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 2dkf_1_C DATA FIRST_RESID 2 DATA SEQUENCE RIVPFGAARE VTGSAHLLLA GGRRVLLDCG XFQGKEEARN HAPFGFDPKE DATA SEQUENCE VDAVLLTHAH LDHVGRLPKL FREGYRGPVY ATRATVLLXE IVLEDALKVX DATA SEQUENCE DEPFFGPEDV EEALGHLRPL EYGEWLRLGA LSLAFGQAGH LPGSAFVVAQ DATA SEQUENCE GEGRTLVYSG DLGNREKDVL PDPSLPPLAD LVLAEGTYGD RPHRPYRETV DATA SEQUENCE REFLEILEKT LSQGGKVLIP TFAVERAQEI LYVLYTHGHR LPRAPIYLDS DATA SEQUENCE PXAGRVLSLY PRLVRYFSEE VQAHFLQGKN PFRPAGLEVV EHTEASKALN DATA SEQUENCE RAPGPXVVLA GSGXLAGGRI LHHLKHGLSD PRNALVFVGY QPQGGLGAEI DATA SEQUENCE IARPPAVRIL GEEVPLRASV HTLGGFSGHA GQDELLDWLQ GEPRVVLVHG DATA SEQUENCE EEEKLLALGK LLALRGQEVS LARFGEGVPV 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.271 176.300 -0.048 0.000 0.893 2 R CA 0.000 56.079 56.100 -0.035 0.000 0.921 2 R CB 0.000 30.279 30.300 -0.036 0.000 0.687 3 I N 2.142 122.675 120.570 -0.063 0.000 2.797 3 I HA 0.515 4.685 4.170 0.000 0.000 0.310 3 I C -0.431 175.604 176.117 -0.138 0.000 0.990 3 I CA -1.071 60.176 61.300 -0.087 0.000 1.228 3 I CB 2.191 40.140 38.000 -0.084 0.000 1.406 3 I HN 0.558 nan 8.210 nan 0.000 0.534 4 V N 5.752 125.555 119.914 -0.184 0.000 2.555 4 V HA 0.228 4.348 4.120 0.000 0.000 0.283 4 V C -2.487 173.303 176.094 -0.506 0.000 1.020 4 V CA -1.398 60.694 62.300 -0.348 0.000 0.883 4 V CB 1.595 33.225 31.823 -0.321 0.000 1.030 4 V HN 0.604 nan 8.190 nan 0.000 0.448 5 P HA 0.247 nan 4.420 nan 0.000 0.265 5 P C -0.381 176.547 177.300 -0.622 0.000 1.193 5 P CA 0.386 63.273 63.100 -0.355 0.000 0.765 5 P CB 0.248 31.773 31.700 -0.293 0.000 0.823 6 F N 1.419 121.393 119.950 0.039 0.000 2.901 6 F HA 0.365 4.892 4.527 0.000 0.000 0.329 6 F C 1.203 177.178 175.800 0.292 0.000 1.185 6 F CA 0.070 58.005 58.000 -0.108 0.000 1.114 6 F CB 0.601 39.632 39.000 0.052 0.000 1.199 6 F HN 0.419 nan 8.300 nan 0.000 0.513 7 G N -0.192 108.894 108.800 0.475 0.000 3.064 7 G HA2 0.377 4.338 3.960 0.000 0.000 0.151 7 G HA3 0.377 4.338 3.960 0.000 0.000 0.151 7 G C 0.462 175.627 174.900 0.443 0.000 1.489 7 G CA 0.257 45.607 45.100 0.418 0.000 1.066 7 G HN 0.036 nan 8.290 nan 0.000 0.740 8 A N 0.978 123.983 122.820 0.309 0.000 2.478 8 A HA 0.632 4.952 4.320 0.000 0.000 0.239 8 A C 0.974 178.720 177.584 0.270 0.000 1.480 8 A CA 0.903 53.099 52.037 0.264 0.000 1.308 8 A CB -1.309 17.835 19.000 0.239 0.000 0.899 8 A HN 1.346 nan 8.150 nan 0.000 0.600 9 A N 0.645 123.645 122.820 0.299 0.000 2.354 9 A HA 0.537 4.857 4.320 0.000 0.000 0.281 9 A C 1.034 178.713 177.584 0.158 0.000 1.174 9 A CA -0.610 51.555 52.037 0.214 0.000 0.828 9 A CB 0.059 19.210 19.000 0.252 0.000 1.099 9 A HN 0.586 nan 8.150 nan 0.000 0.516 10 R N -0.333 120.230 120.500 0.106 0.000 3.863 10 R HA -0.213 4.127 4.340 0.000 0.000 0.313 10 R C 0.107 176.440 176.300 0.055 0.000 1.202 10 R CA 1.889 58.029 56.100 0.067 0.000 0.852 10 R CB -2.628 27.704 30.300 0.053 0.000 1.292 10 R HN 1.119 nan 8.270 nan 0.000 0.519 11 E N -3.531 116.711 120.200 0.070 0.000 2.425 11 E HA 0.494 4.844 4.350 0.000 0.000 0.272 11 E C -0.031 176.563 176.600 -0.011 0.000 1.061 11 E CA -0.421 56.002 56.400 0.037 0.000 0.877 11 E CB 0.598 30.340 29.700 0.070 0.000 1.590 11 E HN -0.131 nan 8.360 nan 0.000 0.462 12 V N 0.024 119.886 119.914 -0.087 0.000 2.788 12 V HA 0.094 4.214 4.120 0.000 0.000 0.241 12 V C 0.865 176.789 176.094 -0.283 0.000 1.083 12 V CA 1.915 64.023 62.300 -0.319 0.000 1.103 12 V CB 0.343 31.962 31.823 -0.340 0.000 0.800 12 V HN 0.883 nan 8.190 nan 0.000 0.476 13 T N -1.779 112.736 114.554 -0.064 0.000 2.788 13 T HA 0.480 4.830 4.350 0.000 0.000 0.287 13 T C 1.139 175.797 174.700 -0.070 0.000 1.007 13 T CA 0.459 62.546 62.100 -0.022 0.000 1.005 13 T CB 0.800 69.727 68.868 0.099 0.000 1.012 13 T HN 1.743 nan 8.240 nan 0.000 0.530 14 G N 0.495 109.080 108.800 -0.358 0.000 2.143 14 G HA2 -0.264 3.696 3.960 0.000 0.000 0.248 14 G HA3 -0.264 3.696 3.960 0.000 0.000 0.248 14 G C 0.260 174.889 174.900 -0.453 0.000 0.991 14 G CA 0.081 44.668 45.100 -0.854 0.000 0.689 14 G HN 1.109 nan 8.290 nan 0.000 0.522 15 S N 0.331 115.835 115.700 -0.326 0.000 2.702 15 S HA 0.409 4.879 4.470 0.000 0.000 0.314 15 S C 0.605 174.979 174.600 -0.376 0.000 1.244 15 S CA 1.105 59.097 58.200 -0.348 0.000 1.058 15 S CB 0.678 63.571 63.200 -0.513 0.000 0.783 15 S HN 1.993 nan 8.310 nan 0.000 0.503 16 A N 4.647 127.165 122.820 -0.503 0.000 2.495 16 A HA 0.448 4.768 4.320 0.000 0.000 0.297 16 A C -1.110 176.329 177.584 -0.243 0.000 1.036 16 A CA -0.753 51.097 52.037 -0.310 0.000 0.982 16 A CB 0.511 19.515 19.000 0.007 0.000 1.476 16 A HN 0.923 nan 8.150 nan 0.000 0.393 17 H N 1.879 120.838 119.070 -0.185 0.000 2.800 17 H HA 0.474 5.030 4.556 0.000 0.000 0.322 17 H C -0.616 174.570 175.328 -0.238 0.000 0.979 17 H CA -0.912 55.015 56.048 -0.203 0.000 1.277 17 H CB 1.984 31.551 29.762 -0.324 0.000 1.484 17 H HN 0.544 nan 8.280 nan 0.000 0.512 18 L N 4.232 125.420 121.223 -0.057 0.000 2.313 18 L HA 0.176 4.516 4.340 0.000 0.000 0.282 18 L C -0.831 175.971 176.870 -0.112 0.000 1.092 18 L CA -0.508 54.212 54.840 -0.200 0.000 0.831 18 L CB 0.257 42.147 42.059 -0.283 0.000 1.159 18 L HN 0.526 nan 8.230 nan 0.000 0.442 19 L N 6.726 127.878 121.223 -0.119 0.000 2.255 19 L HA 0.458 4.798 4.340 0.000 0.000 0.289 19 L C -1.101 175.729 176.870 -0.067 0.000 1.046 19 L CA 0.075 54.870 54.840 -0.075 0.000 0.816 19 L CB 0.532 42.557 42.059 -0.056 0.000 1.197 19 L HN 0.549 nan 8.230 nan 0.000 0.427 20 L N 6.763 127.957 121.223 -0.049 0.000 2.264 20 L HA 0.877 5.217 4.340 0.000 0.000 0.287 20 L C 0.069 176.923 176.870 -0.026 0.000 1.039 20 L CA -0.095 54.724 54.840 -0.036 0.000 0.829 20 L CB 0.762 42.806 42.059 -0.024 0.000 1.211 20 L HN 0.880 nan 8.230 nan 0.000 0.427 21 A N 1.585 124.391 122.820 -0.023 0.000 2.511 21 A HA 0.666 4.986 4.320 0.000 0.000 0.293 21 A C 0.607 178.182 177.584 -0.015 0.000 1.098 21 A CA -0.028 51.999 52.037 -0.017 0.000 0.643 21 A CB 0.560 19.552 19.000 -0.013 0.000 1.302 21 A HN 0.790 nan 8.150 nan 0.000 0.446 22 G N -1.084 107.709 108.800 -0.013 0.000 2.256 22 G HA2 0.123 4.083 3.960 0.000 0.000 0.279 22 G HA3 0.123 4.083 3.960 0.000 0.000 0.279 22 G C 1.874 176.767 174.900 -0.011 0.000 0.998 22 G CA 1.986 47.079 45.100 -0.013 0.000 0.720 22 G HN 2.895 nan 8.290 nan 0.000 0.521 23 G N -2.219 106.574 108.800 -0.011 0.000 2.179 23 G HA2 -0.265 3.695 3.960 0.000 0.000 0.260 23 G HA3 -0.265 3.695 3.960 0.000 0.000 0.260 23 G C 0.587 175.482 174.900 -0.008 0.000 0.977 23 G CA 1.110 46.205 45.100 -0.008 0.000 0.641 23 G HN 0.887 nan 8.290 nan 0.000 0.533 24 R N -0.476 120.017 120.500 -0.012 0.000 2.797 24 R HA 0.791 5.131 4.340 0.000 0.000 0.251 24 R C 0.096 176.381 176.300 -0.024 0.000 1.107 24 R CA -0.847 55.245 56.100 -0.013 0.000 1.084 24 R CB 0.777 31.071 30.300 -0.011 0.000 1.205 24 R HN 0.278 nan 8.270 nan 0.000 0.515 25 R N 0.459 120.939 120.500 -0.033 0.000 2.507 25 R HA 0.311 4.651 4.340 0.000 0.000 0.298 25 R C -0.959 175.288 176.300 -0.089 0.000 1.087 25 R CA -0.539 55.522 56.100 -0.065 0.000 0.917 25 R CB 1.912 32.171 30.300 -0.067 0.000 1.173 25 R HN 0.404 nan 8.270 nan 0.000 0.472 26 V N 3.574 123.428 119.914 -0.100 0.000 2.495 26 V HA 0.513 4.633 4.120 0.000 0.000 0.298 26 V C -0.667 175.324 176.094 -0.171 0.000 1.031 26 V CA -0.849 61.387 62.300 -0.107 0.000 0.871 26 V CB 1.770 33.561 31.823 -0.053 0.000 0.988 26 V HN 0.666 nan 8.190 nan 0.000 0.432 27 L N 6.110 127.197 121.223 -0.225 0.000 2.290 27 L HA 0.441 4.781 4.340 0.000 0.000 0.284 27 L C -1.038 175.722 176.870 -0.184 0.000 1.078 27 L CA -0.673 53.993 54.840 -0.289 0.000 0.815 27 L CB 1.402 43.220 42.059 -0.402 0.000 1.162 27 L HN 0.629 nan 8.230 nan 0.000 0.435 28 L N 5.280 126.379 121.223 -0.207 0.000 2.257 28 L HA 0.389 4.729 4.340 0.000 0.000 0.290 28 L C 0.061 176.787 176.870 -0.240 0.000 1.044 28 L CA 0.169 54.894 54.840 -0.191 0.000 0.810 28 L CB 0.324 42.170 42.059 -0.354 0.000 1.193 28 L HN 0.634 nan 8.230 nan 0.000 0.425 29 D N 1.406 121.767 120.400 -0.065 0.000 10.226 29 D HA -0.281 4.359 4.640 0.000 0.000 0.359 29 D C -0.168 176.071 176.300 -0.103 0.000 2.990 29 D CA 0.782 54.763 54.000 -0.033 0.000 2.347 29 D CB -0.137 40.681 40.800 0.031 0.000 1.140 29 D HN 0.771 nan 8.370 nan 0.000 1.059 30 C N 1.712 120.976 119.300 -0.061 0.000 2.474 30 C HA 0.519 4.979 4.460 0.000 0.000 0.270 30 C C 0.468 175.461 174.990 0.004 0.000 0.860 30 C CA 0.442 59.444 59.018 -0.026 0.000 0.818 30 C CB -0.766 26.971 27.740 -0.005 0.000 1.638 30 C HN 0.737 nan 8.230 nan 0.000 0.729 34 Q N 0.366 120.303 119.800 0.228 0.000 2.423 34 Q HA 0.748 5.088 4.340 0.000 0.000 0.278 34 Q C 0.208 176.276 176.000 0.113 0.000 1.097 34 Q CA -0.311 55.585 55.803 0.156 0.000 0.809 34 Q CB 3.081 31.895 28.738 0.126 0.000 1.391 34 Q HN 1.058 nan 8.270 nan 0.000 0.428 35 G N 1.454 110.312 108.800 0.095 0.000 2.964 35 G HA2 -0.261 3.700 3.960 0.000 0.000 0.229 35 G HA3 -0.261 3.700 3.960 0.000 0.000 0.229 35 G C 0.242 175.170 174.900 0.046 0.000 1.395 35 G CA 0.211 45.349 45.100 0.065 0.000 1.060 35 G HN 0.533 nan 8.290 nan 0.000 0.568 36 K N 1.246 121.660 120.400 0.023 0.000 2.308 36 K HA 0.227 4.547 4.320 0.000 0.000 0.197 36 K C 1.535 178.123 176.600 -0.021 0.000 1.049 36 K CA 1.449 57.736 56.287 -0.000 0.000 0.991 36 K CB -0.021 32.472 32.500 -0.013 0.000 0.836 36 K HN 0.504 nan 8.250 nan 0.000 0.500 37 E N 2.009 122.196 120.200 -0.021 0.000 2.463 37 E HA -0.060 4.290 4.350 0.000 0.000 0.201 37 E C 0.490 177.049 176.600 -0.068 0.000 1.045 37 E CA 0.436 56.787 56.400 -0.080 0.000 0.872 37 E CB -0.117 29.551 29.700 -0.053 0.000 0.797 37 E HN 0.344 nan 8.360 nan 0.000 0.538 38 E N 0.255 120.465 120.200 0.017 0.000 2.849 38 E HA -0.047 4.303 4.350 0.000 0.000 0.288 38 E C 1.332 177.936 176.600 0.006 0.000 1.469 38 E CA 0.939 57.376 56.400 0.061 0.000 1.339 38 E CB 0.116 29.868 29.700 0.087 0.000 0.972 38 E HN 0.079 nan 8.360 nan 0.000 0.619 39 A N -0.345 122.518 122.820 0.071 0.000 3.310 39 A HA -0.372 3.948 4.320 0.000 0.000 0.240 39 A C 1.674 179.261 177.584 0.005 0.000 0.530 39 A CA 2.436 54.504 52.037 0.051 0.000 1.129 39 A CB -1.534 17.433 19.000 -0.056 0.000 1.333 39 A HN 0.594 nan 8.150 nan 0.000 0.674 40 R N -0.052 120.386 120.500 -0.102 0.000 2.241 40 R HA -0.072 4.269 4.340 0.000 0.000 0.224 40 R C 1.598 177.818 176.300 -0.133 0.000 1.101 40 R CA 1.353 57.336 56.100 -0.195 0.000 0.995 40 R CB -0.482 29.524 30.300 -0.490 0.000 0.870 40 R HN 0.876 nan 8.270 nan 0.000 0.463 41 N N -0.684 117.914 118.700 -0.170 0.000 2.512 41 N HA -0.106 4.634 4.740 0.000 0.000 0.183 41 N C 0.889 175.879 175.510 -0.867 0.000 1.073 41 N CA 0.477 53.145 53.050 -0.637 0.000 0.911 41 N CB 0.087 37.912 38.487 -1.102 0.000 0.964 41 N HN 0.319 nan 8.380 nan 0.000 0.447 42 H N -0.055 118.776 119.070 -0.400 0.000 2.520 42 H HA 0.306 4.862 4.556 0.000 0.000 0.279 42 H C 0.737 175.951 175.328 -0.189 0.000 0.990 42 H CA 0.267 56.185 56.048 -0.218 0.000 1.288 42 H CB 0.250 29.956 29.762 -0.094 0.000 1.446 42 H HN 0.107 nan 8.280 nan 0.000 0.538 43 A N 2.111 124.872 122.820 -0.099 0.000 2.313 43 A HA 0.298 4.619 4.320 0.000 0.000 0.261 43 A C -1.869 175.584 177.584 -0.218 0.000 1.090 43 A CA -1.216 50.751 52.037 -0.117 0.000 0.807 43 A CB -0.029 18.905 19.000 -0.109 0.000 1.055 43 A HN 0.098 nan 8.150 nan 0.000 0.492 44 P HA 0.284 nan 4.420 nan 0.000 0.275 44 P C -0.342 176.801 177.300 -0.262 0.000 1.266 44 P CA -0.138 62.804 63.100 -0.264 0.000 0.793 44 P CB 0.339 31.974 31.700 -0.108 0.000 1.074 45 F N -0.528 119.281 119.950 -0.235 0.000 2.072 45 F HA 0.416 4.943 4.527 0.000 0.000 0.233 45 F C 2.192 177.858 175.800 -0.224 0.000 0.907 45 F CA 0.571 58.386 58.000 -0.307 0.000 1.162 45 F CB -0.796 37.556 39.000 -1.080 0.000 1.966 45 F HN 0.347 nan 8.300 nan 0.000 0.579 46 G N -1.107 107.586 108.800 -0.178 0.000 3.969 46 G HA2 0.390 4.350 3.960 0.000 0.000 0.291 46 G HA3 0.390 4.350 3.960 0.000 0.000 0.291 46 G C -0.936 173.902 174.900 -0.103 0.000 1.016 46 G CA -0.050 45.081 45.100 0.052 0.000 0.819 46 G HN 0.364 nan 8.290 nan 0.000 0.493 47 F N -1.625 118.108 119.950 -0.361 0.000 2.715 47 F HA 0.697 5.224 4.527 0.000 0.000 0.318 47 F C -1.606 174.085 175.800 -0.182 0.000 1.141 47 F CA -2.362 55.460 58.000 -0.297 0.000 0.950 47 F CB 1.086 39.783 39.000 -0.505 0.000 1.374 47 F HN -0.099 nan 8.300 nan 0.000 0.477 48 D N 2.855 123.242 120.400 -0.021 0.000 2.396 48 D HA 0.385 5.025 4.640 0.000 0.000 0.225 48 D C -1.557 174.712 176.300 -0.052 0.000 1.121 48 D CA -2.589 51.367 54.000 -0.073 0.000 0.853 48 D CB 1.426 42.220 40.800 -0.010 0.000 1.043 48 D HN 0.256 nan 8.370 nan 0.000 0.500 49 P HA -0.210 nan 4.420 nan 0.000 0.217 49 P C 0.573 177.851 177.300 -0.037 0.000 1.148 49 P CA 1.126 64.121 63.100 -0.176 0.000 0.828 49 P CB 0.232 31.791 31.700 -0.236 0.000 0.783 50 K N -0.494 119.904 120.400 -0.004 0.000 2.515 50 K HA -0.065 4.255 4.320 0.000 0.000 0.196 50 K C 1.626 178.247 176.600 0.035 0.000 1.038 50 K CA 0.605 56.909 56.287 0.028 0.000 0.967 50 K CB -0.069 32.437 32.500 0.009 0.000 0.780 50 K HN 0.092 nan 8.250 nan 0.000 0.483 51 E N 0.660 120.873 120.200 0.021 0.000 2.474 51 E HA 0.043 4.393 4.350 0.000 0.000 0.195 51 E C -0.080 176.521 176.600 0.001 0.000 1.039 51 E CA 0.070 56.481 56.400 0.017 0.000 0.881 51 E CB 0.447 30.158 29.700 0.019 0.000 0.970 51 E HN -0.050 nan 8.360 nan 0.000 0.486 52 V N 1.929 121.828 119.914 -0.024 0.000 2.649 52 V HA 0.053 4.173 4.120 0.000 0.000 0.292 52 V C 1.161 177.292 176.094 0.061 0.000 1.055 52 V CA 0.083 62.322 62.300 -0.100 0.000 1.023 52 V CB 1.467 33.050 31.823 -0.401 0.000 0.992 52 V HN 0.062 nan 8.190 nan 0.000 0.480 53 D N 2.055 122.474 120.400 0.032 0.000 2.388 53 D HA 0.407 5.047 4.640 0.000 0.000 0.208 53 D C 0.407 176.795 176.300 0.147 0.000 1.035 53 D CA 0.935 54.989 54.000 0.089 0.000 0.875 53 D CB 1.388 42.212 40.800 0.039 0.000 0.984 53 D HN 0.667 nan 8.370 nan 0.000 0.508 54 A N 0.423 123.304 122.820 0.102 0.000 2.567 54 A HA 0.509 4.829 4.320 0.000 0.000 0.291 54 A C -1.851 175.750 177.584 0.029 0.000 1.048 54 A CA -0.606 51.534 52.037 0.171 0.000 0.661 54 A CB 1.823 20.953 19.000 0.215 0.000 1.288 54 A HN 0.004 nan 8.150 nan 0.000 0.424 55 V N 0.616 120.592 119.914 0.103 0.000 2.777 55 V HA 0.788 4.908 4.120 0.000 0.000 0.306 55 V C -2.141 174.044 176.094 0.151 0.000 1.112 55 V CA -0.608 61.701 62.300 0.015 0.000 0.917 55 V CB 1.482 33.235 31.823 -0.118 0.000 1.018 55 V HN 0.994 nan 8.190 nan 0.000 0.426 56 L N 6.679 127.982 121.223 0.133 0.000 2.346 56 L HA 0.718 5.058 4.340 0.000 0.000 0.276 56 L C -0.763 176.254 176.870 0.245 0.000 1.006 56 L CA -0.512 54.479 54.840 0.253 0.000 0.817 56 L CB 1.773 43.946 42.059 0.190 0.000 1.272 56 L HN 0.544 nan 8.230 nan 0.000 0.421 57 L N 2.188 123.573 121.223 0.271 0.000 2.305 57 L HA 0.440 4.780 4.340 0.000 0.000 0.284 57 L C 1.363 178.250 176.870 0.028 0.000 1.013 57 L CA -0.128 54.783 54.840 0.118 0.000 0.819 57 L CB 1.211 43.288 42.059 0.029 0.000 1.227 57 L HN 0.836 nan 8.230 nan 0.000 0.417 58 T N -0.768 113.807 114.554 0.035 0.000 2.812 58 T HA 0.009 4.359 4.350 0.000 0.000 0.264 58 T C 0.623 175.231 174.700 -0.154 0.000 1.042 58 T CA 1.097 63.164 62.100 -0.054 0.000 1.140 58 T CB -0.178 68.744 68.868 0.091 0.000 0.870 58 T HN 0.676 nan 8.240 nan 0.000 0.445 59 H N -1.813 117.105 119.070 -0.254 0.000 2.960 59 H HA 0.701 5.257 4.556 0.000 0.000 0.323 59 H C 0.524 175.725 175.328 -0.211 0.000 1.326 59 H CA -0.512 55.360 56.048 -0.293 0.000 1.124 59 H CB 1.212 30.781 29.762 -0.322 0.000 1.853 59 H HN 0.080 nan 8.280 nan 0.000 0.536 60 A N -0.034 122.718 122.820 -0.114 0.000 2.238 60 A HA 0.035 4.355 4.320 0.000 0.000 0.208 60 A C 0.472 178.063 177.584 0.012 0.000 1.177 60 A CA -0.035 51.945 52.037 -0.096 0.000 0.804 60 A CB -1.320 17.615 19.000 -0.108 0.000 0.823 60 A HN 0.675 nan 8.150 nan 0.000 0.482 61 H N -0.862 118.259 119.070 0.085 0.000 2.913 61 H HA 0.038 4.594 4.556 0.000 0.000 0.365 61 H C 1.146 176.531 175.328 0.094 0.000 1.155 61 H CA -0.563 55.566 56.048 0.135 0.000 1.417 61 H CB 0.628 30.571 29.762 0.301 0.000 1.386 61 H HN 0.081 nan 8.280 nan 0.000 0.614 62 L N 1.673 123.048 121.223 0.253 0.000 2.017 62 L HA -0.181 4.159 4.340 0.000 0.000 0.208 62 L C 2.078 179.035 176.870 0.145 0.000 1.073 62 L CA 1.664 56.603 54.840 0.164 0.000 0.745 62 L CB -1.078 41.070 42.059 0.148 0.000 0.894 62 L HN 0.827 nan 8.230 nan 0.000 0.432 63 D N -2.116 118.382 120.400 0.164 0.000 2.379 63 D HA -0.200 4.440 4.640 0.000 0.000 0.243 63 D C 1.065 177.341 176.300 -0.040 0.000 1.088 63 D CA 0.756 54.800 54.000 0.075 0.000 0.925 63 D CB -0.120 40.740 40.800 0.101 0.000 0.888 63 D HN 0.530 nan 8.370 nan 0.000 0.529 64 H N -1.342 117.723 119.070 -0.009 0.000 3.650 64 H HA 0.154 4.710 4.556 0.000 0.000 0.260 64 H C 0.666 175.945 175.328 -0.083 0.000 1.194 64 H CA 0.058 56.051 56.048 -0.092 0.000 1.135 64 H CB 1.692 31.272 29.762 -0.304 0.000 1.612 64 H HN 0.139 nan 8.280 nan 0.000 0.703 65 V N -0.372 119.581 119.914 0.064 0.000 3.406 65 V HA 0.193 4.313 4.120 0.000 0.000 0.266 65 V C 1.761 177.871 176.094 0.027 0.000 1.697 65 V CA 0.948 63.267 62.300 0.031 0.000 1.046 65 V CB 0.615 32.441 31.823 0.005 0.000 0.879 65 V HN 0.339 nan 8.190 nan 0.000 0.399 66 G N 0.278 109.117 108.800 0.065 0.000 2.653 66 G HA2 -0.122 3.838 3.960 0.000 0.000 0.212 66 G HA3 -0.122 3.838 3.960 0.000 0.000 0.212 66 G C 1.328 176.327 174.900 0.165 0.000 1.138 66 G CA 0.626 45.787 45.100 0.103 0.000 0.782 66 G HN 0.465 nan 8.290 nan 0.000 0.535 67 R N -1.126 119.462 120.500 0.148 0.000 2.404 67 R HA 0.238 4.578 4.340 0.000 0.000 0.237 67 R C 1.890 178.319 176.300 0.215 0.000 0.907 67 R CA -0.422 55.841 56.100 0.271 0.000 1.063 67 R CB 0.002 30.460 30.300 0.263 0.000 1.134 67 R HN 0.319 nan 8.270 nan 0.000 0.529 68 L N 3.078 124.356 121.223 0.091 0.000 1.971 68 L HA -0.104 4.237 4.340 0.000 0.000 0.215 68 L C -0.987 175.994 176.870 0.185 0.000 1.072 68 L CA 2.238 57.164 54.840 0.144 0.000 0.758 68 L CB -0.905 41.205 42.059 0.085 0.000 0.889 68 L HN 0.007 nan 8.230 nan 0.000 0.433 69 P HA -0.280 nan 4.420 nan 0.000 0.217 69 P C 1.414 178.763 177.300 0.082 0.000 1.151 69 P CA 2.006 64.978 63.100 -0.213 0.000 0.849 69 P CB -0.194 30.963 31.700 -0.905 0.000 0.787 70 K N -0.297 120.198 120.400 0.159 0.000 2.097 70 K HA -0.136 4.184 4.320 0.000 0.000 0.205 70 K C 2.220 179.070 176.600 0.417 0.000 1.050 70 K CA 0.777 57.301 56.287 0.397 0.000 0.938 70 K CB -0.608 32.203 32.500 0.519 0.000 0.718 70 K HN -0.039 nan 8.250 nan 0.000 0.442 71 L N 0.695 122.184 121.223 0.444 0.000 2.079 71 L HA -0.102 4.238 4.340 0.000 0.000 0.210 71 L C 1.756 178.726 176.870 0.168 0.000 1.081 71 L CA 1.694 56.681 54.840 0.245 0.000 0.752 71 L CB -0.426 41.640 42.059 0.012 0.000 0.896 71 L HN 0.140 nan 8.230 nan 0.000 0.433 72 F N -0.546 119.507 119.950 0.173 0.000 2.293 72 F HA 0.000 4.527 4.527 0.000 0.000 0.297 72 F C 2.663 178.537 175.800 0.122 0.000 1.089 72 F CA 1.274 59.363 58.000 0.147 0.000 1.377 72 F CB -0.510 38.553 39.000 0.105 0.000 1.051 72 F HN 0.061 nan 8.300 nan 0.000 0.511 73 R N 1.185 121.879 120.500 0.323 0.000 2.083 73 R HA -0.168 4.172 4.340 0.000 0.000 0.237 73 R C 1.416 177.824 176.300 0.180 0.000 1.137 73 R CA 1.914 58.155 56.100 0.235 0.000 0.951 73 R CB -0.446 30.004 30.300 0.250 0.000 0.851 73 R HN 0.279 nan 8.270 nan 0.000 0.434 74 E N -0.923 119.389 120.200 0.187 0.000 2.505 74 E HA 0.016 4.366 4.350 0.000 0.000 0.197 74 E C 0.541 177.193 176.600 0.086 0.000 1.111 74 E CA 0.506 56.988 56.400 0.136 0.000 0.887 74 E CB 0.413 30.217 29.700 0.174 0.000 0.913 74 E HN 0.759 nan 8.360 nan 0.000 0.517 75 G N 1.143 109.991 108.800 0.081 0.000 2.211 75 G HA2 -0.290 3.670 3.960 0.000 0.000 0.201 75 G HA3 -0.290 3.670 3.960 0.000 0.000 0.201 75 G C -0.098 174.789 174.900 -0.022 0.000 0.997 75 G CA -0.233 44.887 45.100 0.033 0.000 0.652 75 G HN 0.428 nan 8.290 nan 0.000 0.500 76 Y N 1.957 122.115 120.300 -0.236 0.000 2.425 76 Y HA 0.557 5.107 4.550 0.000 0.000 0.331 76 Y C 1.135 176.703 175.900 -0.552 0.000 1.157 76 Y CA -0.107 57.723 58.100 -0.450 0.000 1.372 76 Y CB 0.519 38.561 38.460 -0.696 0.000 1.253 76 Y HN 0.014 nan 8.280 nan 0.000 0.536 77 R N 4.425 124.172 120.500 -1.255 0.000 2.563 77 R HA 0.218 4.558 4.340 0.000 0.000 0.443 77 R C 0.114 175.718 176.300 -1.161 0.000 0.956 77 R CA 0.150 55.608 56.100 -1.070 0.000 1.141 77 R CB 0.644 30.691 30.300 -0.422 0.000 1.553 77 R HN 0.873 nan 8.270 nan 0.000 0.577 78 G N 1.843 109.588 108.800 -1.759 0.000 2.537 78 G HA2 0.431 4.391 3.960 0.000 0.000 0.297 78 G HA3 0.431 4.391 3.960 0.000 0.000 0.297 78 G C -2.453 172.222 174.900 -0.376 0.000 1.310 78 G CA -0.965 43.707 45.100 -0.713 0.000 1.027 78 G HN -0.130 nan 8.290 nan 0.000 0.505 79 P HA 0.312 nan 4.420 nan 0.000 0.277 79 P C -0.869 176.397 177.300 -0.056 0.000 1.240 79 P CA -0.291 62.757 63.100 -0.087 0.000 0.798 79 P CB 1.822 33.392 31.700 -0.216 0.000 0.979 80 V N 3.651 123.472 119.914 -0.156 0.000 2.357 80 V HA 0.230 4.350 4.120 0.000 0.000 0.281 80 V C -0.462 175.521 176.094 -0.186 0.000 1.015 80 V CA -0.572 61.718 62.300 -0.015 0.000 0.827 80 V CB 0.080 32.010 31.823 0.178 0.000 1.018 80 V HN 0.387 nan 8.190 nan 0.000 0.432 81 Y N 2.900 123.276 120.300 0.126 0.000 2.304 81 Y HA 0.736 5.286 4.550 0.000 0.000 0.328 81 Y C 0.599 176.654 175.900 0.258 0.000 1.123 81 Y CA -0.001 58.181 58.100 0.136 0.000 1.218 81 Y CB 1.520 40.008 38.460 0.045 0.000 1.207 81 Y HN 0.771 nan 8.280 nan 0.000 0.495 82 A N 0.800 123.830 122.820 0.351 0.000 2.608 82 A HA 0.589 4.909 4.320 0.000 0.000 0.292 82 A C -0.389 177.187 177.584 -0.012 0.000 1.066 82 A CA -0.776 51.339 52.037 0.130 0.000 0.676 82 A CB 0.365 19.349 19.000 -0.026 0.000 1.277 82 A HN 0.684 nan 8.150 nan 0.000 0.413 83 T N -0.780 113.578 114.554 -0.328 0.000 2.860 83 T HA 0.369 4.719 4.350 0.000 0.000 0.299 83 T C 1.178 175.728 174.700 -0.250 0.000 1.045 83 T CA 0.163 62.070 62.100 -0.322 0.000 1.071 83 T CB 0.636 69.145 68.868 -0.598 0.000 0.985 83 T HN 0.661 nan 8.240 nan 0.000 0.537 84 R N 1.503 121.930 120.500 -0.121 0.000 2.112 84 R HA -0.102 4.238 4.340 0.000 0.000 0.242 84 R C 2.862 179.006 176.300 -0.260 0.000 1.137 84 R CA 2.060 58.105 56.100 -0.092 0.000 0.944 84 R CB -1.337 29.003 30.300 0.066 0.000 0.857 84 R HN 0.901 nan 8.270 nan 0.000 0.435 85 A N -0.494 121.951 122.820 -0.626 0.000 1.958 85 A HA -0.235 4.086 4.320 0.000 0.000 0.221 85 A C 2.142 179.432 177.584 -0.491 0.000 1.178 85 A CA 2.342 53.910 52.037 -0.781 0.000 0.642 85 A CB -0.984 17.029 19.000 -1.645 0.000 0.816 85 A HN 0.434 nan 8.150 nan 0.000 0.453 86 T N -0.630 113.649 114.554 -0.458 0.000 2.812 86 T HA -0.063 4.287 4.350 0.000 0.000 0.264 86 T C 1.864 176.440 174.700 -0.206 0.000 1.042 86 T CA 1.369 63.283 62.100 -0.311 0.000 1.140 86 T CB -0.361 68.322 68.868 -0.310 0.000 0.870 86 T HN 0.187 nan 8.240 nan 0.000 0.445 87 V N 1.643 121.447 119.914 -0.184 0.000 2.407 87 V HA -0.103 4.017 4.120 0.000 0.000 0.248 87 V C 2.442 178.471 176.094 -0.108 0.000 1.055 87 V CA 1.424 63.650 62.300 -0.123 0.000 1.049 87 V CB -0.695 31.069 31.823 -0.098 0.000 0.662 87 V HN 0.427 nan 8.190 nan 0.000 0.455 88 L N -1.038 120.114 121.223 -0.120 0.000 2.023 88 L HA 0.004 4.344 4.340 0.000 0.000 0.205 88 L C 1.400 178.224 176.870 -0.077 0.000 1.073 88 L CA 0.773 55.562 54.840 -0.086 0.000 0.745 88 L CB -0.381 41.632 42.059 -0.076 0.000 0.900 88 L HN 0.230 nan 8.230 nan 0.000 0.435 92 I N 1.317 121.877 120.570 -0.018 0.000 2.244 92 I HA -0.162 4.008 4.170 0.000 0.000 0.231 92 I C 2.253 178.377 176.117 0.012 0.000 1.065 92 I CA 0.823 62.123 61.300 -0.001 0.000 1.358 92 I CB -0.262 37.739 38.000 0.001 0.000 1.130 92 I HN -0.086 nan 8.210 nan 0.000 0.411 93 V N 1.543 121.469 119.914 0.020 0.000 2.353 93 V HA -0.348 3.772 4.120 0.000 0.000 0.260 93 V C 2.380 178.501 176.094 0.045 0.000 1.091 93 V CA 1.983 64.310 62.300 0.046 0.000 1.088 93 V CB -0.665 31.192 31.823 0.057 0.000 0.672 93 V HN 0.358 nan 8.190 nan 0.000 0.455 94 L N -0.972 120.262 121.223 0.018 0.000 2.023 94 L HA -0.098 4.242 4.340 0.000 0.000 0.205 94 L C 2.760 179.658 176.870 0.046 0.000 1.073 94 L CA 1.366 56.216 54.840 0.016 0.000 0.745 94 L CB -0.657 41.376 42.059 -0.044 0.000 0.900 94 L HN 0.321 nan 8.230 nan 0.000 0.435 95 E N 0.220 120.436 120.200 0.027 0.000 2.049 95 E HA -0.308 4.042 4.350 0.000 0.000 0.198 95 E C 1.717 178.340 176.600 0.039 0.000 1.007 95 E CA 1.689 58.108 56.400 0.030 0.000 0.809 95 E CB -0.554 29.154 29.700 0.014 0.000 0.749 95 E HN 0.507 nan 8.360 nan 0.000 0.450 96 D N 0.546 120.968 120.400 0.038 0.000 2.103 96 D HA -0.202 4.438 4.640 0.000 0.000 0.190 96 D C 1.879 178.210 176.300 0.052 0.000 0.997 96 D CA 1.960 55.984 54.000 0.041 0.000 0.833 96 D CB 0.041 40.869 40.800 0.047 0.000 0.961 96 D HN 0.084 nan 8.370 nan 0.000 0.447 97 A N 0.722 123.587 122.820 0.075 0.000 1.948 97 A HA -0.178 4.142 4.320 0.000 0.000 0.220 97 A C 2.309 179.934 177.584 0.070 0.000 1.177 97 A CA 1.668 53.761 52.037 0.094 0.000 0.636 97 A CB -0.833 18.249 19.000 0.136 0.000 0.815 97 A HN 0.427 nan 8.150 nan 0.000 0.449 98 L N -0.121 121.153 121.223 0.084 0.000 1.988 98 L HA -0.101 4.239 4.340 0.000 0.000 0.207 98 L C 2.288 179.144 176.870 -0.022 0.000 1.071 98 L CA 2.761 57.616 54.840 0.025 0.000 0.744 98 L CB -0.690 41.423 42.059 0.089 0.000 0.893 98 L HN 0.413 nan 8.230 nan 0.000 0.433 99 K N -0.720 119.682 120.400 0.004 0.000 2.218 99 K HA -0.113 4.207 4.320 0.000 0.000 0.205 99 K C 0.597 177.194 176.600 -0.005 0.000 1.046 99 K CA 1.381 57.667 56.287 -0.003 0.000 0.933 99 K CB -0.134 32.369 32.500 0.005 0.000 0.728 99 K HN 0.423 nan 8.250 nan 0.000 0.454 103 E N 0.720 120.946 120.200 0.044 0.000 2.560 103 E HA -0.142 4.208 4.350 0.000 0.000 0.158 103 E C -2.476 174.247 176.600 0.205 0.000 1.709 103 E CA 0.254 56.706 56.400 0.085 0.000 0.653 103 E CB -0.814 28.912 29.700 0.043 0.000 1.090 103 E HN 0.221 nan 8.360 nan 0.000 0.355 104 P HA 0.281 nan 4.420 nan 0.000 0.288 104 P C -0.325 176.885 177.300 -0.150 0.000 1.267 104 P CA -0.429 62.575 63.100 -0.160 0.000 0.815 104 P CB 0.508 31.957 31.700 -0.419 0.000 0.989 105 F N 1.707 121.373 119.950 -0.473 0.000 2.408 105 F HA 0.686 5.213 4.527 0.000 0.000 0.325 105 F C 0.227 175.777 175.800 -0.416 0.000 1.082 105 F CA -1.428 56.312 58.000 -0.434 0.000 1.032 105 F CB 0.129 38.773 39.000 -0.593 0.000 1.259 105 F HN 0.454 nan 8.300 nan 0.000 0.503 106 F N -1.018 118.913 119.950 -0.032 0.000 2.018 106 F HA 0.121 4.648 4.527 0.000 0.000 0.384 106 F C -0.285 175.444 175.800 -0.119 0.000 1.147 106 F CA -0.533 57.425 58.000 -0.070 0.000 1.245 106 F CB -1.432 37.513 39.000 -0.091 0.000 1.982 106 F HN 1.005 nan 8.300 nan 0.000 0.729 107 G N 3.794 112.669 108.800 0.125 0.000 2.491 107 G HA2 0.685 4.646 3.960 0.000 0.000 0.327 107 G HA3 0.685 4.646 3.960 0.000 0.000 0.327 107 G C -1.883 173.113 174.900 0.160 0.000 1.189 107 G CA -1.089 44.029 45.100 0.030 0.000 0.956 107 G HN 0.605 nan 8.290 nan 0.000 0.491 108 P HA -0.197 nan 4.420 nan 0.000 0.216 108 P C 1.399 178.740 177.300 0.068 0.000 1.150 108 P CA 1.543 64.694 63.100 0.085 0.000 0.843 108 P CB 0.176 31.896 31.700 0.033 0.000 0.787 109 E N 0.093 120.327 120.200 0.057 0.000 2.333 109 E HA -0.184 4.166 4.350 0.000 0.000 0.198 109 E C 1.256 177.886 176.600 0.050 0.000 1.007 109 E CA 1.055 57.480 56.400 0.041 0.000 0.845 109 E CB -0.999 28.725 29.700 0.040 0.000 0.766 109 E HN 0.296 nan 8.360 nan 0.000 0.507 110 D N 1.115 121.570 120.400 0.093 0.000 2.162 110 D HA -0.044 4.596 4.640 0.000 0.000 0.205 110 D C 2.230 178.519 176.300 -0.019 0.000 0.964 110 D CA 1.074 55.132 54.000 0.095 0.000 0.847 110 D CB 0.114 41.031 40.800 0.195 0.000 0.988 110 D HN 0.115 nan 8.370 nan 0.000 0.480 111 V N 1.887 121.794 119.914 -0.011 0.000 2.407 111 V HA -0.248 3.872 4.120 0.000 0.000 0.248 111 V C 2.400 178.412 176.094 -0.137 0.000 1.055 111 V CA 2.094 64.325 62.300 -0.116 0.000 1.049 111 V CB -0.750 31.057 31.823 -0.027 0.000 0.662 111 V HN 0.257 nan 8.190 nan 0.000 0.455 112 E N 0.969 121.118 120.200 -0.084 0.000 2.285 112 E HA -0.198 4.152 4.350 0.000 0.000 0.194 112 E C 1.892 178.407 176.600 -0.141 0.000 0.997 112 E CA 1.303 57.644 56.400 -0.099 0.000 0.845 112 E CB -0.253 29.414 29.700 -0.056 0.000 0.782 112 E HN 0.581 nan 8.360 nan 0.000 0.491 113 E N 0.879 120.997 120.200 -0.138 0.000 2.072 113 E HA -0.004 4.347 4.350 0.000 0.000 0.190 113 E C 1.910 178.288 176.600 -0.369 0.000 0.982 113 E CA 1.528 57.852 56.400 -0.128 0.000 0.803 113 E CB -0.485 29.228 29.700 0.021 0.000 0.755 113 E HN 0.342 nan 8.360 nan 0.000 0.453 114 A N 0.593 123.001 122.820 -0.687 0.000 1.841 114 A HA -0.190 4.130 4.320 0.000 0.000 0.216 114 A C 2.083 179.335 177.584 -0.554 0.000 1.199 114 A CA 1.791 53.119 52.037 -1.182 0.000 0.621 114 A CB -1.094 17.439 19.000 -0.779 0.000 0.835 114 A HN 0.329 nan 8.150 nan 0.000 0.445 115 L N 0.199 121.222 121.223 -0.332 0.000 2.197 115 L HA -0.167 4.173 4.340 0.000 0.000 0.215 115 L C 2.601 179.353 176.870 -0.197 0.000 1.095 115 L CA 1.822 56.537 54.840 -0.209 0.000 0.764 115 L CB -1.134 40.833 42.059 -0.155 0.000 0.897 115 L HN 0.467 nan 8.230 nan 0.000 0.436 116 G N -2.610 106.042 108.800 -0.247 0.000 2.534 116 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 116 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 116 G C 1.211 175.887 174.900 -0.373 0.000 1.128 116 G CA 0.215 45.140 45.100 -0.292 0.000 0.784 116 G HN 0.486 nan 8.290 nan 0.000 0.542 117 H N -0.456 118.521 119.070 -0.156 0.000 2.505 117 H HA 0.305 4.861 4.556 0.000 0.000 0.286 117 H C 0.143 175.415 175.328 -0.093 0.000 1.072 117 H CA -0.334 55.671 56.048 -0.073 0.000 1.141 117 H CB 0.457 30.280 29.762 0.102 0.000 1.550 117 H HN 0.182 nan 8.280 nan 0.000 0.547 118 L N 2.082 123.277 121.223 -0.048 0.000 2.281 118 L HA 0.265 4.605 4.340 0.000 0.000 0.285 118 L C 0.441 177.249 176.870 -0.103 0.000 1.074 118 L CA 0.014 54.808 54.840 -0.076 0.000 0.817 118 L CB 0.770 42.782 42.059 -0.079 0.000 1.168 118 L HN -0.068 nan 8.230 nan 0.000 0.434 119 R N 4.342 124.737 120.500 -0.175 0.000 2.494 119 R HA 0.432 4.772 4.340 0.000 0.000 0.305 119 R C -2.475 173.822 176.300 -0.004 0.000 0.959 119 R CA -1.980 54.043 56.100 -0.128 0.000 0.864 119 R CB 1.758 31.911 30.300 -0.246 0.000 1.159 119 R HN 0.281 nan 8.270 nan 0.000 0.446 120 P HA 0.083 nan 4.420 nan 0.000 0.269 120 P C -1.092 176.304 177.300 0.160 0.000 1.209 120 P CA -0.361 62.785 63.100 0.076 0.000 0.776 120 P CB 0.608 32.331 31.700 0.038 0.000 0.876 121 L N 1.895 123.219 121.223 0.168 0.000 2.680 121 L HA 0.310 4.650 4.340 0.000 0.000 0.260 121 L C -0.568 176.387 176.870 0.142 0.000 0.975 121 L CA -0.324 54.617 54.840 0.169 0.000 0.920 121 L CB 1.067 43.260 42.059 0.224 0.000 1.234 121 L HN 0.162 nan 8.230 nan 0.000 0.429 122 E N 2.212 122.421 120.200 0.016 0.000 2.385 122 E HA 0.257 4.607 4.350 0.000 0.000 0.254 122 E C -0.875 175.668 176.600 -0.095 0.000 1.228 122 E CA -0.379 55.959 56.400 -0.102 0.000 0.956 122 E CB 0.289 29.955 29.700 -0.057 0.000 1.116 122 E HN 0.389 nan 8.360 nan 0.000 0.507 123 Y N -0.060 120.250 120.300 0.017 0.000 2.632 123 Y HA 0.257 4.807 4.550 0.000 0.000 0.329 123 Y C 1.613 177.442 175.900 -0.118 0.000 1.174 123 Y CA 1.054 59.121 58.100 -0.055 0.000 1.469 123 Y CB -0.004 38.404 38.460 -0.085 0.000 1.242 123 Y HN 0.686 nan 8.280 nan 0.000 0.540 124 G N 2.401 111.160 108.800 -0.068 0.000 2.225 124 G HA2 -0.284 3.677 3.960 0.000 0.000 0.264 124 G HA3 -0.284 3.677 3.960 0.000 0.000 0.264 124 G C -0.224 174.515 174.900 -0.268 0.000 1.060 124 G CA -0.092 44.884 45.100 -0.207 0.000 0.833 124 G HN 0.630 nan 8.290 nan 0.000 0.498 125 E N -0.827 119.158 120.200 -0.359 0.000 2.185 125 E HA 0.438 4.788 4.350 0.000 0.000 0.261 125 E C -0.352 176.024 176.600 -0.373 0.000 0.879 125 E CA -0.999 55.261 56.400 -0.234 0.000 0.756 125 E CB 0.920 30.554 29.700 -0.110 0.000 1.152 125 E HN 0.331 nan 8.360 nan 0.000 0.416 126 W N 4.101 125.357 121.300 -0.074 0.000 2.287 126 W HA 0.280 4.940 4.660 0.000 0.000 0.313 126 W C -0.326 176.103 176.519 -0.150 0.000 1.267 126 W CA -0.566 56.714 57.345 -0.108 0.000 1.201 126 W CB 0.547 29.964 29.460 -0.072 0.000 1.196 126 W HN 0.294 nan 8.180 nan 0.000 0.536 127 L N 5.405 126.647 121.223 0.031 0.000 2.298 127 L HA 0.494 4.834 4.340 0.000 0.000 0.284 127 L C -0.484 176.368 176.870 -0.031 0.000 1.013 127 L CA -1.082 53.680 54.840 -0.130 0.000 0.824 127 L CB 0.590 42.406 42.059 -0.404 0.000 1.221 127 L HN 0.262 nan 8.230 nan 0.000 0.418 128 R N 6.624 127.107 120.500 -0.028 0.000 2.198 128 R HA 0.405 4.745 4.340 0.000 0.000 0.339 128 R C -1.009 175.272 176.300 -0.032 0.000 1.020 128 R CA -0.299 55.792 56.100 -0.016 0.000 0.864 128 R CB 0.820 31.113 30.300 -0.010 0.000 1.105 128 R HN 0.670 nan 8.270 nan 0.000 0.463 129 L N 2.406 123.612 121.223 -0.029 0.000 2.603 129 L HA 0.255 4.595 4.340 0.000 0.000 0.242 129 L C 0.537 177.399 176.870 -0.014 0.000 1.169 129 L CA -0.571 54.257 54.840 -0.021 0.000 1.029 129 L CB 1.059 43.104 42.059 -0.023 0.000 1.361 129 L HN 0.817 nan 8.230 nan 0.000 0.439 130 G N 2.145 110.937 108.800 -0.013 0.000 2.329 130 G HA2 -0.088 3.872 3.960 0.000 0.000 0.204 130 G HA3 -0.088 3.872 3.960 0.000 0.000 0.204 130 G C 0.995 175.885 174.900 -0.017 0.000 0.435 130 G CA 0.416 45.508 45.100 -0.014 0.000 0.977 130 G HN 1.193 nan 8.290 nan 0.000 0.366 131 A N 0.082 122.888 122.820 -0.024 0.000 3.413 131 A HA -0.085 4.235 4.320 0.000 0.000 0.268 131 A C 0.753 178.322 177.584 -0.025 0.000 1.128 131 A CA 2.090 54.111 52.037 -0.028 0.000 1.062 131 A CB -1.507 17.479 19.000 -0.023 0.000 1.121 131 A HN 2.417 nan 8.150 nan 0.000 0.895 132 L N -0.264 120.947 121.223 -0.020 0.000 2.342 132 L HA 0.884 5.224 4.340 0.000 0.000 0.271 132 L C -0.181 176.689 176.870 0.001 0.000 1.008 132 L CA -0.096 54.738 54.840 -0.010 0.000 0.818 132 L CB 2.274 44.327 42.059 -0.010 0.000 1.296 132 L HN 0.361 nan 8.230 nan 0.000 0.427 133 S N 4.729 120.450 115.700 0.035 0.000 2.672 133 S HA 0.812 5.282 4.470 0.000 0.000 0.291 133 S C -1.136 173.618 174.600 0.257 0.000 1.145 133 S CA -0.393 57.877 58.200 0.116 0.000 1.013 133 S CB 1.165 64.361 63.200 -0.006 0.000 1.017 133 S HN 0.446 nan 8.310 nan 0.000 0.487 134 L N 2.255 123.609 121.223 0.219 0.000 2.341 134 L HA 1.024 5.364 4.340 0.000 0.000 0.267 134 L C -0.128 176.623 176.870 -0.199 0.000 1.009 134 L CA -0.461 54.411 54.840 0.053 0.000 0.819 134 L CB 1.786 43.780 42.059 -0.108 0.000 1.323 134 L HN 0.750 nan 8.230 nan 0.000 0.425 135 A N 0.661 123.208 122.820 -0.455 0.000 2.604 135 A HA 0.825 5.145 4.320 0.000 0.000 0.295 135 A C -1.692 175.587 177.584 -0.507 0.000 1.067 135 A CA -0.431 51.119 52.037 -0.811 0.000 0.683 135 A CB 0.939 18.937 19.000 -1.669 0.000 1.281 135 A HN 0.325 nan 8.150 nan 0.000 0.407 136 F N 0.567 120.314 119.950 -0.339 0.000 2.377 136 F HA 0.674 5.201 4.527 0.000 0.000 0.328 136 F C 1.085 176.707 175.800 -0.297 0.000 1.094 136 F CA -0.208 57.644 58.000 -0.246 0.000 1.093 136 F CB 2.103 40.970 39.000 -0.222 0.000 1.214 136 F HN 0.752 nan 8.300 nan 0.000 0.518 137 G N 0.980 109.538 108.800 -0.403 0.000 2.571 137 G HA2 0.440 4.400 3.960 0.000 0.000 0.304 137 G HA3 0.440 4.400 3.960 0.000 0.000 0.304 137 G C -1.515 172.767 174.900 -1.029 0.000 1.314 137 G CA -0.793 43.736 45.100 -0.951 0.000 0.975 137 G HN 0.445 nan 8.290 nan 0.000 0.485 138 Q N 0.564 119.953 119.800 -0.684 0.000 2.264 138 Q HA 0.374 4.714 4.340 0.000 0.000 0.296 138 Q C 0.894 176.786 176.000 -0.179 0.000 1.103 138 Q CA 0.979 56.429 55.803 -0.589 0.000 0.967 138 Q CB 1.026 29.473 28.738 -0.486 0.000 1.090 138 Q HN 0.651 nan 8.270 nan 0.000 0.379 139 A N 3.741 126.485 122.820 -0.128 0.000 2.140 139 A HA 0.380 4.701 4.320 0.000 0.000 0.209 139 A C 1.369 178.902 177.584 -0.085 0.000 1.181 139 A CA 0.472 52.516 52.037 0.010 0.000 0.824 139 A CB -0.446 18.532 19.000 -0.037 0.000 0.879 139 A HN 1.358 nan 8.150 nan 0.000 0.480 140 G N -0.039 108.685 108.800 -0.127 0.000 2.341 140 G HA2 -0.341 3.619 3.960 0.000 0.000 0.292 140 G HA3 -0.341 3.619 3.960 0.000 0.000 0.292 140 G C 0.592 175.404 174.900 -0.147 0.000 1.021 140 G CA 0.976 45.993 45.100 -0.138 0.000 0.905 140 G HN 0.930 nan 8.290 nan 0.000 0.508 141 H N -1.668 117.216 119.070 -0.311 0.000 2.755 141 H HA 0.565 5.121 4.556 0.000 0.000 0.273 141 H C 0.101 175.172 175.328 -0.429 0.000 1.055 141 H CA 0.765 56.573 56.048 -0.400 0.000 1.191 141 H CB 0.443 29.878 29.762 -0.544 0.000 1.536 141 H HN 0.460 nan 8.280 nan 0.000 0.529 142 L N 0.796 121.751 121.223 -0.446 0.000 2.789 142 L HA 0.311 4.651 4.340 0.000 0.000 0.258 142 L C -2.780 173.865 176.870 -0.375 0.000 0.966 142 L CA -1.341 53.215 54.840 -0.473 0.000 0.916 142 L CB 2.037 43.755 42.059 -0.569 0.000 1.475 142 L HN -0.123 nan 8.230 nan 0.000 0.418 143 P HA 0.280 nan 4.420 nan 0.000 0.257 143 P C 0.502 177.448 177.300 -0.591 0.000 1.189 143 P CA 1.503 64.256 63.100 -0.579 0.000 0.780 143 P CB 0.373 31.615 31.700 -0.763 0.000 0.772 144 G N 2.316 110.806 108.800 -0.516 0.000 2.141 144 G HA2 -0.225 3.735 3.960 0.000 0.000 0.242 144 G HA3 -0.225 3.735 3.960 0.000 0.000 0.242 144 G C 0.295 174.975 174.900 -0.367 0.000 0.982 144 G CA 0.159 44.895 45.100 -0.607 0.000 0.662 144 G HN 0.716 nan 8.290 nan 0.000 0.527 145 S N -0.395 115.175 115.700 -0.216 0.000 2.562 145 S HA 0.930 5.400 4.470 0.000 0.000 0.275 145 S C 0.266 174.813 174.600 -0.088 0.000 1.281 145 S CA 0.806 58.898 58.200 -0.180 0.000 1.045 145 S CB 2.383 65.471 63.200 -0.186 0.000 0.962 145 S HN 2.050 nan 8.310 nan 0.000 0.503 146 A N 1.722 124.450 122.820 -0.153 0.000 2.568 146 A HA 0.845 5.165 4.320 0.000 0.000 0.291 146 A C -1.021 176.559 177.584 -0.008 0.000 1.159 146 A CA -1.126 50.840 52.037 -0.118 0.000 0.679 146 A CB 0.651 19.572 19.000 -0.132 0.000 1.285 146 A HN 1.299 nan 8.150 nan 0.000 0.428 147 F N -1.045 118.987 119.950 0.137 0.000 2.575 147 F HA 0.840 5.367 4.527 0.000 0.000 0.330 147 F C -0.379 175.596 175.800 0.292 0.000 1.056 147 F CA -1.283 56.799 58.000 0.137 0.000 0.964 147 F CB 1.093 40.178 39.000 0.142 0.000 1.258 147 F HN 0.329 nan 8.300 nan 0.000 0.484 148 V N 1.473 121.737 119.914 0.583 0.000 2.716 148 V HA 0.579 4.699 4.120 0.000 0.000 0.304 148 V C -0.479 175.859 176.094 0.408 0.000 1.053 148 V CA -0.901 61.650 62.300 0.418 0.000 0.984 148 V CB 1.633 33.673 31.823 0.361 0.000 1.021 148 V HN 0.709 nan 8.190 nan 0.000 0.467 149 V N 2.648 122.701 119.914 0.231 0.000 2.398 149 V HA 0.642 4.763 4.120 0.000 0.000 0.282 149 V C 0.130 176.347 176.094 0.205 0.000 1.014 149 V CA -0.437 62.009 62.300 0.244 0.000 0.838 149 V CB 1.384 33.359 31.823 0.254 0.000 1.018 149 V HN 1.010 nan 8.190 nan 0.000 0.432 150 A N 4.340 127.269 122.820 0.181 0.000 2.276 150 A HA 0.779 5.099 4.320 0.000 0.000 0.316 150 A C -0.344 177.319 177.584 0.132 0.000 1.229 150 A CA -0.425 51.699 52.037 0.144 0.000 0.851 150 A CB 1.183 20.239 19.000 0.094 0.000 1.165 150 A HN 0.596 nan 8.150 nan 0.000 0.513 151 Q N 1.857 121.733 119.800 0.127 0.000 2.327 151 Q HA 0.594 4.934 4.340 0.000 0.000 0.270 151 Q C -0.823 175.188 176.000 0.018 0.000 1.022 151 Q CA -0.242 55.599 55.803 0.063 0.000 0.773 151 Q CB 1.730 30.491 28.738 0.039 0.000 1.251 151 Q HN 1.123 nan 8.270 nan 0.000 0.457 152 G N 2.478 111.281 108.800 0.006 0.000 2.715 152 G HA2 0.410 4.370 3.960 0.000 0.000 0.297 152 G HA3 0.410 4.370 3.960 0.000 0.000 0.297 152 G C -1.078 173.815 174.900 -0.012 0.000 1.386 152 G CA -0.599 44.495 45.100 -0.009 0.000 1.157 152 G HN 0.663 nan 8.290 nan 0.000 0.585 153 E N 0.282 120.470 120.200 -0.020 0.000 2.298 153 E HA -0.190 4.160 4.350 0.000 0.000 0.235 153 E C 1.476 178.065 176.600 -0.018 0.000 1.167 153 E CA 1.276 57.665 56.400 -0.019 0.000 0.708 153 E CB -1.179 28.513 29.700 -0.015 0.000 1.236 153 E HN 2.345 nan 8.360 nan 0.000 0.386 154 G N -0.189 108.597 108.800 -0.023 0.000 2.216 154 G HA2 -0.403 3.557 3.960 0.000 0.000 0.269 154 G HA3 -0.403 3.557 3.960 0.000 0.000 0.269 154 G C 0.226 175.117 174.900 -0.015 0.000 0.981 154 G CA 1.126 46.212 45.100 -0.022 0.000 0.658 154 G HN 0.230 nan 8.290 nan 0.000 0.539 155 R N -0.207 120.287 120.500 -0.010 0.000 2.732 155 R HA 0.724 5.064 4.340 0.000 0.000 0.278 155 R C -0.681 175.624 176.300 0.010 0.000 0.976 155 R CA -0.495 55.603 56.100 -0.002 0.000 0.963 155 R CB 1.183 31.482 30.300 -0.002 0.000 1.150 155 R HN 0.086 nan 8.270 nan 0.000 0.478 156 T N 2.366 116.930 114.554 0.016 0.000 2.812 156 T HA 0.415 4.765 4.350 0.000 0.000 0.282 156 T C -0.730 173.996 174.700 0.042 0.000 0.990 156 T CA -0.529 61.594 62.100 0.038 0.000 0.960 156 T CB 1.212 70.103 68.868 0.037 0.000 0.948 156 T HN 0.278 nan 8.240 nan 0.000 0.438 157 L N 4.499 125.763 121.223 0.069 0.000 2.334 157 L HA 0.915 5.255 4.340 0.000 0.000 0.270 157 L C -1.299 175.645 176.870 0.123 0.000 1.018 157 L CA -0.599 54.290 54.840 0.081 0.000 0.811 157 L CB 1.783 43.892 42.059 0.083 0.000 1.271 157 L HN 0.431 nan 8.230 nan 0.000 0.443 158 V N 3.788 123.786 119.914 0.140 0.000 2.610 158 V HA 0.249 4.369 4.120 0.000 0.000 0.298 158 V C -1.591 174.666 176.094 0.272 0.000 1.067 158 V CA -0.485 61.927 62.300 0.186 0.000 0.894 158 V CB 1.375 33.224 31.823 0.042 0.000 1.015 158 V HN 0.687 nan 8.190 nan 0.000 0.432 159 Y N 4.385 124.828 120.300 0.239 0.000 2.417 159 Y HA 0.372 4.922 4.550 0.000 0.000 0.336 159 Y C 1.522 177.618 175.900 0.326 0.000 0.961 159 Y CA 0.231 58.481 58.100 0.251 0.000 1.215 159 Y CB 2.029 40.632 38.460 0.239 0.000 1.120 159 Y HN 0.764 nan 8.280 nan 0.000 0.499 160 S N 3.916 119.486 115.700 -0.216 0.000 2.399 160 S HA 0.077 4.547 4.470 0.000 0.000 0.231 160 S C 1.441 175.749 174.600 -0.487 0.000 1.022 160 S CA 0.889 58.921 58.200 -0.280 0.000 0.983 160 S CB -0.943 61.990 63.200 -0.444 0.000 0.803 160 S HN 1.505 nan 8.310 nan 0.000 0.480 161 G N 1.717 109.873 108.800 -1.073 0.000 2.556 161 G HA2 -0.231 3.729 3.960 0.000 0.000 0.283 161 G HA3 -0.231 3.729 3.960 0.000 0.000 0.283 161 G C -0.969 173.692 174.900 -0.398 0.000 1.177 161 G CA 0.389 45.135 45.100 -0.589 0.000 0.978 161 G HN 0.569 nan 8.290 nan 0.000 0.554 162 D N 0.448 120.600 120.400 -0.414 0.000 2.375 162 D HA 0.635 5.275 4.640 0.000 0.000 0.247 162 D C -0.202 175.709 176.300 -0.647 0.000 1.061 162 D CA -0.377 53.230 54.000 -0.654 0.000 0.834 162 D CB 1.566 41.688 40.800 -1.130 0.000 1.247 162 D HN 0.338 nan 8.370 nan 0.000 0.489 163 L N 1.703 122.603 121.223 -0.538 0.000 2.307 163 L HA 0.528 4.868 4.340 0.000 0.000 0.282 163 L C 1.355 178.052 176.870 -0.288 0.000 1.051 163 L CA -0.334 54.227 54.840 -0.464 0.000 0.804 163 L CB 1.427 43.091 42.059 -0.658 0.000 1.197 163 L HN 0.390 nan 8.230 nan 0.000 0.431 164 G N 1.320 110.010 108.800 -0.184 0.000 2.535 164 G HA2 0.094 4.054 3.960 0.000 0.000 0.282 164 G HA3 0.094 4.054 3.960 0.000 0.000 0.282 164 G C -0.342 174.496 174.900 -0.104 0.000 1.350 164 G CA -0.553 44.477 45.100 -0.118 0.000 1.039 164 G HN 0.683 nan 8.290 nan 0.000 0.509 165 N N -0.465 118.175 118.700 -0.100 0.000 2.527 165 N HA 0.120 4.860 4.740 0.000 0.000 0.236 165 N C 1.812 177.274 175.510 -0.081 0.000 0.999 165 N CA -0.489 52.516 53.050 -0.074 0.000 0.935 165 N CB 0.561 38.985 38.487 -0.106 0.000 1.132 165 N HN 0.581 nan 8.380 nan 0.000 0.511 166 R N 2.911 123.382 120.500 -0.047 0.000 2.139 166 R HA -0.180 4.160 4.340 0.000 0.000 0.243 166 R C 0.649 176.904 176.300 -0.073 0.000 1.145 166 R CA 1.528 57.600 56.100 -0.047 0.000 0.976 166 R CB -0.124 30.173 30.300 -0.004 0.000 0.866 166 R HN 0.590 nan 8.270 nan 0.000 0.449 167 E N 0.958 121.118 120.200 -0.066 0.000 2.150 167 E HA -0.030 4.320 4.350 0.000 0.000 0.193 167 E C 0.200 176.565 176.600 -0.392 0.000 0.985 167 E CA 0.533 56.876 56.400 -0.097 0.000 0.814 167 E CB 0.113 29.841 29.700 0.046 0.000 0.752 167 E HN 0.327 nan 8.360 nan 0.000 0.466 168 K N 1.049 121.139 120.400 -0.516 0.000 2.402 168 K HA -0.062 4.258 4.320 0.000 0.000 0.265 168 K C 0.305 176.573 176.600 -0.553 0.000 0.978 168 K CA 0.278 56.011 56.287 -0.923 0.000 0.913 168 K CB 0.336 32.612 32.500 -0.373 0.000 0.954 168 K HN 0.012 nan 8.250 nan 0.000 0.511 169 D N 0.325 120.477 120.400 -0.414 0.000 2.380 169 D HA -0.030 4.610 4.640 0.000 0.000 0.212 169 D C 1.796 178.025 176.300 -0.119 0.000 1.021 169 D CA 0.510 54.441 54.000 -0.116 0.000 0.884 169 D CB 0.273 41.168 40.800 0.159 0.000 1.001 169 D HN 0.140 nan 8.370 nan 0.000 0.506 170 V N 1.444 121.272 119.914 -0.143 0.000 2.237 170 V HA -0.133 3.987 4.120 0.000 0.000 0.245 170 V C 1.160 177.264 176.094 0.018 0.000 1.046 170 V CA 1.024 63.230 62.300 -0.157 0.000 1.007 170 V CB -0.173 31.634 31.823 -0.028 0.000 0.638 170 V HN 0.112 nan 8.190 nan 0.000 0.445 171 L N 0.978 122.199 121.223 -0.004 0.000 2.421 171 L HA 0.414 4.754 4.340 0.000 0.000 0.263 171 L C -2.036 174.800 176.870 -0.056 0.000 1.122 171 L CA -2.119 52.709 54.840 -0.019 0.000 0.804 171 L CB -0.159 41.841 42.059 -0.099 0.000 1.150 171 L HN 0.131 nan 8.230 nan 0.000 0.457 172 P HA 0.114 nan 4.420 nan 0.000 0.276 172 P C -0.909 176.342 177.300 -0.082 0.000 1.261 172 P CA -0.625 62.430 63.100 -0.074 0.000 0.800 172 P CB 0.742 32.386 31.700 -0.092 0.000 1.066 173 D N 1.038 121.402 120.400 -0.060 0.000 2.414 173 D HA 0.182 4.822 4.640 0.000 0.000 0.242 173 D C -1.907 174.378 176.300 -0.024 0.000 1.129 173 D CA -0.797 53.180 54.000 -0.038 0.000 0.885 173 D CB -0.830 39.963 40.800 -0.012 0.000 1.198 173 D HN 0.213 nan 8.370 nan 0.000 0.437 174 P HA -0.005 nan 4.420 nan 0.000 0.270 174 P C -0.231 177.168 177.300 0.164 0.000 1.227 174 P CA -0.106 63.033 63.100 0.066 0.000 0.788 174 P CB 0.549 32.268 31.700 0.032 0.000 0.926 175 S N 0.734 116.620 115.700 0.311 0.000 2.617 175 S HA 0.389 4.860 4.470 0.000 0.000 0.283 175 S C -0.227 174.621 174.600 0.414 0.000 1.189 175 S CA -0.764 57.622 58.200 0.310 0.000 1.036 175 S CB -0.080 63.300 63.200 0.300 0.000 1.014 175 S HN 0.227 nan 8.310 nan 0.000 0.522 176 L N 4.713 126.045 121.223 0.181 0.000 2.426 176 L HA 0.372 4.712 4.340 0.000 0.000 0.271 176 L C -1.668 175.096 176.870 -0.176 0.000 1.169 176 L CA -1.685 53.121 54.840 -0.055 0.000 0.836 176 L CB 0.596 42.605 42.059 -0.082 0.000 1.112 176 L HN 0.590 nan 8.230 nan 0.000 0.465 177 P HA 0.270 nan 4.420 nan 0.000 0.276 177 P C -2.612 174.490 177.300 -0.329 0.000 1.252 177 P CA -1.353 61.339 63.100 -0.680 0.000 0.802 177 P CB 0.179 31.041 31.700 -1.398 0.000 1.035 178 P HA 0.171 nan 4.420 nan 0.000 0.279 178 P C -0.406 176.823 177.300 -0.120 0.000 1.282 178 P CA -0.485 62.578 63.100 -0.063 0.000 0.788 178 P CB 0.440 32.171 31.700 0.052 0.000 1.139 179 L N 0.491 121.669 121.223 -0.075 0.000 2.369 179 L HA 0.436 4.777 4.340 0.000 0.000 0.279 179 L C -0.153 176.683 176.870 -0.058 0.000 1.108 179 L CA -0.036 54.755 54.840 -0.082 0.000 0.852 179 L CB -0.863 41.163 42.059 -0.056 0.000 1.169 179 L HN 0.512 nan 8.230 nan 0.000 0.452 180 A N 3.721 126.497 122.820 -0.074 0.000 2.413 180 A HA 0.505 4.825 4.320 0.000 0.000 0.307 180 A C 0.435 177.999 177.584 -0.034 0.000 1.087 180 A CA -0.617 51.395 52.037 -0.042 0.000 0.750 180 A CB 0.733 19.709 19.000 -0.041 0.000 1.296 180 A HN 0.703 nan 8.150 nan 0.000 0.423 181 D N -0.398 119.993 120.400 -0.015 0.000 2.348 181 D HA 0.142 4.782 4.640 0.000 0.000 0.216 181 D C -0.179 176.115 176.300 -0.011 0.000 0.970 181 D CA 1.368 55.360 54.000 -0.013 0.000 0.889 181 D CB 0.078 40.874 40.800 -0.007 0.000 0.912 181 D HN 0.308 nan 8.370 nan 0.000 0.524 182 L N -0.593 120.626 121.223 -0.007 0.000 2.643 182 L HA 0.276 4.616 4.340 0.000 0.000 0.256 182 L C -1.953 174.926 176.870 0.014 0.000 0.931 182 L CA -0.641 54.200 54.840 0.002 0.000 0.895 182 L CB 2.097 44.160 42.059 0.007 0.000 1.430 182 L HN -0.340 nan 8.230 nan 0.000 0.419 183 V N 5.528 125.455 119.914 0.021 0.000 2.380 183 V HA 0.407 4.527 4.120 0.000 0.000 0.286 183 V C -0.179 175.974 176.094 0.099 0.000 1.015 183 V CA -0.444 61.887 62.300 0.052 0.000 0.834 183 V CB 1.625 33.453 31.823 0.009 0.000 1.009 183 V HN 0.716 nan 8.190 nan 0.000 0.428 184 L N 5.231 126.546 121.223 0.153 0.000 2.342 184 L HA 0.669 5.009 4.340 0.000 0.000 0.285 184 L C 0.479 177.477 176.870 0.213 0.000 1.095 184 L CA 0.089 55.035 54.840 0.176 0.000 0.843 184 L CB 0.657 42.872 42.059 0.260 0.000 1.201 184 L HN 0.789 nan 8.230 nan 0.000 0.445 185 A N 4.278 127.193 122.820 0.160 0.000 2.356 185 A HA 0.597 4.917 4.320 0.000 0.000 0.323 185 A C -0.605 177.034 177.584 0.092 0.000 1.119 185 A CA -0.755 51.361 52.037 0.132 0.000 0.790 185 A CB 1.302 20.427 19.000 0.208 0.000 1.273 185 A HN 0.757 nan 8.150 nan 0.000 0.452 186 E N 0.124 120.324 120.200 0.001 0.000 2.349 186 E HA 0.560 4.910 4.350 0.000 0.000 0.262 186 E C 0.443 177.087 176.600 0.072 0.000 1.088 186 E CA -0.127 56.300 56.400 0.045 0.000 0.899 186 E CB 1.103 30.728 29.700 -0.125 0.000 1.044 186 E HN 0.640 nan 8.360 nan 0.000 0.420 187 G N 1.679 110.563 108.800 0.140 0.000 4.299 187 G HA2 0.082 4.042 3.960 0.000 0.000 0.290 187 G HA3 0.082 4.042 3.960 0.000 0.000 0.290 187 G C -0.303 174.663 174.900 0.110 0.000 1.019 187 G CA -0.391 44.772 45.100 0.105 0.000 0.790 187 G HN 0.498 nan 8.290 nan 0.000 0.452 188 T N 0.783 115.434 114.554 0.162 0.000 2.946 188 T HA 0.146 4.496 4.350 0.000 0.000 0.311 188 T C 0.500 175.336 174.700 0.228 0.000 1.063 188 T CA 0.642 62.809 62.100 0.112 0.000 1.139 188 T CB 0.374 69.268 68.868 0.044 0.000 0.994 188 T HN 0.442 nan 8.240 nan 0.000 0.547 189 Y N -0.870 119.355 120.300 -0.125 0.000 4.409 189 Y HA -0.232 4.318 4.550 0.000 0.000 0.228 189 Y C 1.734 177.565 175.900 -0.114 0.000 1.108 189 Y CA 0.659 58.662 58.100 -0.162 0.000 1.955 189 Y CB -2.058 36.258 38.460 -0.239 0.000 1.615 189 Y HN 0.896 nan 8.280 nan 0.000 0.665 190 G N -0.039 108.797 108.800 0.060 0.000 2.956 190 G HA2 -0.007 3.953 3.960 0.000 0.000 0.207 190 G HA3 -0.007 3.953 3.960 0.000 0.000 0.207 190 G C 1.116 176.028 174.900 0.020 0.000 1.162 190 G CA 0.749 45.873 45.100 0.041 0.000 0.796 190 G HN 0.575 nan 8.290 nan 0.000 0.527 191 D N 0.153 120.556 120.400 0.005 0.000 2.323 191 D HA 0.034 4.674 4.640 0.000 0.000 0.218 191 D C 1.205 177.510 176.300 0.008 0.000 0.973 191 D CA 0.087 54.087 54.000 0.000 0.000 0.890 191 D CB 0.021 40.810 40.800 -0.017 0.000 1.011 191 D HN 0.483 nan 8.370 nan 0.000 0.499 192 R N 0.154 120.657 120.500 0.005 0.000 2.564 192 R HA 0.550 4.890 4.340 0.000 0.000 0.284 192 R C -3.010 173.266 176.300 -0.041 0.000 1.031 192 R CA -1.652 54.456 56.100 0.013 0.000 0.904 192 R CB 1.911 32.244 30.300 0.056 0.000 1.199 192 R HN -0.150 nan 8.270 nan 0.000 0.443 193 P HA 0.030 nan 4.420 nan 0.000 0.280 193 P C -0.753 176.494 177.300 -0.089 0.000 1.278 193 P CA -0.133 62.926 63.100 -0.068 0.000 0.787 193 P CB 0.489 32.203 31.700 0.023 0.000 1.163 194 H N -0.894 118.252 119.070 0.127 0.000 2.567 194 H HA 0.293 4.849 4.556 0.000 0.000 0.345 194 H C 0.315 175.727 175.328 0.141 0.000 1.169 194 H CA -0.570 55.576 56.048 0.163 0.000 1.227 194 H CB 1.148 30.990 29.762 0.134 0.000 1.607 194 H HN 0.330 nan 8.280 nan 0.000 0.534 195 R N 2.900 123.588 120.500 0.313 0.000 2.272 195 R HA 0.174 4.514 4.340 0.000 0.000 0.334 195 R C -2.478 173.902 176.300 0.133 0.000 1.117 195 R CA -1.271 54.933 56.100 0.175 0.000 0.966 195 R CB -0.321 30.057 30.300 0.130 0.000 1.049 195 R HN 0.289 nan 8.270 nan 0.000 0.477 196 P HA -0.243 nan 4.420 nan 0.000 0.262 196 P C -0.492 176.866 177.300 0.096 0.000 1.126 196 P CA 0.843 64.015 63.100 0.119 0.000 0.755 196 P CB 0.175 31.929 31.700 0.091 0.000 0.716 197 Y N 5.112 125.417 120.300 0.009 0.000 2.070 197 Y HA -0.267 4.283 4.550 0.000 0.000 0.280 197 Y C 2.229 178.105 175.900 -0.041 0.000 1.148 197 Y CA 1.590 59.671 58.100 -0.031 0.000 1.125 197 Y CB -0.120 38.351 38.460 0.018 0.000 0.975 197 Y HN 0.238 nan 8.280 nan 0.000 0.492 198 R N 0.348 120.938 120.500 0.150 0.000 2.316 198 R HA -0.195 4.145 4.340 0.000 0.000 0.232 198 R C 1.665 177.946 176.300 -0.033 0.000 1.137 198 R CA 1.688 57.832 56.100 0.074 0.000 1.012 198 R CB -0.252 30.131 30.300 0.137 0.000 0.859 198 R HN 0.618 nan 8.270 nan 0.000 0.474 199 E N -1.403 118.759 120.200 -0.063 0.000 2.364 199 E HA 0.003 4.353 4.350 0.000 0.000 0.196 199 E C 1.409 177.922 176.600 -0.145 0.000 0.990 199 E CA 0.639 56.999 56.400 -0.066 0.000 0.886 199 E CB 0.442 30.130 29.700 -0.020 0.000 0.866 199 E HN 0.184 nan 8.360 nan 0.000 0.493 200 T N 0.675 115.059 114.554 -0.283 0.000 2.896 200 T HA -0.065 4.285 4.350 0.000 0.000 0.263 200 T C 2.103 176.528 174.700 -0.458 0.000 1.050 200 T CA 0.663 62.507 62.100 -0.426 0.000 1.140 200 T CB 0.032 68.470 68.868 -0.716 0.000 0.877 200 T HN -0.037 nan 8.240 nan 0.000 0.457 201 V N 1.552 121.155 119.914 -0.518 0.000 2.343 201 V HA -0.138 3.982 4.120 0.000 0.000 0.247 201 V C 2.594 178.636 176.094 -0.086 0.000 1.051 201 V CA 1.504 63.611 62.300 -0.321 0.000 1.036 201 V CB -0.593 31.016 31.823 -0.356 0.000 0.654 201 V HN 0.226 nan 8.190 nan 0.000 0.451 202 R N 0.882 121.329 120.500 -0.090 0.000 2.096 202 R HA -0.211 4.129 4.340 0.000 0.000 0.229 202 R C 2.399 178.667 176.300 -0.053 0.000 1.134 202 R CA 2.306 58.383 56.100 -0.039 0.000 0.917 202 R CB -0.769 29.513 30.300 -0.030 0.000 0.832 202 R HN 0.595 nan 8.270 nan 0.000 0.430 203 E N -1.106 119.055 120.200 -0.064 0.000 2.219 203 E HA -0.244 4.106 4.350 0.000 0.000 0.198 203 E C 1.728 178.286 176.600 -0.071 0.000 0.998 203 E CA 1.452 57.813 56.400 -0.066 0.000 0.818 203 E CB -0.226 29.443 29.700 -0.051 0.000 0.741 203 E HN 0.455 nan 8.360 nan 0.000 0.477 204 F N 0.235 120.073 119.950 -0.186 0.000 2.293 204 F HA -0.016 4.511 4.527 0.000 0.000 0.297 204 F C 1.676 177.410 175.800 -0.110 0.000 1.089 204 F CA 0.699 58.611 58.000 -0.147 0.000 1.377 204 F CB 0.114 39.028 39.000 -0.144 0.000 1.051 204 F HN -0.025 nan 8.300 nan 0.000 0.511 205 L N 0.344 121.438 121.223 -0.214 0.000 2.023 205 L HA -0.164 4.176 4.340 0.000 0.000 0.205 205 L C 2.371 179.078 176.870 -0.272 0.000 1.073 205 L CA 1.638 56.316 54.840 -0.270 0.000 0.745 205 L CB -0.824 41.183 42.059 -0.086 0.000 0.900 205 L HN 0.120 nan 8.230 nan 0.000 0.435 206 E N 0.552 120.639 120.200 -0.188 0.000 2.086 206 E HA -0.302 4.048 4.350 0.000 0.000 0.205 206 E C 2.125 178.596 176.600 -0.213 0.000 1.027 206 E CA 1.770 58.072 56.400 -0.163 0.000 0.830 206 E CB -0.393 29.235 29.700 -0.120 0.000 0.751 206 E HN 0.484 nan 8.360 nan 0.000 0.456 207 I N 0.982 121.372 120.570 -0.301 0.000 2.423 207 I HA -0.260 3.910 4.170 0.000 0.000 0.254 207 I C 2.231 178.154 176.117 -0.323 0.000 1.151 207 I CA 0.905 61.977 61.300 -0.380 0.000 1.421 207 I CB -0.210 37.421 38.000 -0.615 0.000 1.079 207 I HN 0.128 nan 8.210 nan 0.000 0.431 208 L N -0.093 120.903 121.223 -0.378 0.000 2.240 208 L HA -0.130 4.210 4.340 0.000 0.000 0.211 208 L C 2.439 179.194 176.870 -0.192 0.000 1.106 208 L CA 0.729 55.379 54.840 -0.317 0.000 0.793 208 L CB -0.328 41.485 42.059 -0.410 0.000 0.927 208 L HN 0.184 nan 8.230 nan 0.000 0.446 209 E N 1.074 121.169 120.200 -0.175 0.000 2.042 209 E HA -0.170 4.180 4.350 0.000 0.000 0.189 209 E C 1.731 178.277 176.600 -0.090 0.000 0.974 209 E CA 0.988 57.316 56.400 -0.119 0.000 0.806 209 E CB 0.078 29.712 29.700 -0.111 0.000 0.769 209 E HN 0.062 nan 8.360 nan 0.000 0.451 210 K N -0.314 120.031 120.400 -0.090 0.000 2.878 210 K HA 0.008 4.328 4.320 0.000 0.000 0.242 210 K C -0.218 176.355 176.600 -0.044 0.000 0.985 210 K CA 0.902 57.155 56.287 -0.057 0.000 1.168 210 K CB -0.177 32.295 32.500 -0.047 0.000 0.993 210 K HN 0.124 nan 8.250 nan 0.000 0.476 211 T N -1.202 113.318 114.554 -0.056 0.000 3.151 211 T HA 0.126 4.476 4.350 0.000 0.000 0.257 211 T C 1.140 175.818 174.700 -0.036 0.000 0.872 211 T CA -0.293 61.785 62.100 -0.038 0.000 0.873 211 T CB 0.181 69.021 68.868 -0.046 0.000 1.272 211 T HN 0.120 nan 8.240 nan 0.000 0.543 212 L N 0.513 121.707 121.223 -0.049 0.000 2.425 212 L HA 0.305 4.645 4.340 0.000 0.000 0.215 212 L C 2.315 179.165 176.870 -0.033 0.000 1.065 212 L CA 0.410 55.227 54.840 -0.038 0.000 0.842 212 L CB -0.023 42.007 42.059 -0.048 0.000 1.033 212 L HN 0.182 nan 8.230 nan 0.000 0.474 213 S N 0.329 116.005 115.700 -0.039 0.000 2.584 213 S HA -0.135 4.335 4.470 0.000 0.000 0.240 213 S C 1.118 175.703 174.600 -0.024 0.000 0.975 213 S CA 0.748 58.928 58.200 -0.033 0.000 0.949 213 S CB -0.134 63.043 63.200 -0.038 0.000 0.761 213 S HN 0.573 nan 8.310 nan 0.000 0.536 214 Q N -0.942 118.845 119.800 -0.021 0.000 2.144 214 Q HA 0.426 4.766 4.340 0.000 0.000 0.305 214 Q C 0.670 176.663 176.000 -0.011 0.000 0.876 214 Q CA -0.030 55.764 55.803 -0.015 0.000 1.130 214 Q CB -0.026 28.704 28.738 -0.013 0.000 1.267 214 Q HN 0.225 nan 8.270 nan 0.000 0.433 215 G N 0.117 108.911 108.800 -0.011 0.000 2.321 215 G HA2 -0.274 3.686 3.960 0.000 0.000 0.287 215 G HA3 -0.274 3.686 3.960 0.000 0.000 0.287 215 G C 0.273 175.170 174.900 -0.005 0.000 1.018 215 G CA 0.175 45.271 45.100 -0.007 0.000 0.855 215 G HN 0.712 nan 8.290 nan 0.000 0.507 216 G N -1.009 107.786 108.800 -0.007 0.000 2.441 216 G HA2 0.662 4.622 3.960 0.000 0.000 0.334 216 G HA3 0.662 4.622 3.960 0.000 0.000 0.334 216 G C -0.109 174.790 174.900 -0.003 0.000 1.161 216 G CA -0.880 44.218 45.100 -0.005 0.000 0.935 216 G HN 0.408 nan 8.290 nan 0.000 0.488 217 K N -0.437 119.962 120.400 -0.001 0.000 2.098 217 K HA 0.555 4.875 4.320 0.000 0.000 0.258 217 K C -0.970 175.635 176.600 0.008 0.000 0.973 217 K CA -0.699 55.591 56.287 0.004 0.000 0.898 217 K CB 2.511 35.006 32.500 -0.008 0.000 1.057 217 K HN 0.151 nan 8.250 nan 0.000 0.447 218 V N 3.791 123.715 119.914 0.018 0.000 2.305 218 V HA 0.136 4.256 4.120 0.000 0.000 0.275 218 V C -0.605 175.515 176.094 0.042 0.000 1.020 218 V CA -0.876 61.436 62.300 0.019 0.000 0.811 218 V CB 0.846 32.665 31.823 -0.007 0.000 1.031 218 V HN 0.575 nan 8.190 nan 0.000 0.439 219 L N 6.105 127.344 121.223 0.026 0.000 2.369 219 L HA 0.449 4.789 4.340 0.000 0.000 0.279 219 L C -0.086 176.783 176.870 -0.003 0.000 1.108 219 L CA 0.538 55.395 54.840 0.027 0.000 0.852 219 L CB 0.734 42.798 42.059 0.008 0.000 1.169 219 L HN 0.516 nan 8.230 nan 0.000 0.452 220 I N 6.516 127.110 120.570 0.041 0.000 2.437 220 I HA 0.265 4.436 4.170 0.000 0.000 0.279 220 I C -2.140 173.984 176.117 0.013 0.000 1.028 220 I CA -1.703 59.622 61.300 0.042 0.000 1.142 220 I CB 2.026 40.107 38.000 0.135 0.000 1.266 220 I HN 0.347 nan 8.210 nan 0.000 0.461 221 P HA 0.220 nan 4.420 nan 0.000 0.282 221 P C -0.596 176.684 177.300 -0.033 0.000 1.262 221 P CA 0.063 63.144 63.100 -0.033 0.000 0.773 221 P CB 1.198 32.894 31.700 -0.007 0.000 0.879 222 T N 0.105 114.605 114.554 -0.090 0.000 2.889 222 T HA 0.571 4.921 4.350 0.000 0.000 0.315 222 T C -0.253 174.369 174.700 -0.130 0.000 1.291 222 T CA -0.683 61.370 62.100 -0.078 0.000 1.028 222 T CB 0.441 69.324 68.868 0.024 0.000 1.235 222 T HN -0.007 nan 8.240 nan 0.000 0.491 223 F N 0.909 120.893 119.950 0.056 0.000 2.444 223 F HA 0.573 5.100 4.527 0.000 0.000 0.331 223 F C 1.882 177.702 175.800 0.032 0.000 1.167 223 F CA -0.486 57.546 58.000 0.054 0.000 1.262 223 F CB 0.398 39.442 39.000 0.075 0.000 1.196 223 F HN 0.861 nan 8.300 nan 0.000 0.583 224 A N 1.115 124.066 122.820 0.218 0.000 2.072 224 A HA 0.060 4.380 4.320 0.000 0.000 0.216 224 A C 2.004 179.644 177.584 0.093 0.000 1.156 224 A CA 0.747 52.847 52.037 0.105 0.000 0.701 224 A CB -0.906 18.136 19.000 0.071 0.000 0.816 224 A HN 0.600 nan 8.150 nan 0.000 0.458 225 V N 0.149 120.163 119.914 0.167 0.000 2.220 225 V HA -0.280 3.840 4.120 0.000 0.000 0.250 225 V C 2.360 178.490 176.094 0.060 0.000 1.053 225 V CA 2.539 64.917 62.300 0.130 0.000 1.019 225 V CB -0.414 31.549 31.823 0.232 0.000 0.646 225 V HN 0.770 nan 8.190 nan 0.000 0.455 226 E N -1.942 118.297 120.200 0.066 0.000 2.641 226 E HA 0.019 4.370 4.350 0.000 0.000 0.201 226 E C 2.021 178.641 176.600 0.033 0.000 0.921 226 E CA -0.072 56.354 56.400 0.044 0.000 1.551 226 E CB 0.162 29.858 29.700 -0.006 0.000 1.640 226 E HN 0.283 nan 8.360 nan 0.000 0.906 227 R N 1.534 122.065 120.500 0.051 0.000 2.083 227 R HA 0.071 4.411 4.340 0.000 0.000 0.237 227 R C 2.220 178.512 176.300 -0.013 0.000 1.137 227 R CA 2.147 58.258 56.100 0.019 0.000 0.951 227 R CB -0.789 29.578 30.300 0.111 0.000 0.851 227 R HN 0.196 nan 8.270 nan 0.000 0.434 228 A N 0.766 123.599 122.820 0.022 0.000 1.883 228 A HA -0.242 4.078 4.320 0.000 0.000 0.217 228 A C 1.948 179.532 177.584 0.001 0.000 1.186 228 A CA 1.806 53.846 52.037 0.005 0.000 0.624 228 A CB -0.583 18.422 19.000 0.010 0.000 0.822 228 A HN 0.477 nan 8.150 nan 0.000 0.444 229 Q N -0.396 119.379 119.800 -0.042 0.000 2.124 229 Q HA -0.246 4.094 4.340 0.000 0.000 0.202 229 Q C 1.910 178.014 176.000 0.173 0.000 0.977 229 Q CA 1.709 57.478 55.803 -0.056 0.000 0.850 229 Q CB -0.524 27.986 28.738 -0.380 0.000 0.901 229 Q HN 0.918 nan 8.270 nan 0.000 0.429 230 E N 0.850 121.127 120.200 0.128 0.000 2.110 230 E HA -0.164 4.186 4.350 0.000 0.000 0.193 230 E C 1.946 178.637 176.600 0.153 0.000 0.988 230 E CA 0.777 57.287 56.400 0.183 0.000 0.804 230 E CB 0.071 29.786 29.700 0.025 0.000 0.745 230 E HN 0.182 nan 8.360 nan 0.000 0.458 231 I N 1.056 121.629 120.570 0.005 0.000 2.142 231 I HA -0.250 3.920 4.170 0.000 0.000 0.240 231 I C 2.448 178.650 176.117 0.142 0.000 1.078 231 I CA 1.154 62.436 61.300 -0.030 0.000 1.343 231 I CB -1.217 36.742 38.000 -0.067 0.000 1.046 231 I HN 0.305 nan 8.210 nan 0.000 0.405 232 L N -0.509 120.822 121.223 0.180 0.000 2.129 232 L HA -0.291 4.050 4.340 0.000 0.000 0.212 232 L C 2.698 179.738 176.870 0.284 0.000 1.087 232 L CA 1.498 56.472 54.840 0.222 0.000 0.757 232 L CB -0.853 41.337 42.059 0.218 0.000 0.896 232 L HN 0.224 nan 8.230 nan 0.000 0.434 233 Y N 0.126 120.561 120.300 0.225 0.000 2.242 233 Y HA -0.168 4.382 4.550 0.000 0.000 0.291 233 Y C 2.284 178.290 175.900 0.176 0.000 1.137 233 Y CA 1.325 59.500 58.100 0.124 0.000 1.181 233 Y CB -0.139 38.407 38.460 0.143 0.000 0.989 233 Y HN -0.140 nan 8.280 nan 0.000 0.527 234 V N -0.322 119.695 119.914 0.172 0.000 2.809 234 V HA -0.200 3.920 4.120 0.000 0.000 0.256 234 V C 2.040 178.227 176.094 0.155 0.000 1.080 234 V CA 1.018 63.383 62.300 0.108 0.000 1.102 234 V CB -0.512 31.410 31.823 0.165 0.000 0.705 234 V HN 0.300 nan 8.190 nan 0.000 0.475 235 L N -1.234 120.096 121.223 0.178 0.000 2.068 235 L HA -0.029 4.311 4.340 0.000 0.000 0.204 235 L C 2.211 179.151 176.870 0.117 0.000 1.076 235 L CA 1.800 56.737 54.840 0.162 0.000 0.753 235 L CB -0.956 41.198 42.059 0.158 0.000 0.910 235 L HN 0.381 nan 8.230 nan 0.000 0.439 236 Y N 0.200 120.483 120.300 -0.029 0.000 2.070 236 Y HA -0.204 4.346 4.550 0.000 0.000 0.280 236 Y C 1.317 177.155 175.900 -0.103 0.000 1.148 236 Y CA 1.608 59.654 58.100 -0.090 0.000 1.125 236 Y CB -0.346 38.019 38.460 -0.158 0.000 0.975 236 Y HN 0.078 nan 8.280 nan 0.000 0.492 237 T N 0.024 114.645 114.554 0.111 0.000 2.788 237 T HA 0.055 4.405 4.350 0.000 0.000 0.287 237 T C -0.471 174.391 174.700 0.271 0.000 1.007 237 T CA 0.406 62.571 62.100 0.109 0.000 1.005 237 T CB 0.268 69.166 68.868 0.049 0.000 1.012 237 T HN 0.508 nan 8.240 nan 0.000 0.530 238 H N -1.230 117.920 119.070 0.133 0.000 2.781 238 H HA -0.148 4.409 4.556 0.000 0.000 0.301 238 H C 1.213 176.528 175.328 -0.021 0.000 1.124 238 H CA 0.969 57.090 56.048 0.122 0.000 1.154 238 H CB -1.525 28.285 29.762 0.079 0.000 1.355 238 H HN 0.741 nan 8.280 nan 0.000 0.385 239 G N -0.143 108.738 108.800 0.135 0.000 3.707 239 G HA2 0.048 4.008 3.960 0.000 0.000 0.286 239 G HA3 0.048 4.008 3.960 0.000 0.000 0.286 239 G C 1.035 175.927 174.900 -0.013 0.000 1.112 239 G CA 0.187 45.288 45.100 0.002 0.000 0.861 239 G HN 0.699 nan 8.290 nan 0.000 0.534 240 H N -0.288 118.732 119.070 -0.083 0.000 2.639 240 H HA 0.082 4.638 4.556 0.000 0.000 0.267 240 H C 1.902 177.191 175.328 -0.064 0.000 0.958 240 H CA 0.328 56.322 56.048 -0.089 0.000 1.221 240 H CB 0.080 29.782 29.762 -0.100 0.000 1.446 240 H HN 0.536 nan 8.280 nan 0.000 0.512 241 R N 1.010 121.259 120.500 -0.418 0.000 2.362 241 R HA 0.300 4.640 4.340 0.000 0.000 0.227 241 R C -0.140 176.059 176.300 -0.168 0.000 0.905 241 R CA -0.171 55.767 56.100 -0.270 0.000 1.067 241 R CB 0.125 30.226 30.300 -0.331 0.000 1.078 241 R HN 0.053 nan 8.270 nan 0.000 0.516 242 L N 3.952 125.087 121.223 -0.147 0.000 2.265 242 L HA 0.423 4.763 4.340 0.000 0.000 0.288 242 L C -1.901 174.922 176.870 -0.078 0.000 1.058 242 L CA -2.382 52.395 54.840 -0.104 0.000 0.809 242 L CB 1.123 43.130 42.059 -0.086 0.000 1.179 242 L HN -0.017 nan 8.230 nan 0.000 0.429 243 P HA 0.073 nan 4.420 nan 0.000 0.267 243 P C -0.395 176.879 177.300 -0.044 0.000 1.209 243 P CA -0.379 62.690 63.100 -0.052 0.000 0.763 243 P CB 0.505 32.176 31.700 -0.048 0.000 0.816 244 R N 2.127 122.603 120.500 -0.041 0.000 2.466 244 R HA 0.198 4.538 4.340 0.000 0.000 0.280 244 R C 0.137 176.420 176.300 -0.028 0.000 0.926 244 R CA 0.902 56.980 56.100 -0.037 0.000 1.127 244 R CB -0.246 30.035 30.300 -0.033 0.000 0.871 244 R HN 0.673 nan 8.270 nan 0.000 0.421 245 A N 5.437 128.240 122.820 -0.029 0.000 2.534 245 A HA 0.295 4.615 4.320 0.000 0.000 0.300 245 A C -2.539 175.028 177.584 -0.028 0.000 1.054 245 A CA -1.400 50.631 52.037 -0.010 0.000 0.858 245 A CB 1.118 20.116 19.000 -0.003 0.000 1.333 245 A HN 0.496 nan 8.150 nan 0.000 0.391 246 P HA 0.181 nan 4.420 nan 0.000 0.262 246 P C -0.605 176.542 177.300 -0.256 0.000 1.182 246 P CA 0.612 63.592 63.100 -0.201 0.000 0.761 246 P CB 0.368 31.969 31.700 -0.165 0.000 0.795 247 I N 4.461 124.823 120.570 -0.346 0.000 2.371 247 I HA 0.206 4.376 4.170 0.000 0.000 0.282 247 I C -0.131 175.826 176.117 -0.266 0.000 1.031 247 I CA -0.933 60.265 61.300 -0.171 0.000 1.180 247 I CB 0.268 38.236 38.000 -0.053 0.000 1.336 247 I HN 0.236 nan 8.210 nan 0.000 0.467 248 Y N 6.029 126.354 120.300 0.041 0.000 2.350 248 Y HA 0.336 4.886 4.550 0.000 0.000 0.340 248 Y C 0.052 175.991 175.900 0.065 0.000 1.006 248 Y CA -0.920 57.209 58.100 0.049 0.000 1.166 248 Y CB 1.051 39.538 38.460 0.044 0.000 1.168 248 Y HN 0.422 nan 8.280 nan 0.000 0.502 249 L N 4.786 126.107 121.223 0.164 0.000 2.352 249 L HA 0.296 4.636 4.340 0.000 0.000 0.272 249 L C -0.379 176.566 176.870 0.125 0.000 1.109 249 L CA -0.233 54.679 54.840 0.120 0.000 0.952 249 L CB -0.302 41.799 42.059 0.069 0.000 1.314 249 L HN 0.525 nan 8.230 nan 0.000 0.427 250 D N 2.447 122.936 120.400 0.149 0.000 2.470 250 D HA 0.272 4.912 4.640 0.000 0.000 0.226 250 D C -0.908 175.418 176.300 0.045 0.000 1.196 250 D CA 0.464 54.534 54.000 0.117 0.000 0.979 250 D CB 0.278 41.183 40.800 0.176 0.000 1.059 250 D HN 0.372 nan 8.370 nan 0.000 0.515 251 S N 4.288 120.009 115.700 0.034 0.000 2.584 251 S HA 0.341 4.811 4.470 0.000 0.000 0.282 251 S C -2.756 171.848 174.600 0.007 0.000 1.138 251 S CA -1.014 57.191 58.200 0.009 0.000 0.987 251 S CB 1.174 64.378 63.200 0.008 0.000 1.137 251 S HN 0.228 nan 8.310 nan 0.000 0.457 255 G N 0.364 109.149 108.800 -0.025 0.000 2.408 255 G HA2 -0.047 3.913 3.960 0.000 0.000 0.215 255 G HA3 -0.047 3.913 3.960 0.000 0.000 0.215 255 G C 1.379 176.267 174.900 -0.021 0.000 1.156 255 G CA 0.936 46.025 45.100 -0.019 0.000 0.793 255 G HN 0.436 nan 8.290 nan 0.000 0.535 256 R N -0.131 120.360 120.500 -0.015 0.000 2.237 256 R HA 0.067 4.407 4.340 0.000 0.000 0.219 256 R C 2.171 178.460 176.300 -0.018 0.000 1.080 256 R CA 0.444 56.541 56.100 -0.006 0.000 0.995 256 R CB -0.074 30.226 30.300 0.001 0.000 0.875 256 R HN 0.319 nan 8.270 nan 0.000 0.462 257 V N 0.695 120.573 119.914 -0.061 0.000 2.825 257 V HA -0.073 4.047 4.120 0.000 0.000 0.246 257 V C 2.040 177.989 176.094 -0.242 0.000 1.068 257 V CA 0.831 63.062 62.300 -0.115 0.000 1.088 257 V CB -0.089 31.640 31.823 -0.156 0.000 0.733 257 V HN 0.302 nan 8.190 nan 0.000 0.468 258 L N -0.565 120.513 121.223 -0.241 0.000 2.217 258 L HA -0.095 4.245 4.340 0.000 0.000 0.211 258 L C 2.434 179.295 176.870 -0.014 0.000 1.107 258 L CA 1.193 55.888 54.840 -0.242 0.000 0.783 258 L CB -0.034 41.950 42.059 -0.124 0.000 0.919 258 L HN 0.357 nan 8.230 nan 0.000 0.442 259 S N -0.137 115.572 115.700 0.014 0.000 2.371 259 S HA -0.149 4.321 4.470 0.000 0.000 0.224 259 S C 1.720 176.388 174.600 0.113 0.000 1.029 259 S CA 0.846 59.089 58.200 0.071 0.000 0.978 259 S CB -0.118 63.111 63.200 0.048 0.000 0.833 259 S HN 0.261 nan 8.310 nan 0.000 0.466 260 L N 0.906 122.191 121.223 0.104 0.000 2.131 260 L HA -0.038 4.302 4.340 0.000 0.000 0.210 260 L C 1.744 178.768 176.870 0.256 0.000 1.092 260 L CA 1.606 56.530 54.840 0.141 0.000 0.759 260 L CB -0.790 41.334 42.059 0.110 0.000 0.903 260 L HN 0.419 nan 8.230 nan 0.000 0.435 261 Y N -0.163 120.181 120.300 0.074 0.000 2.139 261 Y HA -0.291 4.259 4.550 0.000 0.000 0.282 261 Y C -0.188 175.843 175.900 0.219 0.000 1.179 261 Y CA 1.336 59.536 58.100 0.165 0.000 1.161 261 Y CB -1.341 37.133 38.460 0.025 0.000 0.970 261 Y HN 0.296 nan 8.280 nan 0.000 0.511 262 P HA -0.164 nan 4.420 nan 0.000 0.220 262 P C 1.169 178.477 177.300 0.014 0.000 1.148 262 P CA 1.526 64.739 63.100 0.189 0.000 0.803 262 P CB -0.097 31.777 31.700 0.290 0.000 0.782 263 R N -0.274 120.266 120.500 0.068 0.000 2.148 263 R HA -0.028 4.312 4.340 0.000 0.000 0.223 263 R C 0.860 177.161 176.300 0.002 0.000 1.088 263 R CA 0.955 57.070 56.100 0.025 0.000 0.985 263 R CB -0.432 29.895 30.300 0.044 0.000 0.880 263 R HN 0.093 nan 8.270 nan 0.000 0.451 264 L N 0.760 121.997 121.223 0.023 0.000 2.629 264 L HA 0.025 4.365 4.340 0.000 0.000 0.230 264 L C 1.726 178.549 176.870 -0.078 0.000 1.151 264 L CA 0.498 55.348 54.840 0.016 0.000 0.924 264 L CB 0.067 42.052 42.059 -0.123 0.000 1.137 264 L HN 0.027 nan 8.230 nan 0.000 0.457 265 V N 1.347 121.167 119.914 -0.157 0.000 2.428 265 V HA -0.353 3.768 4.120 0.000 0.000 0.255 265 V C 2.746 178.754 176.094 -0.144 0.000 1.080 265 V CA 2.485 64.619 62.300 -0.277 0.000 1.083 265 V CB -0.316 31.066 31.823 -0.734 0.000 0.665 265 V HN 0.764 nan 8.190 nan 0.000 0.461 266 R N -1.481 118.858 120.500 -0.267 0.000 2.148 266 R HA -0.139 4.201 4.340 0.000 0.000 0.227 266 R C 1.883 177.937 176.300 -0.411 0.000 1.103 266 R CA 2.073 57.963 56.100 -0.350 0.000 0.983 266 R CB -0.809 29.192 30.300 -0.498 0.000 0.874 266 R HN 0.570 nan 8.270 nan 0.000 0.451 267 Y N 0.076 120.187 120.300 -0.316 0.000 2.529 267 Y HA 0.211 4.761 4.550 0.000 0.000 0.290 267 Y C 0.211 175.790 175.900 -0.535 0.000 1.177 267 Y CA -0.210 57.632 58.100 -0.429 0.000 1.305 267 Y CB -0.049 38.062 38.460 -0.580 0.000 1.047 267 Y HN -0.091 nan 8.280 nan 0.000 0.522 268 F N -1.492 118.415 119.950 -0.072 0.000 2.362 268 F HA 0.384 4.911 4.527 0.000 0.000 0.340 268 F C 1.046 176.794 175.800 -0.087 0.000 1.088 268 F CA -1.311 56.638 58.000 -0.086 0.000 1.096 268 F CB 0.003 38.979 39.000 -0.041 0.000 1.486 268 F HN -0.384 nan 8.300 nan 0.000 0.500 269 S N 0.154 115.946 115.700 0.153 0.000 2.600 269 S HA 0.072 4.542 4.470 0.000 0.000 0.265 269 S C 1.144 175.752 174.600 0.013 0.000 1.325 269 S CA -0.571 57.644 58.200 0.025 0.000 1.002 269 S CB 0.640 63.825 63.200 -0.024 0.000 0.921 269 S HN 0.529 nan 8.310 nan 0.000 0.554 270 E N 1.901 122.093 120.200 -0.014 0.000 2.049 270 E HA -0.197 4.153 4.350 0.000 0.000 0.198 270 E C 1.823 178.399 176.600 -0.040 0.000 1.007 270 E CA 1.603 57.994 56.400 -0.016 0.000 0.809 270 E CB -0.575 29.114 29.700 -0.017 0.000 0.749 270 E HN 0.850 nan 8.360 nan 0.000 0.450 271 E N 0.388 120.544 120.200 -0.073 0.000 2.035 271 E HA -0.190 4.161 4.350 0.000 0.000 0.204 271 E C 2.204 178.610 176.600 -0.324 0.000 1.025 271 E CA 1.703 58.001 56.400 -0.169 0.000 0.835 271 E CB 0.025 29.660 29.700 -0.109 0.000 0.764 271 E HN 0.011 nan 8.360 nan 0.000 0.457 272 V N 1.053 120.826 119.914 -0.235 0.000 2.392 272 V HA -0.303 3.817 4.120 0.000 0.000 0.249 272 V C 2.400 178.536 176.094 0.070 0.000 1.059 272 V CA 1.994 64.160 62.300 -0.224 0.000 1.051 272 V CB -0.494 31.200 31.823 -0.214 0.000 0.658 272 V HN 0.346 nan 8.190 nan 0.000 0.455 273 Q N -0.633 119.236 119.800 0.115 0.000 2.046 273 Q HA -0.153 4.187 4.340 0.000 0.000 0.200 273 Q C 2.485 178.585 176.000 0.167 0.000 0.975 273 Q CA 1.638 57.559 55.803 0.197 0.000 0.836 273 Q CB -0.386 28.404 28.738 0.086 0.000 0.896 273 Q HN 0.675 nan 8.270 nan 0.000 0.428 274 A N 0.757 123.611 122.820 0.057 0.000 1.917 274 A HA -0.253 4.067 4.320 0.000 0.000 0.219 274 A C 1.601 179.279 177.584 0.156 0.000 1.182 274 A CA 1.718 53.800 52.037 0.075 0.000 0.633 274 A CB -0.945 18.075 19.000 0.034 0.000 0.819 274 A HN 0.463 nan 8.150 nan 0.000 0.448 275 H N -2.696 116.385 119.070 0.020 0.000 2.321 275 H HA -0.115 4.441 4.556 0.000 0.000 0.300 275 H C 1.921 177.196 175.328 -0.088 0.000 1.087 275 H CA 1.328 57.327 56.048 -0.080 0.000 1.319 275 H CB -0.194 29.436 29.762 -0.219 0.000 1.379 275 H HN 0.537 nan 8.280 nan 0.000 0.501 276 F N 0.421 120.417 119.950 0.076 0.000 2.161 276 F HA -0.196 4.331 4.527 0.000 0.000 0.300 276 F C 2.363 178.189 175.800 0.043 0.000 1.089 276 F CA 0.772 58.797 58.000 0.041 0.000 1.282 276 F CB -0.298 38.726 39.000 0.040 0.000 1.010 276 F HN 0.112 nan 8.300 nan 0.000 0.485 277 L N 0.645 122.008 121.223 0.234 0.000 2.141 277 L HA -0.171 4.169 4.340 0.000 0.000 0.209 277 L C 2.160 179.091 176.870 0.102 0.000 1.094 277 L CA 1.607 56.532 54.840 0.141 0.000 0.763 277 L CB -0.943 41.178 42.059 0.104 0.000 0.908 277 L HN 0.362 nan 8.230 nan 0.000 0.437 278 Q N -1.467 118.389 119.800 0.092 0.000 2.253 278 Q HA 0.258 4.598 4.340 0.000 0.000 0.210 278 Q C 1.210 177.235 176.000 0.042 0.000 0.907 278 Q CA 0.496 56.333 55.803 0.057 0.000 0.948 278 Q CB -0.225 28.541 28.738 0.046 0.000 1.033 278 Q HN 0.438 nan 8.270 nan 0.000 0.471 279 G N 0.797 109.634 108.800 0.061 0.000 2.234 279 G HA2 -0.282 3.678 3.960 0.000 0.000 0.260 279 G HA3 -0.282 3.678 3.960 0.000 0.000 0.260 279 G C 0.435 175.347 174.900 0.019 0.000 0.987 279 G CA 0.438 45.569 45.100 0.052 0.000 0.625 279 G HN 0.289 nan 8.290 nan 0.000 0.532 280 K N 0.034 120.412 120.400 -0.035 0.000 2.863 280 K HA 0.325 4.645 4.320 0.000 0.000 0.315 280 K C 0.632 177.080 176.600 -0.253 0.000 1.051 280 K CA 0.310 56.528 56.287 -0.115 0.000 1.028 280 K CB -0.051 32.340 32.500 -0.182 0.000 1.129 280 K HN 0.395 nan 8.250 nan 0.000 0.459 281 N N 0.413 118.811 118.700 -0.503 0.000 3.286 281 N HA 0.030 4.770 4.740 0.000 0.000 0.169 281 N C -2.552 172.440 175.510 -0.864 0.000 1.375 281 N CA -0.599 52.071 53.050 -0.634 0.000 1.093 281 N CB 0.264 38.645 38.487 -0.177 0.000 1.659 281 N HN 0.094 nan 8.380 nan 0.000 0.629 282 P HA -0.059 nan 4.420 nan 0.000 0.245 282 P C -0.215 176.537 177.300 -0.914 0.000 1.203 282 P CA 0.632 62.876 63.100 -1.427 0.000 0.754 282 P CB -0.576 30.680 31.700 -0.741 0.000 0.896 283 F N -0.160 119.651 119.950 -0.232 0.000 2.841 283 F HA 0.372 4.899 4.527 0.000 0.000 0.358 283 F C 0.964 176.775 175.800 0.018 0.000 1.261 283 F CA -0.420 57.579 58.000 -0.002 0.000 1.233 283 F CB 0.562 39.605 39.000 0.073 0.000 1.008 283 F HN -0.250 nan 8.300 nan 0.000 0.507 284 R N 1.186 121.774 120.500 0.146 0.000 3.107 284 R HA 0.171 4.511 4.340 0.000 0.000 0.224 284 R C -2.740 173.735 176.300 0.292 0.000 1.734 284 R CA -0.987 55.219 56.100 0.176 0.000 1.303 284 R CB 1.432 31.809 30.300 0.128 0.000 1.570 284 R HN -0.019 nan 8.270 nan 0.000 0.606 285 P HA 0.086 nan 4.420 nan 0.000 0.327 285 P C 0.749 178.066 177.300 0.028 0.000 1.342 285 P CA 0.030 63.237 63.100 0.179 0.000 0.761 285 P CB 0.307 32.090 31.700 0.139 0.000 1.675 286 A N -0.001 122.794 122.820 -0.043 0.000 2.944 286 A HA -0.163 4.157 4.320 0.000 0.000 0.231 286 A C 1.864 179.414 177.584 -0.057 0.000 0.846 286 A CA 2.414 54.412 52.037 -0.065 0.000 1.139 286 A CB -2.106 16.858 19.000 -0.060 0.000 0.635 286 A HN 0.663 nan 8.150 nan 0.000 0.477 287 G N -1.497 107.256 108.800 -0.079 0.000 3.814 287 G HA2 0.447 4.407 3.960 0.000 0.000 0.293 287 G HA3 0.447 4.407 3.960 0.000 0.000 0.293 287 G C 0.073 174.878 174.900 -0.158 0.000 1.243 287 G CA 0.022 45.056 45.100 -0.110 0.000 1.053 287 G HN 0.616 nan 8.290 nan 0.000 0.562 288 L N 0.207 121.374 121.223 -0.094 0.000 2.628 288 L HA 0.081 4.421 4.340 0.000 0.000 0.292 288 L C 1.226 178.027 176.870 -0.117 0.000 1.250 288 L CA 0.706 55.495 54.840 -0.085 0.000 0.892 288 L CB 1.113 43.173 42.059 0.001 0.000 1.138 288 L HN 0.336 nan 8.230 nan 0.000 0.502 289 E N 3.280 123.396 120.200 -0.141 0.000 2.288 289 E HA 0.198 4.548 4.350 0.000 0.000 0.200 289 E C -0.230 176.384 176.600 0.024 0.000 0.880 289 E CA 0.829 57.177 56.400 -0.086 0.000 0.971 289 E CB 0.475 30.077 29.700 -0.164 0.000 0.954 289 E HN 0.378 nan 8.360 nan 0.000 0.489 290 V N 1.135 121.084 119.914 0.058 0.000 4.660 290 V HA -0.166 3.955 4.120 0.000 0.000 0.398 290 V C -0.535 175.615 176.094 0.094 0.000 0.675 290 V CA 0.500 62.844 62.300 0.072 0.000 1.614 290 V CB -1.773 30.079 31.823 0.048 0.000 1.958 290 V HN 0.136 nan 8.190 nan 0.000 0.477 291 V N 5.299 125.288 119.914 0.124 0.000 2.488 291 V HA 0.238 4.358 4.120 0.000 0.000 0.277 291 V C 1.275 177.420 176.094 0.085 0.000 1.046 291 V CA -0.068 62.305 62.300 0.121 0.000 0.986 291 V CB 1.520 33.428 31.823 0.143 0.000 0.989 291 V HN 0.805 nan 8.190 nan 0.000 0.475 292 E N 2.533 122.786 120.200 0.088 0.000 2.044 292 E HA 0.022 4.372 4.350 0.000 0.000 0.209 292 E C 0.403 177.048 176.600 0.076 0.000 0.917 292 E CA 0.528 56.979 56.400 0.086 0.000 0.963 292 E CB -0.108 29.661 29.700 0.114 0.000 0.919 292 E HN 0.758 nan 8.360 nan 0.000 0.528 293 H N 0.003 119.089 119.070 0.026 0.000 2.745 293 H HA -0.027 4.530 4.556 0.000 0.000 0.373 293 H C 1.597 176.935 175.328 0.016 0.000 1.226 293 H CA 1.197 57.256 56.048 0.019 0.000 1.435 293 H CB 0.826 30.596 29.762 0.013 0.000 1.461 293 H HN 0.294 nan 8.280 nan 0.000 0.616 294 T N -0.485 114.085 114.554 0.026 0.000 2.714 294 T HA -0.259 4.092 4.350 0.000 0.000 0.268 294 T C 1.536 176.260 174.700 0.041 0.000 1.036 294 T CA 1.642 63.757 62.100 0.025 0.000 1.148 294 T CB -0.119 68.766 68.868 0.028 0.000 0.856 294 T HN 0.548 nan 8.240 nan 0.000 0.462 295 E N 2.410 122.655 120.200 0.075 0.000 2.012 295 E HA -0.151 4.199 4.350 0.000 0.000 0.211 295 E C 2.720 179.323 176.600 0.005 0.000 1.029 295 E CA 1.644 58.061 56.400 0.029 0.000 0.867 295 E CB -1.222 28.500 29.700 0.035 0.000 0.790 295 E HN 0.681 nan 8.360 nan 0.000 0.482 296 A N 1.071 123.905 122.820 0.024 0.000 2.194 296 A HA -0.198 4.123 4.320 0.000 0.000 0.220 296 A C 2.329 179.918 177.584 0.007 0.000 1.162 296 A CA 1.884 53.924 52.037 0.006 0.000 0.674 296 A CB -0.603 18.418 19.000 0.035 0.000 0.789 296 A HN 0.236 nan 8.150 nan 0.000 0.470 297 S N -0.706 115.018 115.700 0.040 0.000 2.368 297 S HA -0.112 4.358 4.470 0.000 0.000 0.224 297 S C 1.946 176.622 174.600 0.128 0.000 1.029 297 S CA 1.601 59.867 58.200 0.109 0.000 0.988 297 S CB -0.194 63.042 63.200 0.060 0.000 0.838 297 S HN 0.663 nan 8.310 nan 0.000 0.462 298 K N 0.413 120.797 120.400 -0.027 0.000 2.314 298 K HA 0.251 4.571 4.320 0.000 0.000 0.198 298 K C 2.282 178.787 176.600 -0.159 0.000 1.045 298 K CA 0.601 56.810 56.287 -0.130 0.000 0.988 298 K CB -0.161 32.214 32.500 -0.209 0.000 0.783 298 K HN 0.376 nan 8.250 nan 0.000 0.484 299 A N 1.908 124.659 122.820 -0.115 0.000 1.851 299 A HA -0.168 4.152 4.320 0.000 0.000 0.216 299 A C 2.005 179.476 177.584 -0.189 0.000 1.195 299 A CA 1.313 53.274 52.037 -0.127 0.000 0.622 299 A CB -0.845 18.102 19.000 -0.087 0.000 0.831 299 A HN 0.192 nan 8.150 nan 0.000 0.444 300 L N 0.252 121.326 121.223 -0.249 0.000 2.351 300 L HA -0.246 4.094 4.340 0.000 0.000 0.220 300 L C 1.957 178.610 176.870 -0.361 0.000 1.127 300 L CA 0.852 55.460 54.840 -0.386 0.000 0.786 300 L CB -0.784 40.935 42.059 -0.566 0.000 0.914 300 L HN 0.447 nan 8.230 nan 0.000 0.443 301 N N 0.296 118.801 118.700 -0.325 0.000 2.188 301 N HA -0.152 4.588 4.740 0.000 0.000 0.184 301 N C 1.943 177.354 175.510 -0.165 0.000 1.018 301 N CA 1.171 54.032 53.050 -0.315 0.000 0.858 301 N CB -0.161 37.946 38.487 -0.633 0.000 0.989 301 N HN 0.289 nan 8.380 nan 0.000 0.426 302 R N 1.212 121.624 120.500 -0.146 0.000 2.062 302 R HA 0.224 4.564 4.340 0.000 0.000 0.226 302 R C 0.679 176.942 176.300 -0.061 0.000 1.125 302 R CA 0.412 56.480 56.100 -0.054 0.000 0.966 302 R CB -0.845 29.425 30.300 -0.050 0.000 0.861 302 R HN 0.123 nan 8.270 nan 0.000 0.433 303 A N 3.713 126.471 122.820 -0.104 0.000 2.573 303 A HA 0.088 4.408 4.320 0.000 0.000 0.250 303 A C -1.759 175.778 177.584 -0.078 0.000 1.049 303 A CA -0.647 51.332 52.037 -0.096 0.000 0.767 303 A CB -0.378 18.533 19.000 -0.149 0.000 0.965 303 A HN 0.144 nan 8.150 nan 0.000 0.514 304 P HA 0.482 nan 4.420 nan 0.000 0.335 304 P C 0.912 178.202 177.300 -0.018 0.000 1.388 304 P CA 0.745 63.829 63.100 -0.027 0.000 0.859 304 P CB -0.057 31.635 31.700 -0.014 0.000 2.107 305 G N 0.287 109.083 108.800 -0.007 0.000 2.622 305 G HA2 -0.164 3.796 3.960 0.000 0.000 0.272 305 G HA3 -0.164 3.796 3.960 0.000 0.000 0.272 305 G C -2.357 172.547 174.900 0.006 0.000 1.308 305 G CA 0.045 45.145 45.100 0.001 0.000 0.919 305 G HN 0.639 nan 8.290 nan 0.000 0.565 309 V N 5.647 125.654 119.914 0.155 0.000 2.483 309 V HA 0.695 4.815 4.120 0.000 0.000 0.295 309 V C -0.527 175.668 176.094 0.169 0.000 1.035 309 V CA -0.665 61.749 62.300 0.192 0.000 0.896 309 V CB 1.871 33.795 31.823 0.168 0.000 0.986 309 V HN 0.615 nan 8.190 nan 0.000 0.447 310 L N 4.169 125.494 121.223 0.169 0.000 2.376 310 L HA 0.889 5.229 4.340 0.000 0.000 0.275 310 L C 0.024 176.948 176.870 0.090 0.000 0.987 310 L CA 0.002 54.909 54.840 0.112 0.000 0.828 310 L CB 1.685 43.801 42.059 0.095 0.000 1.249 310 L HN 0.868 nan 8.230 nan 0.000 0.409 311 A N 1.767 124.606 122.820 0.032 0.000 2.556 311 A HA 0.868 5.188 4.320 0.000 0.000 0.294 311 A C 0.166 177.710 177.584 -0.066 0.000 1.091 311 A CA -0.183 51.834 52.037 -0.033 0.000 0.704 311 A CB 1.007 19.920 19.000 -0.144 0.000 1.300 311 A HN 0.751 nan 8.150 nan 0.000 0.406 312 G N -0.186 108.572 108.800 -0.071 0.000 2.939 312 G HA2 0.460 4.420 3.960 0.000 0.000 0.257 312 G HA3 0.460 4.420 3.960 0.000 0.000 0.257 312 G C 0.573 175.400 174.900 -0.121 0.000 1.259 312 G CA 1.060 46.115 45.100 -0.074 0.000 0.928 312 G HN 2.413 nan 8.290 nan 0.000 0.615 313 S N -1.835 113.786 115.700 -0.131 0.000 3.385 313 S HA 0.030 4.500 4.470 0.000 0.000 0.613 313 S C 0.740 175.126 174.600 -0.357 0.000 0.653 313 S CA 0.856 58.949 58.200 -0.179 0.000 1.401 313 S CB -1.233 61.901 63.200 -0.111 0.000 1.031 313 S HN 2.093 nan 8.310 nan 0.000 0.883 317 A N -0.295 122.517 122.820 -0.014 0.000 2.687 317 A HA -0.031 4.289 4.320 0.000 0.000 0.299 317 A C 0.712 178.283 177.584 -0.020 0.000 1.497 317 A CA 1.477 53.505 52.037 -0.014 0.000 0.751 317 A CB -2.245 16.759 19.000 0.007 0.000 1.048 317 A HN 1.235 nan 8.150 nan 0.000 0.464 318 G N -2.431 106.341 108.800 -0.047 0.000 2.472 318 G HA2 0.663 4.623 3.960 0.000 0.000 0.199 318 G HA3 0.663 4.623 3.960 0.000 0.000 0.199 318 G C 1.071 175.930 174.900 -0.067 0.000 1.547 318 G CA 1.518 46.591 45.100 -0.045 0.000 0.701 318 G HN 1.893 nan 8.290 nan 0.000 0.623 319 G N -0.426 108.309 108.800 -0.109 0.000 3.178 319 G HA2 0.132 4.093 3.960 0.000 0.000 0.134 319 G HA3 0.132 4.093 3.960 0.000 0.000 0.134 319 G C 0.940 175.717 174.900 -0.205 0.000 1.143 319 G CA 0.404 45.421 45.100 -0.139 0.000 1.487 319 G HN 0.158 nan 8.290 nan 0.000 0.711 320 R N 0.199 120.632 120.500 -0.112 0.000 2.226 320 R HA -0.022 4.318 4.340 0.000 0.000 0.246 320 R C 2.260 178.344 176.300 -0.361 0.000 1.161 320 R CA 1.558 57.570 56.100 -0.146 0.000 0.997 320 R CB -0.577 29.637 30.300 -0.144 0.000 0.870 320 R HN 0.422 nan 8.270 nan 0.000 0.465 321 I N -0.101 120.310 120.570 -0.264 0.000 2.286 321 I HA -0.142 4.028 4.170 0.000 0.000 0.245 321 I C 1.492 177.521 176.117 -0.147 0.000 1.104 321 I CA 1.407 62.577 61.300 -0.217 0.000 1.397 321 I CB -0.071 37.852 38.000 -0.128 0.000 1.072 321 I HN 0.086 nan 8.210 nan 0.000 0.417 322 L N -0.013 121.101 121.223 -0.181 0.000 2.131 322 L HA -0.206 4.134 4.340 0.000 0.000 0.210 322 L C 2.507 179.332 176.870 -0.075 0.000 1.092 322 L CA 0.962 55.715 54.840 -0.144 0.000 0.759 322 L CB -1.191 40.739 42.059 -0.214 0.000 0.903 322 L HN 0.349 nan 8.230 nan 0.000 0.435 323 H N -1.018 118.065 119.070 0.022 0.000 2.491 323 H HA -0.078 4.478 4.556 0.000 0.000 0.290 323 H C 1.752 177.221 175.328 0.235 0.000 1.050 323 H CA 1.174 57.286 56.048 0.106 0.000 1.309 323 H CB -0.152 29.644 29.762 0.057 0.000 1.392 323 H HN 0.576 nan 8.280 nan 0.000 0.554 324 H N -1.053 118.080 119.070 0.105 0.000 2.553 324 H HA 0.018 4.574 4.556 0.000 0.000 0.265 324 H C 1.445 176.805 175.328 0.053 0.000 0.964 324 H CA -0.232 55.851 56.048 0.058 0.000 1.156 324 H CB 0.763 30.538 29.762 0.022 0.000 1.411 324 H HN 0.066 nan 8.280 nan 0.000 0.558 325 L N 0.757 122.079 121.223 0.165 0.000 2.556 325 L HA 0.087 4.427 4.340 0.000 0.000 0.226 325 L C 2.027 178.953 176.870 0.094 0.000 1.089 325 L CA 0.936 55.831 54.840 0.092 0.000 0.864 325 L CB 0.027 42.116 42.059 0.049 0.000 1.067 325 L HN -0.016 nan 8.230 nan 0.000 0.477 326 K N -0.649 119.837 120.400 0.144 0.000 1.992 326 K HA -0.093 4.228 4.320 0.000 0.000 0.210 326 K C 0.059 176.727 176.600 0.113 0.000 1.036 326 K CA 0.739 57.107 56.287 0.135 0.000 0.946 326 K CB -0.169 32.474 32.500 0.239 0.000 0.742 326 K HN 0.217 nan 8.250 nan 0.000 0.442 327 H N 0.150 119.256 119.070 0.060 0.000 3.330 327 H HA 0.302 4.858 4.556 0.000 0.000 0.260 327 H C 0.141 175.476 175.328 0.013 0.000 1.439 327 H CA 0.928 56.993 56.048 0.028 0.000 1.540 327 H CB 0.208 29.980 29.762 0.017 0.000 1.698 327 H HN 0.635 nan 8.280 nan 0.000 0.516 328 G N 0.467 109.313 108.800 0.075 0.000 2.359 328 G HA2 0.118 4.078 3.960 0.000 0.000 0.303 328 G HA3 0.118 4.078 3.960 0.000 0.000 0.303 328 G C -0.243 174.674 174.900 0.029 0.000 1.293 328 G CA -0.458 44.669 45.100 0.045 0.000 0.964 328 G HN 0.685 nan 8.290 nan 0.000 0.531 329 L N -1.544 119.689 121.223 0.017 0.000 4.977 329 L HA -0.205 4.135 4.340 0.000 0.000 0.398 329 L C 1.351 178.224 176.870 0.003 0.000 0.818 329 L CA 3.704 58.550 54.840 0.009 0.000 2.090 329 L CB -1.511 40.559 42.059 0.018 0.000 1.320 329 L HN 2.360 nan 8.230 nan 0.000 0.615 330 S N -0.543 115.158 115.700 0.001 0.000 2.514 330 S HA 0.667 5.137 4.470 0.000 0.000 0.179 330 S C -0.253 174.343 174.600 -0.007 0.000 1.409 330 S CA 0.152 58.348 58.200 -0.007 0.000 1.138 330 S CB 0.732 63.922 63.200 -0.017 0.000 1.217 330 S HN 0.552 nan 8.310 nan 0.000 0.493 331 D N 1.403 121.801 120.400 -0.004 0.000 2.104 331 D HA 0.142 4.782 4.640 0.000 0.000 0.144 331 D C -2.585 173.714 176.300 -0.001 0.000 1.137 331 D CA -0.807 53.191 54.000 -0.003 0.000 1.014 331 D CB 1.236 42.035 40.800 -0.001 0.000 2.540 331 D HN 0.097 nan 8.370 nan 0.000 0.548 332 P HA -0.127 nan 4.420 nan 0.000 0.234 332 P C 1.037 178.340 177.300 0.004 0.000 1.162 332 P CA 0.529 63.629 63.100 0.000 0.000 0.759 332 P CB 0.301 32.001 31.700 -0.001 0.000 0.813 333 R N -0.666 119.836 120.500 0.003 0.000 2.073 333 R HA 0.012 4.352 4.340 0.000 0.000 0.229 333 R C 1.115 177.419 176.300 0.006 0.000 1.120 333 R CA 0.522 56.624 56.100 0.003 0.000 0.967 333 R CB -0.369 29.931 30.300 -0.001 0.000 0.862 333 R HN 0.306 nan 8.270 nan 0.000 0.436 334 N N 0.642 119.346 118.700 0.007 0.000 2.399 334 N HA 0.231 4.971 4.740 0.000 0.000 0.250 334 N C -0.705 174.819 175.510 0.024 0.000 1.272 334 N CA 0.366 53.423 53.050 0.011 0.000 0.928 334 N CB 1.046 39.538 38.487 0.007 0.000 1.158 334 N HN 0.147 nan 8.380 nan 0.000 0.463 335 A N 0.928 123.768 122.820 0.034 0.000 2.408 335 A HA 0.421 4.741 4.320 0.000 0.000 0.295 335 A C -0.924 176.691 177.584 0.053 0.000 1.040 335 A CA -0.660 51.428 52.037 0.085 0.000 0.707 335 A CB 0.966 20.050 19.000 0.139 0.000 1.235 335 A HN 0.611 nan 8.150 nan 0.000 0.418 336 L N 3.907 125.137 121.223 0.012 0.000 2.255 336 L HA 0.575 4.915 4.340 0.000 0.000 0.289 336 L C -1.189 175.614 176.870 -0.111 0.000 1.046 336 L CA -0.594 54.168 54.840 -0.130 0.000 0.816 336 L CB 1.018 42.937 42.059 -0.234 0.000 1.197 336 L HN 0.479 nan 8.230 nan 0.000 0.427 337 V N 5.586 125.446 119.914 -0.090 0.000 2.347 337 V HA 0.314 4.434 4.120 0.000 0.000 0.280 337 V C -0.314 175.756 176.094 -0.040 0.000 1.021 337 V CA -0.401 61.939 62.300 0.067 0.000 0.847 337 V CB 1.197 33.174 31.823 0.256 0.000 0.990 337 V HN 0.431 nan 8.190 nan 0.000 0.444 338 F N 4.385 124.456 119.950 0.203 0.000 2.405 338 F HA 0.419 4.946 4.527 0.000 0.000 0.355 338 F C 1.010 176.930 175.800 0.201 0.000 1.121 338 F CA -0.448 57.648 58.000 0.160 0.000 1.112 338 F CB 1.735 40.800 39.000 0.109 0.000 1.126 338 F HN 0.398 nan 8.300 nan 0.000 0.481 339 V N 0.868 121.023 119.914 0.401 0.000 2.490 339 V HA 0.425 4.545 4.120 0.000 0.000 0.238 339 V C 0.988 177.325 176.094 0.405 0.000 1.056 339 V CA 0.651 63.174 62.300 0.371 0.000 1.075 339 V CB -0.906 30.994 31.823 0.127 0.000 0.746 339 V HN 0.655 nan 8.190 nan 0.000 0.479 340 G N -0.618 108.427 108.800 0.410 0.000 2.322 340 G HA2 0.482 4.442 3.960 0.000 0.000 0.309 340 G HA3 0.482 4.442 3.960 0.000 0.000 0.309 340 G C -0.954 174.251 174.900 0.509 0.000 1.121 340 G CA -0.547 44.862 45.100 0.514 0.000 0.886 340 G HN 0.256 nan 8.290 nan 0.000 0.447 341 Y N 1.659 122.153 120.300 0.324 0.000 2.887 341 Y HA -0.092 4.458 4.550 0.000 0.000 0.350 341 Y C 1.376 177.347 175.900 0.118 0.000 1.294 341 Y CA 0.360 58.585 58.100 0.207 0.000 1.622 341 Y CB 0.113 38.712 38.460 0.231 0.000 1.201 341 Y HN 0.330 nan 8.280 nan 0.000 0.546 342 Q N 5.827 125.672 119.800 0.076 0.000 2.293 342 Q HA 0.271 4.611 4.340 0.000 0.000 0.251 342 Q C -1.946 174.057 176.000 0.004 0.000 0.930 342 Q CA -1.857 53.937 55.803 -0.016 0.000 0.893 342 Q CB 0.602 29.163 28.738 -0.295 0.000 1.215 342 Q HN 0.464 nan 8.270 nan 0.000 0.425 343 P HA 0.073 nan 4.420 nan 0.000 0.271 343 P C -0.686 176.607 177.300 -0.012 0.000 1.218 343 P CA -0.168 62.942 63.100 0.017 0.000 0.780 343 P CB 0.878 32.601 31.700 0.039 0.000 0.901 344 Q N 0.383 120.175 119.800 -0.014 0.000 2.314 344 Q HA 0.393 4.734 4.340 0.000 0.000 0.258 344 Q C 1.089 177.081 176.000 -0.013 0.000 0.954 344 Q CA 0.682 56.474 55.803 -0.019 0.000 0.890 344 Q CB 0.752 29.480 28.738 -0.018 0.000 1.210 344 Q HN 0.882 nan 8.270 nan 0.000 0.410 345 G N 2.064 110.855 108.800 -0.014 0.000 3.211 345 G HA2 -0.239 3.721 3.960 0.000 0.000 0.206 345 G HA3 -0.239 3.721 3.960 0.000 0.000 0.206 345 G C 0.502 175.399 174.900 -0.005 0.000 1.418 345 G CA -0.475 44.621 45.100 -0.008 0.000 0.958 345 G HN 0.897 nan 8.290 nan 0.000 0.567 346 G N 0.786 109.586 108.800 -0.001 0.000 2.732 346 G HA2 0.516 4.476 3.960 0.000 0.000 0.244 346 G HA3 0.516 4.476 3.960 0.000 0.000 0.244 346 G C 0.565 175.465 174.900 0.000 0.000 1.226 346 G CA 0.399 45.501 45.100 0.004 0.000 0.860 346 G HN 1.211 nan 8.290 nan 0.000 0.583 347 L N 0.752 121.982 121.223 0.012 0.000 2.453 347 L HA 0.369 4.709 4.340 0.000 0.000 0.274 347 L C 1.968 178.848 176.870 0.018 0.000 1.270 347 L CA 2.342 57.196 54.840 0.024 0.000 0.822 347 L CB 0.020 42.103 42.059 0.039 0.000 1.091 347 L HN 1.538 nan 8.230 nan 0.000 0.546 348 G N 0.698 109.532 108.800 0.057 0.000 4.754 348 G HA2 -0.387 3.573 3.960 0.000 0.000 0.222 348 G HA3 -0.387 3.573 3.960 0.000 0.000 0.222 348 G C 1.123 175.940 174.900 -0.139 0.000 1.377 348 G CA 0.975 46.083 45.100 0.014 0.000 0.942 348 G HN 1.447 nan 8.290 nan 0.000 0.671 349 A N 0.642 123.378 122.820 -0.140 0.000 2.019 349 A HA 0.170 4.491 4.320 0.000 0.000 0.219 349 A C 2.056 179.606 177.584 -0.056 0.000 1.164 349 A CA 2.463 54.429 52.037 -0.118 0.000 0.644 349 A CB -0.417 18.536 19.000 -0.078 0.000 0.805 349 A HN 0.827 nan 8.150 nan 0.000 0.449 350 E N -0.197 119.987 120.200 -0.026 0.000 2.216 350 E HA -0.031 4.319 4.350 0.000 0.000 0.192 350 E C 1.511 178.119 176.600 0.013 0.000 0.988 350 E CA 0.594 56.992 56.400 -0.003 0.000 0.834 350 E CB -0.125 29.579 29.700 0.007 0.000 0.772 350 E HN 0.674 nan 8.360 nan 0.000 0.479 351 I N 1.168 121.758 120.570 0.034 0.000 3.291 351 I HA -0.129 4.041 4.170 0.000 0.000 0.279 351 I C 1.590 177.744 176.117 0.061 0.000 1.294 351 I CA -0.035 61.308 61.300 0.071 0.000 1.428 351 I CB 0.024 38.118 38.000 0.158 0.000 1.070 351 I HN 0.212 nan 8.210 nan 0.000 0.478 352 I N 1.191 121.771 120.570 0.017 0.000 2.500 352 I HA -0.104 4.066 4.170 0.000 0.000 0.252 352 I C 2.826 178.945 176.117 0.003 0.000 1.142 352 I CA 1.033 62.334 61.300 0.002 0.000 1.451 352 I CB -1.287 36.685 38.000 -0.047 0.000 1.093 352 I HN 0.138 nan 8.210 nan 0.000 0.430 353 A N 0.357 123.178 122.820 0.001 0.000 1.972 353 A HA -0.178 4.142 4.320 0.000 0.000 0.219 353 A C 1.442 179.029 177.584 0.005 0.000 1.169 353 A CA 1.116 53.154 52.037 0.001 0.000 0.635 353 A CB -0.322 18.678 19.000 0.000 0.000 0.810 353 A HN 0.406 nan 8.150 nan 0.000 0.446 354 R N -1.365 119.140 120.500 0.010 0.000 3.193 354 R HA -0.088 4.252 4.340 0.000 0.000 0.265 354 R C -2.313 173.990 176.300 0.006 0.000 1.067 354 R CA 0.623 56.729 56.100 0.009 0.000 0.707 354 R CB -2.638 27.663 30.300 0.003 0.000 1.251 354 R HN 0.541 nan 8.270 nan 0.000 0.401 355 P HA 0.242 nan 4.420 nan 0.000 0.286 355 P C -1.725 175.578 177.300 0.004 0.000 1.293 355 P CA -0.794 62.309 63.100 0.006 0.000 0.770 355 P CB 0.404 32.108 31.700 0.007 0.000 1.206 356 P HA 0.021 nan 4.420 nan 0.000 0.217 356 P C 0.399 177.700 177.300 0.002 0.000 1.151 356 P CA 1.321 64.422 63.100 0.001 0.000 0.828 356 P CB 0.148 31.848 31.700 0.000 0.000 0.788 357 A N -1.805 121.017 122.820 0.004 0.000 2.515 357 A HA 0.677 4.997 4.320 0.000 0.000 0.299 357 A C -1.445 176.144 177.584 0.008 0.000 1.179 357 A CA -0.415 51.625 52.037 0.005 0.000 0.656 357 A CB 1.448 20.449 19.000 0.001 0.000 1.306 357 A HN -0.121 nan 8.150 nan 0.000 0.459 358 V N 0.081 120.001 119.914 0.010 0.000 3.264 358 V HA 0.540 4.660 4.120 0.000 0.000 0.294 358 V C -1.243 174.858 176.094 0.012 0.000 1.429 358 V CA -1.063 61.245 62.300 0.013 0.000 1.053 358 V CB 2.097 33.932 31.823 0.020 0.000 1.128 358 V HN 1.237 nan 8.190 nan 0.000 0.452 359 R N 2.243 122.750 120.500 0.012 0.000 2.349 359 R HA 0.697 5.037 4.340 0.000 0.000 0.299 359 R C -1.386 174.922 176.300 0.014 0.000 1.027 359 R CA -0.307 55.800 56.100 0.011 0.000 0.958 359 R CB 1.037 31.342 30.300 0.009 0.000 1.047 359 R HN 0.671 nan 8.270 nan 0.000 0.468 360 I N 4.471 125.050 120.570 0.016 0.000 2.497 360 I HA 0.164 4.334 4.170 0.000 0.000 0.284 360 I C -0.097 176.030 176.117 0.017 0.000 1.060 360 I CA -0.890 60.418 61.300 0.014 0.000 1.071 360 I CB 1.433 39.447 38.000 0.024 0.000 1.216 360 I HN 0.363 nan 8.210 nan 0.000 0.442 361 L N 5.717 126.942 121.223 0.004 0.000 3.938 361 L HA -0.169 4.171 4.340 0.000 0.000 0.405 361 L C 1.179 178.063 176.870 0.024 0.000 1.202 361 L CA 1.164 56.012 54.840 0.013 0.000 0.920 361 L CB -2.285 39.800 42.059 0.042 0.000 2.054 361 L HN 1.127 nan 8.230 nan 0.000 0.815 362 G N 0.430 109.239 108.800 0.016 0.000 2.249 362 G HA2 -0.256 3.704 3.960 0.000 0.000 0.273 362 G HA3 -0.256 3.704 3.960 0.000 0.000 0.273 362 G C 0.202 175.112 174.900 0.017 0.000 1.036 362 G CA 0.978 46.087 45.100 0.015 0.000 0.824 362 G HN 0.704 nan 8.290 nan 0.000 0.504 363 E N 0.084 120.295 120.200 0.018 0.000 2.518 363 E HA 0.485 4.835 4.350 0.000 0.000 0.240 363 E C 0.020 176.625 176.600 0.009 0.000 0.996 363 E CA -0.770 55.639 56.400 0.015 0.000 0.768 363 E CB 0.499 30.214 29.700 0.025 0.000 1.329 363 E HN 0.299 nan 8.360 nan 0.000 0.408 364 E N 2.077 122.279 120.200 0.005 0.000 2.558 364 E HA 0.163 4.513 4.350 0.000 0.000 0.255 364 E C -1.270 175.328 176.600 -0.004 0.000 0.968 364 E CA 0.222 56.623 56.400 0.002 0.000 0.939 364 E CB 0.708 30.409 29.700 0.001 0.000 0.921 364 E HN 0.248 nan 8.360 nan 0.000 0.477 365 V N 6.643 126.555 119.914 -0.004 0.000 2.760 365 V HA 0.469 4.589 4.120 0.000 0.000 0.309 365 V C -2.360 173.730 176.094 -0.006 0.000 1.077 365 V CA -2.389 59.904 62.300 -0.012 0.000 0.910 365 V CB 2.022 33.835 31.823 -0.017 0.000 1.008 365 V HN 0.739 nan 8.190 nan 0.000 0.424 366 P HA 0.101 nan 4.420 nan 0.000 0.277 366 P C -1.347 175.952 177.300 -0.002 0.000 1.269 366 P CA 0.035 63.131 63.100 -0.007 0.000 0.840 366 P CB 0.268 31.961 31.700 -0.011 0.000 1.156 367 L N -0.266 120.956 121.223 -0.002 0.000 2.617 367 L HA 0.339 4.679 4.340 0.000 0.000 0.259 367 L C -0.040 176.827 176.870 -0.004 0.000 0.995 367 L CA 0.436 55.276 54.840 0.000 0.000 0.899 367 L CB 0.728 42.790 42.059 0.005 0.000 1.181 367 L HN 0.180 nan 8.230 nan 0.000 0.437 368 R N 2.752 123.248 120.500 -0.006 0.000 2.531 368 R HA 0.568 4.908 4.340 0.000 0.000 0.316 368 R C 0.166 176.460 176.300 -0.010 0.000 0.955 368 R CA 0.190 56.286 56.100 -0.008 0.000 1.120 368 R CB 1.292 31.588 30.300 -0.007 0.000 1.361 368 R HN 0.580 nan 8.270 nan 0.000 0.534 369 A N 1.545 124.357 122.820 -0.012 0.000 2.310 369 A HA 0.361 4.681 4.320 0.000 0.000 0.299 369 A C 0.322 177.881 177.584 -0.042 0.000 1.147 369 A CA -0.451 51.577 52.037 -0.015 0.000 0.818 369 A CB 0.674 19.669 19.000 -0.009 0.000 1.096 369 A HN 0.240 nan 8.150 nan 0.000 0.495 370 S N 1.625 117.296 115.700 -0.049 0.000 2.481 370 S HA 0.364 4.834 4.470 0.000 0.000 0.282 370 S C -0.069 174.332 174.600 -0.332 0.000 1.243 370 S CA -0.587 57.518 58.200 -0.159 0.000 1.078 370 S CB 0.041 63.202 63.200 -0.064 0.000 0.916 370 S HN 0.628 nan 8.310 nan 0.000 0.495 371 V N 5.541 125.252 119.914 -0.338 0.000 2.432 371 V HA 0.340 4.460 4.120 0.000 0.000 0.275 371 V C 0.155 176.006 176.094 -0.405 0.000 1.043 371 V CA -0.433 61.720 62.300 -0.245 0.000 0.925 371 V CB 0.229 32.040 31.823 -0.021 0.000 0.985 371 V HN 0.868 nan 8.190 nan 0.000 0.466 372 H N 2.314 121.443 119.070 0.098 0.000 2.589 372 H HA 0.430 4.986 4.556 0.000 0.000 0.351 372 H C -0.647 174.830 175.328 0.249 0.000 1.074 372 H CA -0.506 55.620 56.048 0.130 0.000 1.203 372 H CB 2.201 32.014 29.762 0.085 0.000 1.558 372 H HN 0.514 nan 8.280 nan 0.000 0.522 373 T N 4.945 119.700 114.554 0.334 0.000 2.963 373 T HA 0.283 4.634 4.350 0.000 0.000 0.343 373 T C 0.542 175.345 174.700 0.172 0.000 1.146 373 T CA -0.590 61.697 62.100 0.311 0.000 1.016 373 T CB -0.060 68.892 68.868 0.140 0.000 1.046 373 T HN 0.272 nan 8.240 nan 0.000 0.496 374 L N 3.395 124.747 121.223 0.215 0.000 2.268 374 L HA 0.471 4.811 4.340 0.000 0.000 0.289 374 L C 1.413 178.348 176.870 0.108 0.000 1.064 374 L CA -0.509 54.405 54.840 0.124 0.000 0.824 374 L CB 0.571 42.708 42.059 0.130 0.000 1.202 374 L HN 0.674 nan 8.230 nan 0.000 0.433 375 G N 1.710 110.520 108.800 0.016 0.000 2.935 375 G HA2 0.244 4.204 3.960 0.000 0.000 0.157 375 G HA3 0.244 4.204 3.960 0.000 0.000 0.157 375 G C 0.971 176.031 174.900 0.268 0.000 1.712 375 G CA -0.017 45.145 45.100 0.104 0.000 1.071 375 G HN 0.842 nan 8.290 nan 0.000 0.539 376 G N -0.965 108.045 108.800 0.350 0.000 2.477 376 G HA2 -0.280 3.680 3.960 0.000 0.000 0.310 376 G HA3 -0.280 3.680 3.960 0.000 0.000 0.310 376 G C 0.473 175.453 174.900 0.135 0.000 0.876 376 G CA 1.116 46.287 45.100 0.118 0.000 0.929 376 G HN 0.442 nan 8.290 nan 0.000 0.507 377 F N -1.090 118.894 119.950 0.057 0.000 2.925 377 F HA 0.290 4.817 4.527 0.000 0.000 0.355 377 F C 1.561 177.396 175.800 0.058 0.000 1.073 377 F CA -0.106 57.944 58.000 0.083 0.000 1.127 377 F CB 0.645 39.678 39.000 0.055 0.000 1.123 377 F HN 0.272 nan 8.300 nan 0.000 0.551 378 S N 0.052 115.857 115.700 0.175 0.000 2.576 378 S HA 0.173 4.643 4.470 0.000 0.000 0.272 378 S C 1.298 175.858 174.600 -0.066 0.000 1.352 378 S CA 0.560 58.793 58.200 0.056 0.000 1.021 378 S CB 1.314 64.425 63.200 -0.149 0.000 0.887 378 S HN 0.394 nan 8.310 nan 0.000 0.542 379 G N 1.463 110.242 108.800 -0.035 0.000 2.880 379 G HA2 0.136 4.096 3.960 0.000 0.000 0.209 379 G HA3 0.136 4.096 3.960 0.000 0.000 0.209 379 G C 0.243 175.070 174.900 -0.123 0.000 1.157 379 G CA 0.158 45.174 45.100 -0.139 0.000 0.779 379 G HN 0.751 nan 8.290 nan 0.000 0.539 380 H N -0.573 118.442 119.070 -0.092 0.000 2.500 380 H HA 0.633 5.189 4.556 0.000 0.000 0.351 380 H C 0.512 175.764 175.328 -0.127 0.000 1.281 380 H CA 0.155 56.146 56.048 -0.095 0.000 1.368 380 H CB 1.240 30.917 29.762 -0.141 0.000 1.616 380 H HN 0.169 nan 8.280 nan 0.000 0.591 381 A N 0.407 123.256 122.820 0.048 0.000 2.316 381 A HA 0.550 4.870 4.320 0.000 0.000 0.284 381 A C 0.628 178.248 177.584 0.061 0.000 1.115 381 A CA 0.007 52.068 52.037 0.040 0.000 0.812 381 A CB 0.084 19.056 19.000 -0.047 0.000 1.064 381 A HN 0.773 nan 8.150 nan 0.000 0.489 382 G N -0.681 108.182 108.800 0.106 0.000 2.448 382 G HA2 0.382 4.342 3.960 0.000 0.000 0.285 382 G HA3 0.382 4.342 3.960 0.000 0.000 0.285 382 G C 0.598 175.482 174.900 -0.027 0.000 1.176 382 G CA 0.119 45.150 45.100 -0.115 0.000 0.852 382 G HN 0.949 nan 8.290 nan 0.000 0.530 383 Q N 0.070 119.846 119.800 -0.039 0.000 2.224 383 Q HA -0.269 4.071 4.340 0.000 0.000 0.213 383 Q C 1.814 177.832 176.000 0.030 0.000 0.998 383 Q CA 2.557 58.365 55.803 0.010 0.000 0.895 383 Q CB -0.050 28.692 28.738 0.007 0.000 0.926 383 Q HN 0.785 nan 8.270 nan 0.000 0.417 384 D N -0.872 119.548 120.400 0.033 0.000 2.162 384 D HA -0.164 4.476 4.640 0.000 0.000 0.203 384 D C 1.347 177.686 176.300 0.064 0.000 0.967 384 D CA 1.007 55.037 54.000 0.049 0.000 0.840 384 D CB -0.361 40.471 40.800 0.053 0.000 0.972 384 D HN 0.452 nan 8.370 nan 0.000 0.482 385 E N 0.517 120.757 120.200 0.068 0.000 2.028 385 E HA -0.047 4.304 4.350 0.000 0.000 0.191 385 E C 2.510 179.169 176.600 0.098 0.000 0.988 385 E CA 0.392 56.840 56.400 0.080 0.000 0.799 385 E CB -0.064 29.678 29.700 0.069 0.000 0.755 385 E HN 0.230 nan 8.360 nan 0.000 0.447 386 L N 0.822 122.089 121.223 0.074 0.000 2.043 386 L HA -0.255 4.085 4.340 0.000 0.000 0.212 386 L C 2.504 179.461 176.870 0.146 0.000 1.075 386 L CA 0.951 55.850 54.840 0.098 0.000 0.752 386 L CB -0.318 41.779 42.059 0.063 0.000 0.891 386 L HN 0.210 nan 8.230 nan 0.000 0.432 387 L N -0.618 120.665 121.223 0.100 0.000 2.017 387 L HA -0.266 4.074 4.340 0.000 0.000 0.208 387 L C 2.325 179.248 176.870 0.089 0.000 1.073 387 L CA 1.324 56.213 54.840 0.083 0.000 0.745 387 L CB -0.570 41.524 42.059 0.057 0.000 0.894 387 L HN 0.329 nan 8.230 nan 0.000 0.432 388 D N -1.089 119.371 120.400 0.100 0.000 2.097 388 D HA -0.252 4.388 4.640 0.000 0.000 0.195 388 D C 1.739 178.106 176.300 0.112 0.000 0.989 388 D CA 1.245 55.299 54.000 0.090 0.000 0.827 388 D CB -0.322 40.535 40.800 0.094 0.000 0.966 388 D HN 0.415 nan 8.370 nan 0.000 0.456 389 W N 1.208 122.487 121.300 -0.034 0.000 2.358 389 W HA -0.119 4.541 4.660 0.000 0.000 0.303 389 W C 1.693 178.165 176.519 -0.078 0.000 1.208 389 W CA 0.707 58.013 57.345 -0.065 0.000 1.274 389 W CB -0.073 29.339 29.460 -0.081 0.000 1.138 389 W HN -0.112 nan 8.180 nan 0.000 0.515 390 L N 0.859 122.140 121.223 0.096 0.000 2.552 390 L HA -0.002 4.338 4.340 0.000 0.000 0.227 390 L C 1.096 177.907 176.870 -0.097 0.000 1.146 390 L CA 0.885 55.701 54.840 -0.040 0.000 0.858 390 L CB -2.133 39.972 42.059 0.076 0.000 0.969 390 L HN 0.082 nan 8.230 nan 0.000 0.451 391 Q N 0.479 120.235 119.800 -0.073 0.000 2.394 391 Q HA 0.071 4.411 4.340 0.000 0.000 0.347 391 Q C 1.449 177.392 176.000 -0.095 0.000 1.144 391 Q CA 1.431 57.195 55.803 -0.065 0.000 1.050 391 Q CB 0.136 28.843 28.738 -0.053 0.000 1.188 391 Q HN 0.479 nan 8.270 nan 0.000 0.406 392 G N 2.430 111.191 108.800 -0.064 0.000 2.216 392 G HA2 -0.289 3.671 3.960 0.000 0.000 0.269 392 G HA3 -0.289 3.671 3.960 0.000 0.000 0.269 392 G C -0.405 174.450 174.900 -0.076 0.000 0.981 392 G CA 0.654 45.715 45.100 -0.065 0.000 0.658 392 G HN 0.608 nan 8.290 nan 0.000 0.539 393 E N 1.468 121.614 120.200 -0.091 0.000 2.167 393 E HA 0.351 4.701 4.350 0.000 0.000 0.284 393 E C -2.150 174.417 176.600 -0.056 0.000 1.016 393 E CA -1.625 54.719 56.400 -0.093 0.000 0.817 393 E CB 1.905 31.524 29.700 -0.136 0.000 1.080 393 E HN 0.346 nan 8.360 nan 0.000 0.397 394 P HA 0.260 nan 4.420 nan 0.000 0.287 394 P C -0.389 176.896 177.300 -0.025 0.000 1.270 394 P CA -0.524 62.559 63.100 -0.030 0.000 0.844 394 P CB 1.113 32.797 31.700 -0.027 0.000 1.068 395 R N -0.523 119.968 120.500 -0.016 0.000 1.430 395 R HA -0.066 4.274 4.340 0.000 0.000 0.404 395 R C -1.409 174.888 176.300 -0.005 0.000 1.314 395 R CA 0.396 56.490 56.100 -0.010 0.000 1.171 395 R CB -1.907 28.386 30.300 -0.012 0.000 3.410 395 R HN 0.426 nan 8.270 nan 0.000 0.488 396 V N 3.739 123.655 119.914 0.005 0.000 2.610 396 V HA 0.169 4.289 4.120 0.000 0.000 0.288 396 V C -0.370 175.738 176.094 0.024 0.000 1.055 396 V CA -0.757 61.555 62.300 0.019 0.000 0.902 396 V CB 2.091 33.930 31.823 0.027 0.000 1.030 396 V HN 0.485 nan 8.190 nan 0.000 0.448 397 V N 6.751 126.679 119.914 0.024 0.000 2.348 397 V HA 0.509 4.629 4.120 0.000 0.000 0.270 397 V C -0.053 176.063 176.094 0.036 0.000 1.037 397 V CA -0.226 62.083 62.300 0.015 0.000 0.872 397 V CB 1.029 32.844 31.823 -0.014 0.000 1.002 397 V HN 0.619 nan 8.190 nan 0.000 0.464 398 L N 6.627 127.876 121.223 0.045 0.000 2.472 398 L HA 0.614 4.955 4.340 0.000 0.000 0.260 398 L C 0.317 177.234 176.870 0.079 0.000 1.209 398 L CA 0.400 55.282 54.840 0.069 0.000 0.817 398 L CB 1.272 43.369 42.059 0.064 0.000 1.106 398 L HN 0.638 nan 8.230 nan 0.000 0.479 399 V N 0.222 120.213 119.914 0.128 0.000 3.307 399 V HA 0.299 4.419 4.120 0.000 0.000 0.283 399 V C -0.941 175.319 176.094 0.276 0.000 1.618 399 V CA -0.637 61.770 62.300 0.179 0.000 1.052 399 V CB 1.710 33.648 31.823 0.191 0.000 1.200 399 V HN 0.951 nan 8.190 nan 0.000 0.468 400 H N 1.518 120.677 119.070 0.147 0.000 3.302 400 H HA 0.013 4.569 4.556 0.000 0.000 0.341 400 H C -0.346 175.022 175.328 0.067 0.000 1.049 400 H CA 1.770 57.893 56.048 0.124 0.000 1.073 400 H CB -0.889 28.971 29.762 0.164 0.000 1.565 400 H HN 2.403 nan 8.280 nan 0.000 0.375 401 G N 2.821 111.585 108.800 -0.060 0.000 2.369 401 G HA2 0.103 4.063 3.960 0.000 0.000 0.307 401 G HA3 0.103 4.063 3.960 0.000 0.000 0.307 401 G C -1.162 173.716 174.900 -0.037 0.000 1.327 401 G CA -0.389 44.678 45.100 -0.055 0.000 0.963 401 G HN 0.402 nan 8.290 nan 0.000 0.590 402 E N -0.095 120.074 120.200 -0.052 0.000 2.376 402 E HA 0.268 4.618 4.350 0.000 0.000 0.266 402 E C 1.410 178.002 176.600 -0.013 0.000 1.009 402 E CA 0.379 56.756 56.400 -0.038 0.000 0.902 402 E CB 1.141 30.808 29.700 -0.056 0.000 0.972 402 E HN 0.586 nan 8.360 nan 0.000 0.439 403 E N 2.837 123.035 120.200 -0.003 0.000 2.136 403 E HA -0.351 3.999 4.350 0.000 0.000 0.202 403 E C 0.825 177.427 176.600 0.004 0.000 1.019 403 E CA 1.862 58.266 56.400 0.007 0.000 0.819 403 E CB 0.257 29.961 29.700 0.006 0.000 0.739 403 E HN 0.520 nan 8.360 nan 0.000 0.458 404 E N 0.608 120.805 120.200 -0.005 0.000 1.998 404 E HA -0.171 4.179 4.350 0.000 0.000 0.196 404 E C 1.980 178.578 176.600 -0.003 0.000 1.003 404 E CA 1.575 57.972 56.400 -0.005 0.000 0.829 404 E CB -0.123 29.571 29.700 -0.010 0.000 0.777 404 E HN 0.175 nan 8.360 nan 0.000 0.460 405 K N 0.217 120.610 120.400 -0.012 0.000 2.163 405 K HA -0.239 4.081 4.320 0.000 0.000 0.210 405 K C 2.062 178.666 176.600 0.008 0.000 1.048 405 K CA 1.236 57.517 56.287 -0.011 0.000 0.928 405 K CB -0.372 32.106 32.500 -0.036 0.000 0.716 405 K HN 0.004 nan 8.250 nan 0.000 0.459 406 L N 0.473 121.704 121.223 0.013 0.000 2.017 406 L HA -0.162 4.178 4.340 0.000 0.000 0.208 406 L C 2.198 179.084 176.870 0.026 0.000 1.073 406 L CA 1.310 56.167 54.840 0.029 0.000 0.745 406 L CB -0.485 41.594 42.059 0.034 0.000 0.894 406 L HN 0.130 nan 8.230 nan 0.000 0.432 407 L N -1.203 120.031 121.223 0.018 0.000 2.313 407 L HA 0.029 4.369 4.340 0.000 0.000 0.214 407 L C 2.396 179.275 176.870 0.016 0.000 1.119 407 L CA 1.451 56.301 54.840 0.017 0.000 0.809 407 L CB -0.714 41.352 42.059 0.012 0.000 0.933 407 L HN 0.201 nan 8.230 nan 0.000 0.449 408 A N -0.630 122.198 122.820 0.014 0.000 1.877 408 A HA -0.209 4.111 4.320 0.000 0.000 0.216 408 A C 2.181 179.776 177.584 0.019 0.000 1.186 408 A CA 1.952 53.997 52.037 0.014 0.000 0.620 408 A CB -0.878 18.128 19.000 0.010 0.000 0.822 408 A HN 0.409 nan 8.150 nan 0.000 0.443 409 L N -0.000 121.237 121.223 0.024 0.000 2.156 409 L HA 0.086 4.426 4.340 0.000 0.000 0.208 409 L C 2.299 179.188 176.870 0.030 0.000 1.095 409 L CA 2.072 56.931 54.840 0.031 0.000 0.770 409 L CB -0.927 41.156 42.059 0.041 0.000 0.914 409 L HN 0.278 nan 8.230 nan 0.000 0.439 410 G N -0.579 108.238 108.800 0.028 0.000 2.418 410 G HA2 -0.329 3.631 3.960 0.000 0.000 0.217 410 G HA3 -0.329 3.631 3.960 0.000 0.000 0.217 410 G C 1.691 176.603 174.900 0.020 0.000 1.158 410 G CA 0.871 45.985 45.100 0.025 0.000 0.771 410 G HN 0.424 nan 8.290 nan 0.000 0.545 411 K N -0.108 120.302 120.400 0.018 0.000 2.020 411 K HA -0.054 4.266 4.320 0.000 0.000 0.212 411 K C 2.560 179.170 176.600 0.016 0.000 1.050 411 K CA 1.307 57.602 56.287 0.015 0.000 0.929 411 K CB -0.322 32.187 32.500 0.014 0.000 0.714 411 K HN 0.334 nan 8.250 nan 0.000 0.443 412 L N 0.861 122.095 121.223 0.019 0.000 2.046 412 L HA -0.195 4.145 4.340 0.000 0.000 0.208 412 L C 2.296 179.177 176.870 0.019 0.000 1.077 412 L CA 1.007 55.858 54.840 0.019 0.000 0.747 412 L CB -0.356 41.717 42.059 0.023 0.000 0.896 412 L HN 0.249 nan 8.230 nan 0.000 0.432 413 L N -0.734 120.502 121.223 0.021 0.000 2.201 413 L HA -0.115 4.225 4.340 0.000 0.000 0.212 413 L C 2.814 179.692 176.870 0.013 0.000 1.105 413 L CA 0.761 55.612 54.840 0.019 0.000 0.775 413 L CB -0.846 41.227 42.059 0.025 0.000 0.913 413 L HN 0.209 nan 8.230 nan 0.000 0.440 414 A N 0.689 123.516 122.820 0.013 0.000 1.898 414 A HA -0.101 4.219 4.320 0.000 0.000 0.216 414 A C 2.282 179.870 177.584 0.007 0.000 1.181 414 A CA 1.212 53.254 52.037 0.009 0.000 0.620 414 A CB -0.519 18.487 19.000 0.009 0.000 0.819 414 A HN 0.339 nan 8.150 nan 0.000 0.442 415 L N -1.303 119.925 121.223 0.009 0.000 2.027 415 L HA -0.098 4.242 4.340 0.000 0.000 0.206 415 L C 2.603 179.476 176.870 0.006 0.000 1.074 415 L CA 1.547 56.391 54.840 0.008 0.000 0.745 415 L CB -0.499 41.566 42.059 0.009 0.000 0.898 415 L HN 0.356 nan 8.230 nan 0.000 0.433 416 R N 0.845 121.349 120.500 0.007 0.000 2.397 416 R HA -0.079 4.261 4.340 0.000 0.000 0.213 416 R C 0.814 177.115 176.300 0.001 0.000 1.102 416 R CA 0.657 56.759 56.100 0.004 0.000 1.040 416 R CB -0.399 29.905 30.300 0.006 0.000 0.844 416 R HN 0.490 nan 8.270 nan 0.000 0.478 417 G N 0.737 109.538 108.800 0.001 0.000 2.256 417 G HA2 -0.293 3.667 3.960 0.000 0.000 0.272 417 G HA3 -0.293 3.667 3.960 0.000 0.000 0.272 417 G C -0.650 174.248 174.900 -0.004 0.000 1.076 417 G CA 0.115 45.214 45.100 -0.001 0.000 0.882 417 G HN 0.470 nan 8.290 nan 0.000 0.497 418 Q N -0.469 119.330 119.800 -0.002 0.000 2.333 418 Q HA 0.418 4.758 4.340 0.000 0.000 0.267 418 Q C 0.028 176.027 176.000 -0.001 0.000 1.012 418 Q CA -0.732 55.069 55.803 -0.004 0.000 0.824 418 Q CB 1.991 30.727 28.738 -0.003 0.000 1.290 418 Q HN 0.466 nan 8.270 nan 0.000 0.449 419 E N 2.900 123.098 120.200 -0.004 0.000 2.059 419 E HA 0.100 4.450 4.350 0.000 0.000 0.262 419 E C -1.062 175.539 176.600 0.001 0.000 1.230 419 E CA -0.140 56.258 56.400 -0.002 0.000 0.951 419 E CB 0.487 30.184 29.700 -0.005 0.000 1.038 419 E HN 0.289 nan 8.360 nan 0.000 0.425 420 V N 3.955 123.872 119.914 0.005 0.000 2.834 420 V HA 0.631 4.751 4.120 0.000 0.000 0.313 420 V C -0.707 175.391 176.094 0.008 0.000 1.060 420 V CA 0.079 62.385 62.300 0.010 0.000 0.989 420 V CB 1.941 33.773 31.823 0.015 0.000 1.041 420 V HN 0.795 nan 8.190 nan 0.000 0.459 421 S N 5.112 120.818 115.700 0.009 0.000 2.543 421 S HA 0.617 5.088 4.470 0.000 0.000 0.274 421 S C -1.544 173.062 174.600 0.009 0.000 1.149 421 S CA -0.805 57.398 58.200 0.006 0.000 0.866 421 S CB 1.203 64.402 63.200 -0.002 0.000 1.111 421 S HN 0.572 nan 8.310 nan 0.000 0.457 422 L N 2.134 123.363 121.223 0.010 0.000 2.399 422 L HA 0.784 5.124 4.340 0.000 0.000 0.266 422 L C 0.859 177.730 176.870 0.003 0.000 1.114 422 L CA -0.130 54.719 54.840 0.015 0.000 0.804 422 L CB 0.943 43.016 42.059 0.023 0.000 1.146 422 L HN 1.067 nan 8.230 nan 0.000 0.451 423 A N 3.535 126.356 122.820 0.001 0.000 2.388 423 A HA 0.602 4.922 4.320 0.000 0.000 0.257 423 A C -0.039 177.546 177.584 0.002 0.000 1.095 423 A CA -0.333 51.686 52.037 -0.029 0.000 0.791 423 A CB 0.080 19.042 19.000 -0.063 0.000 1.029 423 A HN 0.690 nan 8.150 nan 0.000 0.489 424 R N 1.290 121.779 120.500 -0.019 0.000 2.534 424 R HA 0.311 4.651 4.340 0.000 0.000 0.301 424 R C -0.951 175.363 176.300 0.023 0.000 0.961 424 R CA -0.627 55.491 56.100 0.029 0.000 0.871 424 R CB 1.578 31.888 30.300 0.017 0.000 1.170 424 R HN 0.704 nan 8.270 nan 0.000 0.446 425 F N 2.000 121.936 119.950 -0.023 0.000 2.604 425 F HA -0.080 4.447 4.527 0.000 0.000 0.390 425 F C 1.511 177.256 175.800 -0.092 0.000 1.053 425 F CA 2.259 60.247 58.000 -0.019 0.000 1.256 425 F CB 0.457 39.488 39.000 0.052 0.000 0.996 425 F HN 0.935 nan 8.300 nan 0.000 0.564 426 G N 3.952 112.227 108.800 -0.874 0.000 2.200 426 G HA2 -0.371 3.589 3.960 0.000 0.000 0.267 426 G HA3 -0.371 3.589 3.960 0.000 0.000 0.267 426 G C 0.193 174.872 174.900 -0.368 0.000 0.993 426 G CA 0.512 45.189 45.100 -0.705 0.000 0.701 426 G HN 0.820 nan 8.290 nan 0.000 0.524 427 E N 0.592 120.612 120.200 -0.299 0.000 2.063 427 E HA 0.513 4.864 4.350 0.000 0.000 0.265 427 E C 1.113 177.599 176.600 -0.191 0.000 0.919 427 E CA -0.181 56.117 56.400 -0.171 0.000 0.756 427 E CB 0.089 29.735 29.700 -0.090 0.000 1.120 427 E HN 0.393 nan 8.360 nan 0.000 0.414 428 G N 2.330 111.032 108.800 -0.162 0.000 2.414 428 G HA2 0.182 4.142 3.960 0.000 0.000 0.236 428 G HA3 0.182 4.142 3.960 0.000 0.000 0.236 428 G C -0.296 174.544 174.900 -0.100 0.000 1.293 428 G CA -0.295 44.723 45.100 -0.137 0.000 0.869 428 G HN 0.385 nan 8.290 nan 0.000 0.556 429 V N 5.815 125.670 119.914 -0.098 0.000 2.409 429 V HA 0.356 4.476 4.120 0.000 0.000 0.291 429 V C -1.665 174.398 176.094 -0.052 0.000 1.020 429 V CA -1.465 60.793 62.300 -0.070 0.000 0.848 429 V CB 2.023 33.801 31.823 -0.075 0.000 0.990 429 V HN 0.750 nan 8.190 nan 0.000 0.430 430 P HA 0.285 nan 4.420 nan 0.000 0.269 430 P C -0.064 177.224 177.300 -0.021 0.000 1.215 430 P CA 0.596 63.679 63.100 -0.027 0.000 0.780 430 P CB 1.295 32.982 31.700 -0.022 0.000 0.898 431 V N 0.000 119.904 119.914 -0.016 0.000 2.409 431 V HA 0.000 4.120 4.120 0.000 0.000 0.244 431 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 431 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556