 441 A C 2.436 180.079 177.584 0.099 0.000 1.170 441 A CA 2.311 54.386 52.037 0.064 0.000 0.636 441 A CB -0.667 18.380 19.000 0.077 0.000 0.810 441 A HN 0.565 nan 8.150 nan 0.000 0.448 442 S N -1.192 114.607 115.700 0.165 0.000 2.355 442 S HA -0.004 4.466 4.470 0.000 0.000 0.216 442 S C 1.848 176.551 174.600 0.171 0.000 1.037 442 S CA 0.901 59.285 58.200 0.306 0.000 0.955 442 S CB -0.400 63.165 63.200 0.608 0.000 0.877 442 S HN 0.442 nan 8.310 nan 0.000 0.488 443 L N 2.252 123.349 121.223 -0.211 0.000 2.131 443 L HA 0.156 4.496 4.340 0.000 0.000 0.210 443 L C 2.117 178.810 176.870 -0.296 0.000 1.092 443 L CA 2.101 56.478 54.840 -0.771 0.000 0.759 443 L CB -1.243 40.179 42.059 -1.063 0.000 0.903 443 L HN 0.424 nan 8.230 nan 0.000 0.435 444 G N -1.483 107.232 108.800 -0.143 0.000 2.498 444 G HA2 -0.225 3.736 3.960 0.000 0.000 0.219 444 G HA3 -0.225 3.736 3.960 0.000 0.000 0.219 444 G C 1.374 176.258 174.900 -0.026 0.000 1.119 444 G CA 0.547 45.604 45.100 -0.071 0.000 0.766 444 G HN 0.577 nan 8.290 nan 0.000 0.552 445 Q N -0.345 119.458 119.800 0.005 0.000 2.432 445 Q HA 0.149 4.489 4.340 0.000 0.000 0.205 445 Q C 0.497 176.521 176.000 0.040 0.000 0.945 445 Q CA -0.275 55.550 55.803 0.036 0.000 0.924 445 Q CB 0.581 29.362 28.738 0.072 0.000 1.016 445 Q HN 0.307 nan 8.270 nan 0.000 0.503 446 V N 1.961 121.892 119.914 0.027 0.000 2.715 446 V HA -0.048 4.072 4.120 0.000 0.000 0.299 446 V C 1.136 177.244 176.094 0.023 0.000 1.054 446 V CA 0.400 62.727 62.300 0.045 0.000 1.077 446 V CB 1.103 32.950 31.823 0.040 0.000 0.972 446 V HN 0.201 nan 8.190 nan 0.000 0.484 447 K N 1.977 122.397 120.400 0.033 0.000 2.168 447 K HA 0.067 4.387 4.320 0.000 0.000 0.201 447 K C 0.942 177.556 176.600 0.022 0.000 1.049 447 K CA 0.083 56.384 56.287 0.023 0.000 0.974 447 K CB -0.113 32.403 32.500 0.025 0.000 0.792 447 K HN 0.567 nan 8.250 nan 0.000 0.463 448 N N 3.181 121.901 118.700 0.033 0.000 2.412 448 N HA -0.052 4.688 4.740 0.000 0.000 0.279 448 N C 0.638 176.161 175.510 0.023 0.000 1.287 448 N CA 0.441 53.511 53.050 0.033 0.000 0.948 448 N CB 0.786 39.303 38.487 0.049 0.000 1.255 448 N HN 0.150 nan 8.380 nan 0.000 0.485 449 Q N 2.122 121.930 119.800 0.014 0.000 2.234 449 Q HA -0.160 4.180 4.340 0.000 0.000 0.206 449 Q C 1.015 177.017 176.000 0.003 0.000 0.980 449 Q CA 1.368 57.173 55.803 0.004 0.000 0.869 449 Q CB 0.183 28.923 28.738 0.003 0.000 0.912 449 Q HN 0.686 nan 8.270 nan 0.000 0.436 450 E N 0.231 120.438 120.200 0.012 0.000 2.150 450 E HA -0.145 4.205 4.350 0.000 0.000 0.193 450 E C 1.828 178.428 176.600 -0.001 0.000 0.985 450 E CA 0.703 57.109 56.400 0.009 0.000 0.814 450 E CB 0.016 29.730 29.700 0.022 0.000 0.752 450 E HN 0.418 nan 8.360 nan 0.000 0.466 451 I N 0.834 121.413 120.570 0.014 0.000 2.286 451 I HA -0.231 3.939 4.170 0.000 0.000 0.245 451 I C 2.314 178.436 176.117 0.007 0.000 1.104 451 I CA 0.881 62.191 61.300 0.018 0.000 1.397 451 I CB -0.133 37.912 38.000 0.075 0.000 1.072 451 I HN 0.091 nan 8.210 nan 0.000 0.417 452 I N 0.911 121.477 120.570 -0.006 0.000 2.226 452 I HA -0.297 3.873 4.170 0.000 0.000 0.245 452 I C 2.829 178.927 176.117 -0.031 0.000 1.100 452 I CA 1.412 62.688 61.300 -0.040 0.000 1.374 452 I CB -0.509 37.460 38.000 -0.052 0.000 1.057 452 I HN 0.184 nan 8.210 nan 0.000 0.413 453 A N 0.781 123.587 122.820 -0.023 0.000 1.877 453 A HA -0.252 4.069 4.320 0.000 0.000 0.216 453 A C 2.460 180.025 177.584 -0.032 0.000 1.186 453 A CA 1.798 53.822 52.037 -0.022 0.000 0.620 453 A CB -0.685 18.305 19.000 -0.017 0.000 0.822 453 A HN 0.347 nan 8.150 nan 0.000 0.443 454 R N -0.917 119.556 120.500 -0.045 0.000 2.091 454 R HA -0.236 4.104 4.340 0.000 0.000 0.238 454 R C 2.393 178.644 176.300 -0.081 0.000 1.136 454 R CA 2.046 58.104 56.100 -0.071 0.000 0.959 454 R CB -0.258 29.969 30.300 -0.121 0.000 0.856 454 R HN 0.545 nan 8.270 nan 0.000 0.437 455 Q N 0.729 120.491 119.800 -0.063 0.000 2.079 455 Q HA -0.072 4.268 4.340 0.000 0.000 0.200 455 Q C 1.939 177.862 176.000 -0.127 0.000 0.974 455 Q CA 1.721 57.464 55.803 -0.101 0.000 0.840 455 Q CB -0.168 28.578 28.738 0.013 0.000 0.898 455 Q HN 0.477 nan 8.270 nan 0.000 0.430 456 I N 0.635 121.207 120.570 0.004 0.000 2.286 456 I HA -0.263 3.908 4.170 0.000 0.000 0.248 456 I C 1.314 177.439 176.117 0.014 0.000 1.115 456 I CA 1.228 62.579 61.300 0.086 0.000 1.392 456 I CB -0.258 37.768 38.000 0.045 0.000 1.065 456 I HN 0.217 nan 8.210 nan 0.000 0.418 457 D N 0.506 120.883 120.400 -0.037 0.000 2.178 457 D HA -0.142 4.498 4.640 0.000 0.000 0.201 457 D C 2.082 178.328 176.300 -0.089 0.000 0.980 457 D CA 1.048 55.013 54.000 -0.058 0.000 0.842 457 D CB -0.127 40.640 40.800 -0.056 0.000 0.948 457 D HN 0.154 nan 8.370 nan 0.000 0.472 458 L N -0.184 120.968 121.223 -0.117 0.000 2.027 458 L HA -0.096 4.244 4.340 0.000 0.000 0.206 458 L C 2.094 178.874 176.870 -0.150 0.000 1.074 458 L CA 1.252 56.024 54.840 -0.113 0.000 0.745 458 L CB -0.771 41.153 42.059 -0.224 0.000 0.898 458 L HN -0.039 nan 8.230 nan 0.000 0.433 459 F N -0.504 119.340 119.950 -0.177 0.000 2.171 459 F HA -0.172 4.355 4.527 0.000 0.000 0.300 459 F C 2.530 178.142 175.800 -0.314 0.000 1.090 459 F CA 1.470 59.212 58.000 -0.431 0.000 1.293 459 F CB -1.487 37.160 39.000 -0.588 0.000 1.013 459 F HN 0.029 nan 8.300 nan 0.000 0.486 460 T N -0.209 114.335 114.554 -0.017 0.000 2.759 460 T HA -0.177 4.173 4.350 0.000 0.000 0.269 460 T C 2.082 176.716 174.700 -0.111 0.000 1.042 460 T CA 1.182 63.251 62.100 -0.051 0.000 1.140 460 T CB -0.218 68.620 68.868 -0.050 0.000 0.864 460 T HN 0.210 nan 8.240 nan 0.000 0.455 461 R N 0.360 120.744 120.500 -0.194 0.000 2.189 461 R HA 0.028 4.368 4.340 0.000 0.000 0.223 461 R C 2.334 178.462 176.300 -0.287 0.000 1.092 461 R CA 0.612 56.467 56.100 -0.408 0.000 0.989 461 R CB -0.391 29.381 30.300 -0.880 0.000 0.876 461 R HN 0.290 nan 8.270 nan 0.000 0.457 462 V N 0.498 120.400 119.914 -0.019 0.000 2.323 462 V HA -0.110 4.011 4.120 0.000 0.000 0.244 462 V C 0.550 176.683 176.094 0.066 0.000 1.041 462 V CA 1.212 63.605 62.300 0.154 0.000 1.025 462 V CB -0.440 31.516 31.823 0.222 0.000 0.656 462 V HN 0.363 nan 8.190 nan 0.000 0.451 463 N N -1.865 116.838 118.700 0.005 0.000 2.554 463 N HA 0.247 4.987 4.740 0.000 0.000 0.271 463 N C -2.601 172.883 175.510 -0.043 0.000 1.081 463 N CA -0.902 52.125 53.050 -0.038 0.000 0.994 463 N CB 2.330 40.724 38.487 -0.154 0.000 1.641 463 N HN -0.227 nan 8.380 nan 0.000 0.511 464 P HA -0.212 nan 4.420 nan 0.000 0.216 464 P C 0.703 178.006 177.300 0.004 0.000 1.153 464 P CA 1.132 64.223 63.100 -0.016 0.000 0.858 464 P CB 0.266 31.960 31.700 -0.009 0.000 0.789 465 E N -1.815 118.396 120.200 0.018 0.000 2.072 465 E HA -0.238 4.112 4.350 0.000 0.000 0.191 465 E C 1.910 178.549 176.600 0.064 0.000 0.985 465 E CA 0.782 57.218 56.400 0.060 0.000 0.801 465 E CB -0.513 29.267 29.700 0.132 0.000 0.750 465 E HN 0.093 nan 8.360 nan 0.000 0.452 466 Y N 0.975 121.096 120.300 -0.297 0.000 2.053 466 Y HA -0.170 4.380 4.550 0.000 0.000 0.277 466 Y C 2.279 178.067 175.900 -0.187 0.000 1.159 466 Y CA 1.955 59.796 58.100 -0.431 0.000 1.125 466 Y CB -1.066 36.953 38.460 -0.735 0.000 0.969 466 Y HN 0.121 nan 8.280 nan 0.000 0.492 467 G N -0.699 108.128 108.800 0.045 0.000 2.418 467 G HA2 -0.206 3.754 3.960 0.000 0.000 0.217 467 G HA3 -0.206 3.754 3.960 0.000 0.000 0.217 467 G C 1.886 176.799 174.900 0.022 0.000 1.158 467 G CA 1.340 46.455 45.100 0.024 0.000 0.771 467 G HN 0.624 nan 8.290 nan 0.000 0.545 468 A N 0.812 123.648 122.820 0.027 0.000 1.877 468 A HA -0.022 4.298 4.320 0.000 0.000 0.216 468 A C 2.463 180.062 177.584 0.025 0.000 1.186 468 A CA 1.567 53.617 52.037 0.022 0.000 0.620 468 A CB -0.392 18.623 19.000 0.024 0.000 0.822 468 A HN 0.298 nan 8.150 nan 0.000 0.443 469 R N -0.592 119.936 120.500 0.046 0.000 2.081 469 R HA -0.095 4.246 4.340 0.000 0.000 0.235 469 R C 2.105 178.413 176.300 0.015 0.000 1.131 469 R CA 1.506 57.633 56.100 0.044 0.000 0.960 469 R CB -0.752 29.597 30.300 0.083 0.000 0.856 469 R HN 0.436 nan 8.270 nan 0.000 0.436 470 V N 1.124 121.035 119.914 -0.006 0.000 2.295 470 V HA -0.237 3.883 4.120 0.000 0.000 0.246 470 V C 2.564 178.630 176.094 -0.045 0.000 1.049 470 V CA 1.949 64.209 62.300 -0.067 0.000 1.024 470 V CB -0.815 30.894 31.823 -0.190 0.000 0.648 470 V HN 0.366 nan 8.190 nan 0.000 0.447 471 A N -0.827 121.979 122.820 -0.024 0.000 1.908 471 A HA -0.307 4.013 4.320 0.000 0.000 0.218 471 A C 2.153 179.728 177.584 -0.016 0.000 1.181 471 A CA 2.243 54.269 52.037 -0.018 0.000 0.627 471 A CB -0.532 18.464 19.000 -0.007 0.000 0.818 471 A HN 0.520 nan 8.150 nan 0.000 0.445 472 Q N -0.551 119.244 119.800 -0.008 0.000 2.083 472 Q HA 0.080 4.420 4.340 0.000 0.000 0.198 472 Q C 2.170 178.165 176.000 -0.008 0.000 0.969 472 Q CA 1.776 57.576 55.803 -0.005 0.000 0.838 472 Q CB -0.623 28.117 28.738 0.002 0.000 0.900 472 Q HN 0.579 nan 8.270 nan 0.000 0.436 473 A N 0.094 122.907 122.820 -0.010 0.000 1.902 473 A HA -0.156 4.164 4.320 0.000 0.000 0.217 473 A C 2.075 179.649 177.584 -0.016 0.000 1.181 473 A CA 1.416 53.447 52.037 -0.011 0.000 0.623 473 A CB -0.718 18.275 19.000 -0.012 0.000 0.818 473 A HN 0.441 nan 8.150 nan 0.000 0.443 474 I N -0.811 119.743 120.570 -0.027 0.000 2.252 474 I HA -0.237 3.933 4.170 0.000 0.000 0.245 474 I C 2.503 178.608 176.117 -0.020 0.000 1.102 474 I CA 1.599 62.880 61.300 -0.031 0.000 1.385 474 I CB -0.292 37.679 38.000 -0.048 0.000 1.064 474 I HN 0.328 nan 8.210 nan 0.000 0.414 475 K N 1.065 121.455 120.400 -0.016 0.000 2.211 475 K HA -0.200 4.120 4.320 0.000 0.000 0.204 475 K C 1.345 177.941 176.600 -0.007 0.000 1.047 475 K CA 1.254 57.534 56.287 -0.011 0.000 0.935 475 K CB 0.019 32.514 32.500 -0.008 0.000 0.728 475 K HN 0.445 nan 8.250 nan 0.000 0.452 476 Q N 0.655 120.451 119.800 -0.007 0.000 2.265 476 Q HA 0.024 4.364 4.340 0.000 0.000 0.217 476 Q C -0.313 175.685 176.000 -0.003 0.000 0.916 476 Q CA 0.184 55.985 55.803 -0.004 0.000 0.948 476 Q CB 0.404 29.141 28.738 -0.003 0.000 1.020 476 Q HN 0.316 nan 8.270 nan 0.000 0.462 477 Q N 0.000 119.797 119.800 -0.004 0.000 2.315 477 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 477 Q CA 0.000 55.801 55.803 -0.002 0.000 1.022 477 Q CB 0.000 28.736 28.738 -0.003 0.000 1.108 477 Q HN 0.000 nan 8.270 nan 0.000 0.481