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 1rf6_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLKTNIRHL HGIIRVPGDK SISHRSIIFG SLAEGETKVY DILRGEDVLS DATA SEQUENCE TMQVFRDLGV EIEDKDGVIT VQGVGMAGLK APQNALNMGN SGTSIRLISG DATA SEQUENCE VLAGADFEVE MFGDDSLSKR PMDRVTLPLK KMGVSISGQT ERDLPPLRLK DATA SEQUENCE GTKNLRPIHY ELPIASAQVK SALMFAALQA KGESVIIEKE YTRNHTEDML DATA SEQUENCE QQFGGHLSVD GKKITVQGPQ KLTGQKVVVP GDISSAAFWL VAGLIAPNSR DATA SEQUENCE LVLQNVGINE TRTGIIDVIR AMGGKLEITE IDPVAKSATL IVESSDLKGT DATA SEQUENCE EICGALIPRL IDELPIIALL ATQAQGVTVI KDAEELKVKE TDRIQVVADA DATA SEQUENCE LNSMGADITP TADGMIIKGK SALHGARVNT FGDHRIGMMT AIAALLVADG DATA SEQUENCE EVELDRAEAI NTSYPSFFDD LESLIHG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.263 176.300 -0.062 0.000 1.140 1 M CA 0.000 55.255 55.300 -0.076 0.000 0.988 1 M CB 0.000 32.520 32.600 -0.133 0.000 1.302 2 K N 1.902 122.262 120.400 -0.066 0.000 2.248 2 K HA 0.614 4.934 4.320 0.000 0.000 0.281 2 K C -1.299 175.274 176.600 -0.045 0.000 1.054 2 K CA -0.675 55.588 56.287 -0.040 0.000 0.903 2 K CB 1.128 33.611 32.500 -0.030 0.000 1.077 2 K HN 0.450 nan 8.250 nan 0.000 0.474 3 L N 3.155 124.376 121.223 -0.002 0.000 2.375 3 L HA 0.221 4.561 4.340 0.000 0.000 0.271 3 L C 0.118 177.014 176.870 0.044 0.000 1.107 3 L CA -0.230 54.633 54.840 0.038 0.000 0.806 3 L CB 0.547 42.665 42.059 0.098 0.000 1.146 3 L HN 0.372 nan 8.230 nan 0.000 0.447 4 K N 0.918 121.356 120.400 0.064 0.000 2.451 4 K HA 0.324 4.644 4.320 0.000 0.000 0.280 4 K C -0.204 176.433 176.600 0.062 0.000 1.020 4 K CA 0.232 56.553 56.287 0.055 0.000 1.008 4 K CB 0.206 32.744 32.500 0.063 0.000 0.917 4 K HN 0.611 nan 8.250 nan 0.000 0.478 5 T N 1.693 116.275 114.554 0.047 0.000 2.926 5 T HA 0.237 4.587 4.350 0.000 0.000 0.289 5 T C -0.117 174.609 174.700 0.043 0.000 1.054 5 T CA -1.033 61.095 62.100 0.048 0.000 1.015 5 T CB 0.938 69.832 68.868 0.043 0.000 1.167 5 T HN 0.853 nan 8.240 nan 0.000 0.526 6 N N 0.520 119.246 118.700 0.044 0.000 2.686 6 N HA -0.199 4.542 4.740 0.000 0.000 0.261 6 N C -0.632 174.902 175.510 0.041 0.000 1.001 6 N CA -0.331 52.743 53.050 0.041 0.000 0.764 6 N CB -0.645 37.864 38.487 0.036 0.000 0.898 6 N HN 0.438 nan 8.380 nan 0.000 0.544 7 I N 1.544 122.143 120.570 0.049 0.000 2.588 7 I HA 0.048 4.218 4.170 0.000 0.000 0.283 7 I C 1.505 177.658 176.117 0.059 0.000 1.119 7 I CA -0.065 61.266 61.300 0.051 0.000 1.419 7 I CB 0.930 38.970 38.000 0.067 0.000 1.394 7 I HN 0.226 nan 8.210 nan 0.000 0.562 8 R N 4.732 125.272 120.500 0.067 0.000 2.265 8 R HA 0.213 4.553 4.340 0.000 0.000 0.194 8 R C -0.102 176.275 176.300 0.129 0.000 0.931 8 R CA 0.240 56.386 56.100 0.076 0.000 1.032 8 R CB -0.424 29.917 30.300 0.068 0.000 0.980 8 R HN 0.756 nan 8.270 nan 0.000 0.497 9 H N -0.972 118.116 119.070 0.030 0.000 3.112 9 H HA 0.428 4.985 4.556 0.000 0.000 0.347 9 H C -1.641 173.761 175.328 0.124 0.000 1.188 9 H CA -0.568 55.513 56.048 0.055 0.000 1.240 9 H CB 1.374 31.144 29.762 0.014 0.000 1.920 9 H HN -0.139 nan 8.280 nan 0.000 0.535 10 L N 6.107 127.687 121.223 0.596 0.000 2.406 10 L HA 0.398 4.738 4.340 0.000 0.000 0.272 10 L C -1.194 175.971 176.870 0.491 0.000 0.980 10 L CA -0.776 54.290 54.840 0.378 0.000 0.831 10 L CB 1.523 43.705 42.059 0.204 0.000 1.253 10 L HN 0.698 nan 8.230 nan 0.000 0.406 11 H N 1.801 120.911 119.070 0.066 0.000 3.085 11 H HA 0.849 5.405 4.556 0.000 0.000 0.356 11 H C -0.644 174.654 175.328 -0.050 0.000 1.178 11 H CA -0.755 55.317 56.048 0.039 0.000 1.214 11 H CB 1.997 31.798 29.762 0.065 0.000 1.881 11 H HN 0.723 nan 8.280 nan 0.000 0.538 12 G N 1.091 109.866 108.800 -0.041 0.000 2.368 12 G HA2 0.265 4.225 3.960 0.000 0.000 0.302 12 G HA3 0.265 4.225 3.960 0.000 0.000 0.302 12 G C -1.820 173.025 174.900 -0.092 0.000 1.329 12 G CA -0.785 44.243 45.100 -0.120 0.000 0.935 12 G HN 0.620 nan 8.290 nan 0.000 0.590 13 I N 0.654 121.165 120.570 -0.098 0.000 2.377 13 I HA 0.560 4.730 4.170 0.000 0.000 0.293 13 I C -0.107 175.941 176.117 -0.116 0.000 0.987 13 I CA -0.742 60.511 61.300 -0.078 0.000 1.185 13 I CB 1.631 39.605 38.000 -0.044 0.000 1.341 13 I HN 0.289 nan 8.210 nan 0.000 0.455 14 I N 6.026 126.528 120.570 -0.114 0.000 2.545 14 I HA 0.419 4.589 4.170 0.000 0.000 0.292 14 I C -0.383 175.715 176.117 -0.030 0.000 1.040 14 I CA -0.773 60.451 61.300 -0.127 0.000 1.068 14 I CB 2.125 39.951 38.000 -0.291 0.000 1.251 14 I HN 0.479 nan 8.210 nan 0.000 0.424 15 R N 5.403 125.900 120.500 -0.005 0.000 2.287 15 R HA 0.370 4.710 4.340 0.000 0.000 0.316 15 R C -0.496 175.828 176.300 0.040 0.000 1.050 15 R CA -0.623 55.489 56.100 0.020 0.000 0.983 15 R CB 1.330 31.636 30.300 0.010 0.000 1.140 15 R HN 0.525 nan 8.270 nan 0.000 0.528 16 V N 0.891 120.843 119.914 0.064 0.000 3.032 16 V HA 0.185 4.305 4.120 0.000 0.000 0.307 16 V C -1.475 174.576 176.094 -0.072 0.000 1.097 16 V CA -1.381 60.928 62.300 0.015 0.000 1.191 16 V CB -0.202 31.649 31.823 0.048 0.000 0.964 16 V HN 0.528 nan 8.190 nan 0.000 0.494 17 P HA 0.190 nan 4.420 nan 0.000 0.274 17 P C 0.452 177.693 177.300 -0.100 0.000 1.264 17 P CA 0.260 63.283 63.100 -0.128 0.000 0.795 17 P CB 0.139 31.737 31.700 -0.170 0.000 1.064 18 G N -0.185 108.577 108.800 -0.063 0.000 2.614 18 G HA2 -0.012 3.948 3.960 0.000 0.000 0.239 18 G HA3 -0.012 3.948 3.960 0.000 0.000 0.239 18 G C -0.107 174.760 174.900 -0.056 0.000 1.240 18 G CA -0.278 44.793 45.100 -0.047 0.000 0.842 18 G HN 0.604 nan 8.290 nan 0.000 0.584 19 D N 0.356 120.728 120.400 -0.047 0.000 2.450 19 D HA -0.016 4.624 4.640 0.000 0.000 0.247 19 D C 1.243 177.509 176.300 -0.057 0.000 1.162 19 D CA -0.010 53.959 54.000 -0.052 0.000 0.879 19 D CB 0.819 41.567 40.800 -0.087 0.000 1.163 19 D HN 0.464 nan 8.370 nan 0.000 0.472 20 K N 2.118 122.504 120.400 -0.023 0.000 2.026 20 K HA -0.139 4.181 4.320 0.000 0.000 0.208 20 K C 1.932 178.572 176.600 0.067 0.000 1.048 20 K CA 1.227 57.507 56.287 -0.011 0.000 0.929 20 K CB 0.097 32.632 32.500 0.058 0.000 0.713 20 K HN 0.276 nan 8.250 nan 0.000 0.439 21 S N 0.950 116.703 115.700 0.090 0.000 2.359 21 S HA -0.129 4.341 4.470 0.000 0.000 0.224 21 S C 1.901 176.532 174.600 0.051 0.000 1.035 21 S CA 1.495 59.773 58.200 0.130 0.000 1.018 21 S CB -0.277 62.990 63.200 0.112 0.000 0.876 21 S HN 0.283 nan 8.310 nan 0.000 0.448 22 I N 1.251 121.743 120.570 -0.129 0.000 2.315 22 I HA -0.140 4.030 4.170 0.000 0.000 0.248 22 I C 2.381 178.505 176.117 0.013 0.000 1.117 22 I CA 0.780 62.027 61.300 -0.089 0.000 1.404 22 I CB -0.365 37.534 38.000 -0.168 0.000 1.071 22 I HN 0.211 nan 8.210 nan 0.000 0.419 23 S N -0.387 115.297 115.700 -0.026 0.000 2.356 23 S HA -0.226 4.244 4.470 0.000 0.000 0.223 23 S C 1.880 176.460 174.600 -0.032 0.000 1.032 23 S CA 1.338 59.506 58.200 -0.053 0.000 1.005 23 S CB -0.466 62.654 63.200 -0.132 0.000 0.867 23 S HN 0.498 nan 8.310 nan 0.000 0.449 24 H N 0.965 120.040 119.070 0.008 0.000 2.319 24 H HA -0.011 4.545 4.556 0.000 0.000 0.299 24 H C 2.507 177.834 175.328 -0.003 0.000 1.092 24 H CA 1.699 57.753 56.048 0.009 0.000 1.302 24 H CB 0.028 29.810 29.762 0.032 0.000 1.373 24 H HN 0.214 nan 8.280 nan 0.000 0.497 25 R N 0.150 120.774 120.500 0.206 0.000 2.092 25 R HA -0.119 4.221 4.340 0.000 0.000 0.231 25 R C 2.656 179.066 176.300 0.184 0.000 1.119 25 R CA 1.286 57.522 56.100 0.227 0.000 0.970 25 R CB -0.183 30.360 30.300 0.406 0.000 0.864 25 R HN 0.390 nan 8.270 nan 0.000 0.440 26 S N 0.964 116.745 115.700 0.134 0.000 2.383 26 S HA -0.130 4.340 4.470 0.000 0.000 0.229 26 S C 1.983 176.577 174.600 -0.010 0.000 1.030 26 S CA 1.033 59.303 58.200 0.117 0.000 1.002 26 S CB -0.237 63.026 63.200 0.105 0.000 0.829 26 S HN 0.105 nan 8.310 nan 0.000 0.467 27 I N 1.838 122.345 120.570 -0.105 0.000 2.286 27 I HA 0.009 4.179 4.170 0.000 0.000 0.245 27 I C 2.448 178.201 176.117 -0.608 0.000 1.104 27 I CA 0.721 61.855 61.300 -0.276 0.000 1.397 27 I CB -1.238 36.626 38.000 -0.227 0.000 1.072 27 I HN 0.341 nan 8.210 nan 0.000 0.417 28 I N 0.053 120.259 120.570 -0.607 0.000 2.163 28 I HA -0.298 3.872 4.170 0.000 0.000 0.240 28 I C 2.529 178.227 176.117 -0.699 0.000 1.081 28 I CA 1.540 62.315 61.300 -0.876 0.000 1.353 28 I CB -0.460 37.041 38.000 -0.831 0.000 1.054 28 I HN -0.007 nan 8.210 nan 0.000 0.407 29 F N 0.882 120.526 119.950 -0.510 0.000 2.134 29 F HA -0.147 4.380 4.527 0.000 0.000 0.299 29 F C 2.574 178.048 175.800 -0.543 0.000 1.097 29 F CA 1.455 59.039 58.000 -0.693 0.000 1.264 29 F CB -0.939 37.193 39.000 -1.448 0.000 1.001 29 F HN 0.051 nan 8.300 nan 0.000 0.479 30 G N -1.093 107.600 108.800 -0.179 0.000 2.432 30 G HA2 -0.220 3.740 3.960 0.000 0.000 0.219 30 G HA3 -0.220 3.740 3.960 0.000 0.000 0.219 30 G C 1.773 176.637 174.900 -0.060 0.000 1.135 30 G CA 1.168 46.288 45.100 0.034 0.000 0.767 30 G HN 0.340 nan 8.290 nan 0.000 0.550 31 S N 0.275 115.826 115.700 -0.248 0.000 2.362 31 S HA 0.081 4.551 4.470 0.000 0.000 0.221 31 S C 2.213 176.768 174.600 -0.075 0.000 1.032 31 S CA 0.508 58.587 58.200 -0.202 0.000 0.973 31 S CB -0.172 62.753 63.200 -0.458 0.000 0.849 31 S HN 0.292 nan 8.310 nan 0.000 0.465 32 L N 1.069 122.225 121.223 -0.113 0.000 2.291 32 L HA 0.132 4.472 4.340 0.000 0.000 0.214 32 L C 1.294 178.194 176.870 0.050 0.000 1.120 32 L CA 0.010 54.836 54.840 -0.025 0.000 0.799 32 L CB -0.622 41.396 42.059 -0.069 0.000 0.925 32 L HN 0.191 nan 8.230 nan 0.000 0.446 33 A N 0.380 123.252 122.820 0.087 0.000 2.296 33 A HA 0.265 4.585 4.320 0.000 0.000 0.264 33 A C 0.054 177.712 177.584 0.123 0.000 1.097 33 A CA -0.307 51.830 52.037 0.166 0.000 0.811 33 A CB 0.234 19.429 19.000 0.324 0.000 1.072 33 A HN 0.219 nan 8.150 nan 0.000 0.495 34 E N -0.238 120.034 120.200 0.120 0.000 2.191 34 E HA 0.508 4.858 4.350 0.000 0.000 0.278 34 E C 0.337 176.985 176.600 0.081 0.000 0.972 34 E CA 0.315 56.767 56.400 0.086 0.000 0.804 34 E CB 1.351 31.095 29.700 0.073 0.000 1.110 34 E HN 1.349 nan 8.360 nan 0.000 0.394 35 G N 2.418 111.256 108.800 0.063 0.000 2.631 35 G HA2 -0.223 3.737 3.960 0.000 0.000 0.504 35 G HA3 -0.223 3.737 3.960 0.000 0.000 0.504 35 G C -0.797 174.137 174.900 0.056 0.000 1.306 35 G CA -0.748 44.383 45.100 0.052 0.000 0.897 35 G HN 0.595 nan 8.290 nan 0.000 0.520 36 E N -0.526 119.699 120.200 0.042 0.000 2.249 36 E HA 0.613 4.963 4.350 0.000 0.000 0.280 36 E C -0.297 176.331 176.600 0.047 0.000 1.016 36 E CA -0.232 56.191 56.400 0.039 0.000 0.830 36 E CB 0.877 30.591 29.700 0.024 0.000 1.081 36 E HN 0.484 nan 8.360 nan 0.000 0.395 37 T N 4.181 118.770 114.554 0.058 0.000 2.841 37 T HA 0.411 4.761 4.350 0.000 0.000 0.283 37 T C -1.008 173.707 174.700 0.026 0.000 1.000 37 T CA -0.770 61.377 62.100 0.078 0.000 0.977 37 T CB 1.112 70.094 68.868 0.191 0.000 0.979 37 T HN 0.327 nan 8.240 nan 0.000 0.446 38 K N 2.084 122.491 120.400 0.012 0.000 2.426 38 K HA 0.671 4.991 4.320 0.000 0.000 0.254 38 K C -1.307 175.208 176.600 -0.141 0.000 0.936 38 K CA -0.792 55.429 56.287 -0.111 0.000 0.801 38 K CB 2.355 34.788 32.500 -0.112 0.000 1.139 38 K HN 0.269 nan 8.250 nan 0.000 0.424 39 V N 3.774 123.537 119.914 -0.252 0.000 2.417 39 V HA 0.374 4.494 4.120 0.000 0.000 0.291 39 V C -1.062 174.841 176.094 -0.318 0.000 1.024 39 V CA -0.895 61.321 62.300 -0.141 0.000 0.861 39 V CB 0.545 32.342 31.823 -0.044 0.000 0.985 39 V HN 0.572 nan 8.190 nan 0.000 0.436 40 Y N 2.016 122.317 120.300 0.001 0.000 2.387 40 Y HA 0.441 4.991 4.550 0.000 0.000 0.336 40 Y C 0.844 176.740 175.900 -0.007 0.000 1.067 40 Y CA -1.058 57.039 58.100 -0.004 0.000 1.114 40 Y CB 1.030 39.486 38.460 -0.007 0.000 1.208 40 Y HN 0.767 nan 8.280 nan 0.000 0.458 41 D N 0.766 121.237 120.400 0.118 0.000 2.772 41 D HA -0.257 4.383 4.640 0.000 0.000 0.233 41 D C -0.115 176.199 176.300 0.024 0.000 1.143 41 D CA 0.599 54.636 54.000 0.062 0.000 0.700 41 D CB -0.949 39.891 40.800 0.067 0.000 1.076 41 D HN 0.546 nan 8.370 nan 0.000 0.430 42 I N 0.309 120.880 120.570 0.002 0.000 2.836 42 I HA -0.009 4.161 4.170 0.000 0.000 0.285 42 I C 0.637 176.732 176.117 -0.036 0.000 1.174 42 I CA -0.451 60.834 61.300 -0.024 0.000 1.405 42 I CB 0.524 38.497 38.000 -0.044 0.000 1.385 42 I HN -0.012 nan 8.210 nan 0.000 0.594 43 L N 7.479 128.667 121.223 -0.058 0.000 2.360 43 L HA 0.223 4.563 4.340 0.000 0.000 0.276 43 L C 0.451 177.282 176.870 -0.066 0.000 1.121 43 L CA 0.510 55.311 54.840 -0.065 0.000 0.845 43 L CB 0.387 42.393 42.059 -0.089 0.000 1.143 43 L HN 0.560 nan 8.230 nan 0.000 0.452 44 R N 4.063 124.540 120.500 -0.037 0.000 2.586 44 R HA 0.278 4.618 4.340 0.000 0.000 0.306 44 R C 0.498 176.787 176.300 -0.019 0.000 1.079 44 R CA 0.016 56.099 56.100 -0.028 0.000 1.083 44 R CB 0.244 30.539 30.300 -0.008 0.000 1.306 44 R HN 0.900 nan 8.270 nan 0.000 0.567 45 G N 0.496 109.277 108.800 -0.032 0.000 2.594 45 G HA2 -0.051 3.909 3.960 0.000 0.000 0.243 45 G HA3 -0.051 3.909 3.960 0.000 0.000 0.243 45 G C 0.548 175.423 174.900 -0.041 0.000 1.229 45 G CA -0.450 44.638 45.100 -0.021 0.000 0.843 45 G HN 0.247 nan 8.290 nan 0.000 0.578 46 E N 0.301 120.484 120.200 -0.029 0.000 2.171 46 E HA -0.164 4.186 4.350 0.000 0.000 0.197 46 E C 1.520 178.102 176.600 -0.030 0.000 0.997 46 E CA 1.287 57.671 56.400 -0.026 0.000 0.810 46 E CB 0.084 29.773 29.700 -0.018 0.000 0.738 46 E HN 0.470 nan 8.360 nan 0.000 0.467 47 D N 0.307 120.685 120.400 -0.038 0.000 2.097 47 D HA -0.122 4.518 4.640 0.000 0.000 0.195 47 D C 2.065 178.375 176.300 0.016 0.000 0.989 47 D CA 0.834 54.853 54.000 0.032 0.000 0.827 47 D CB -0.162 40.688 40.800 0.084 0.000 0.966 47 D HN 0.023 nan 8.370 nan 0.000 0.456 48 V N 0.689 120.489 119.914 -0.191 0.000 2.358 48 V HA -0.186 3.934 4.120 0.000 0.000 0.246 48 V C 2.366 178.408 176.094 -0.087 0.000 1.047 48 V CA 0.869 62.995 62.300 -0.290 0.000 1.035 48 V CB -0.334 31.306 31.823 -0.304 0.000 0.658 48 V HN 0.139 nan 8.190 nan 0.000 0.452 49 L N 0.261 121.451 121.223 -0.055 0.000 2.079 49 L HA -0.138 4.202 4.340 0.000 0.000 0.210 49 L C 2.602 179.474 176.870 0.002 0.000 1.081 49 L CA 1.837 56.665 54.840 -0.020 0.000 0.752 49 L CB -1.208 40.841 42.059 -0.017 0.000 0.896 49 L HN 0.288 nan 8.230 nan 0.000 0.433 50 S N -1.631 114.074 115.700 0.007 0.000 2.368 50 S HA -0.217 4.253 4.470 0.000 0.000 0.225 50 S C 2.059 176.682 174.600 0.038 0.000 1.030 50 S CA 1.693 59.896 58.200 0.005 0.000 0.999 50 S CB -0.421 62.774 63.200 -0.008 0.000 0.844 50 S HN 0.588 nan 8.310 nan 0.000 0.459 51 T N 1.791 116.411 114.554 0.110 0.000 2.788 51 T HA -0.025 4.325 4.350 0.000 0.000 0.268 51 T C 1.771 176.620 174.700 0.249 0.000 1.044 51 T CA 1.146 63.366 62.100 0.200 0.000 1.139 51 T CB -0.368 68.702 68.868 0.337 0.000 0.867 51 T HN 0.271 nan 8.240 nan 0.000 0.454 52 M N 0.346 120.031 119.600 0.141 0.000 2.086 52 M HA -0.109 4.371 4.480 0.000 0.000 0.261 52 M C 2.603 178.978 176.300 0.124 0.000 1.067 52 M CA 1.983 57.358 55.300 0.124 0.000 1.116 52 M CB -0.451 32.173 32.600 0.040 0.000 1.348 52 M HN 0.267 nan 8.290 nan 0.000 0.407 53 Q N 0.488 120.326 119.800 0.063 0.000 2.124 53 Q HA -0.104 4.236 4.340 0.000 0.000 0.202 53 Q C 1.761 177.768 176.000 0.012 0.000 0.977 53 Q CA 1.573 57.395 55.803 0.032 0.000 0.850 53 Q CB -0.470 28.272 28.738 0.006 0.000 0.901 53 Q HN 0.365 nan 8.270 nan 0.000 0.429 54 V N 0.106 120.012 119.914 -0.014 0.000 2.287 54 V HA -0.250 3.870 4.120 0.000 0.000 0.248 54 V C 1.868 177.837 176.094 -0.209 0.000 1.053 54 V CA 1.984 64.201 62.300 -0.139 0.000 1.027 54 V CB -0.645 31.038 31.823 -0.232 0.000 0.646 54 V HN 0.338 nan 8.190 nan 0.000 0.447 55 F N -0.054 119.873 119.950 -0.038 0.000 2.259 55 F HA -0.044 4.483 4.527 0.000 0.000 0.298 55 F C 2.538 178.321 175.800 -0.028 0.000 1.088 55 F CA 1.147 59.125 58.000 -0.037 0.000 1.358 55 F CB -0.375 38.596 39.000 -0.048 0.000 1.040 55 F HN -0.019 nan 8.300 nan 0.000 0.505 56 R N 0.260 120.831 120.500 0.118 0.000 2.081 56 R HA -0.150 4.190 4.340 0.000 0.000 0.235 56 R C 1.612 177.920 176.300 0.014 0.000 1.131 56 R CA 1.613 57.748 56.100 0.060 0.000 0.960 56 R CB -0.599 29.724 30.300 0.039 0.000 0.856 56 R HN 0.235 nan 8.270 nan 0.000 0.436 57 D N 0.584 120.975 120.400 -0.016 0.000 2.218 57 D HA -0.110 4.530 4.640 0.000 0.000 0.204 57 D C 1.193 177.449 176.300 -0.073 0.000 0.976 57 D CA 0.951 54.923 54.000 -0.046 0.000 0.853 57 D CB 0.072 40.839 40.800 -0.055 0.000 0.939 57 D HN 0.062 nan 8.370 nan 0.000 0.481 58 L N -0.550 120.628 121.223 -0.074 0.000 2.627 58 L HA 0.264 4.604 4.340 0.000 0.000 0.232 58 L C 1.650 178.506 176.870 -0.023 0.000 1.150 58 L CA 0.326 55.120 54.840 -0.076 0.000 0.917 58 L CB -0.297 41.709 42.059 -0.088 0.000 1.104 58 L HN 0.129 nan 8.230 nan 0.000 0.445 59 G N -1.342 107.451 108.800 -0.012 0.000 2.157 59 G HA2 -0.230 3.730 3.960 0.000 0.000 0.239 59 G HA3 -0.230 3.730 3.960 0.000 0.000 0.239 59 G C 0.256 175.179 174.900 0.039 0.000 0.982 59 G CA 0.093 45.196 45.100 0.005 0.000 0.650 59 G HN 0.120 nan 8.290 nan 0.000 0.527 60 V N 1.079 121.037 119.914 0.074 0.000 2.498 60 V HA 0.447 4.567 4.120 0.000 0.000 0.279 60 V C 0.740 176.869 176.094 0.058 0.000 1.048 60 V CA -0.271 62.080 62.300 0.085 0.000 0.967 60 V CB 1.766 33.679 31.823 0.149 0.000 0.988 60 V HN 0.434 nan 8.190 nan 0.000 0.473 61 E N 5.389 125.611 120.200 0.037 0.000 2.129 61 E HA 0.359 4.709 4.350 0.000 0.000 0.283 61 E C -1.002 175.608 176.600 0.016 0.000 1.080 61 E CA -0.259 56.155 56.400 0.023 0.000 0.867 61 E CB 0.441 30.151 29.700 0.016 0.000 1.056 61 E HN 0.646 nan 8.360 nan 0.000 0.404 62 I N 5.005 125.584 120.570 0.015 0.000 2.448 62 I HA 0.193 4.364 4.170 0.000 0.000 0.281 62 I C -0.293 175.821 176.117 -0.006 0.000 1.027 62 I CA -0.552 60.749 61.300 0.001 0.000 1.111 62 I CB 1.519 39.525 38.000 0.010 0.000 1.236 62 I HN 0.558 nan 8.210 nan 0.000 0.452 63 E N 5.687 125.877 120.200 -0.016 0.000 2.175 63 E HA 0.209 4.559 4.350 0.000 0.000 0.278 63 E C -1.316 175.264 176.600 -0.033 0.000 0.969 63 E CA -0.581 55.807 56.400 -0.019 0.000 0.796 63 E CB 1.746 31.436 29.700 -0.017 0.000 1.104 63 E HN 0.408 nan 8.360 nan 0.000 0.395 64 D N 4.617 125.000 120.400 -0.028 0.000 2.460 64 D HA 0.228 4.868 4.640 0.000 0.000 0.232 64 D C -1.290 174.993 176.300 -0.029 0.000 1.079 64 D CA -0.325 53.654 54.000 -0.036 0.000 0.864 64 D CB 0.522 41.306 40.800 -0.027 0.000 1.048 64 D HN 0.341 nan 8.370 nan 0.000 0.523 65 K N 2.949 123.327 120.400 -0.036 0.000 2.482 65 K HA 0.278 4.598 4.320 0.000 0.000 0.251 65 K C -0.834 175.752 176.600 -0.023 0.000 0.936 65 K CA -0.500 55.773 56.287 -0.024 0.000 0.791 65 K CB 0.965 33.453 32.500 -0.020 0.000 1.213 65 K HN 0.128 nan 8.250 nan 0.000 0.428 66 D N 3.227 123.620 120.400 -0.010 0.000 2.708 66 D HA -0.194 4.446 4.640 0.000 0.000 0.236 66 D C 0.653 176.952 176.300 -0.002 0.000 1.146 66 D CA 1.846 55.845 54.000 -0.001 0.000 0.662 66 D CB -1.247 39.556 40.800 0.005 0.000 1.059 66 D HN 1.101 nan 8.370 nan 0.000 0.428 67 G N -2.248 106.545 108.800 -0.011 0.000 2.184 67 G HA2 -0.300 3.660 3.960 0.000 0.000 0.264 67 G HA3 -0.300 3.660 3.960 0.000 0.000 0.264 67 G C 0.326 175.197 174.900 -0.048 0.000 0.975 67 G CA 0.414 45.506 45.100 -0.013 0.000 0.642 67 G HN 0.640 nan 8.290 nan 0.000 0.536 68 V N 2.222 122.084 119.914 -0.088 0.000 2.495 68 V HA 0.590 4.710 4.120 0.000 0.000 0.298 68 V C 0.331 176.318 176.094 -0.179 0.000 1.031 68 V CA -1.161 61.016 62.300 -0.206 0.000 0.871 68 V CB 1.863 33.527 31.823 -0.266 0.000 0.988 68 V HN 0.211 nan 8.190 nan 0.000 0.432 69 I N 3.559 124.003 120.570 -0.209 0.000 2.331 69 I HA 0.396 4.567 4.170 0.000 0.000 0.292 69 I C 0.315 176.344 176.117 -0.146 0.000 0.998 69 I CA 0.155 61.373 61.300 -0.138 0.000 1.267 69 I CB 1.273 39.209 38.000 -0.106 0.000 1.386 69 I HN 0.567 nan 8.210 nan 0.000 0.476 70 T N 6.048 120.545 114.554 -0.093 0.000 2.815 70 T HA 0.496 4.846 4.350 0.000 0.000 0.289 70 T C -0.071 174.608 174.700 -0.035 0.000 1.000 70 T CA -0.421 61.638 62.100 -0.068 0.000 0.958 70 T CB 1.734 70.569 68.868 -0.055 0.000 0.944 70 T HN 0.219 nan 8.240 nan 0.000 0.442 71 V N 4.137 124.039 119.914 -0.021 0.000 2.483 71 V HA 0.397 4.517 4.120 0.000 0.000 0.295 71 V C -0.229 175.871 176.094 0.010 0.000 1.035 71 V CA -0.961 61.333 62.300 -0.010 0.000 0.896 71 V CB 1.777 33.586 31.823 -0.023 0.000 0.986 71 V HN 0.686 nan 8.190 nan 0.000 0.447 72 Q N 3.244 123.052 119.800 0.013 0.000 2.456 72 Q HA 0.346 4.686 4.340 0.000 0.000 0.234 72 Q C 0.549 176.568 176.000 0.030 0.000 1.061 72 Q CA -0.101 55.716 55.803 0.023 0.000 0.896 72 Q CB 1.292 30.042 28.738 0.021 0.000 1.233 72 Q HN 0.941 nan 8.270 nan 0.000 0.506 73 G N 0.715 109.540 108.800 0.042 0.000 2.474 73 G HA2 0.185 4.145 3.960 0.000 0.000 0.233 73 G HA3 0.185 4.145 3.960 0.000 0.000 0.233 73 G C 0.788 175.717 174.900 0.048 0.000 1.278 73 G CA -0.097 45.032 45.100 0.048 0.000 0.861 73 G HN 0.505 nan 8.290 nan 0.000 0.567 74 V N -0.069 119.876 119.914 0.051 0.000 3.380 74 V HA 0.654 4.774 4.120 0.000 0.000 0.307 74 V C 1.011 177.140 176.094 0.059 0.000 1.434 74 V CA 0.393 62.726 62.300 0.056 0.000 1.075 74 V CB -0.772 31.090 31.823 0.064 0.000 0.954 74 V HN 2.228 nan 8.190 nan 0.000 0.444 75 G N 0.542 109.379 108.800 0.061 0.000 2.730 75 G HA2 -0.193 3.767 3.960 0.000 0.000 0.686 75 G HA3 -0.193 3.767 3.960 0.000 0.000 0.686 75 G C -0.164 174.773 174.900 0.061 0.000 1.343 75 G CA 0.036 45.174 45.100 0.063 0.000 0.826 75 G HN 0.496 nan 8.290 nan 0.000 0.582 76 M N 0.897 120.534 119.600 0.062 0.000 2.346 76 M HA 0.205 4.685 4.480 0.000 0.000 0.263 76 M C 2.035 178.361 176.300 0.045 0.000 1.064 76 M CA 3.088 58.421 55.300 0.055 0.000 1.083 76 M CB -0.250 32.387 32.600 0.061 0.000 1.399 76 M HN 1.812 nan 8.290 nan 0.000 0.435 77 A N -1.486 121.363 122.820 0.048 0.000 2.674 77 A HA 0.651 4.971 4.320 0.000 0.000 0.286 77 A C 1.191 178.814 177.584 0.066 0.000 0.980 77 A CA -0.006 52.058 52.037 0.045 0.000 1.028 77 A CB -0.804 18.217 19.000 0.034 0.000 1.199 77 A HN 0.453 nan 8.150 nan 0.000 0.499 78 G N -0.289 108.557 108.800 0.076 0.000 3.233 78 G HA2 0.389 4.349 3.960 0.000 0.000 0.234 78 G HA3 0.389 4.349 3.960 0.000 0.000 0.234 78 G C 0.411 175.376 174.900 0.108 0.000 1.137 78 G CA -0.097 45.053 45.100 0.083 0.000 0.763 78 G HN 0.408 nan 8.290 nan 0.000 0.549 79 L N 1.170 122.480 121.223 0.144 0.000 2.426 79 L HA 0.334 4.674 4.340 0.000 0.000 0.271 79 L C 0.113 177.129 176.870 0.242 0.000 1.169 79 L CA -0.186 54.766 54.840 0.186 0.000 0.836 79 L CB 0.888 43.077 42.059 0.217 0.000 1.112 79 L HN -0.083 nan 8.230 nan 0.000 0.465 80 K N 1.915 122.353 120.400 0.063 0.000 2.208 80 K HA 0.559 4.879 4.320 0.000 0.000 0.247 80 K C -0.480 175.701 176.600 -0.698 0.000 0.953 80 K CA -0.760 55.423 56.287 -0.173 0.000 0.837 80 K CB 1.924 34.350 32.500 -0.124 0.000 1.131 80 K HN 0.615 nan 8.250 nan 0.000 0.431 81 A N 3.937 126.003 122.820 -1.256 0.000 2.548 81 A HA 0.194 4.514 4.320 0.000 0.000 0.247 81 A C -1.757 175.483 177.584 -0.574 0.000 1.067 81 A CA -0.606 50.582 52.037 -1.415 0.000 0.757 81 A CB -0.773 17.660 19.000 -0.945 0.000 0.996 81 A HN 0.381 nan 8.150 nan 0.000 0.504 82 P HA 0.084 nan 4.420 nan 0.000 0.274 82 P C 0.320 177.537 177.300 -0.139 0.000 1.237 82 P CA -0.276 62.708 63.100 -0.194 0.000 0.793 82 P CB 0.785 32.412 31.700 -0.122 0.000 0.977 83 Q N 1.497 121.242 119.800 -0.092 0.000 2.187 83 Q HA -0.005 4.335 4.340 0.000 0.000 0.199 83 Q C -0.044 175.931 176.000 -0.042 0.000 0.957 83 Q CA 1.258 57.023 55.803 -0.065 0.000 0.857 83 Q CB -0.308 28.401 28.738 -0.049 0.000 0.929 83 Q HN 0.531 nan 8.270 nan 0.000 0.453 84 N N -0.431 118.253 118.700 -0.026 0.000 2.761 84 N HA 0.599 5.339 4.740 0.000 0.000 0.283 84 N C -1.375 174.154 175.510 0.031 0.000 1.377 84 N CA -0.480 52.569 53.050 -0.001 0.000 0.791 84 N CB 1.417 39.910 38.487 0.011 0.000 1.540 84 N HN 0.229 nan 8.380 nan 0.000 0.539 85 A N 0.657 123.516 122.820 0.065 0.000 2.483 85 A HA 0.225 4.545 4.320 0.000 0.000 0.238 85 A C -0.194 177.543 177.584 0.255 0.000 1.070 85 A CA 0.076 52.207 52.037 0.158 0.000 0.770 85 A CB -0.323 18.762 19.000 0.142 0.000 1.008 85 A HN 0.494 nan 8.150 nan 0.000 0.497 86 L N 2.510 123.838 121.223 0.175 0.000 2.313 86 L HA 0.165 4.505 4.340 0.000 0.000 0.282 86 L C 0.541 177.315 176.870 -0.160 0.000 1.092 86 L CA -0.506 54.347 54.840 0.023 0.000 0.831 86 L CB 0.353 42.375 42.059 -0.061 0.000 1.159 86 L HN 0.703 nan 8.230 nan 0.000 0.442 87 N N 4.418 122.932 118.700 -0.310 0.000 2.439 87 N HA 0.126 4.866 4.740 0.000 0.000 0.243 87 N C 0.549 175.754 175.510 -0.508 0.000 1.088 87 N CA -0.277 52.279 53.050 -0.823 0.000 0.940 87 N CB 0.990 39.225 38.487 -0.419 0.000 1.180 87 N HN 0.558 nan 8.380 nan 0.000 0.505 88 M N 1.783 121.064 119.600 -0.532 0.000 2.595 88 M HA 0.119 4.599 4.480 0.000 0.000 0.248 88 M C 1.463 177.640 176.300 -0.205 0.000 1.119 88 M CA 0.230 55.365 55.300 -0.275 0.000 1.079 88 M CB -1.454 31.020 32.600 -0.209 0.000 1.472 88 M HN 0.645 nan 8.290 nan 0.000 0.501 89 G N 2.160 110.802 108.800 -0.262 0.000 2.591 89 G HA2 -0.398 3.562 3.960 0.000 0.000 0.298 89 G HA3 -0.398 3.562 3.960 0.000 0.000 0.298 89 G C 0.566 175.420 174.900 -0.077 0.000 1.195 89 G CA 0.857 45.873 45.100 -0.139 0.000 0.989 89 G HN 0.484 nan 8.290 nan 0.000 0.551 90 N N 0.381 119.056 118.700 -0.041 0.000 2.230 90 N HA 0.315 5.055 4.740 0.000 0.000 0.202 90 N C 0.563 176.065 175.510 -0.013 0.000 1.119 90 N CA 1.197 54.238 53.050 -0.015 0.000 0.851 90 N CB 0.325 38.808 38.487 -0.007 0.000 0.990 90 N HN 0.595 nan 8.380 nan 0.000 0.497 91 S N -0.873 114.813 115.700 -0.023 0.000 2.399 91 S HA 0.406 4.876 4.470 0.000 0.000 0.301 91 S C 1.310 175.878 174.600 -0.053 0.000 1.093 91 S CA -0.466 57.724 58.200 -0.017 0.000 1.077 91 S CB 0.453 63.672 63.200 0.032 0.000 0.980 91 S HN 0.427 nan 8.310 nan 0.000 0.494 92 G N 3.406 112.183 108.800 -0.039 0.000 2.394 92 G HA2 -0.125 3.835 3.960 0.000 0.000 0.215 92 G HA3 -0.125 3.835 3.960 0.000 0.000 0.215 92 G C 1.326 176.175 174.900 -0.085 0.000 1.165 92 G CA 1.052 46.127 45.100 -0.043 0.000 0.784 92 G HN 0.676 nan 8.290 nan 0.000 0.535 93 T N 1.426 115.897 114.554 -0.138 0.000 2.699 93 T HA -0.150 4.200 4.350 0.000 0.000 0.268 93 T C 2.820 177.350 174.700 -0.283 0.000 1.036 93 T CA 1.650 63.610 62.100 -0.233 0.000 1.147 93 T CB -0.260 68.348 68.868 -0.432 0.000 0.862 93 T HN 0.261 nan 8.240 nan 0.000 0.446 94 S N 0.859 116.372 115.700 -0.313 0.000 2.343 94 S HA 0.015 4.485 4.470 0.000 0.000 0.219 94 S C 2.011 176.540 174.600 -0.119 0.000 1.033 94 S CA 0.993 59.081 58.200 -0.186 0.000 1.014 94 S CB -0.449 62.701 63.200 -0.085 0.000 0.915 94 S HN 0.465 nan 8.310 nan 0.000 0.435 95 I N 0.768 121.276 120.570 -0.104 0.000 2.315 95 I HA -0.195 3.975 4.170 0.000 0.000 0.248 95 I C 2.509 178.587 176.117 -0.066 0.000 1.117 95 I CA 1.258 62.507 61.300 -0.085 0.000 1.404 95 I CB -0.003 37.955 38.000 -0.071 0.000 1.071 95 I HN 0.121 nan 8.210 nan 0.000 0.419 96 R N 0.539 121.004 120.500 -0.057 0.000 2.061 96 R HA -0.100 4.240 4.340 0.000 0.000 0.230 96 R C 2.225 178.516 176.300 -0.015 0.000 1.140 96 R CA 1.767 57.847 56.100 -0.032 0.000 0.940 96 R CB -0.477 29.810 30.300 -0.022 0.000 0.839 96 R HN 0.318 nan 8.270 nan 0.000 0.429 97 L N 0.038 121.254 121.223 -0.010 0.000 2.017 97 L HA -0.170 4.170 4.340 0.000 0.000 0.208 97 L C 2.374 179.226 176.870 -0.030 0.000 1.073 97 L CA 1.469 56.339 54.840 0.050 0.000 0.745 97 L CB -0.574 41.525 42.059 0.068 0.000 0.894 97 L HN 0.275 nan 8.230 nan 0.000 0.432 98 I N -0.517 120.001 120.570 -0.086 0.000 2.361 98 I HA -0.248 3.922 4.170 0.000 0.000 0.251 98 I C 2.614 178.665 176.117 -0.110 0.000 1.133 98 I CA 0.844 62.065 61.300 -0.132 0.000 1.413 98 I CB -0.217 37.676 38.000 -0.178 0.000 1.073 98 I HN 0.185 nan 8.210 nan 0.000 0.424 99 S N 0.751 116.406 115.700 -0.074 0.000 2.383 99 S HA -0.136 4.334 4.470 0.000 0.000 0.229 99 S C 2.095 176.665 174.600 -0.050 0.000 1.030 99 S CA 1.479 59.642 58.200 -0.062 0.000 1.002 99 S CB -0.536 62.635 63.200 -0.047 0.000 0.829 99 S HN 0.661 nan 8.310 nan 0.000 0.467 100 G N 0.791 109.583 108.800 -0.014 0.000 2.403 100 G HA2 -0.092 3.868 3.960 0.000 0.000 0.216 100 G HA3 -0.092 3.868 3.960 0.000 0.000 0.216 100 G C 1.426 176.335 174.900 0.016 0.000 1.154 100 G CA 0.624 45.739 45.100 0.024 0.000 0.784 100 G HN 0.410 nan 8.290 nan 0.000 0.538 101 V N 1.038 120.925 119.914 -0.045 0.000 2.392 101 V HA -0.089 4.031 4.120 0.000 0.000 0.249 101 V C 2.589 178.631 176.094 -0.086 0.000 1.059 101 V CA 1.268 63.500 62.300 -0.113 0.000 1.051 101 V CB -0.282 31.413 31.823 -0.214 0.000 0.658 101 V HN 0.336 nan 8.190 nan 0.000 0.455 102 L N -0.009 121.151 121.223 -0.105 0.000 2.627 102 L HA 0.141 4.481 4.340 0.000 0.000 0.233 102 L C 2.411 179.188 176.870 -0.156 0.000 1.144 102 L CA 0.449 55.205 54.840 -0.141 0.000 0.892 102 L CB -0.669 41.307 42.059 -0.139 0.000 1.039 102 L HN 0.310 nan 8.230 nan 0.000 0.442 103 A N 0.669 123.428 122.820 -0.102 0.000 1.986 103 A HA -0.166 4.154 4.320 0.000 0.000 0.220 103 A C 2.191 179.707 177.584 -0.114 0.000 1.171 103 A CA 1.933 53.914 52.037 -0.093 0.000 0.640 103 A CB -0.697 18.271 19.000 -0.054 0.000 0.811 103 A HN 0.454 nan 8.150 nan 0.000 0.451 104 G N -1.501 107.229 108.800 -0.117 0.000 3.088 104 G HA2 0.423 4.383 3.960 0.000 0.000 0.217 104 G HA3 0.423 4.383 3.960 0.000 0.000 0.217 104 G C 0.514 175.294 174.900 -0.201 0.000 1.159 104 G CA 0.538 45.566 45.100 -0.120 0.000 0.760 104 G HN 0.772 nan 8.290 nan 0.000 0.550 105 A N 0.881 123.492 122.820 -0.347 0.000 2.451 105 A HA 0.380 4.700 4.320 0.000 0.000 0.266 105 A C 0.132 177.275 177.584 -0.735 0.000 1.119 105 A CA -0.256 51.353 52.037 -0.714 0.000 0.786 105 A CB 0.343 18.609 19.000 -1.224 0.000 1.061 105 A HN 0.074 nan 8.150 nan 0.000 0.503 106 D N 3.065 123.171 120.400 -0.490 0.000 2.934 106 D HA 0.387 5.027 4.640 0.000 0.000 0.237 106 D C -0.769 175.490 176.300 -0.070 0.000 1.158 106 D CA 0.313 54.187 54.000 -0.211 0.000 0.971 106 D CB -0.960 39.815 40.800 -0.043 0.000 1.123 106 D HN 0.361 nan 8.370 nan 0.000 0.467 107 F N -1.756 118.184 119.950 -0.017 0.000 2.770 107 F HA 0.452 4.979 4.527 0.000 0.000 0.313 107 F C -0.796 174.991 175.800 -0.022 0.000 1.154 107 F CA -1.473 56.516 58.000 -0.018 0.000 0.923 107 F CB 0.722 39.711 39.000 -0.019 0.000 1.301 107 F HN -0.193 nan 8.300 nan 0.000 0.449 108 E N 1.434 121.811 120.200 0.295 0.000 2.231 108 E HA 0.674 5.024 4.350 0.000 0.000 0.277 108 E C -1.300 175.426 176.600 0.211 0.000 0.999 108 E CA -0.956 55.548 56.400 0.174 0.000 0.827 108 E CB 1.939 31.692 29.700 0.088 0.000 1.101 108 E HN 0.842 nan 8.360 nan 0.000 0.393 109 V N 0.655 120.657 119.914 0.145 0.000 3.078 109 V HA 0.612 4.732 4.120 0.000 0.000 0.311 109 V C -0.869 175.264 176.094 0.065 0.000 1.138 109 V CA -0.922 61.446 62.300 0.113 0.000 1.007 109 V CB 1.887 33.792 31.823 0.136 0.000 1.045 109 V HN 0.731 nan 8.190 nan 0.000 0.432 110 E N 2.618 122.856 120.200 0.064 0.000 2.199 110 E HA 0.635 4.985 4.350 0.000 0.000 0.269 110 E C -1.638 175.032 176.600 0.116 0.000 0.899 110 E CA -0.829 55.615 56.400 0.074 0.000 0.772 110 E CB 2.072 31.808 29.700 0.061 0.000 1.155 110 E HN 0.867 nan 8.360 nan 0.000 0.408 111 M N 4.716 124.386 119.600 0.117 0.000 2.259 111 M HA 0.399 4.879 4.480 0.000 0.000 0.304 111 M C -0.905 175.506 176.300 0.184 0.000 1.019 111 M CA -0.939 54.426 55.300 0.107 0.000 0.922 111 M CB 1.309 33.913 32.600 0.006 0.000 1.600 111 M HN 0.372 nan 8.290 nan 0.000 0.433 112 F N 0.369 120.306 119.950 -0.020 0.000 2.640 112 F HA 1.070 5.597 4.527 0.000 0.000 0.324 112 F C -0.362 175.432 175.800 -0.010 0.000 1.077 112 F CA -0.944 57.048 58.000 -0.013 0.000 0.965 112 F CB 1.295 40.289 39.000 -0.010 0.000 1.351 112 F HN 0.564 nan 8.300 nan 0.000 0.487 113 G N -0.182 108.622 108.800 0.006 0.000 2.827 113 G HA2 0.487 4.447 3.960 0.000 0.000 0.296 113 G HA3 0.487 4.447 3.960 0.000 0.000 0.296 113 G C -1.871 173.069 174.900 0.067 0.000 1.362 113 G CA -0.520 44.522 45.100 -0.097 0.000 0.809 113 G HN 0.916 nan 8.290 nan 0.000 0.522 114 D N -1.146 119.273 120.400 0.032 0.000 2.398 114 D HA 0.174 4.814 4.640 0.000 0.000 0.264 114 D C 1.198 177.540 176.300 0.069 0.000 1.263 114 D CA 0.231 54.272 54.000 0.068 0.000 1.037 114 D CB 0.266 41.094 40.800 0.046 0.000 1.101 114 D HN 0.355 nan 8.370 nan 0.000 0.551 115 D N -0.990 119.451 120.400 0.068 0.000 2.149 115 D HA -0.237 4.403 4.640 0.000 0.000 0.198 115 D C 1.770 178.103 176.300 0.055 0.000 0.990 115 D CA 1.949 55.986 54.000 0.062 0.000 0.839 115 D CB -0.762 40.077 40.800 0.065 0.000 0.948 115 D HN 0.284 nan 8.370 nan 0.000 0.460 116 S N -0.595 115.140 115.700 0.058 0.000 2.345 116 S HA -0.085 4.385 4.470 0.000 0.000 0.219 116 S C 1.841 176.466 174.600 0.041 0.000 1.031 116 S CA 0.664 58.898 58.200 0.055 0.000 0.984 116 S CB -0.531 62.711 63.200 0.070 0.000 0.874 116 S HN 0.218 nan 8.310 nan 0.000 0.451 117 L N 2.013 123.257 121.223 0.034 0.000 2.083 117 L HA 0.089 4.429 4.340 0.000 0.000 0.209 117 L C 2.285 179.169 176.870 0.024 0.000 1.083 117 L CA 1.902 56.755 54.840 0.021 0.000 0.752 117 L CB -1.017 41.043 42.059 0.002 0.000 0.899 117 L HN 0.274 nan 8.230 nan 0.000 0.433 118 S N -0.758 114.964 115.700 0.036 0.000 2.500 118 S HA -0.118 4.352 4.470 0.000 0.000 0.239 118 S C 1.581 176.198 174.600 0.029 0.000 0.989 118 S CA 0.932 59.157 58.200 0.041 0.000 0.951 118 S CB -0.262 62.971 63.200 0.056 0.000 0.759 118 S HN 0.481 nan 8.310 nan 0.000 0.523 119 K N 0.416 120.830 120.400 0.023 0.000 2.358 119 K HA 0.186 4.506 4.320 0.000 0.000 0.197 119 K C 0.120 176.726 176.600 0.010 0.000 1.025 119 K CA 0.025 56.321 56.287 0.014 0.000 1.104 119 K CB 0.495 33.000 32.500 0.009 0.000 0.855 119 K HN 0.182 nan 8.250 nan 0.000 0.531 120 R N 1.913 122.421 120.500 0.013 0.000 2.474 120 R HA 0.240 4.581 4.340 0.000 0.000 0.295 120 R C -2.573 173.732 176.300 0.008 0.000 0.980 120 R CA -2.106 54.000 56.100 0.010 0.000 0.934 120 R CB 0.740 31.048 30.300 0.013 0.000 1.101 120 R HN -0.070 nan 8.270 nan 0.000 0.469 121 P HA 0.023 nan 4.420 nan 0.000 0.271 121 P C -0.287 177.015 177.300 0.004 0.000 1.216 121 P CA 0.082 63.185 63.100 0.006 0.000 0.771 121 P CB 0.903 32.607 31.700 0.007 0.000 0.864 122 M N 1.628 121.228 119.600 0.001 0.000 2.306 122 M HA 0.033 4.513 4.480 0.000 0.000 0.292 122 M C 0.983 177.278 176.300 -0.009 0.000 1.018 122 M CA 0.287 55.584 55.300 -0.005 0.000 1.007 122 M CB -0.749 31.846 32.600 -0.008 0.000 1.510 122 M HN 0.296 nan 8.290 nan 0.000 0.537 123 D N 1.482 121.880 120.400 -0.003 0.000 2.182 123 D HA -0.226 4.414 4.640 0.000 0.000 0.201 123 D C 1.711 178.010 176.300 -0.003 0.000 0.986 123 D CA 1.209 55.208 54.000 -0.003 0.000 0.847 123 D CB -0.694 40.110 40.800 0.006 0.000 0.942 123 D HN 0.508 nan 8.370 nan 0.000 0.467 124 R N 1.010 121.515 120.500 0.008 0.000 2.200 124 R HA -0.094 4.246 4.340 0.000 0.000 0.234 124 R C 1.947 178.237 176.300 -0.017 0.000 1.127 124 R CA 1.723 57.836 56.100 0.022 0.000 0.989 124 R CB -0.720 29.600 30.300 0.032 0.000 0.869 124 R HN 0.424 nan 8.270 nan 0.000 0.459 125 V N -2.061 117.829 119.914 -0.039 0.000 3.455 125 V HA 0.048 4.168 4.120 0.000 0.000 0.250 125 V C 2.320 178.356 176.094 -0.096 0.000 1.230 125 V CA 0.614 62.869 62.300 -0.075 0.000 1.105 125 V CB 0.109 31.904 31.823 -0.046 0.000 0.850 125 V HN 0.358 nan 8.190 nan 0.000 0.461 126 T N -0.282 114.232 114.554 -0.066 0.000 2.821 126 T HA -0.167 4.183 4.350 0.000 0.000 0.267 126 T C 1.894 176.544 174.700 -0.083 0.000 1.046 126 T CA 1.913 63.975 62.100 -0.063 0.000 1.139 126 T CB -0.551 68.295 68.868 -0.038 0.000 0.871 126 T HN 0.408 nan 8.240 nan 0.000 0.454 127 L N 3.345 124.516 121.223 -0.087 0.000 1.989 127 L HA 0.078 4.418 4.340 0.000 0.000 0.211 127 L C -0.462 176.297 176.870 -0.185 0.000 1.071 127 L CA 1.944 56.729 54.840 -0.091 0.000 0.749 127 L CB -1.272 40.766 42.059 -0.034 0.000 0.890 127 L HN 0.162 nan 8.230 nan 0.000 0.431 128 P HA -0.141 nan 4.420 nan 0.000 0.217 128 P C 2.182 179.317 177.300 -0.275 0.000 1.154 128 P CA 1.473 64.238 63.100 -0.558 0.000 0.841 128 P CB -0.027 30.982 31.700 -1.152 0.000 0.788 129 L N -0.638 120.462 121.223 -0.205 0.000 2.191 129 L HA -0.134 4.206 4.340 0.000 0.000 0.212 129 L C 2.750 179.565 176.870 -0.091 0.000 1.103 129 L CA 1.292 56.057 54.840 -0.124 0.000 0.769 129 L CB -0.765 41.236 42.059 -0.097 0.000 0.908 129 L HN -0.047 nan 8.230 nan 0.000 0.438 130 K N 0.783 121.129 120.400 -0.089 0.000 2.097 130 K HA -0.153 4.167 4.320 0.000 0.000 0.206 130 K C 1.979 178.552 176.600 -0.045 0.000 1.049 130 K CA 1.371 57.623 56.287 -0.057 0.000 0.933 130 K CB 0.004 32.476 32.500 -0.048 0.000 0.717 130 K HN 0.115 nan 8.250 nan 0.000 0.442 131 K N -0.290 120.079 120.400 -0.052 0.000 2.152 131 K HA -0.107 4.214 4.320 0.000 0.000 0.206 131 K C 1.819 178.412 176.600 -0.011 0.000 1.048 131 K CA 1.631 57.906 56.287 -0.020 0.000 0.933 131 K CB -0.129 32.367 32.500 -0.007 0.000 0.721 131 K HN 0.238 nan 8.250 nan 0.000 0.447 132 M N -0.800 118.782 119.600 -0.030 0.000 2.619 132 M HA 0.052 4.532 4.480 0.000 0.000 0.251 132 M C 0.930 177.217 176.300 -0.021 0.000 1.106 132 M CA 0.880 56.167 55.300 -0.021 0.000 1.086 132 M CB 0.576 33.155 32.600 -0.035 0.000 1.465 132 M HN 0.419 nan 8.290 nan 0.000 0.506 133 G N 0.478 109.262 108.800 -0.026 0.000 2.148 133 G HA2 -0.159 3.801 3.960 0.000 0.000 0.203 133 G HA3 -0.159 3.801 3.960 0.000 0.000 0.203 133 G C -0.087 174.791 174.900 -0.036 0.000 0.993 133 G CA -0.495 44.590 45.100 -0.025 0.000 0.661 133 G HN 0.263 nan 8.290 nan 0.000 0.518 134 V N 1.557 121.444 119.914 -0.045 0.000 2.498 134 V HA 0.566 4.686 4.120 0.000 0.000 0.279 134 V C 0.807 176.873 176.094 -0.046 0.000 1.048 134 V CA -0.064 62.204 62.300 -0.054 0.000 0.967 134 V CB 1.675 33.460 31.823 -0.063 0.000 0.988 134 V HN 0.319 nan 8.190 nan 0.000 0.473 135 S N 6.480 122.154 115.700 -0.044 0.000 2.439 135 S HA 0.679 5.149 4.470 0.000 0.000 0.282 135 S C -0.290 174.291 174.600 -0.032 0.000 1.170 135 S CA -0.251 57.929 58.200 -0.033 0.000 1.054 135 S CB -0.138 63.047 63.200 -0.026 0.000 0.956 135 S HN 0.552 nan 8.310 nan 0.000 0.490 136 I N 1.774 122.327 120.570 -0.029 0.000 2.692 136 I HA 0.655 4.825 4.170 0.000 0.000 0.293 136 I C -0.505 175.601 176.117 -0.019 0.000 1.200 136 I CA -0.729 60.556 61.300 -0.026 0.000 1.036 136 I CB 2.373 40.352 38.000 -0.035 0.000 1.258 136 I HN 0.583 nan 8.210 nan 0.000 0.421 137 S N 2.489 118.182 115.700 -0.012 0.000 2.537 137 S HA 0.909 5.379 4.470 0.000 0.000 0.271 137 S C -0.676 173.923 174.600 -0.001 0.000 1.148 137 S CA -0.318 57.878 58.200 -0.007 0.000 0.868 137 S CB 1.907 65.104 63.200 -0.005 0.000 1.115 137 S HN 1.067 nan 8.310 nan 0.000 0.461 138 G N 0.628 109.428 108.800 0.001 0.000 3.264 138 G HA2 0.634 4.594 3.960 0.000 0.000 0.168 138 G HA3 0.634 4.594 3.960 0.000 0.000 0.168 138 G C -1.448 173.456 174.900 0.006 0.000 1.145 138 G CA -0.616 44.488 45.100 0.007 0.000 0.855 138 G HN 0.661 nan 8.290 nan 0.000 0.629 139 Q N 0.763 120.568 119.800 0.009 0.000 2.256 139 Q HA 0.586 4.926 4.340 0.000 0.000 0.257 139 Q C -0.028 175.976 176.000 0.005 0.000 0.936 139 Q CA -0.135 55.672 55.803 0.007 0.000 0.903 139 Q CB 1.118 29.862 28.738 0.010 0.000 1.263 139 Q HN 0.721 nan 8.270 nan 0.000 0.440 140 T N 1.488 116.044 114.554 0.003 0.000 0.541 140 T HA -0.168 4.182 4.350 0.000 0.000 0.774 140 T C 0.791 175.492 174.700 0.002 0.000 0.992 140 T CA 0.778 62.880 62.100 0.003 0.000 4.077 140 T CB -0.440 68.430 68.868 0.003 0.000 2.303 140 T HN 0.725 nan 8.240 nan 0.000 0.398 141 E N 0.470 120.671 120.200 0.002 0.000 2.338 141 E HA -0.056 4.294 4.350 0.000 0.000 0.197 141 E C 2.057 178.659 176.600 0.003 0.000 1.007 141 E CA 1.117 57.518 56.400 0.003 0.000 0.849 141 E CB -0.093 29.609 29.700 0.003 0.000 0.774 141 E HN 0.445 nan 8.360 nan 0.000 0.506 142 R N 0.670 121.172 120.500 0.004 0.000 2.310 142 R HA 0.028 4.368 4.340 0.000 0.000 0.202 142 R C -0.326 175.976 176.300 0.003 0.000 0.933 142 R CA 0.172 56.274 56.100 0.004 0.000 1.054 142 R CB 0.036 30.338 30.300 0.005 0.000 0.985 142 R HN -0.014 nan 8.270 nan 0.000 0.489 143 D N 1.150 121.551 120.400 0.003 0.000 2.737 143 D HA -0.143 4.497 4.640 0.000 0.000 0.238 143 D C -1.004 175.299 176.300 0.005 0.000 1.157 143 D CA 0.832 54.833 54.000 0.002 0.000 0.694 143 D CB -0.830 39.968 40.800 -0.003 0.000 1.021 143 D HN 0.017 nan 8.370 nan 0.000 0.420 144 L N 0.265 121.493 121.223 0.008 0.000 2.436 144 L HA 0.383 4.723 4.340 0.000 0.000 0.265 144 L C -1.576 175.305 176.870 0.019 0.000 1.168 144 L CA -1.236 53.612 54.840 0.012 0.000 0.815 144 L CB -0.119 41.947 42.059 0.013 0.000 1.109 144 L HN -0.083 nan 8.230 nan 0.000 0.462 145 P HA 0.112 nan 4.420 nan 0.000 0.270 145 P C -2.506 174.826 177.300 0.054 0.000 1.223 145 P CA -0.871 62.255 63.100 0.043 0.000 0.785 145 P CB -0.149 31.578 31.700 0.046 0.000 0.923 146 P HA 0.150 nan 4.420 nan 0.000 0.272 146 P C -1.059 176.274 177.300 0.055 0.000 1.223 146 P CA 0.199 63.355 63.100 0.092 0.000 0.784 146 P CB 0.469 32.228 31.700 0.099 0.000 0.923 147 L N 2.461 123.717 121.223 0.056 0.000 2.330 147 L HA 0.514 4.854 4.340 0.000 0.000 0.271 147 L C 0.912 177.799 176.870 0.030 0.000 1.013 147 L CA -0.516 54.342 54.840 0.030 0.000 0.816 147 L CB 1.224 43.292 42.059 0.015 0.000 1.287 147 L HN 0.332 nan 8.230 nan 0.000 0.435 148 R N 1.839 122.349 120.500 0.016 0.000 2.534 148 R HA 0.762 5.102 4.340 0.000 0.000 0.301 148 R C -1.602 174.701 176.300 0.005 0.000 0.961 148 R CA -0.883 55.226 56.100 0.015 0.000 0.871 148 R CB 2.153 32.460 30.300 0.010 0.000 1.170 148 R HN 0.327 nan 8.270 nan 0.000 0.446 149 L N 2.157 123.384 121.223 0.007 0.000 2.431 149 L HA 0.529 4.869 4.340 0.000 0.000 0.266 149 L C -1.507 175.355 176.870 -0.014 0.000 0.978 149 L CA -0.517 54.316 54.840 -0.012 0.000 0.822 149 L CB 1.879 43.924 42.059 -0.024 0.000 1.310 149 L HN 0.352 nan 8.230 nan 0.000 0.409 150 K N 3.201 123.577 120.400 -0.041 0.000 2.668 150 K HA 0.597 4.917 4.320 0.000 0.000 0.246 150 K C -0.368 176.171 176.600 -0.102 0.000 0.976 150 K CA -0.145 56.106 56.287 -0.060 0.000 0.902 150 K CB 1.458 33.942 32.500 -0.026 0.000 1.172 150 K HN 0.896 nan 8.250 nan 0.000 0.452 151 G N 1.269 109.960 108.800 -0.181 0.000 2.621 151 G HA2 0.363 4.323 3.960 0.000 0.000 0.271 151 G HA3 0.363 4.323 3.960 0.000 0.000 0.271 151 G C -0.412 174.403 174.900 -0.141 0.000 1.236 151 G CA -0.139 44.856 45.100 -0.175 0.000 0.958 151 G HN 0.564 nan 8.290 nan 0.000 0.512 152 T N -3.033 111.453 114.554 -0.113 0.000 2.900 152 T HA 0.452 4.802 4.350 0.000 0.000 0.295 152 T C 0.637 175.294 174.700 -0.071 0.000 1.044 152 T CA -0.845 61.207 62.100 -0.079 0.000 0.995 152 T CB 2.149 70.986 68.868 -0.052 0.000 1.072 152 T HN 0.596 nan 8.240 nan 0.000 0.473 153 K N 0.942 121.311 120.400 -0.052 0.000 2.487 153 K HA 0.129 4.449 4.320 0.000 0.000 0.192 153 K C 0.022 176.609 176.600 -0.022 0.000 1.027 153 K CA 0.089 56.354 56.287 -0.036 0.000 1.054 153 K CB -0.273 32.213 32.500 -0.023 0.000 0.824 153 K HN 0.376 nan 8.250 nan 0.000 0.510 154 N N 1.428 120.114 118.700 -0.022 0.000 2.735 154 N HA 0.246 4.986 4.740 0.000 0.000 0.312 154 N C -1.272 174.230 175.510 -0.013 0.000 1.843 154 N CA -0.282 52.761 53.050 -0.013 0.000 0.945 154 N CB 0.617 39.099 38.487 -0.008 0.000 1.299 154 N HN 0.066 nan 8.380 nan 0.000 0.489 155 L N 0.891 122.104 121.223 -0.017 0.000 2.453 155 L HA 0.235 4.575 4.340 0.000 0.000 0.272 155 L C 0.641 177.509 176.870 -0.003 0.000 1.182 155 L CA 0.157 54.987 54.840 -0.016 0.000 0.858 155 L CB 0.533 42.579 42.059 -0.021 0.000 1.120 155 L HN 0.183 nan 8.230 nan 0.000 0.474 156 R N 3.869 124.370 120.500 0.001 0.000 2.407 156 R HA 0.385 4.725 4.340 0.000 0.000 0.303 156 R C -2.315 173.998 176.300 0.021 0.000 0.981 156 R CA -1.921 54.191 56.100 0.019 0.000 0.905 156 R CB 0.942 31.259 30.300 0.028 0.000 1.099 156 R HN 0.349 nan 8.270 nan 0.000 0.459 157 P HA -0.101 nan 4.420 nan 0.000 0.269 157 P C -0.722 176.570 177.300 -0.014 0.000 1.205 157 P CA 0.110 63.208 63.100 -0.004 0.000 0.780 157 P CB 0.441 32.156 31.700 0.027 0.000 0.858 158 I N 1.824 122.319 120.570 -0.126 0.000 2.474 158 I HA 0.339 4.509 4.170 0.000 0.000 0.294 158 I C -0.962 174.998 176.117 -0.263 0.000 1.005 158 I CA -0.665 60.583 61.300 -0.086 0.000 1.113 158 I CB 1.059 39.027 38.000 -0.053 0.000 1.289 158 I HN 0.294 nan 8.210 nan 0.000 0.436 159 H N 7.043 126.159 119.070 0.075 0.000 2.866 159 H HA 0.458 5.014 4.556 0.000 0.000 0.287 159 H C -1.721 173.701 175.328 0.156 0.000 1.106 159 H CA -0.322 55.775 56.048 0.081 0.000 1.396 159 H CB 0.873 30.664 29.762 0.049 0.000 1.469 159 H HN 0.555 nan 8.280 nan 0.000 0.500 160 Y N 1.138 121.462 120.300 0.041 0.000 2.470 160 Y HA 0.332 4.882 4.550 0.000 0.000 0.341 160 Y C -1.042 174.859 175.900 0.001 0.000 1.021 160 Y CA -0.786 57.326 58.100 0.021 0.000 1.025 160 Y CB 1.753 40.215 38.460 0.003 0.000 1.266 160 Y HN 0.424 nan 8.280 nan 0.000 0.448 161 E N 5.721 125.597 120.200 -0.540 0.000 2.092 161 E HA 0.228 4.578 4.350 0.000 0.000 0.271 161 E C -1.344 174.861 176.600 -0.659 0.000 0.919 161 E CA -0.722 55.428 56.400 -0.416 0.000 0.760 161 E CB 1.041 30.572 29.700 -0.282 0.000 1.106 161 E HN 0.665 nan 8.360 nan 0.000 0.408 162 L N 6.709 127.734 121.223 -0.330 0.000 2.540 162 L HA 0.018 4.358 4.340 0.000 0.000 0.276 162 L C -1.064 175.712 176.870 -0.157 0.000 1.212 162 L CA -0.301 54.442 54.840 -0.161 0.000 0.893 162 L CB 0.048 42.113 42.059 0.011 0.000 1.138 162 L HN 0.394 nan 8.230 nan 0.000 0.491 163 P HA 0.047 nan 4.420 nan 0.000 0.240 163 P C 0.024 177.306 177.300 -0.030 0.000 1.190 163 P CA 0.569 63.629 63.100 -0.066 0.000 0.781 163 P CB 0.680 32.365 31.700 -0.025 0.000 0.931 164 I N -0.995 119.570 120.570 -0.009 0.000 2.994 164 I HA 0.533 4.703 4.170 0.000 0.000 0.306 164 I C -0.663 175.451 176.117 -0.005 0.000 1.195 164 I CA -2.063 59.235 61.300 -0.004 0.000 1.001 164 I CB 1.949 39.956 38.000 0.012 0.000 1.244 164 I HN -0.235 nan 8.210 nan 0.000 0.437 165 A N 4.086 126.901 122.820 -0.008 0.000 3.004 165 A HA 0.403 4.723 4.320 0.000 0.000 0.252 165 A C 0.194 177.783 177.584 0.007 0.000 1.802 165 A CA 0.339 52.370 52.037 -0.009 0.000 1.424 165 A CB -1.250 17.746 19.000 -0.007 0.000 1.005 165 A HN 0.611 nan 8.150 nan 0.000 0.631 166 S N 0.376 116.084 115.700 0.015 0.000 2.429 166 S HA 0.533 5.003 4.470 0.000 0.000 0.302 166 S C 1.156 175.771 174.600 0.026 0.000 1.115 166 S CA -0.048 58.167 58.200 0.025 0.000 1.095 166 S CB 1.071 64.291 63.200 0.032 0.000 0.987 166 S HN 0.837 nan 8.310 nan 0.000 0.474 167 A N 4.598 127.435 122.820 0.029 0.000 1.968 167 A HA -0.025 4.295 4.320 0.000 0.000 0.217 167 A C 2.023 179.628 177.584 0.036 0.000 1.169 167 A CA 1.018 53.074 52.037 0.031 0.000 0.638 167 A CB -0.531 18.495 19.000 0.044 0.000 0.812 167 A HN 0.897 nan 8.150 nan 0.000 0.446 168 Q N -0.382 119.442 119.800 0.040 0.000 2.061 168 Q HA -0.141 4.199 4.340 0.000 0.000 0.204 168 Q C 2.148 178.168 176.000 0.033 0.000 0.984 168 Q CA 1.836 57.663 55.803 0.040 0.000 0.846 168 Q CB -0.374 28.380 28.738 0.027 0.000 0.902 168 Q HN 0.489 nan 8.270 nan 0.000 0.421 169 V N 1.414 121.346 119.914 0.030 0.000 2.343 169 V HA -0.296 3.824 4.120 0.000 0.000 0.247 169 V C 2.304 178.412 176.094 0.022 0.000 1.051 169 V CA 2.034 64.350 62.300 0.027 0.000 1.036 169 V CB -0.603 31.253 31.823 0.055 0.000 0.654 169 V HN 0.359 nan 8.190 nan 0.000 0.451 170 K N 0.276 120.689 120.400 0.023 0.000 2.032 170 K HA -0.205 4.115 4.320 0.000 0.000 0.209 170 K C 2.315 178.887 176.600 -0.047 0.000 1.048 170 K CA 2.099 58.386 56.287 0.000 0.000 0.927 170 K CB -0.258 32.239 32.500 -0.005 0.000 0.712 170 K HN 0.464 nan 8.250 nan 0.000 0.441 171 S N 0.653 116.324 115.700 -0.048 0.000 2.356 171 S HA -0.128 4.342 4.470 0.000 0.000 0.223 171 S C 2.095 176.636 174.600 -0.098 0.000 1.032 171 S CA 1.125 59.241 58.200 -0.140 0.000 1.005 171 S CB -0.364 62.831 63.200 -0.008 0.000 0.867 171 S HN 0.546 nan 8.310 nan 0.000 0.449 172 A N 1.518 124.378 122.820 0.066 0.000 1.908 172 A HA -0.075 4.245 4.320 0.000 0.000 0.218 172 A C 2.009 179.628 177.584 0.059 0.000 1.181 172 A CA 1.359 53.476 52.037 0.134 0.000 0.627 172 A CB -0.709 18.325 19.000 0.056 0.000 0.818 172 A HN 0.371 nan 8.150 nan 0.000 0.445 173 L N -1.003 120.210 121.223 -0.016 0.000 2.141 173 L HA -0.069 4.271 4.340 0.000 0.000 0.209 173 L C 2.661 179.498 176.870 -0.056 0.000 1.094 173 L CA 1.621 56.437 54.840 -0.040 0.000 0.763 173 L CB -0.795 41.239 42.059 -0.042 0.000 0.908 173 L HN 0.397 nan 8.230 nan 0.000 0.437 174 M N -2.133 117.393 119.600 -0.124 0.000 2.099 174 M HA -0.205 4.275 4.480 0.000 0.000 0.262 174 M C 2.298 178.504 176.300 -0.157 0.000 1.067 174 M CA 1.826 57.016 55.300 -0.184 0.000 1.124 174 M CB -0.416 31.999 32.600 -0.308 0.000 1.353 174 M HN 0.101 nan 8.290 nan 0.000 0.410 175 F N 0.123 120.037 119.950 -0.060 0.000 2.161 175 F HA -0.220 4.307 4.527 0.000 0.000 0.300 175 F C 2.604 178.363 175.800 -0.068 0.000 1.089 175 F CA 0.946 58.887 58.000 -0.097 0.000 1.282 175 F CB -0.517 38.399 39.000 -0.140 0.000 1.010 175 F HN 0.168 nan 8.300 nan 0.000 0.485 176 A N 0.113 123.001 122.820 0.114 0.000 1.898 176 A HA -0.075 4.245 4.320 0.000 0.000 0.216 176 A C 2.361 179.955 177.584 0.016 0.000 1.181 176 A CA 1.508 53.569 52.037 0.040 0.000 0.620 176 A CB -1.195 17.806 19.000 0.002 0.000 0.819 176 A HN 0.309 nan 8.150 nan 0.000 0.442 177 A N -0.535 122.284 122.820 -0.000 0.000 1.940 177 A HA -0.045 4.275 4.320 0.000 0.000 0.219 177 A C 1.859 179.450 177.584 0.013 0.000 1.176 177 A CA 1.661 53.691 52.037 -0.012 0.000 0.631 177 A CB -0.526 18.454 19.000 -0.034 0.000 0.814 177 A HN 0.391 nan 8.150 nan 0.000 0.446 178 L N -0.447 120.798 121.223 0.036 0.000 2.353 178 L HA -0.158 4.182 4.340 0.000 0.000 0.220 178 L C 2.327 179.229 176.870 0.054 0.000 1.133 178 L CA 1.770 56.647 54.840 0.062 0.000 0.798 178 L CB -0.728 41.392 42.059 0.102 0.000 0.922 178 L HN 0.527 nan 8.230 nan 0.000 0.445 179 Q N -1.525 118.298 119.800 0.038 0.000 2.350 179 Q HA 0.339 4.679 4.340 0.000 0.000 0.225 179 Q C 0.768 176.776 176.000 0.014 0.000 0.878 179 Q CA 0.195 56.013 55.803 0.025 0.000 0.935 179 Q CB 0.405 29.150 28.738 0.012 0.000 1.099 179 Q HN 0.388 nan 8.270 nan 0.000 0.527 180 A N 2.384 125.210 122.820 0.010 0.000 2.354 180 A HA 0.269 4.589 4.320 0.000 0.000 0.269 180 A C -0.198 177.393 177.584 0.012 0.000 1.109 180 A CA -0.588 51.452 52.037 0.005 0.000 0.800 180 A CB 0.330 19.328 19.000 -0.003 0.000 1.045 180 A HN 0.007 nan 8.150 nan 0.000 0.489 181 K N 2.121 122.529 120.400 0.014 0.000 2.273 181 K HA 0.577 4.897 4.320 0.000 0.000 0.287 181 K C 0.181 176.794 176.600 0.022 0.000 1.089 181 K CA 0.437 56.735 56.287 0.019 0.000 0.909 181 K CB -0.227 32.284 32.500 0.018 0.000 1.123 181 K HN 1.669 nan 8.250 nan 0.000 0.473 182 G N 1.530 110.343 108.800 0.023 0.000 2.353 182 G HA2 -0.096 3.864 3.960 0.000 0.000 0.424 182 G HA3 -0.096 3.864 3.960 0.000 0.000 0.424 182 G C -1.773 173.137 174.900 0.018 0.000 1.320 182 G CA -1.010 44.108 45.100 0.029 0.000 0.995 182 G HN 0.595 nan 8.290 nan 0.000 0.580 183 E N 0.030 120.246 120.200 0.027 0.000 2.167 183 E HA 0.595 4.945 4.350 0.000 0.000 0.284 183 E C -0.133 176.404 176.600 -0.106 0.000 1.016 183 E CA -0.380 56.019 56.400 -0.002 0.000 0.817 183 E CB 0.714 30.436 29.700 0.036 0.000 1.080 183 E HN 0.410 nan 8.360 nan 0.000 0.397 184 S N 2.606 118.213 115.700 -0.155 0.000 2.549 184 S HA 0.489 4.960 4.470 0.000 0.000 0.297 184 S C -0.953 173.504 174.600 -0.239 0.000 1.115 184 S CA -0.725 57.295 58.200 -0.299 0.000 1.059 184 S CB 1.744 64.843 63.200 -0.168 0.000 1.046 184 S HN 0.400 nan 8.310 nan 0.000 0.506 185 V N 3.816 123.548 119.914 -0.303 0.000 2.447 185 V HA 0.457 4.577 4.120 0.000 0.000 0.292 185 V C -0.884 175.180 176.094 -0.050 0.000 1.021 185 V CA -0.414 61.821 62.300 -0.109 0.000 0.850 185 V CB 1.184 33.001 31.823 -0.010 0.000 1.005 185 V HN 0.764 nan 8.190 nan 0.000 0.426 186 I N 6.002 126.557 120.570 -0.024 0.000 2.362 186 I HA 0.516 4.686 4.170 0.000 0.000 0.289 186 I C -0.531 175.580 176.117 -0.011 0.000 0.994 186 I CA -0.329 60.976 61.300 0.007 0.000 1.158 186 I CB 1.685 39.688 38.000 0.005 0.000 1.315 186 I HN 0.416 nan 8.210 nan 0.000 0.451 187 I N 6.048 126.605 120.570 -0.023 0.000 2.362 187 I HA 0.299 4.469 4.170 0.000 0.000 0.289 187 I C 0.150 176.213 176.117 -0.090 0.000 0.994 187 I CA -0.642 60.621 61.300 -0.062 0.000 1.158 187 I CB 1.327 39.285 38.000 -0.070 0.000 1.315 187 I HN 0.556 nan 8.210 nan 0.000 0.451 188 E N 4.354 124.480 120.200 -0.122 0.000 2.366 188 E HA 0.029 4.379 4.350 0.000 0.000 0.266 188 E C 0.478 176.973 176.600 -0.175 0.000 1.051 188 E CA -0.309 56.004 56.400 -0.145 0.000 0.884 188 E CB 1.516 31.098 29.700 -0.198 0.000 1.006 188 E HN 0.362 nan 8.360 nan 0.000 0.417 189 K N 1.763 122.082 120.400 -0.136 0.000 2.076 189 K HA -0.024 4.296 4.320 0.000 0.000 0.204 189 K C 0.085 176.597 176.600 -0.148 0.000 1.051 189 K CA 1.452 57.664 56.287 -0.124 0.000 0.949 189 K CB 0.458 32.908 32.500 -0.084 0.000 0.726 189 K HN 0.335 nan 8.250 nan 0.000 0.443 190 E N -1.022 119.086 120.200 -0.154 0.000 2.429 190 E HA 0.151 4.501 4.350 0.000 0.000 0.276 190 E C -1.138 175.355 176.600 -0.178 0.000 0.953 190 E CA -0.856 55.453 56.400 -0.151 0.000 0.787 190 E CB 0.712 30.389 29.700 -0.039 0.000 1.307 190 E HN 0.040 nan 8.360 nan 0.000 0.458 191 Y N 0.967 121.256 120.300 -0.018 0.000 2.465 191 Y HA 0.168 4.718 4.550 0.000 0.000 0.331 191 Y C 1.328 177.213 175.900 -0.025 0.000 1.102 191 Y CA 0.344 58.430 58.100 -0.023 0.000 1.358 191 Y CB 0.582 39.027 38.460 -0.025 0.000 1.213 191 Y HN 0.300 nan 8.280 nan 0.000 0.525 192 T N 1.191 115.804 114.554 0.098 0.000 2.910 192 T HA 0.494 4.844 4.350 0.000 0.000 0.287 192 T C -0.359 174.347 174.700 0.009 0.000 1.050 192 T CA -1.556 60.570 62.100 0.045 0.000 1.011 192 T CB 1.142 70.023 68.868 0.022 0.000 1.195 192 T HN 0.641 nan 8.240 nan 0.000 0.540 193 R N 1.859 122.341 120.500 -0.030 0.000 2.494 193 R HA -0.021 4.319 4.340 0.000 0.000 0.291 193 R C -0.284 175.911 176.300 -0.174 0.000 0.953 193 R CA -0.000 56.004 56.100 -0.159 0.000 1.098 193 R CB -0.527 29.694 30.300 -0.132 0.000 0.911 193 R HN 0.844 nan 8.270 nan 0.000 0.407 194 N N 1.746 120.291 118.700 -0.257 0.000 2.320 194 N HA -0.022 4.718 4.740 0.000 0.000 0.237 194 N C 0.107 175.556 175.510 -0.103 0.000 1.129 194 N CA -0.247 52.726 53.050 -0.129 0.000 0.854 194 N CB -0.270 38.178 38.487 -0.065 0.000 1.083 194 N HN 0.709 nan 8.380 nan 0.000 0.504 195 H N -0.331 118.774 119.070 0.059 0.000 2.387 195 H HA -0.054 4.502 4.556 0.000 0.000 0.299 195 H C 1.209 176.592 175.328 0.091 0.000 1.099 195 H CA 2.132 58.225 56.048 0.074 0.000 1.315 195 H CB 0.178 30.001 29.762 0.101 0.000 1.380 195 H HN 0.222 nan 8.280 nan 0.000 0.513 196 T N 0.426 115.099 114.554 0.198 0.000 2.788 196 T HA -0.126 4.224 4.350 0.000 0.000 0.268 196 T C 1.683 176.442 174.700 0.098 0.000 1.044 196 T CA 1.488 63.697 62.100 0.181 0.000 1.139 196 T CB -0.089 68.765 68.868 -0.024 0.000 0.867 196 T HN 0.409 nan 8.240 nan 0.000 0.454 197 E N 1.124 121.346 120.200 0.037 0.000 2.072 197 E HA -0.078 4.272 4.350 0.000 0.000 0.191 197 E C 2.096 178.696 176.600 -0.001 0.000 0.985 197 E CA 0.986 57.392 56.400 0.011 0.000 0.801 197 E CB -0.184 29.519 29.700 0.005 0.000 0.750 197 E HN 0.344 nan 8.360 nan 0.000 0.452 198 D N -0.025 120.383 120.400 0.013 0.000 2.084 198 D HA -0.117 4.523 4.640 0.000 0.000 0.194 198 D C 1.873 178.148 176.300 -0.042 0.000 0.990 198 D CA 1.170 55.172 54.000 0.004 0.000 0.826 198 D CB -0.163 40.665 40.800 0.047 0.000 0.971 198 D HN 0.174 nan 8.370 nan 0.000 0.453 199 M N -0.139 119.415 119.600 -0.077 0.000 2.296 199 M HA -0.077 4.403 4.480 0.000 0.000 0.265 199 M C 2.005 177.979 176.300 -0.543 0.000 1.064 199 M CA 0.446 55.587 55.300 -0.264 0.000 1.109 199 M CB -0.026 32.373 32.600 -0.335 0.000 1.396 199 M HN 0.015 nan 8.290 nan 0.000 0.430 200 L N 0.781 121.755 121.223 -0.414 0.000 2.083 200 L HA -0.220 4.120 4.340 0.000 0.000 0.209 200 L C 2.203 178.998 176.870 -0.125 0.000 1.083 200 L CA 1.992 56.699 54.840 -0.222 0.000 0.752 200 L CB -0.598 41.486 42.059 0.041 0.000 0.899 200 L HN 0.318 nan 8.230 nan 0.000 0.433 201 Q N -1.077 118.658 119.800 -0.110 0.000 2.123 201 Q HA -0.238 4.102 4.340 0.000 0.000 0.199 201 Q C 2.219 178.158 176.000 -0.102 0.000 0.966 201 Q CA 1.527 57.267 55.803 -0.106 0.000 0.845 201 Q CB -0.281 28.417 28.738 -0.067 0.000 0.907 201 Q HN 0.672 nan 8.270 nan 0.000 0.439 202 Q N 0.142 119.890 119.800 -0.087 0.000 2.170 202 Q HA -0.139 4.201 4.340 0.000 0.000 0.203 202 Q C 0.573 176.454 176.000 -0.198 0.000 0.976 202 Q CA 1.007 56.738 55.803 -0.119 0.000 0.858 202 Q CB 0.140 28.820 28.738 -0.096 0.000 0.907 202 Q HN 0.299 nan 8.270 nan 0.000 0.433 203 F N -0.477 119.334 119.950 -0.232 0.000 2.663 203 F HA 0.287 4.814 4.527 0.000 0.000 0.299 203 F C 1.318 177.055 175.800 -0.104 0.000 1.143 203 F CA 0.622 58.532 58.000 -0.150 0.000 1.387 203 F CB 0.543 39.452 39.000 -0.152 0.000 1.019 203 F HN 0.226 nan 8.300 nan 0.000 0.523 204 G N 0.090 108.858 108.800 -0.053 0.000 2.148 204 G HA2 -0.228 3.732 3.960 0.000 0.000 0.254 204 G HA3 -0.228 3.732 3.960 0.000 0.000 0.254 204 G C 0.772 175.512 174.900 -0.266 0.000 0.981 204 G CA -0.060 44.972 45.100 -0.112 0.000 0.670 204 G HN 0.768 nan 8.290 nan 0.000 0.528 205 G N -1.227 107.434 108.800 -0.232 0.000 2.557 205 G HA2 0.665 4.625 3.960 0.000 0.000 0.292 205 G HA3 0.665 4.625 3.960 0.000 0.000 0.292 205 G C -0.594 173.949 174.900 -0.594 0.000 1.237 205 G CA -0.422 44.516 45.100 -0.269 0.000 0.978 205 G HN 0.601 nan 8.290 nan 0.000 0.498 206 H N -1.654 117.448 119.070 0.053 0.000 2.895 206 H HA 0.686 5.242 4.556 0.000 0.000 0.373 206 H C -0.131 175.213 175.328 0.028 0.000 1.174 206 H CA -0.719 55.350 56.048 0.034 0.000 1.144 206 H CB 2.241 32.020 29.762 0.029 0.000 1.793 206 H HN 0.658 nan 8.280 nan 0.000 0.551 207 L N -1.292 120.013 121.223 0.137 0.000 2.794 207 L HA 0.717 5.057 4.340 0.000 0.000 0.261 207 L C -1.427 175.480 176.870 0.062 0.000 0.989 207 L CA -0.767 54.119 54.840 0.077 0.000 0.900 207 L CB 2.398 44.482 42.059 0.042 0.000 1.473 207 L HN 0.572 nan 8.230 nan 0.000 0.414 208 S N 1.384 117.110 115.700 0.043 0.000 2.498 208 S HA 0.750 5.220 4.470 0.000 0.000 0.317 208 S C -0.691 173.927 174.600 0.030 0.000 1.090 208 S CA -0.394 57.828 58.200 0.036 0.000 1.089 208 S CB 1.369 64.588 63.200 0.031 0.000 0.997 208 S HN 1.040 nan 8.310 nan 0.000 0.470 209 V N 2.573 122.507 119.914 0.033 0.000 2.328 209 V HA 0.659 4.779 4.120 0.000 0.000 0.278 209 V C -0.734 175.386 176.094 0.045 0.000 1.021 209 V CA -0.717 61.606 62.300 0.039 0.000 0.838 209 V CB 1.230 33.080 31.823 0.045 0.000 0.999 209 V HN 0.805 nan 8.190 nan 0.000 0.447 210 D N 4.077 124.504 120.400 0.046 0.000 2.446 210 D HA 0.611 5.251 4.640 0.000 0.000 0.251 210 D C 0.786 177.126 176.300 0.065 0.000 1.137 210 D CA 1.156 55.184 54.000 0.047 0.000 0.890 210 D CB 1.003 41.822 40.800 0.032 0.000 1.071 210 D HN 1.226 nan 8.370 nan 0.000 0.528 211 G N 4.333 113.201 108.800 0.113 0.000 2.556 211 G HA2 -0.357 3.603 3.960 0.000 0.000 0.283 211 G HA3 -0.357 3.603 3.960 0.000 0.000 0.283 211 G C 0.802 175.810 174.900 0.180 0.000 1.177 211 G CA 0.391 45.604 45.100 0.190 0.000 0.978 211 G HN 0.525 nan 8.290 nan 0.000 0.554 212 K N 0.907 121.281 120.400 -0.043 0.000 2.444 212 K HA 0.138 4.458 4.320 0.000 0.000 0.193 212 K C 1.120 177.658 176.600 -0.104 0.000 1.024 212 K CA 0.502 56.642 56.287 -0.245 0.000 1.077 212 K CB 0.273 32.525 32.500 -0.413 0.000 0.833 212 K HN 0.414 nan 8.250 nan 0.000 0.517 213 K N 2.080 122.458 120.400 -0.036 0.000 2.276 213 K HA 0.238 4.558 4.320 0.000 0.000 0.285 213 K C -0.949 175.651 176.600 0.001 0.000 1.062 213 K CA -0.180 56.096 56.287 -0.019 0.000 0.918 213 K CB 0.524 33.021 32.500 -0.005 0.000 1.055 213 K HN -0.051 nan 8.250 nan 0.000 0.477 214 I N 3.298 123.864 120.570 -0.006 0.000 2.406 214 I HA 0.139 4.309 4.170 0.000 0.000 0.290 214 I C -0.166 175.947 176.117 -0.008 0.000 0.999 214 I CA -0.739 60.560 61.300 -0.001 0.000 1.124 214 I CB 2.100 40.096 38.000 -0.008 0.000 1.289 214 I HN 0.557 nan 8.210 nan 0.000 0.441 215 T N 6.265 120.819 114.554 0.000 0.000 2.792 215 T HA 0.643 4.993 4.350 0.000 0.000 0.280 215 T C -0.965 173.736 174.700 0.001 0.000 0.990 215 T CA -0.414 61.682 62.100 -0.005 0.000 0.960 215 T CB 0.898 69.770 68.868 0.008 0.000 0.939 215 T HN 0.264 nan 8.240 nan 0.000 0.439 216 V N 6.559 126.465 119.914 -0.014 0.000 2.443 216 V HA 0.454 4.574 4.120 0.000 0.000 0.293 216 V C -0.341 175.754 176.094 0.003 0.000 1.021 216 V CA -0.965 61.337 62.300 0.002 0.000 0.848 216 V CB 1.778 33.595 31.823 -0.010 0.000 0.998 216 V HN 0.800 nan 8.190 nan 0.000 0.424 217 Q N 2.374 122.191 119.800 0.027 0.000 2.260 217 Q HA 0.726 5.066 4.340 0.000 0.000 0.242 217 Q C 0.281 176.304 176.000 0.038 0.000 0.932 217 Q CA -0.148 55.671 55.803 0.027 0.000 0.891 217 Q CB 2.298 31.055 28.738 0.031 0.000 1.222 217 Q HN 0.945 nan 8.270 nan 0.000 0.453 218 G N 1.073 109.891 108.800 0.031 0.000 2.690 218 G HA2 0.605 4.565 3.960 0.000 0.000 0.291 218 G HA3 0.605 4.565 3.960 0.000 0.000 0.291 218 G C -2.937 171.983 174.900 0.033 0.000 1.403 218 G CA -1.169 43.954 45.100 0.037 0.000 0.864 218 G HN 0.287 nan 8.290 nan 0.000 0.480 219 P HA 0.341 nan 4.420 nan 0.000 0.274 219 P C -0.661 176.677 177.300 0.063 0.000 1.237 219 P CA -0.220 62.907 63.100 0.045 0.000 0.793 219 P CB 0.925 32.648 31.700 0.039 0.000 0.977 220 Q N 0.784 120.630 119.800 0.078 0.000 2.413 220 Q HA 0.456 4.796 4.340 0.000 0.000 0.276 220 Q C -0.744 175.319 176.000 0.104 0.000 1.099 220 Q CA -1.032 54.833 55.803 0.103 0.000 0.814 220 Q CB 2.234 31.047 28.738 0.125 0.000 1.379 220 Q HN 0.213 nan 8.270 nan 0.000 0.436 221 K N 1.749 122.218 120.400 0.114 0.000 2.292 221 K HA 0.534 4.854 4.320 0.000 0.000 0.257 221 K C -1.074 175.603 176.600 0.129 0.000 0.940 221 K CA -0.765 55.588 56.287 0.110 0.000 0.811 221 K CB 1.455 34.011 32.500 0.094 0.000 1.120 221 K HN 0.312 nan 8.250 nan 0.000 0.428 222 L N 0.859 122.171 121.223 0.147 0.000 2.313 222 L HA 0.551 4.891 4.340 0.000 0.000 0.268 222 L C 0.193 177.173 176.870 0.183 0.000 1.010 222 L CA -0.412 54.545 54.840 0.195 0.000 0.814 222 L CB 1.839 44.066 42.059 0.280 0.000 1.304 222 L HN 0.533 nan 8.230 nan 0.000 0.441 223 T N 0.219 114.890 114.554 0.194 0.000 2.861 223 T HA 0.592 4.942 4.350 0.000 0.000 0.287 223 T C 0.116 174.888 174.700 0.120 0.000 1.003 223 T CA -0.665 61.509 62.100 0.122 0.000 0.977 223 T CB 1.630 70.523 68.868 0.042 0.000 0.996 223 T HN 0.806 nan 8.240 nan 0.000 0.448 224 G N 2.413 111.277 108.800 0.107 0.000 2.562 224 G HA2 0.407 4.367 3.960 0.000 0.000 0.233 224 G HA3 0.407 4.367 3.960 0.000 0.000 0.233 224 G C -0.516 174.290 174.900 -0.156 0.000 1.266 224 G CA -0.090 45.056 45.100 0.077 0.000 0.852 224 G HN 0.503 nan 8.290 nan 0.000 0.581 225 Q N -0.138 119.486 119.800 -0.292 0.000 2.615 225 Q HA 0.370 4.710 4.340 0.000 0.000 0.298 225 Q C -0.771 175.132 176.000 -0.161 0.000 1.023 225 Q CA -0.842 54.727 55.803 -0.389 0.000 0.768 225 Q CB 2.092 30.294 28.738 -0.893 0.000 1.500 225 Q HN 0.530 nan 8.270 nan 0.000 0.441 226 K N 0.961 121.303 120.400 -0.096 0.000 2.240 226 K HA 0.548 4.868 4.320 0.000 0.000 0.271 226 K C -0.926 175.707 176.600 0.055 0.000 1.018 226 K CA -0.410 55.923 56.287 0.077 0.000 0.874 226 K CB 1.373 33.931 32.500 0.097 0.000 1.098 226 K HN 0.215 nan 8.250 nan 0.000 0.458 227 V N 3.987 123.996 119.914 0.158 0.000 2.409 227 V HA 0.231 4.351 4.120 0.000 0.000 0.291 227 V C -0.305 175.911 176.094 0.202 0.000 1.020 227 V CA -0.982 61.401 62.300 0.138 0.000 0.848 227 V CB 1.684 33.606 31.823 0.164 0.000 0.990 227 V HN 0.421 nan 8.190 nan 0.000 0.430 228 V N 5.941 125.926 119.914 0.120 0.000 2.333 228 V HA 0.316 4.436 4.120 0.000 0.000 0.274 228 V C 0.106 176.242 176.094 0.070 0.000 1.028 228 V CA -0.572 61.792 62.300 0.107 0.000 0.851 228 V CB 1.625 33.458 31.823 0.015 0.000 1.000 228 V HN 0.627 nan 8.190 nan 0.000 0.456 229 V N 8.896 128.853 119.914 0.072 0.000 2.455 229 V HA 0.258 4.378 4.120 0.000 0.000 0.273 229 V C -1.451 174.654 176.094 0.019 0.000 1.045 229 V CA -1.228 61.092 62.300 0.033 0.000 0.976 229 V CB 1.127 32.961 31.823 0.018 0.000 0.993 229 V HN 0.738 nan 8.190 nan 0.000 0.475 230 P HA 0.198 nan 4.420 nan 0.000 0.274 230 P C 0.244 177.545 177.300 0.001 0.000 1.246 230 P CA -0.087 63.019 63.100 0.009 0.000 0.795 230 P CB 0.871 32.580 31.700 0.015 0.000 1.006 231 G N 0.650 109.454 108.800 0.007 0.000 2.491 231 G HA2 0.045 4.005 3.960 0.000 0.000 0.242 231 G HA3 0.045 4.005 3.960 0.000 0.000 0.242 231 G C -0.290 174.613 174.900 0.005 0.000 1.266 231 G CA -0.099 45.003 45.100 0.002 0.000 0.844 231 G HN 0.480 nan 8.290 nan 0.000 0.571 232 D N 1.087 121.482 120.400 -0.009 0.000 2.312 232 D HA 0.124 4.764 4.640 0.000 0.000 0.252 232 D C 1.526 177.847 176.300 0.036 0.000 1.150 232 D CA -0.620 53.385 54.000 0.007 0.000 0.870 232 D CB 1.139 41.935 40.800 -0.006 0.000 1.153 232 D HN 0.070 nan 8.370 nan 0.000 0.457 233 I N 2.227 122.823 120.570 0.044 0.000 2.394 233 I HA -0.198 3.972 4.170 0.000 0.000 0.251 233 I C 2.360 178.489 176.117 0.019 0.000 1.136 233 I CA 0.757 62.082 61.300 0.043 0.000 1.425 233 I CB -0.594 37.430 38.000 0.040 0.000 1.079 233 I HN 0.253 nan 8.210 nan 0.000 0.425 234 S N 0.009 115.722 115.700 0.023 0.000 2.423 234 S HA -0.104 4.366 4.470 0.000 0.000 0.231 234 S C 2.184 176.800 174.600 0.027 0.000 1.014 234 S CA 1.409 59.602 58.200 -0.013 0.000 0.965 234 S CB -0.247 62.983 63.200 0.048 0.000 0.785 234 S HN 0.468 nan 8.310 nan 0.000 0.495 235 S N 1.359 117.140 115.700 0.134 0.000 2.404 235 S HA 0.189 4.659 4.470 0.000 0.000 0.223 235 S C 2.272 177.085 174.600 0.355 0.000 1.040 235 S CA 0.621 59.010 58.200 0.315 0.000 0.957 235 S CB -0.337 62.848 63.200 -0.024 0.000 0.826 235 S HN 0.568 nan 8.310 nan 0.000 0.491 236 A N 1.760 124.714 122.820 0.223 0.000 2.019 236 A HA 0.105 4.425 4.320 0.000 0.000 0.219 236 A C 2.265 179.949 177.584 0.167 0.000 1.164 236 A CA 1.573 53.784 52.037 0.290 0.000 0.644 236 A CB -0.934 18.181 19.000 0.191 0.000 0.805 236 A HN 0.492 nan 8.150 nan 0.000 0.449 237 A N -0.819 121.989 122.820 -0.020 0.000 1.986 237 A HA -0.089 4.231 4.320 0.000 0.000 0.220 237 A C 1.882 179.302 177.584 -0.273 0.000 1.171 237 A CA 1.553 53.480 52.037 -0.183 0.000 0.640 237 A CB -0.823 17.974 19.000 -0.338 0.000 0.811 237 A HN 0.530 nan 8.150 nan 0.000 0.451 238 F N -2.106 117.736 119.950 -0.181 0.000 2.234 238 F HA -0.149 4.378 4.527 0.000 0.000 0.299 238 F C 2.044 177.628 175.800 -0.360 0.000 1.087 238 F CA 1.079 58.860 58.000 -0.364 0.000 1.340 238 F CB -0.440 38.205 39.000 -0.592 0.000 1.031 238 F HN 0.390 nan 8.300 nan 0.000 0.500 239 W N -0.407 121.065 121.300 0.286 0.000 2.576 239 W HA 0.102 4.762 4.660 0.000 0.000 0.275 239 W C 1.993 178.578 176.519 0.111 0.000 1.241 239 W CA -0.054 57.399 57.345 0.181 0.000 1.328 239 W CB -0.479 29.080 29.460 0.166 0.000 1.092 239 W HN -0.101 nan 8.180 nan 0.000 0.586 240 L N -0.157 121.212 121.223 0.243 0.000 1.989 240 L HA -0.247 4.093 4.340 0.000 0.000 0.211 240 L C 2.257 179.191 176.870 0.106 0.000 1.071 240 L CA 1.095 56.021 54.840 0.144 0.000 0.749 240 L CB -1.318 40.784 42.059 0.073 0.000 0.890 240 L HN -0.126 nan 8.230 nan 0.000 0.431 241 V N 0.047 119.998 119.914 0.062 0.000 2.295 241 V HA -0.292 3.828 4.120 0.000 0.000 0.246 241 V C 2.760 178.907 176.094 0.089 0.000 1.049 241 V CA 1.812 64.138 62.300 0.044 0.000 1.024 241 V CB -0.918 30.901 31.823 -0.007 0.000 0.648 241 V HN 0.489 nan 8.190 nan 0.000 0.447 242 A N 0.552 123.459 122.820 0.144 0.000 1.908 242 A HA -0.133 4.187 4.320 0.000 0.000 0.218 242 A C 2.396 180.088 177.584 0.180 0.000 1.181 242 A CA 2.050 54.201 52.037 0.191 0.000 0.627 242 A CB -1.222 17.976 19.000 0.330 0.000 0.818 242 A HN 0.549 nan 8.150 nan 0.000 0.445 243 G N -0.740 108.176 108.800 0.194 0.000 2.443 243 G HA2 -0.025 3.935 3.960 0.000 0.000 0.219 243 G HA3 -0.025 3.935 3.960 0.000 0.000 0.219 243 G C 1.486 176.442 174.900 0.094 0.000 1.131 243 G CA 0.902 46.090 45.100 0.147 0.000 0.775 243 G HN 0.437 nan 8.290 nan 0.000 0.547 244 L N -0.337 120.936 121.223 0.082 0.000 2.209 244 L HA 0.246 4.586 4.340 0.000 0.000 0.207 244 L C 2.517 179.413 176.870 0.043 0.000 1.094 244 L CA 0.483 55.354 54.840 0.053 0.000 0.790 244 L CB -0.048 42.037 42.059 0.043 0.000 0.932 244 L HN 0.172 nan 8.230 nan 0.000 0.447 245 I N -0.726 119.875 120.570 0.052 0.000 3.265 245 I HA 0.077 4.247 4.170 0.000 0.000 0.282 245 I C 1.274 177.417 176.117 0.044 0.000 1.207 245 I CA -0.207 61.118 61.300 0.042 0.000 1.449 245 I CB 0.050 38.075 38.000 0.042 0.000 1.121 245 I HN 0.039 nan 8.210 nan 0.000 0.442 246 A N 2.723 125.580 122.820 0.060 0.000 2.322 246 A HA 0.442 4.762 4.320 0.000 0.000 0.269 246 A C -2.274 175.328 177.584 0.029 0.000 1.094 246 A CA -1.222 50.849 52.037 0.057 0.000 0.807 246 A CB -0.372 18.682 19.000 0.090 0.000 1.047 246 A HN -0.053 nan 8.150 nan 0.000 0.487 247 P HA 0.054 nan 4.420 nan 0.000 0.274 247 P C -0.728 176.520 177.300 -0.088 0.000 1.231 247 P CA -0.273 62.812 63.100 -0.025 0.000 0.790 247 P CB 0.289 31.981 31.700 -0.015 0.000 0.951 248 N N -0.789 117.820 118.700 -0.152 0.000 2.689 248 N HA -0.127 4.613 4.740 0.000 0.000 0.263 248 N C -0.675 174.564 175.510 -0.450 0.000 0.987 248 N CA 1.089 53.937 53.050 -0.336 0.000 0.782 248 N CB -1.382 36.818 38.487 -0.479 0.000 0.903 248 N HN 0.354 nan 8.380 nan 0.000 0.547 249 S N 0.283 115.886 115.700 -0.162 0.000 2.542 249 S HA 0.679 5.149 4.470 0.000 0.000 0.293 249 S C 0.201 174.825 174.600 0.041 0.000 1.089 249 S CA -0.847 57.346 58.200 -0.010 0.000 0.961 249 S CB 3.258 66.503 63.200 0.076 0.000 1.062 249 S HN 0.442 nan 8.310 nan 0.000 0.483 250 R N 2.332 122.902 120.500 0.117 0.000 2.605 250 R HA 0.443 4.783 4.340 0.000 0.000 0.291 250 R C -2.039 174.332 176.300 0.117 0.000 1.226 250 R CA -0.257 55.903 56.100 0.101 0.000 0.981 250 R CB 0.427 30.780 30.300 0.087 0.000 1.215 250 R HN 0.615 nan 8.270 nan 0.000 0.428 251 L N 3.842 125.122 121.223 0.096 0.000 2.334 251 L HA 0.659 4.999 4.340 0.000 0.000 0.276 251 L C -0.519 176.387 176.870 0.059 0.000 1.014 251 L CA -1.312 53.570 54.840 0.070 0.000 0.815 251 L CB 2.129 44.244 42.059 0.094 0.000 1.268 251 L HN 0.331 nan 8.230 nan 0.000 0.428 252 V N 4.929 124.861 119.914 0.030 0.000 2.407 252 V HA 0.438 4.558 4.120 0.000 0.000 0.291 252 V C -0.874 175.234 176.094 0.023 0.000 1.018 252 V CA -0.456 61.862 62.300 0.031 0.000 0.842 252 V CB 1.497 33.332 31.823 0.021 0.000 0.996 252 V HN 0.439 nan 8.190 nan 0.000 0.426 253 L N 7.077 128.332 121.223 0.052 0.000 2.277 253 L HA 0.559 4.899 4.340 0.000 0.000 0.284 253 L C 0.302 177.202 176.870 0.050 0.000 1.028 253 L CA 0.124 55.003 54.840 0.066 0.000 0.835 253 L CB 0.928 43.064 42.059 0.127 0.000 1.215 253 L HN 0.747 nan 8.230 nan 0.000 0.425 254 Q N 1.822 121.642 119.800 0.033 0.000 2.212 254 Q HA 0.233 4.573 4.340 0.000 0.000 0.238 254 Q C 0.403 176.420 176.000 0.029 0.000 0.955 254 Q CA -0.642 55.176 55.803 0.026 0.000 0.906 254 Q CB 0.928 29.674 28.738 0.013 0.000 1.215 254 Q HN 0.531 nan 8.270 nan 0.000 0.478 255 N N -0.513 118.201 118.700 0.023 0.000 2.725 255 N HA -0.171 4.569 4.740 0.000 0.000 0.251 255 N C -1.804 173.722 175.510 0.027 0.000 1.031 255 N CA 0.222 53.284 53.050 0.020 0.000 0.720 255 N CB -0.817 37.679 38.487 0.015 0.000 0.930 255 N HN 0.311 nan 8.380 nan 0.000 0.543 256 V N 0.348 120.282 119.914 0.035 0.000 2.394 256 V HA 0.625 4.745 4.120 0.000 0.000 0.282 256 V C 1.596 177.713 176.094 0.038 0.000 1.031 256 V CA -0.371 61.954 62.300 0.042 0.000 0.881 256 V CB 1.322 33.179 31.823 0.055 0.000 0.982 256 V HN 0.430 nan 8.190 nan 0.000 0.451 257 G N 4.550 113.374 108.800 0.039 0.000 2.353 257 G HA2 0.323 4.283 3.960 0.000 0.000 0.239 257 G HA3 0.323 4.283 3.960 0.000 0.000 0.239 257 G C 0.217 175.149 174.900 0.053 0.000 1.295 257 G CA -0.230 44.899 45.100 0.048 0.000 0.884 257 G HN 0.611 nan 8.290 nan 0.000 0.537 258 I N 1.951 122.550 120.570 0.049 0.000 3.707 258 I HA 0.087 4.258 4.170 0.000 0.000 0.330 258 I C 0.870 177.009 176.117 0.037 0.000 1.572 258 I CA -0.868 60.455 61.300 0.039 0.000 1.104 258 I CB -0.706 37.309 38.000 0.026 0.000 1.240 258 I HN 0.542 nan 8.210 nan 0.000 0.475 259 N N 2.362 121.098 118.700 0.060 0.000 2.359 259 N HA -0.130 4.610 4.740 0.000 0.000 0.261 259 N C 1.539 177.054 175.510 0.010 0.000 1.267 259 N CA 0.263 53.337 53.050 0.041 0.000 0.864 259 N CB 1.054 39.588 38.487 0.077 0.000 1.063 259 N HN 0.138 nan 8.380 nan 0.000 0.474 260 E N 1.911 122.102 120.200 -0.015 0.000 2.209 260 E HA -0.206 4.144 4.350 0.000 0.000 0.196 260 E C 1.003 177.583 176.600 -0.033 0.000 0.993 260 E CA 1.576 57.960 56.400 -0.028 0.000 0.819 260 E CB -0.127 29.545 29.700 -0.047 0.000 0.745 260 E HN 0.842 nan 8.360 nan 0.000 0.477 261 T N -1.889 112.637 114.554 -0.047 0.000 3.215 261 T HA 0.097 4.447 4.350 0.000 0.000 0.254 261 T C 1.349 176.036 174.700 -0.023 0.000 1.149 261 T CA 0.054 62.128 62.100 -0.044 0.000 1.042 261 T CB 0.109 68.931 68.868 -0.076 0.000 0.966 261 T HN -0.041 nan 8.240 nan 0.000 0.534 262 R N 0.447 120.946 120.500 -0.000 0.000 2.541 262 R HA 0.152 4.492 4.340 0.000 0.000 0.332 262 R C 1.449 177.763 176.300 0.024 0.000 0.951 262 R CA 0.746 56.866 56.100 0.032 0.000 1.136 262 R CB 0.070 30.424 30.300 0.089 0.000 1.449 262 R HN 0.610 nan 8.270 nan 0.000 0.531 263 T N -2.388 112.172 114.554 0.011 0.000 3.324 263 T HA 0.109 4.459 4.350 0.000 0.000 0.250 263 T C 1.701 176.400 174.700 -0.002 0.000 1.059 263 T CA 0.430 62.534 62.100 0.007 0.000 0.951 263 T CB 0.416 69.287 68.868 0.005 0.000 1.030 263 T HN 0.152 nan 8.240 nan 0.000 0.576 264 G N 2.262 111.060 108.800 -0.003 0.000 2.513 264 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 264 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 264 G C 1.264 176.155 174.900 -0.014 0.000 1.160 264 G CA 0.862 45.957 45.100 -0.008 0.000 0.767 264 G HN 0.608 nan 8.290 nan 0.000 0.571 265 I N 0.460 121.017 120.570 -0.021 0.000 2.423 265 I HA -0.126 4.044 4.170 0.000 0.000 0.254 265 I C 2.492 178.600 176.117 -0.016 0.000 1.151 265 I CA 0.801 62.084 61.300 -0.028 0.000 1.421 265 I CB -0.034 37.937 38.000 -0.049 0.000 1.079 265 I HN 0.214 nan 8.210 nan 0.000 0.431 266 I N 0.599 121.165 120.570 -0.008 0.000 2.252 266 I HA -0.280 3.890 4.170 0.000 0.000 0.245 266 I C 1.931 178.047 176.117 -0.002 0.000 1.102 266 I CA 1.208 62.508 61.300 -0.001 0.000 1.385 266 I CB -0.603 37.399 38.000 0.004 0.000 1.064 266 I HN 0.238 nan 8.210 nan 0.000 0.414 267 D N 0.642 121.039 120.400 -0.005 0.000 2.144 267 D HA -0.121 4.519 4.640 0.000 0.000 0.199 267 D C 2.376 178.673 176.300 -0.006 0.000 0.984 267 D CA 1.071 55.068 54.000 -0.005 0.000 0.834 267 D CB -0.264 40.532 40.800 -0.006 0.000 0.955 267 D HN 0.161 nan 8.370 nan 0.000 0.465 268 V N 1.361 121.270 119.914 -0.008 0.000 2.307 268 V HA -0.198 3.922 4.120 0.000 0.000 0.245 268 V C 2.561 178.651 176.094 -0.007 0.000 1.045 268 V CA 1.038 63.332 62.300 -0.010 0.000 1.024 268 V CB -0.329 31.484 31.823 -0.016 0.000 0.651 268 V HN 0.165 nan 8.190 nan 0.000 0.449 269 I N -0.562 120.004 120.570 -0.005 0.000 2.208 269 I HA -0.263 3.907 4.170 0.000 0.000 0.245 269 I C 2.758 178.876 176.117 0.002 0.000 1.097 269 I CA 1.433 62.733 61.300 -0.000 0.000 1.363 269 I CB -0.315 37.688 38.000 0.005 0.000 1.051 269 I HN 0.206 nan 8.210 nan 0.000 0.413 270 R N 0.891 121.392 120.500 0.002 0.000 2.066 270 R HA -0.068 4.272 4.340 0.000 0.000 0.232 270 R C 2.404 178.704 176.300 0.001 0.000 1.131 270 R CA 1.637 57.738 56.100 0.002 0.000 0.955 270 R CB -0.921 29.380 30.300 0.001 0.000 0.851 270 R HN 0.366 nan 8.270 nan 0.000 0.432 271 A N 0.207 123.026 122.820 -0.001 0.000 1.948 271 A HA -0.198 4.122 4.320 0.000 0.000 0.220 271 A C 2.013 179.597 177.584 -0.001 0.000 1.177 271 A CA 1.865 53.902 52.037 -0.001 0.000 0.636 271 A CB -0.497 18.501 19.000 -0.003 0.000 0.815 271 A HN 0.282 nan 8.150 nan 0.000 0.449 272 M N -1.637 117.963 119.600 -0.001 0.000 2.595 272 M HA 0.160 4.640 4.480 0.000 0.000 0.248 272 M C 1.300 177.601 176.300 0.002 0.000 1.119 272 M CA 0.809 56.109 55.300 0.000 0.000 1.079 272 M CB 0.150 32.750 32.600 -0.001 0.000 1.472 272 M HN 0.657 nan 8.290 nan 0.000 0.501 273 G N 0.852 109.654 108.800 0.003 0.000 2.132 273 G HA2 -0.162 3.798 3.960 0.000 0.000 0.228 273 G HA3 -0.162 3.798 3.960 0.000 0.000 0.228 273 G C 0.202 175.106 174.900 0.006 0.000 1.000 273 G CA -0.248 44.854 45.100 0.004 0.000 0.693 273 G HN 0.631 nan 8.290 nan 0.000 0.515 274 G N -0.222 108.583 108.800 0.008 0.000 2.467 274 G HA2 0.499 4.459 3.960 0.000 0.000 0.257 274 G HA3 0.499 4.459 3.960 0.000 0.000 0.257 274 G C 0.173 175.081 174.900 0.014 0.000 1.227 274 G CA -0.508 44.599 45.100 0.012 0.000 0.835 274 G HN 0.405 nan 8.290 nan 0.000 0.556 275 K N 0.838 121.248 120.400 0.016 0.000 2.315 275 K HA 0.273 4.593 4.320 0.000 0.000 0.291 275 K C -0.810 175.804 176.600 0.023 0.000 1.074 275 K CA -0.292 56.006 56.287 0.017 0.000 0.936 275 K CB 0.904 33.413 32.500 0.016 0.000 1.049 275 K HN 0.226 nan 8.250 nan 0.000 0.471 276 L N 2.355 123.590 121.223 0.021 0.000 2.409 276 L HA 0.340 4.680 4.340 0.000 0.000 0.272 276 L C -1.166 175.717 176.870 0.022 0.000 0.980 276 L CA -0.290 54.565 54.840 0.025 0.000 0.826 276 L CB 1.923 43.996 42.059 0.024 0.000 1.268 276 L HN 0.587 nan 8.230 nan 0.000 0.407 277 E N 5.057 125.272 120.200 0.025 0.000 2.187 277 E HA 0.544 4.894 4.350 0.000 0.000 0.268 277 E C -1.470 175.144 176.600 0.023 0.000 0.896 277 E CA -0.649 55.764 56.400 0.021 0.000 0.766 277 E CB 1.504 31.216 29.700 0.021 0.000 1.142 277 E HN 0.695 nan 8.360 nan 0.000 0.408 278 I N 4.041 124.622 120.570 0.018 0.000 2.378 278 I HA 0.332 4.502 4.170 0.000 0.000 0.291 278 I C 0.102 176.228 176.117 0.015 0.000 0.992 278 I CA -0.371 60.940 61.300 0.018 0.000 1.154 278 I CB 1.732 39.742 38.000 0.016 0.000 1.315 278 I HN 0.591 nan 8.210 nan 0.000 0.448 279 T N 0.628 115.191 114.554 0.016 0.000 2.696 279 T HA 0.383 4.733 4.350 0.000 0.000 0.291 279 T C -0.302 174.405 174.700 0.012 0.000 1.095 279 T CA -0.690 61.417 62.100 0.012 0.000 1.026 279 T CB 1.752 70.627 68.868 0.013 0.000 1.390 279 T HN 0.515 nan 8.240 nan 0.000 0.513 280 E N 0.467 120.672 120.200 0.008 0.000 2.269 280 E HA -0.134 4.216 4.350 0.000 0.000 0.223 280 E C -0.292 176.312 176.600 0.006 0.000 1.244 280 E CA 0.238 56.641 56.400 0.006 0.000 0.713 280 E CB -1.533 28.172 29.700 0.007 0.000 1.178 280 E HN 0.605 nan 8.360 nan 0.000 0.370 281 I N 1.307 121.880 120.570 0.006 0.000 2.598 281 I HA 0.009 4.179 4.170 0.000 0.000 0.284 281 I C 0.933 177.051 176.117 0.002 0.000 1.140 281 I CA 0.271 61.574 61.300 0.005 0.000 1.420 281 I CB 0.435 38.437 38.000 0.004 0.000 1.387 281 I HN -0.025 nan 8.210 nan 0.000 0.553 282 D N 9.331 129.733 120.400 0.003 0.000 2.460 282 D HA 0.331 4.971 4.640 0.000 0.000 0.232 282 D C -1.890 174.410 176.300 -0.000 0.000 1.079 282 D CA -2.195 51.805 54.000 -0.000 0.000 0.864 282 D CB 1.743 42.542 40.800 -0.001 0.000 1.048 282 D HN 0.142 nan 8.370 nan 0.000 0.523 283 P HA -0.117 nan 4.420 nan 0.000 0.223 283 P C 1.211 178.508 177.300 -0.004 0.000 1.144 283 P CA 0.499 63.597 63.100 -0.003 0.000 0.783 283 P CB 0.524 32.221 31.700 -0.006 0.000 0.771 284 V N 0.391 120.301 119.914 -0.006 0.000 2.278 284 V HA -0.096 4.024 4.120 0.000 0.000 0.231 284 V C 2.370 178.462 176.094 -0.004 0.000 1.048 284 V CA 2.009 64.303 62.300 -0.009 0.000 1.015 284 V CB -1.751 30.063 31.823 -0.015 0.000 0.652 284 V HN 0.021 nan 8.190 nan 0.000 0.466 285 A N -1.229 121.589 122.820 -0.003 0.000 2.178 285 A HA -0.106 4.214 4.320 0.000 0.000 0.218 285 A C 1.024 178.618 177.584 0.017 0.000 1.157 285 A CA 0.797 52.837 52.037 0.005 0.000 0.689 285 A CB -0.436 18.565 19.000 0.001 0.000 0.787 285 A HN 0.562 nan 8.150 nan 0.000 0.465 286 K N -0.283 120.125 120.400 0.015 0.000 3.353 286 K HA -0.100 4.220 4.320 0.000 0.000 0.272 286 K C -0.629 175.987 176.600 0.026 0.000 1.071 286 K CA 0.953 57.253 56.287 0.022 0.000 0.789 286 K CB -2.230 30.291 32.500 0.034 0.000 1.325 286 K HN 0.499 nan 8.250 nan 0.000 0.464 287 S N -0.978 114.733 115.700 0.019 0.000 2.651 287 S HA 0.938 5.408 4.470 0.000 0.000 0.279 287 S C -0.907 173.703 174.600 0.017 0.000 1.148 287 S CA -0.225 57.987 58.200 0.021 0.000 0.837 287 S CB 2.560 65.770 63.200 0.018 0.000 1.138 287 S HN 0.703 nan 8.310 nan 0.000 0.478 288 A N 0.388 123.220 122.820 0.021 0.000 2.483 288 A HA 0.739 5.059 4.320 0.000 0.000 0.294 288 A C -1.267 176.332 177.584 0.024 0.000 1.077 288 A CA -0.699 51.349 52.037 0.019 0.000 0.633 288 A CB 0.674 19.685 19.000 0.018 0.000 1.318 288 A HN 0.545 nan 8.150 nan 0.000 0.455 289 T N 1.157 115.725 114.554 0.023 0.000 2.799 289 T HA 0.569 4.919 4.350 0.000 0.000 0.286 289 T C -0.971 173.750 174.700 0.033 0.000 0.973 289 T CA -0.046 62.071 62.100 0.028 0.000 1.035 289 T CB 0.404 69.285 68.868 0.022 0.000 0.932 289 T HN 0.372 nan 8.240 nan 0.000 0.469 290 L N 4.679 125.929 121.223 0.045 0.000 2.305 290 L HA 0.570 4.910 4.340 0.000 0.000 0.284 290 L C -0.255 176.649 176.870 0.057 0.000 1.013 290 L CA -0.374 54.496 54.840 0.050 0.000 0.819 290 L CB 1.074 43.170 42.059 0.061 0.000 1.227 290 L HN 0.603 nan 8.230 nan 0.000 0.417 291 I N 3.762 124.361 120.570 0.049 0.000 2.433 291 I HA 0.653 4.823 4.170 0.000 0.000 0.292 291 I C -0.476 175.673 176.117 0.054 0.000 1.001 291 I CA -0.913 60.417 61.300 0.051 0.000 1.119 291 I CB 2.249 40.272 38.000 0.040 0.000 1.289 291 I HN 0.300 nan 8.210 nan 0.000 0.438 292 V N 6.329 126.282 119.914 0.065 0.000 3.078 292 V HA 0.685 4.805 4.120 0.000 0.000 0.311 292 V C -1.423 174.707 176.094 0.062 0.000 1.138 292 V CA -0.096 62.242 62.300 0.063 0.000 1.007 292 V CB 2.509 34.379 31.823 0.079 0.000 1.045 292 V HN 0.970 nan 8.190 nan 0.000 0.432 293 E N 2.336 122.564 120.200 0.048 0.000 2.392 293 E HA 0.502 4.852 4.350 0.000 0.000 0.279 293 E C -1.062 175.554 176.600 0.026 0.000 0.964 293 E CA -0.848 55.574 56.400 0.037 0.000 0.777 293 E CB 1.716 31.430 29.700 0.023 0.000 1.249 293 E HN 0.518 nan 8.360 nan 0.000 0.449 294 S N 1.259 116.968 115.700 0.014 0.000 2.953 294 S HA 0.087 4.557 4.470 0.000 0.000 0.348 294 S C -0.495 174.109 174.600 0.006 0.000 1.215 294 S CA 0.392 58.596 58.200 0.006 0.000 1.019 294 S CB -0.148 63.042 63.200 -0.017 0.000 0.726 294 S HN 0.484 nan 8.310 nan 0.000 0.503 295 S N 1.516 117.222 115.700 0.010 0.000 2.579 295 S HA 0.378 4.848 4.470 0.000 0.000 0.272 295 S C -1.458 173.147 174.600 0.007 0.000 1.141 295 S CA -1.094 57.111 58.200 0.008 0.000 0.843 295 S CB 1.441 64.648 63.200 0.012 0.000 1.122 295 S HN 0.641 nan 8.310 nan 0.000 0.468 296 D N 2.092 122.495 120.400 0.005 0.000 2.274 296 D HA 0.413 5.053 4.640 0.000 0.000 0.239 296 D C -0.553 175.750 176.300 0.005 0.000 1.104 296 D CA -0.272 53.730 54.000 0.005 0.000 0.840 296 D CB 0.908 41.710 40.800 0.003 0.000 1.100 296 D HN 0.148 nan 8.370 nan 0.000 0.477 297 L N 1.636 122.862 121.223 0.005 0.000 2.332 297 L HA 0.504 4.844 4.340 0.000 0.000 0.269 297 L C 0.546 177.418 176.870 0.003 0.000 1.016 297 L CA -0.624 54.218 54.840 0.004 0.000 0.809 297 L CB 1.032 43.094 42.059 0.005 0.000 1.280 297 L HN 0.153 nan 8.230 nan 0.000 0.447 298 K N -0.019 120.382 120.400 0.002 0.000 2.371 298 K HA 0.561 4.881 4.320 0.000 0.000 0.251 298 K C 0.001 176.601 176.600 -0.000 0.000 0.934 298 K CA -0.788 55.499 56.287 0.001 0.000 0.798 298 K CB 2.083 34.584 32.500 0.001 0.000 1.204 298 K HN 0.735 nan 8.250 nan 0.000 0.427 299 G N 0.579 109.378 108.800 -0.000 0.000 2.720 299 G HA2 0.195 4.155 3.960 0.000 0.000 0.237 299 G HA3 0.195 4.155 3.960 0.000 0.000 0.237 299 G C -0.265 174.634 174.900 -0.002 0.000 1.239 299 G CA 0.402 45.501 45.100 -0.002 0.000 0.847 299 G HN 0.456 nan 8.290 nan 0.000 0.593 300 T N -1.324 113.228 114.554 -0.003 0.000 2.769 300 T HA 0.443 4.793 4.350 0.000 0.000 0.306 300 T C -1.367 173.331 174.700 -0.004 0.000 1.400 300 T CA -0.644 61.454 62.100 -0.003 0.000 1.007 300 T CB 1.733 70.599 68.868 -0.004 0.000 1.392 300 T HN 0.627 nan 8.240 nan 0.000 0.500 301 E N 1.621 121.819 120.200 -0.004 0.000 2.166 301 E HA 0.625 4.975 4.350 0.000 0.000 0.275 301 E C -1.056 175.542 176.600 -0.004 0.000 0.941 301 E CA -0.641 55.757 56.400 -0.004 0.000 0.784 301 E CB 0.826 30.525 29.700 -0.002 0.000 1.115 301 E HN 0.510 nan 8.360 nan 0.000 0.399 302 I N 5.989 126.556 120.570 -0.005 0.000 2.439 302 I HA 0.369 4.539 4.170 0.000 0.000 0.283 302 I C -0.341 175.774 176.117 -0.004 0.000 1.023 302 I CA -0.631 60.666 61.300 -0.005 0.000 1.100 302 I CB 0.766 38.761 38.000 -0.009 0.000 1.238 302 I HN 0.690 nan 8.210 nan 0.000 0.445 303 C N 2.656 121.955 119.300 -0.001 0.000 3.266 303 C HA 0.939 5.399 4.460 0.000 0.000 0.369 303 C C 0.895 175.887 174.990 0.003 0.000 1.580 303 C CA 0.032 59.050 59.018 -0.000 0.000 1.165 303 C CB 0.800 28.540 27.740 -0.001 0.000 1.835 303 C HN 1.145 nan 8.230 nan 0.000 0.433 304 G N 0.889 109.691 108.800 0.004 0.000 2.596 304 G HA2 0.111 4.071 3.960 0.000 0.000 0.295 304 G HA3 0.111 4.071 3.960 0.000 0.000 0.295 304 G C 1.197 176.106 174.900 0.014 0.000 1.240 304 G CA 1.886 46.990 45.100 0.008 0.000 0.985 304 G HN 2.602 nan 8.290 nan 0.000 0.555 305 A N -1.139 121.696 122.820 0.025 0.000 2.131 305 A HA 0.189 4.509 4.320 0.000 0.000 0.220 305 A C 2.452 180.058 177.584 0.037 0.000 1.158 305 A CA 2.475 54.538 52.037 0.043 0.000 0.665 305 A CB -0.266 18.774 19.000 0.068 0.000 0.795 305 A HN 1.604 nan 8.150 nan 0.000 0.460 306 L N -0.355 120.880 121.223 0.021 0.000 2.156 306 L HA -0.062 4.278 4.340 0.000 0.000 0.208 306 L C 1.974 178.851 176.870 0.011 0.000 1.095 306 L CA 1.238 56.086 54.840 0.013 0.000 0.770 306 L CB -0.378 41.684 42.059 0.005 0.000 0.914 306 L HN 0.299 nan 8.230 nan 0.000 0.439 307 I N 1.398 121.974 120.570 0.010 0.000 2.087 307 I HA -0.223 3.947 4.170 0.000 0.000 0.240 307 I C -0.177 175.946 176.117 0.011 0.000 1.054 307 I CA 1.909 63.212 61.300 0.007 0.000 1.311 307 I CB -2.989 35.014 38.000 0.005 0.000 1.024 307 I HN 0.290 nan 8.210 nan 0.000 0.402 308 P HA -0.135 nan 4.420 nan 0.000 0.225 308 P C 1.558 178.872 177.300 0.024 0.000 1.148 308 P CA 1.389 64.503 63.100 0.023 0.000 0.779 308 P CB -0.202 31.515 31.700 0.029 0.000 0.780 309 R N -0.361 120.151 120.500 0.020 0.000 2.200 309 R HA 0.050 4.390 4.340 0.000 0.000 0.208 309 R C 1.068 177.372 176.300 0.007 0.000 1.033 309 R CA 0.845 56.953 56.100 0.014 0.000 1.000 309 R CB -0.218 30.087 30.300 0.009 0.000 0.906 309 R HN 0.258 nan 8.270 nan 0.000 0.462 310 L N -2.343 118.881 121.223 0.001 0.000 3.358 310 L HA 0.400 4.740 4.340 0.000 0.000 0.301 310 L C -0.017 176.844 176.870 -0.015 0.000 1.276 310 L CA -0.636 54.197 54.840 -0.012 0.000 1.028 310 L CB -0.180 41.866 42.059 -0.022 0.000 1.421 310 L HN -0.193 nan 8.230 nan 0.000 0.604 311 I N 1.744 122.313 120.570 -0.000 0.000 2.692 311 I HA 0.282 4.452 4.170 0.000 0.000 0.284 311 I C 0.668 176.784 176.117 -0.000 0.000 1.159 311 I CA 1.370 62.671 61.300 0.001 0.000 1.423 311 I CB 0.179 38.188 38.000 0.015 0.000 1.380 311 I HN 0.466 nan 8.210 nan 0.000 0.580 312 D N 2.752 123.145 120.400 -0.012 0.000 1.921 312 D HA -0.177 4.463 4.640 0.000 0.000 0.182 312 D C 0.993 177.244 176.300 -0.082 0.000 1.254 312 D CA 1.351 55.339 54.000 -0.020 0.000 1.227 312 D CB -0.728 40.083 40.800 0.019 0.000 1.296 312 D HN 0.682 nan 8.370 nan 0.000 0.577 313 E N 0.112 120.256 120.200 -0.093 0.000 2.474 313 E HA 0.174 4.524 4.350 0.000 0.000 0.194 313 E C 1.919 178.444 176.600 -0.125 0.000 1.041 313 E CA -0.043 56.264 56.400 -0.155 0.000 0.874 313 E CB 0.093 29.712 29.700 -0.135 0.000 0.914 313 E HN 0.232 nan 8.360 nan 0.000 0.498 314 L N 0.901 122.077 121.223 -0.078 0.000 2.042 314 L HA -0.110 4.230 4.340 0.000 0.000 0.210 314 L C -0.743 176.090 176.870 -0.061 0.000 1.076 314 L CA 1.857 56.662 54.840 -0.058 0.000 0.749 314 L CB -1.977 40.060 42.059 -0.036 0.000 0.893 314 L HN 0.127 nan 8.230 nan 0.000 0.432 315 P HA -0.153 nan 4.420 nan 0.000 0.215 315 P C 2.008 179.274 177.300 -0.057 0.000 1.157 315 P CA 1.489 64.559 63.100 -0.049 0.000 0.868 315 P CB -0.062 31.612 31.700 -0.043 0.000 0.788 316 I N -4.086 116.414 120.570 -0.116 0.000 2.439 316 I HA -0.108 4.062 4.170 0.000 0.000 0.251 316 I C 2.072 178.133 176.117 -0.093 0.000 1.139 316 I CA 1.513 62.736 61.300 -0.128 0.000 1.438 316 I CB -0.933 36.874 38.000 -0.322 0.000 1.085 316 I HN -0.176 nan 8.210 nan 0.000 0.427 317 I N 1.853 122.366 120.570 -0.095 0.000 2.493 317 I HA -0.174 3.996 4.170 0.000 0.000 0.254 317 I C 2.923 179.017 176.117 -0.039 0.000 1.160 317 I CA 1.068 62.331 61.300 -0.062 0.000 1.445 317 I CB -0.379 37.586 38.000 -0.059 0.000 1.086 317 I HN 0.330 nan 8.210 nan 0.000 0.433 318 A N 0.786 123.584 122.820 -0.037 0.000 1.902 318 A HA -0.185 4.135 4.320 0.000 0.000 0.217 318 A C 2.369 179.943 177.584 -0.017 0.000 1.181 318 A CA 1.268 53.291 52.037 -0.023 0.000 0.623 318 A CB -0.694 18.294 19.000 -0.019 0.000 0.818 318 A HN 0.423 nan 8.150 nan 0.000 0.443 319 L N -0.971 120.241 121.223 -0.017 0.000 2.056 319 L HA -0.132 4.208 4.340 0.000 0.000 0.207 319 L C 2.501 179.367 176.870 -0.007 0.000 1.078 319 L CA 1.762 56.597 54.840 -0.008 0.000 0.749 319 L CB -0.320 41.740 42.059 0.001 0.000 0.901 319 L HN 0.469 nan 8.230 nan 0.000 0.433 320 L N 0.474 121.690 121.223 -0.012 0.000 2.042 320 L HA -0.186 4.154 4.340 0.000 0.000 0.210 320 L C 2.592 179.459 176.870 -0.006 0.000 1.076 320 L CA 2.131 56.966 54.840 -0.008 0.000 0.749 320 L CB -0.732 41.317 42.059 -0.016 0.000 0.893 320 L HN 0.239 nan 8.230 nan 0.000 0.432 321 A N -1.972 120.841 122.820 -0.010 0.000 1.972 321 A HA -0.183 4.137 4.320 0.000 0.000 0.219 321 A C 2.244 179.824 177.584 -0.005 0.000 1.169 321 A CA 2.022 54.054 52.037 -0.008 0.000 0.635 321 A CB -1.111 17.883 19.000 -0.010 0.000 0.810 321 A HN 0.507 nan 8.150 nan 0.000 0.446 322 T N 0.057 114.607 114.554 -0.007 0.000 2.929 322 T HA -0.095 4.255 4.350 0.000 0.000 0.271 322 T C 1.631 176.329 174.700 -0.003 0.000 1.085 322 T CA 1.463 63.559 62.100 -0.007 0.000 1.125 322 T CB -0.145 68.716 68.868 -0.011 0.000 0.874 322 T HN 0.472 nan 8.240 nan 0.000 0.494 323 Q N -0.079 119.721 119.800 -0.000 0.000 2.319 323 Q HA 0.411 4.751 4.340 0.000 0.000 0.202 323 Q C 0.660 176.662 176.000 0.004 0.000 0.896 323 Q CA -0.086 55.719 55.803 0.004 0.000 0.942 323 Q CB 0.215 28.958 28.738 0.008 0.000 1.083 323 Q HN 0.482 nan 8.270 nan 0.000 0.510 324 A N 0.977 123.798 122.820 0.002 0.000 2.316 324 A HA 0.365 4.685 4.320 0.000 0.000 0.284 324 A C -0.133 177.452 177.584 0.002 0.000 1.115 324 A CA -0.358 51.680 52.037 0.002 0.000 0.812 324 A CB 0.560 19.560 19.000 0.000 0.000 1.064 324 A HN 0.022 nan 8.150 nan 0.000 0.489 325 Q N 0.421 120.222 119.800 0.002 0.000 2.295 325 Q HA 0.499 4.839 4.340 0.000 0.000 0.259 325 Q C 0.585 176.586 176.000 0.002 0.000 0.976 325 Q CA 1.619 57.424 55.803 0.003 0.000 0.923 325 Q CB 0.588 29.328 28.738 0.003 0.000 1.185 325 Q HN 1.905 nan 8.270 nan 0.000 0.410 326 G N 1.080 109.881 108.800 0.002 0.000 2.582 326 G HA2 -0.141 3.819 3.960 0.000 0.000 0.222 326 G HA3 -0.141 3.819 3.960 0.000 0.000 0.222 326 G C -1.306 173.594 174.900 0.001 0.000 1.311 326 G CA -0.615 44.486 45.100 0.002 0.000 0.915 326 G HN 0.646 nan 8.290 nan 0.000 0.528 327 V N 0.382 120.296 119.914 0.000 0.000 2.481 327 V HA 0.729 4.849 4.120 0.000 0.000 0.286 327 V C 0.782 176.875 176.094 -0.002 0.000 1.042 327 V CA 0.442 62.741 62.300 -0.000 0.000 0.928 327 V CB 1.514 33.337 31.823 -0.000 0.000 0.986 327 V HN 1.308 nan 8.190 nan 0.000 0.462 328 T N 4.156 118.709 114.554 -0.003 0.000 2.824 328 T HA 0.662 5.012 4.350 0.000 0.000 0.282 328 T C -1.020 173.677 174.700 -0.004 0.000 0.993 328 T CA -0.367 61.730 62.100 -0.004 0.000 0.967 328 T CB 1.290 70.155 68.868 -0.006 0.000 0.960 328 T HN 0.378 nan 8.240 nan 0.000 0.441 329 V N 6.689 126.600 119.914 -0.004 0.000 2.513 329 V HA 0.589 4.709 4.120 0.000 0.000 0.299 329 V C -0.195 175.896 176.094 -0.006 0.000 1.035 329 V CA -0.814 61.484 62.300 -0.004 0.000 0.889 329 V CB 1.619 33.441 31.823 -0.003 0.000 0.988 329 V HN 0.835 nan 8.190 nan 0.000 0.440 330 I N 5.793 126.359 120.570 -0.006 0.000 2.418 330 I HA 0.560 4.730 4.170 0.000 0.000 0.287 330 I C -0.190 175.923 176.117 -0.006 0.000 1.008 330 I CA -0.418 60.878 61.300 -0.007 0.000 1.104 330 I CB 1.487 39.481 38.000 -0.010 0.000 1.264 330 I HN 0.742 nan 8.210 nan 0.000 0.438 331 K N 3.587 123.984 120.400 -0.005 0.000 2.469 331 K HA 0.548 4.868 4.320 0.000 0.000 0.268 331 K C -0.814 175.784 176.600 -0.004 0.000 1.027 331 K CA -0.789 55.495 56.287 -0.004 0.000 0.893 331 K CB 1.725 34.223 32.500 -0.004 0.000 1.460 331 K HN 0.368 nan 8.250 nan 0.000 0.449 332 D N -1.167 119.231 120.400 -0.003 0.000 3.076 332 D HA -0.176 4.464 4.640 0.000 0.000 0.218 332 D C -0.143 176.156 176.300 -0.002 0.000 1.156 332 D CA 1.523 55.522 54.000 -0.003 0.000 0.921 332 D CB -1.314 39.485 40.800 -0.002 0.000 1.113 332 D HN 0.693 nan 8.370 nan 0.000 0.418 333 A N 0.726 123.544 122.820 -0.003 0.000 2.827 333 A HA 0.203 4.523 4.320 0.000 0.000 0.300 333 A C 1.666 179.248 177.584 -0.003 0.000 1.237 333 A CA -0.178 51.857 52.037 -0.003 0.000 0.964 333 A CB 0.214 19.211 19.000 -0.005 0.000 1.143 333 A HN 0.176 nan 8.150 nan 0.000 0.554 334 E N 0.390 120.589 120.200 -0.003 0.000 2.333 334 E HA -0.196 4.154 4.350 0.000 0.000 0.198 334 E C 0.513 177.113 176.600 -0.001 0.000 1.007 334 E CA 0.711 57.110 56.400 -0.003 0.000 0.845 334 E CB -0.134 29.565 29.700 -0.003 0.000 0.766 334 E HN 0.569 nan 8.360 nan 0.000 0.507 335 E N 1.049 121.250 120.200 0.002 0.000 2.265 335 E HA -0.061 4.289 4.350 0.000 0.000 0.196 335 E C 2.237 178.840 176.600 0.005 0.000 0.996 335 E CA 0.341 56.744 56.400 0.005 0.000 0.832 335 E CB -0.194 29.511 29.700 0.008 0.000 0.756 335 E HN 0.422 nan 8.360 nan 0.000 0.491 336 L N 0.451 121.675 121.223 0.002 0.000 2.187 336 L HA -0.195 4.145 4.340 0.000 0.000 0.213 336 L C 2.262 179.131 176.870 -0.001 0.000 1.100 336 L CA 1.155 55.995 54.840 0.000 0.000 0.765 336 L CB -0.322 41.734 42.059 -0.005 0.000 0.904 336 L HN 0.041 nan 8.230 nan 0.000 0.437 337 K N -0.050 120.348 120.400 -0.003 0.000 2.209 337 K HA -0.105 4.215 4.320 0.000 0.000 0.204 337 K C 1.507 178.104 176.600 -0.005 0.000 1.048 337 K CA 1.372 57.654 56.287 -0.008 0.000 0.940 337 K CB -0.089 32.406 32.500 -0.009 0.000 0.729 337 K HN 0.351 nan 8.250 nan 0.000 0.451 338 V N -1.233 118.682 119.914 0.002 0.000 3.249 338 V HA 0.181 4.301 4.120 0.000 0.000 0.338 338 V C 0.249 176.352 176.094 0.015 0.000 1.363 338 V CA -0.411 61.893 62.300 0.006 0.000 1.205 338 V CB -0.426 31.401 31.823 0.008 0.000 1.164 338 V HN -0.031 nan 8.190 nan 0.000 0.458 339 K N 0.835 121.246 120.400 0.018 0.000 2.627 339 K HA 0.354 4.674 4.320 0.000 0.000 0.269 339 K C 1.293 177.920 176.600 0.043 0.000 1.029 339 K CA -0.194 56.113 56.287 0.034 0.000 1.026 339 K CB 0.442 32.962 32.500 0.034 0.000 1.350 339 K HN 0.147 nan 8.250 nan 0.000 0.506 340 E N 0.380 120.623 120.200 0.072 0.000 2.208 340 E HA -0.164 4.186 4.350 0.000 0.000 0.202 340 E C 0.495 177.136 176.600 0.069 0.000 1.014 340 E CA 1.700 58.153 56.400 0.089 0.000 0.819 340 E CB -0.085 29.705 29.700 0.150 0.000 0.735 340 E HN 0.719 nan 8.360 nan 0.000 0.469 341 T N -3.567 111.016 114.554 0.049 0.000 2.787 341 T HA 0.185 4.535 4.350 0.000 0.000 0.297 341 T C -1.064 173.634 174.700 -0.003 0.000 1.221 341 T CA -1.077 61.035 62.100 0.020 0.000 1.006 341 T CB 1.497 70.394 68.868 0.047 0.000 1.328 341 T HN -0.168 nan 8.240 nan 0.000 0.509 342 D N 0.296 120.675 120.400 -0.036 0.000 2.416 342 D HA 0.158 4.798 4.640 0.000 0.000 0.240 342 D C 1.063 177.351 176.300 -0.021 0.000 1.250 342 D CA -0.224 53.757 54.000 -0.032 0.000 0.967 342 D CB 0.450 41.218 40.800 -0.054 0.000 1.059 342 D HN 0.479 nan 8.370 nan 0.000 0.512 343 R N 2.748 123.244 120.500 -0.007 0.000 2.293 343 R HA -0.019 4.321 4.340 0.000 0.000 0.219 343 R C 1.740 178.037 176.300 -0.005 0.000 1.091 343 R CA 0.559 56.657 56.100 -0.002 0.000 1.004 343 R CB 0.327 30.624 30.300 -0.005 0.000 0.865 343 R HN 0.545 nan 8.270 nan 0.000 0.469 344 I N -0.362 120.202 120.570 -0.010 0.000 2.296 344 I HA -0.209 3.961 4.170 0.000 0.000 0.242 344 I C 2.434 178.546 176.117 -0.009 0.000 1.087 344 I CA 0.924 62.218 61.300 -0.009 0.000 1.393 344 I CB -0.057 37.937 38.000 -0.011 0.000 1.093 344 I HN 0.057 nan 8.210 nan 0.000 0.421 345 Q N 0.755 120.545 119.800 -0.017 0.000 2.079 345 Q HA -0.117 4.223 4.340 0.000 0.000 0.200 345 Q C 2.073 178.069 176.000 -0.008 0.000 0.974 345 Q CA 1.774 57.565 55.803 -0.020 0.000 0.840 345 Q CB -0.214 28.498 28.738 -0.043 0.000 0.898 345 Q HN 0.315 nan 8.270 nan 0.000 0.430 346 V N -0.589 119.321 119.914 -0.007 0.000 2.427 346 V HA -0.189 3.932 4.120 0.000 0.000 0.248 346 V C 2.189 178.320 176.094 0.061 0.000 1.051 346 V CA 1.476 63.802 62.300 0.044 0.000 1.048 346 V CB -0.477 31.389 31.823 0.071 0.000 0.666 346 V HN 0.206 nan 8.190 nan 0.000 0.456 347 V N 0.228 120.162 119.914 0.032 0.000 2.379 347 V HA -0.179 3.941 4.120 0.000 0.000 0.245 347 V C 2.695 178.800 176.094 0.019 0.000 1.044 347 V CA 1.792 64.106 62.300 0.023 0.000 1.036 347 V CB -0.966 30.861 31.823 0.006 0.000 0.664 347 V HN 0.537 nan 8.190 nan 0.000 0.453 348 A N 0.150 122.978 122.820 0.014 0.000 1.858 348 A HA -0.256 4.064 4.320 0.000 0.000 0.216 348 A C 2.011 179.607 177.584 0.020 0.000 1.190 348 A CA 2.129 54.173 52.037 0.011 0.000 0.617 348 A CB -0.672 18.332 19.000 0.006 0.000 0.827 348 A HN 0.535 nan 8.150 nan 0.000 0.443 349 D N 0.083 120.502 120.400 0.032 0.000 2.097 349 D HA -0.057 4.583 4.640 0.000 0.000 0.195 349 D C 2.304 178.636 176.300 0.054 0.000 0.989 349 D CA 1.585 55.614 54.000 0.047 0.000 0.827 349 D CB -0.642 40.197 40.800 0.065 0.000 0.966 349 D HN 0.408 nan 8.370 nan 0.000 0.456 350 A N 1.078 123.935 122.820 0.062 0.000 1.859 350 A HA -0.177 4.143 4.320 0.000 0.000 0.217 350 A C 2.448 180.044 177.584 0.019 0.000 1.198 350 A CA 1.323 53.391 52.037 0.051 0.000 0.629 350 A CB -0.985 18.046 19.000 0.052 0.000 0.830 350 A HN 0.221 nan 8.150 nan 0.000 0.446 351 L N -0.561 120.667 121.223 0.008 0.000 2.093 351 L HA -0.157 4.183 4.340 0.000 0.000 0.208 351 L C 2.254 179.106 176.870 -0.030 0.000 1.085 351 L CA 0.992 55.822 54.840 -0.016 0.000 0.755 351 L CB -0.667 41.384 42.059 -0.013 0.000 0.904 351 L HN 0.373 nan 8.230 nan 0.000 0.435 352 N N 0.051 118.748 118.700 -0.006 0.000 2.223 352 N HA -0.150 4.590 4.740 0.000 0.000 0.185 352 N C 2.010 177.525 175.510 0.009 0.000 1.016 352 N CA 1.696 54.746 53.050 0.001 0.000 0.863 352 N CB -0.217 38.282 38.487 0.019 0.000 0.983 352 N HN 0.352 nan 8.380 nan 0.000 0.429 353 S N -0.816 114.897 115.700 0.023 0.000 2.555 353 S HA 0.083 4.553 4.470 0.000 0.000 0.230 353 S C 1.709 176.320 174.600 0.018 0.000 0.978 353 S CA 0.447 58.687 58.200 0.068 0.000 0.934 353 S CB 0.008 63.252 63.200 0.073 0.000 0.766 353 S HN 0.224 nan 8.310 nan 0.000 0.533 354 M N -0.392 119.115 119.600 -0.156 0.000 2.838 354 M HA 0.344 4.824 4.480 0.000 0.000 0.251 354 M C 2.024 177.919 176.300 -0.675 0.000 1.393 354 M CA 1.017 56.076 55.300 -0.401 0.000 1.196 354 M CB 0.551 33.047 32.600 -0.172 0.000 1.276 354 M HN 0.507 nan 8.290 nan 0.000 0.541 355 G N -0.434 108.173 108.800 -0.323 0.000 2.414 355 G HA2 0.581 4.541 3.960 0.000 0.000 0.198 355 G HA3 0.581 4.541 3.960 0.000 0.000 0.198 355 G C 0.254 175.105 174.900 -0.082 0.000 1.399 355 G CA 0.509 45.483 45.100 -0.210 0.000 0.618 355 G HN 0.617 nan 8.290 nan 0.000 1.054 356 A N -0.042 122.745 122.820 -0.056 0.000 6.438 356 A HA 0.245 4.565 4.320 0.000 0.000 0.220 356 A C 0.419 178.000 177.584 -0.005 0.000 2.395 356 A CA 0.769 52.798 52.037 -0.012 0.000 0.685 356 A CB -1.350 17.660 19.000 0.017 0.000 0.853 356 A HN 1.328 nan 8.150 nan 0.000 0.351 357 D N -1.989 118.413 120.400 0.005 0.000 2.956 357 D HA -0.130 4.510 4.640 0.000 0.000 0.223 357 D C -0.451 175.850 176.300 0.002 0.000 1.102 357 D CA 1.643 55.645 54.000 0.005 0.000 0.797 357 D CB -1.323 39.480 40.800 0.004 0.000 1.094 357 D HN 1.049 nan 8.370 nan 0.000 0.438 358 I N 0.496 121.068 120.570 0.002 0.000 2.466 358 I HA 0.216 4.386 4.170 0.000 0.000 0.289 358 I C 0.214 176.333 176.117 0.003 0.000 1.026 358 I CA -0.435 60.866 61.300 0.001 0.000 1.078 358 I CB 2.188 40.188 38.000 -0.001 0.000 1.249 358 I HN -0.243 nan 8.210 nan 0.000 0.429 359 T N 7.124 121.679 114.554 0.002 0.000 2.788 359 T HA 0.355 4.705 4.350 0.000 0.000 0.296 359 T C -2.501 172.199 174.700 -0.000 0.000 1.009 359 T CA -1.350 60.751 62.100 0.002 0.000 0.949 359 T CB 1.380 70.249 68.868 0.002 0.000 0.946 359 T HN 0.220 nan 8.240 nan 0.000 0.453 360 P HA 0.314 nan 4.420 nan 0.000 0.268 360 P C -0.355 176.943 177.300 -0.003 0.000 1.205 360 P CA -0.063 63.036 63.100 -0.003 0.000 0.771 360 P CB 0.620 32.318 31.700 -0.004 0.000 0.858 361 T N 0.938 115.490 114.554 -0.005 0.000 2.887 361 T HA 0.455 4.805 4.350 0.000 0.000 0.292 361 T C 1.227 175.923 174.700 -0.006 0.000 1.087 361 T CA -0.166 61.931 62.100 -0.004 0.000 1.009 361 T CB 1.613 70.479 68.868 -0.004 0.000 1.203 361 T HN 0.191 nan 8.240 nan 0.000 0.518 362 A N 0.853 123.670 122.820 -0.005 0.000 2.019 362 A HA -0.036 4.284 4.320 0.000 0.000 0.219 362 A C 1.205 178.785 177.584 -0.006 0.000 1.164 362 A CA 1.936 53.970 52.037 -0.006 0.000 0.644 362 A CB -0.403 18.594 19.000 -0.005 0.000 0.805 362 A HN 0.829 nan 8.150 nan 0.000 0.449 363 D N -3.200 117.197 120.400 -0.005 0.000 2.740 363 D HA 0.444 5.084 4.640 0.000 0.000 0.301 363 D C 0.452 176.749 176.300 -0.005 0.000 1.408 363 D CA 0.638 54.635 54.000 -0.005 0.000 0.808 363 D CB -0.154 40.643 40.800 -0.005 0.000 1.128 363 D HN 0.523 nan 8.370 nan 0.000 0.465 364 G N 0.098 108.895 108.800 -0.006 0.000 2.534 364 G HA2 0.404 4.364 3.960 0.000 0.000 0.142 364 G HA3 0.404 4.364 3.960 0.000 0.000 0.142 364 G C -1.387 173.510 174.900 -0.006 0.000 1.178 364 G CA -0.137 44.959 45.100 -0.006 0.000 1.037 364 G HN 0.514 nan 8.290 nan 0.000 0.474 365 M N -1.040 118.557 119.600 -0.006 0.000 2.643 365 M HA 0.765 5.245 4.480 0.000 0.000 0.276 365 M C -2.011 174.286 176.300 -0.005 0.000 1.200 365 M CA -0.914 54.383 55.300 -0.005 0.000 0.863 365 M CB 2.041 34.638 32.600 -0.005 0.000 1.711 365 M HN 0.446 nan 8.290 nan 0.000 0.492 366 I N 2.573 123.141 120.570 -0.003 0.000 2.406 366 I HA 0.556 4.726 4.170 0.000 0.000 0.290 366 I C -1.156 174.960 176.117 -0.002 0.000 0.999 366 I CA -0.745 60.554 61.300 -0.003 0.000 1.124 366 I CB 2.050 40.050 38.000 -0.001 0.000 1.289 366 I HN 0.616 nan 8.210 nan 0.000 0.441 367 I N 6.114 126.682 120.570 -0.003 0.000 2.389 367 I HA 0.329 4.499 4.170 0.000 0.000 0.288 367 I C -0.166 175.950 176.117 -0.002 0.000 0.999 367 I CA -0.694 60.604 61.300 -0.003 0.000 1.129 367 I CB 1.781 39.778 38.000 -0.005 0.000 1.288 367 I HN 0.480 nan 8.210 nan 0.000 0.444 368 K N 5.228 125.628 120.400 -0.000 0.000 2.264 368 K HA 0.498 4.818 4.320 0.000 0.000 0.277 368 K C 0.164 176.765 176.600 0.001 0.000 1.067 368 K CA -0.327 55.961 56.287 0.001 0.000 0.900 368 K CB 1.116 33.617 32.500 0.003 0.000 1.124 368 K HN 0.831 nan 8.250 nan 0.000 0.469 369 G N 2.342 111.142 108.800 0.000 0.000 2.572 369 G HA2 0.228 4.188 3.960 0.000 0.000 0.261 369 G HA3 0.228 4.188 3.960 0.000 0.000 0.261 369 G C -0.606 174.296 174.900 0.002 0.000 1.197 369 G CA -0.165 44.935 45.100 0.000 0.000 0.870 369 G HN 0.655 nan 8.290 nan 0.000 0.548 370 K N -0.572 119.829 120.400 0.002 0.000 3.548 370 K HA -0.142 4.178 4.320 0.000 0.000 0.316 370 K C -0.360 176.242 176.600 0.005 0.000 1.177 370 K CA 0.509 56.798 56.287 0.004 0.000 0.894 370 K CB -1.784 30.719 32.500 0.005 0.000 1.392 370 K HN 0.587 nan 8.250 nan 0.000 0.451 371 S N 0.948 116.648 115.700 0.000 0.000 2.475 371 S HA 0.692 5.162 4.470 0.000 0.000 0.298 371 S C 1.457 176.056 174.600 -0.002 0.000 1.119 371 S CA -0.385 57.814 58.200 -0.002 0.000 1.085 371 S CB 1.809 65.000 63.200 -0.015 0.000 1.028 371 S HN 0.501 nan 8.310 nan 0.000 0.489 372 A N 3.130 125.955 122.820 0.009 0.000 1.858 372 A HA 0.254 4.574 4.320 0.000 0.000 0.216 372 A C 0.547 178.131 177.584 0.001 0.000 1.190 372 A CA 0.862 52.909 52.037 0.016 0.000 0.617 372 A CB -0.836 18.186 19.000 0.036 0.000 0.827 372 A HN 0.875 nan 8.150 nan 0.000 0.443 373 L N -1.976 119.230 121.223 -0.029 0.000 0.602 373 L HA -0.110 4.230 4.340 0.000 0.000 0.358 373 L C -0.593 176.251 176.870 -0.044 0.000 1.004 373 L CA 0.121 54.895 54.840 -0.109 0.000 1.221 373 L CB -1.189 40.830 42.059 -0.068 0.000 0.206 373 L HN 0.986 nan 8.230 nan 0.000 0.151 374 H N 0.461 119.543 119.070 0.021 0.000 2.931 374 H HA 0.806 5.362 4.556 0.000 0.000 0.331 374 H C 0.201 175.541 175.328 0.020 0.000 1.273 374 H CA -0.285 55.774 56.048 0.019 0.000 1.171 374 H CB 0.930 30.702 29.762 0.016 0.000 1.898 374 H HN 0.641 nan 8.280 nan 0.000 0.562 375 G N -0.741 108.225 108.800 0.276 0.000 2.594 375 G HA2 0.522 4.482 3.960 0.000 0.000 0.243 375 G HA3 0.522 4.482 3.960 0.000 0.000 0.243 375 G C -0.559 174.473 174.900 0.221 0.000 1.229 375 G CA 0.229 45.434 45.100 0.176 0.000 0.843 375 G HN 1.059 nan 8.290 nan 0.000 0.578 376 A N 0.723 123.613 122.820 0.116 0.000 2.483 376 A HA 0.769 5.089 4.320 0.000 0.000 0.294 376 A C -0.731 176.882 177.584 0.049 0.000 1.077 376 A CA -0.725 51.369 52.037 0.096 0.000 0.633 376 A CB 0.930 19.993 19.000 0.104 0.000 1.318 376 A HN 0.915 nan 8.150 nan 0.000 0.455 377 R N 0.474 120.994 120.500 0.035 0.000 2.409 377 R HA 0.644 4.984 4.340 0.000 0.000 0.313 377 R C -1.827 174.469 176.300 -0.007 0.000 0.953 377 R CA -0.260 55.845 56.100 0.008 0.000 0.849 377 R CB 1.442 31.743 30.300 0.002 0.000 1.171 377 R HN 0.598 nan 8.270 nan 0.000 0.458 378 V N 4.190 124.089 119.914 -0.026 0.000 2.513 378 V HA 0.349 4.469 4.120 0.000 0.000 0.299 378 V C -0.254 175.758 176.094 -0.136 0.000 1.035 378 V CA -0.902 61.367 62.300 -0.052 0.000 0.889 378 V CB 1.795 33.604 31.823 -0.023 0.000 0.988 378 V HN 0.807 nan 8.190 nan 0.000 0.440 379 N N 2.033 120.569 118.700 -0.274 0.000 2.408 379 N HA 0.252 4.992 4.740 0.000 0.000 0.280 379 N C 0.863 176.048 175.510 -0.542 0.000 1.002 379 N CA -0.406 52.323 53.050 -0.535 0.000 0.907 379 N CB 1.776 39.667 38.487 -0.993 0.000 1.161 379 N HN 0.648 nan 8.380 nan 0.000 0.488 380 T N 2.907 117.273 114.554 -0.313 0.000 2.915 380 T HA -0.056 4.294 4.350 0.000 0.000 0.269 380 T C 0.262 174.975 174.700 0.020 0.000 1.071 380 T CA 0.770 62.803 62.100 -0.111 0.000 1.132 380 T CB -0.487 68.350 68.868 -0.053 0.000 0.878 380 T HN 0.708 nan 8.240 nan 0.000 0.479 381 F N 0.059 120.019 119.950 0.017 0.000 3.084 381 F HA -0.234 4.293 4.527 0.000 0.000 0.286 381 F C 1.323 177.140 175.800 0.028 0.000 0.855 381 F CA 0.342 58.354 58.000 0.020 0.000 1.091 381 F CB -2.145 36.865 39.000 0.016 0.000 1.177 381 F HN 0.368 nan 8.300 nan 0.000 0.542 382 G N 0.065 108.949 108.800 0.139 0.000 2.143 382 G HA2 -0.292 3.668 3.960 0.000 0.000 0.248 382 G HA3 -0.292 3.668 3.960 0.000 0.000 0.248 382 G C -0.353 174.630 174.900 0.139 0.000 0.991 382 G CA 0.155 45.325 45.100 0.117 0.000 0.689 382 G HN 0.562 nan 8.290 nan 0.000 0.522 383 D N 0.238 120.723 120.400 0.142 0.000 2.441 383 D HA 0.347 4.987 4.640 0.000 0.000 0.231 383 D C 1.863 178.224 176.300 0.102 0.000 1.073 383 D CA -0.321 53.773 54.000 0.156 0.000 0.850 383 D CB 0.259 41.119 40.800 0.100 0.000 1.062 383 D HN 0.370 nan 8.370 nan 0.000 0.524 384 H N 4.692 123.755 119.070 -0.012 0.000 2.321 384 H HA -0.157 4.399 4.556 0.000 0.000 0.295 384 H C 1.118 176.364 175.328 -0.137 0.000 1.102 384 H CA 1.153 57.153 56.048 -0.080 0.000 1.266 384 H CB -0.208 29.521 29.762 -0.056 0.000 1.363 384 H HN 0.387 nan 8.280 nan 0.000 0.492 385 R N 0.247 120.391 120.500 -0.593 0.000 2.120 385 R HA -0.022 4.318 4.340 0.000 0.000 0.234 385 R C 2.534 178.753 176.300 -0.134 0.000 1.123 385 R CA 1.031 56.965 56.100 -0.277 0.000 0.975 385 R CB -0.025 30.134 30.300 -0.235 0.000 0.866 385 R HN 0.303 nan 8.270 nan 0.000 0.446 386 I N 0.589 121.090 120.570 -0.115 0.000 2.226 386 I HA -0.140 4.030 4.170 0.000 0.000 0.245 386 I C 2.476 178.538 176.117 -0.091 0.000 1.100 386 I CA 1.556 62.827 61.300 -0.049 0.000 1.374 386 I CB -1.584 36.425 38.000 0.014 0.000 1.057 386 I HN 0.238 nan 8.210 nan 0.000 0.413 387 G N 0.507 109.220 108.800 -0.146 0.000 2.414 387 G HA2 -0.226 3.735 3.960 0.000 0.000 0.215 387 G HA3 -0.226 3.735 3.960 0.000 0.000 0.215 387 G C 1.749 176.441 174.900 -0.346 0.000 1.188 387 G CA 0.423 45.413 45.100 -0.183 0.000 0.783 387 G HN 0.248 nan 8.290 nan 0.000 0.537 388 M N -0.032 119.165 119.600 -0.671 0.000 2.229 388 M HA 0.068 4.548 4.480 0.000 0.000 0.264 388 M C 2.556 178.566 176.300 -0.483 0.000 1.063 388 M CA 1.179 55.777 55.300 -1.171 0.000 1.114 388 M CB -0.269 30.965 32.600 -2.277 0.000 1.387 388 M HN 0.352 nan 8.290 nan 0.000 0.420 389 M N 0.040 119.549 119.600 -0.151 0.000 2.086 389 M HA -0.189 4.291 4.480 0.000 0.000 0.261 389 M C 1.820 178.119 176.300 -0.001 0.000 1.067 389 M CA 1.885 57.208 55.300 0.038 0.000 1.116 389 M CB -0.272 32.356 32.600 0.047 0.000 1.348 389 M HN 0.137 nan 8.290 nan 0.000 0.407 390 T N 1.252 115.788 114.554 -0.030 0.000 2.746 390 T HA -0.084 4.266 4.350 0.000 0.000 0.267 390 T C 1.865 176.588 174.700 0.038 0.000 1.039 390 T CA 1.535 63.637 62.100 0.003 0.000 1.142 390 T CB -0.611 68.256 68.868 -0.003 0.000 0.866 390 T HN 0.618 nan 8.240 nan 0.000 0.444 391 A N 1.710 124.552 122.820 0.038 0.000 1.883 391 A HA -0.089 4.231 4.320 0.000 0.000 0.217 391 A C 2.209 179.889 177.584 0.160 0.000 1.186 391 A CA 1.308 53.443 52.037 0.164 0.000 0.624 391 A CB -0.640 18.525 19.000 0.274 0.000 0.822 391 A HN 0.407 nan 8.150 nan 0.000 0.444 392 I N -0.287 120.352 120.570 0.114 0.000 2.353 392 I HA -0.148 4.022 4.170 0.000 0.000 0.248 392 I C 2.887 179.058 176.117 0.090 0.000 1.119 392 I CA 1.209 62.578 61.300 0.115 0.000 1.417 392 I CB -1.670 36.389 38.000 0.098 0.000 1.078 392 I HN 0.357 nan 8.210 nan 0.000 0.421 393 A N 1.151 124.009 122.820 0.063 0.000 1.902 393 A HA -0.111 4.209 4.320 0.000 0.000 0.217 393 A C 2.559 180.170 177.584 0.046 0.000 1.181 393 A CA 1.842 53.904 52.037 0.042 0.000 0.623 393 A CB -0.770 18.242 19.000 0.020 0.000 0.818 393 A HN 0.387 nan 8.150 nan 0.000 0.443 394 A N -0.180 122.676 122.820 0.060 0.000 2.024 394 A HA -0.076 4.244 4.320 0.000 0.000 0.220 394 A C 2.040 179.664 177.584 0.068 0.000 1.164 394 A CA 1.461 53.536 52.037 0.062 0.000 0.643 394 A CB -0.654 18.393 19.000 0.079 0.000 0.806 394 A HN 0.513 nan 8.150 nan 0.000 0.451 395 L N -0.983 120.289 121.223 0.082 0.000 2.265 395 L HA -0.125 4.215 4.340 0.000 0.000 0.215 395 L C 1.989 178.897 176.870 0.064 0.000 1.117 395 L CA 0.743 55.632 54.840 0.082 0.000 0.782 395 L CB -0.391 41.731 42.059 0.106 0.000 0.914 395 L HN 0.393 nan 8.230 nan 0.000 0.441 396 L N -1.021 120.234 121.223 0.053 0.000 2.529 396 L HA 0.084 4.424 4.340 0.000 0.000 0.223 396 L C 0.647 177.538 176.870 0.036 0.000 1.113 396 L CA -0.336 54.528 54.840 0.041 0.000 0.861 396 L CB 0.145 42.223 42.059 0.032 0.000 1.012 396 L HN -0.066 nan 8.230 nan 0.000 0.461 397 V N 1.340 121.277 119.914 0.039 0.000 2.450 397 V HA -0.009 4.112 4.120 0.000 0.000 0.281 397 V C 1.489 177.611 176.094 0.047 0.000 1.019 397 V CA 0.532 62.859 62.300 0.044 0.000 1.062 397 V CB 0.790 32.643 31.823 0.050 0.000 0.979 397 V HN 0.326 nan 8.190 nan 0.000 0.477 398 A N 4.458 127.307 122.820 0.048 0.000 1.898 398 A HA -0.118 4.202 4.320 0.000 0.000 0.216 398 A C 1.609 179.217 177.584 0.040 0.000 1.181 398 A CA 1.924 53.986 52.037 0.042 0.000 0.620 398 A CB -0.218 18.806 19.000 0.040 0.000 0.819 398 A HN 0.989 nan 8.150 nan 0.000 0.442 399 D N -3.109 117.318 120.400 0.046 0.000 2.212 399 D HA 0.228 4.868 4.640 0.000 0.000 0.311 399 D C 1.320 177.645 176.300 0.041 0.000 1.091 399 D CA 0.423 54.446 54.000 0.038 0.000 0.910 399 D CB -0.997 39.822 40.800 0.032 0.000 1.707 399 D HN 0.382 nan 8.370 nan 0.000 0.522 400 G N -0.306 108.527 108.800 0.056 0.000 2.597 400 G HA2 0.283 4.243 3.960 0.000 0.000 0.283 400 G HA3 0.283 4.243 3.960 0.000 0.000 0.283 400 G C -0.462 174.468 174.900 0.050 0.000 1.319 400 G CA -0.036 45.099 45.100 0.058 0.000 1.054 400 G HN 0.199 nan 8.290 nan 0.000 0.583 401 E N -1.931 118.299 120.200 0.049 0.000 2.256 401 E HA 0.512 4.862 4.350 0.000 0.000 0.268 401 E C -0.910 175.716 176.600 0.043 0.000 0.877 401 E CA -0.494 55.929 56.400 0.038 0.000 0.757 401 E CB 2.062 31.777 29.700 0.025 0.000 1.183 401 E HN 0.243 nan 8.360 nan 0.000 0.418 402 V N 3.881 123.819 119.914 0.039 0.000 2.417 402 V HA 0.468 4.588 4.120 0.000 0.000 0.291 402 V C -0.284 175.825 176.094 0.024 0.000 1.024 402 V CA -0.730 61.592 62.300 0.038 0.000 0.861 402 V CB 1.646 33.496 31.823 0.044 0.000 0.985 402 V HN 0.633 nan 8.190 nan 0.000 0.436 403 E N 3.975 124.184 120.200 0.015 0.000 2.187 403 E HA 0.555 4.905 4.350 0.000 0.000 0.268 403 E C -1.304 175.292 176.600 -0.007 0.000 0.896 403 E CA -0.676 55.724 56.400 -0.000 0.000 0.766 403 E CB 2.986 32.681 29.700 -0.008 0.000 1.142 403 E HN 0.476 nan 8.360 nan 0.000 0.408 404 L N 3.460 124.677 121.223 -0.010 0.000 2.313 404 L HA 0.387 4.727 4.340 0.000 0.000 0.283 404 L C -0.953 175.895 176.870 -0.038 0.000 1.013 404 L CA -0.618 54.212 54.840 -0.017 0.000 0.816 404 L CB 1.143 43.218 42.059 0.028 0.000 1.236 404 L HN 0.513 nan 8.230 nan 0.000 0.419 405 D N 4.436 124.792 120.400 -0.074 0.000 2.268 405 D HA 0.321 4.961 4.640 0.000 0.000 0.249 405 D C 0.019 176.266 176.300 -0.089 0.000 1.008 405 D CA -0.375 53.575 54.000 -0.084 0.000 0.939 405 D CB 1.583 42.314 40.800 -0.115 0.000 1.170 405 D HN 0.430 nan 8.370 nan 0.000 0.468 406 R N 0.347 120.810 120.500 -0.061 0.000 3.416 406 R HA -0.228 4.112 4.340 0.000 0.000 0.263 406 R C 0.737 177.030 176.300 -0.012 0.000 1.053 406 R CA 0.443 56.520 56.100 -0.038 0.000 0.705 406 R CB -1.721 28.543 30.300 -0.062 0.000 1.124 406 R HN 0.505 nan 8.270 nan 0.000 0.444 407 A N 1.259 124.085 122.820 0.011 0.000 2.067 407 A HA -0.171 4.149 4.320 0.000 0.000 0.219 407 A C 2.049 179.687 177.584 0.089 0.000 1.158 407 A CA 1.356 53.432 52.037 0.065 0.000 0.661 407 A CB -0.204 18.861 19.000 0.107 0.000 0.801 407 A HN 0.609 nan 8.150 nan 0.000 0.452 408 E N 0.623 120.861 120.200 0.063 0.000 2.333 408 E HA -0.129 4.221 4.350 0.000 0.000 0.198 408 E C 1.727 178.358 176.600 0.052 0.000 1.007 408 E CA 1.120 57.560 56.400 0.066 0.000 0.845 408 E CB -0.689 29.038 29.700 0.046 0.000 0.766 408 E HN 0.501 nan 8.360 nan 0.000 0.507 409 A N 1.948 124.793 122.820 0.042 0.000 2.024 409 A HA -0.114 4.206 4.320 0.000 0.000 0.220 409 A C 2.332 179.947 177.584 0.051 0.000 1.164 409 A CA 1.223 53.289 52.037 0.048 0.000 0.643 409 A CB -0.747 18.290 19.000 0.061 0.000 0.806 409 A HN 0.297 nan 8.150 nan 0.000 0.451 410 I N 0.340 120.922 120.570 0.020 0.000 2.423 410 I HA -0.275 3.895 4.170 0.000 0.000 0.254 410 I C 1.506 177.629 176.117 0.010 0.000 1.151 410 I CA 0.978 62.255 61.300 -0.039 0.000 1.421 410 I CB -0.506 37.365 38.000 -0.214 0.000 1.079 410 I HN 0.310 nan 8.210 nan 0.000 0.431 411 N N 0.290 119.011 118.700 0.035 0.000 2.519 411 N HA -0.129 4.612 4.740 0.000 0.000 0.186 411 N C 1.719 177.234 175.510 0.009 0.000 1.062 411 N CA 1.034 54.113 53.050 0.048 0.000 0.910 411 N CB -0.439 38.080 38.487 0.053 0.000 0.958 411 N HN 0.311 nan 8.380 nan 0.000 0.445 412 T N -0.269 114.259 114.554 -0.044 0.000 2.759 412 T HA -0.091 4.259 4.350 0.000 0.000 0.269 412 T C 1.775 176.380 174.700 -0.159 0.000 1.042 412 T CA 1.760 63.778 62.100 -0.138 0.000 1.140 412 T CB -0.014 68.685 68.868 -0.282 0.000 0.864 412 T HN 0.516 nan 8.240 nan 0.000 0.455 413 S N -1.767 113.872 115.700 -0.101 0.000 2.744 413 S HA 0.243 4.713 4.470 0.000 0.000 0.265 413 S C 0.029 174.710 174.600 0.135 0.000 1.065 413 S CA -0.745 57.451 58.200 -0.006 0.000 1.191 413 S CB 0.196 63.409 63.200 0.022 0.000 1.150 413 S HN 0.576 nan 8.310 nan 0.000 0.646 414 Y N 1.684 121.990 120.300 0.010 0.000 2.580 414 Y HA 0.336 4.886 4.550 0.000 0.000 0.305 414 Y C -2.700 173.239 175.900 0.064 0.000 1.069 414 Y CA -1.920 56.212 58.100 0.052 0.000 1.193 414 Y CB 1.157 39.642 38.460 0.041 0.000 1.126 414 Y HN 0.080 nan 8.280 nan 0.000 0.610 415 P HA -0.222 nan 4.420 nan 0.000 0.217 415 P C 1.270 178.704 177.300 0.224 0.000 1.151 415 P CA 2.161 65.381 63.100 0.200 0.000 0.849 415 P CB 0.189 31.974 31.700 0.142 0.000 0.787 416 S N -2.697 113.195 115.700 0.320 0.000 2.671 416 S HA 0.037 4.507 4.470 0.000 0.000 0.220 416 S C 1.453 176.134 174.600 0.134 0.000 0.951 416 S CA -0.499 57.854 58.200 0.254 0.000 0.932 416 S CB -1.522 61.840 63.200 0.270 0.000 0.777 416 S HN -0.013 nan 8.310 nan 0.000 0.508 417 F N 2.759 122.502 119.950 -0.345 0.000 2.043 417 F HA -0.168 4.359 4.527 0.000 0.000 0.297 417 F C 1.510 177.072 175.800 -0.396 0.000 1.118 417 F CA 1.552 59.008 58.000 -0.905 0.000 1.202 417 F CB -0.682 37.594 39.000 -1.207 0.000 0.965 417 F HN 0.262 nan 8.300 nan 0.000 0.482 418 F N 0.779 120.631 119.950 -0.164 0.000 2.269 418 F HA -0.157 4.370 4.527 0.000 0.000 0.301 418 F C 2.333 178.038 175.800 -0.159 0.000 1.082 418 F CA 1.457 59.340 58.000 -0.195 0.000 1.360 418 F CB -1.009 37.985 39.000 -0.010 0.000 1.041 418 F HN 0.032 nan 8.300 nan 0.000 0.512 419 D N 0.082 120.516 120.400 0.058 0.000 2.117 419 D HA -0.143 4.497 4.640 0.000 0.000 0.198 419 D C 1.871 178.131 176.300 -0.067 0.000 0.982 419 D CA 1.289 55.302 54.000 0.021 0.000 0.828 419 D CB -0.380 40.450 40.800 0.051 0.000 0.967 419 D HN 0.190 nan 8.370 nan 0.000 0.464 420 D N 0.551 120.885 120.400 -0.111 0.000 2.117 420 D HA -0.100 4.540 4.640 0.000 0.000 0.197 420 D C 2.266 178.305 176.300 -0.435 0.000 0.987 420 D CA 0.150 54.009 54.000 -0.234 0.000 0.829 420 D CB -0.322 40.401 40.800 -0.128 0.000 0.961 420 D HN 0.184 nan 8.370 nan 0.000 0.460 421 L N 1.108 122.102 121.223 -0.382 0.000 1.989 421 L HA -0.204 4.136 4.340 0.000 0.000 0.211 421 L C 2.223 178.980 176.870 -0.188 0.000 1.071 421 L CA 1.545 56.219 54.840 -0.277 0.000 0.749 421 L CB -0.069 41.882 42.059 -0.180 0.000 0.890 421 L HN -0.085 nan 8.230 nan 0.000 0.431 422 E N 0.149 120.288 120.200 -0.103 0.000 2.130 422 E HA -0.224 4.126 4.350 0.000 0.000 0.196 422 E C 2.255 178.809 176.600 -0.078 0.000 0.998 422 E CA 1.600 57.972 56.400 -0.047 0.000 0.806 422 E CB -0.286 29.416 29.700 0.002 0.000 0.738 422 E HN 0.694 nan 8.360 nan 0.000 0.459 423 S N -0.190 115.426 115.700 -0.141 0.000 2.507 423 S HA -0.068 4.403 4.470 0.000 0.000 0.235 423 S C 1.784 176.241 174.600 -0.239 0.000 0.988 423 S CA 0.427 58.532 58.200 -0.159 0.000 0.944 423 S CB 0.006 63.104 63.200 -0.170 0.000 0.762 423 S HN 0.039 nan 8.310 nan 0.000 0.526 424 L N 0.519 121.574 121.223 -0.281 0.000 2.298 424 L HA 0.408 4.748 4.340 0.000 0.000 0.209 424 L C 2.106 178.802 176.870 -0.290 0.000 1.084 424 L CA 0.540 55.189 54.840 -0.319 0.000 0.816 424 L CB -0.850 41.028 42.059 -0.303 0.000 0.967 424 L HN 0.373 nan 8.230 nan 0.000 0.460 425 I N -1.459 118.970 120.570 -0.234 0.000 2.361 425 I HA -0.223 3.947 4.170 0.000 0.000 0.251 425 I C 2.019 177.857 176.117 -0.465 0.000 1.133 425 I CA 1.827 62.945 61.300 -0.303 0.000 1.413 425 I CB -0.231 37.564 38.000 -0.342 0.000 1.073 425 I HN 0.275 nan 8.210 nan 0.000 0.424 426 H N -0.592 118.385 119.070 -0.155 0.000 4.970 426 H HA 0.603 5.159 4.556 0.000 0.000 0.107 426 H C 0.552 175.716 175.328 -0.273 0.000 1.317 426 H CA 0.271 56.239 56.048 -0.135 0.000 0.821 426 H CB -0.592 29.120 29.762 -0.083 0.000 1.632 426 H HN 0.209 nan 8.280 nan 0.000 0.236 427 G N 0.000 108.781 108.800 -0.032 0.000 5.446 427 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 427 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 427 G CA 0.000 45.026 45.100 -0.124 0.000 0.502 427 G HN 0.000 nan 8.290 nan 0.000 0.925