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 1ipj_1_B DATA FIRST_RESID 9 DATA SEQUENCE NNPFYLRSSN SFQTLFENQN GRIRLLQRFN KRSPQLENLR DYRIVQFQSK DATA SEQUENCE PNTILLPHHA DADFLLFVLS GRAILTLVNN DDRDSYNLHP GDAQRIPAGT DATA SEQUENCE TYYLVNPHDH QNLKIIKLAI PVNKPGRYDD FFLSSTQAQQ SYLQGFSHNI DATA SEQUENCE LETSFHSEFE EINRVLLXXX XXXXXXXGVI VELSKEQIRQ LSRRAKSSSR DATA SEQUENCE KTISSEDEPF NLRSRNPIYS NNFGKFFEIT PEKNPQLRDL DIFLSSVDIN DATA SEQUENCE EGALLLPHFN SKAIVILVIN EGDANIELVG IKXXXXXXXX XXXXLEVQRY DATA SEQUENCE RAELSEDDVF VIPAAYPFVV NATSNLNFLA FGINAENNQR NFLAGEKDNV DATA SEQUENCE VRQIERQVQE LAFPGSAQDV ERLLKKQRES YFVDA 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 9 N HA 0.000 nan 4.740 nan 0.000 0.220 9 N C 0.000 175.554 175.510 0.073 0.000 1.280 9 N CA 0.000 53.102 53.050 0.087 0.000 0.885 9 N CB 0.000 38.519 38.487 0.053 0.000 1.341 10 N N 2.758 121.537 118.700 0.133 0.000 2.090 10 N HA -0.079 4.661 4.740 -0.000 0.000 0.287 10 N C -1.172 174.292 175.510 -0.078 0.000 1.383 10 N CA -0.755 52.361 53.050 0.110 0.000 0.899 10 N CB 0.698 39.344 38.487 0.265 0.000 1.251 10 N HN 0.369 nan 8.380 nan 0.000 0.492 11 P HA -0.156 nan 4.420 nan 0.000 0.220 11 P C 0.715 177.629 177.300 -0.644 0.000 1.144 11 P CA 1.336 64.109 63.100 -0.544 0.000 0.800 11 P CB -0.042 31.194 31.700 -0.775 0.000 0.772 12 F N -2.533 117.211 119.950 -0.342 0.000 2.754 12 F HA 0.134 4.661 4.527 -0.000 0.000 0.297 12 F C 1.420 176.877 175.800 -0.571 0.000 1.122 12 F CA -0.488 57.190 58.000 -0.536 0.000 1.400 12 F CB -1.044 37.476 39.000 -0.799 0.000 1.117 12 F HN -0.149 nan 8.300 nan 0.000 0.587 13 Y N 1.966 122.102 120.300 -0.273 0.000 2.365 13 Y HA 0.464 5.014 4.550 -0.000 0.000 0.340 13 Y C -0.583 175.325 175.900 0.012 0.000 1.016 13 Y CA -0.598 57.475 58.100 -0.046 0.000 1.196 13 Y CB 0.331 38.891 38.460 0.166 0.000 1.167 13 Y HN -0.174 nan 8.280 nan 0.000 0.509 14 L N 8.632 129.595 121.223 -0.432 0.000 2.337 14 L HA 0.436 4.776 4.340 -0.000 0.000 0.269 14 L C -0.196 176.363 176.870 -0.519 0.000 1.018 14 L CA -0.535 54.079 54.840 -0.377 0.000 0.876 14 L CB 0.955 42.938 42.059 -0.128 0.000 1.236 14 L HN 0.627 nan 8.230 nan 0.000 0.436 15 R N 0.853 120.982 120.500 -0.619 0.000 2.340 15 R HA 0.068 4.408 4.340 -0.000 0.000 0.300 15 R C 1.276 177.563 176.300 -0.021 0.000 1.069 15 R CA 0.023 55.922 56.100 -0.336 0.000 0.984 15 R CB 1.414 31.616 30.300 -0.163 0.000 1.003 15 R HN 0.603 nan 8.270 nan 0.000 0.459 16 S N 1.706 117.489 115.700 0.139 0.000 2.447 16 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 16 S C 1.898 176.625 174.600 0.212 0.000 1.006 16 S CA 1.720 60.126 58.200 0.344 0.000 0.957 16 S CB -0.007 63.370 63.200 0.295 0.000 0.773 16 S HN 0.727 nan 8.310 nan 0.000 0.507 17 S N 2.281 118.054 115.700 0.121 0.000 2.442 17 S HA -0.070 4.400 4.470 -0.000 0.000 0.236 17 S C 0.796 175.443 174.600 0.079 0.000 1.007 17 S CA 1.249 59.501 58.200 0.088 0.000 0.965 17 S CB -0.485 62.764 63.200 0.082 0.000 0.773 17 S HN 0.869 nan 8.310 nan 0.000 0.504 18 N N -0.689 118.056 118.700 0.075 0.000 2.550 18 N HA 0.215 4.955 4.740 -0.000 0.000 0.277 18 N C -0.489 175.033 175.510 0.020 0.000 1.595 18 N CA -0.069 53.010 53.050 0.048 0.000 0.888 18 N CB 0.522 39.029 38.487 0.033 0.000 1.424 18 N HN 0.187 nan 8.380 nan 0.000 0.501 19 S N -0.434 115.290 115.700 0.040 0.000 2.769 19 S HA 0.323 4.793 4.470 -0.000 0.000 0.258 19 S C 0.054 174.596 174.600 -0.097 0.000 1.080 19 S CA -0.222 57.939 58.200 -0.066 0.000 0.943 19 S CB 0.530 63.648 63.200 -0.137 0.000 0.893 19 S HN 0.190 nan 8.310 nan 0.000 0.490 20 F N 2.628 122.566 119.950 -0.019 0.000 2.378 20 F HA 0.546 5.073 4.527 -0.000 0.000 0.319 20 F C 0.501 176.299 175.800 -0.004 0.000 1.155 20 F CA 0.005 58.003 58.000 -0.004 0.000 1.157 20 F CB 0.640 39.650 39.000 0.015 0.000 1.252 20 F HN -0.026 nan 8.300 nan 0.000 0.550 21 Q N 1.387 121.324 119.800 0.228 0.000 2.281 21 Q HA 0.234 4.574 4.340 -0.000 0.000 0.263 21 Q C -1.634 174.445 176.000 0.131 0.000 0.989 21 Q CA -0.733 55.145 55.803 0.125 0.000 0.852 21 Q CB 2.008 30.779 28.738 0.056 0.000 1.337 21 Q HN 0.768 nan 8.270 nan 0.000 0.418 22 T N 2.712 117.323 114.554 0.095 0.000 2.851 22 T HA 0.288 4.638 4.350 -0.000 0.000 0.298 22 T C 1.307 176.067 174.700 0.100 0.000 0.977 22 T CA -0.455 61.700 62.100 0.092 0.000 1.126 22 T CB 0.581 69.471 68.868 0.037 0.000 0.916 22 T HN 0.623 nan 8.240 nan 0.000 0.529 23 L N 1.280 122.586 121.223 0.139 0.000 2.529 23 L HA 0.419 4.759 4.340 -0.000 0.000 0.223 23 L C 0.013 177.028 176.870 0.243 0.000 1.113 23 L CA 0.376 55.300 54.840 0.141 0.000 0.861 23 L CB -0.060 42.081 42.059 0.138 0.000 1.012 23 L HN 0.606 nan 8.230 nan 0.000 0.461 24 F N -0.602 119.358 119.950 0.016 0.000 2.878 24 F HA 0.436 4.963 4.527 -0.000 0.000 0.322 24 F C -1.563 174.238 175.800 0.002 0.000 1.154 24 F CA -1.322 56.671 58.000 -0.012 0.000 0.896 24 F CB 1.233 40.203 39.000 -0.050 0.000 1.313 24 F HN -0.154 nan 8.300 nan 0.000 0.451 25 E N 2.756 122.271 120.200 -1.141 0.000 2.478 25 E HA 0.415 4.765 4.350 -0.000 0.000 0.293 25 E C -2.157 173.897 176.600 -0.910 0.000 1.011 25 E CA -0.655 55.308 56.400 -0.729 0.000 0.834 25 E CB 1.561 31.051 29.700 -0.351 0.000 1.226 25 E HN 0.771 nan 8.360 nan 0.000 0.419 26 N N 1.783 120.180 118.700 -0.504 0.000 2.823 26 N HA 0.031 4.771 4.740 -0.000 0.000 0.251 26 N C -0.449 174.964 175.510 -0.162 0.000 1.392 26 N CA -0.552 52.308 53.050 -0.316 0.000 0.864 26 N CB 0.931 39.284 38.487 -0.223 0.000 1.481 26 N HN 0.549 nan 8.380 nan 0.000 0.508 27 Q N -0.645 119.092 119.800 -0.105 0.000 2.576 27 Q HA 0.113 4.453 4.340 -0.000 0.000 0.219 27 Q C -0.089 175.879 176.000 -0.053 0.000 0.976 27 Q CA 0.978 56.738 55.803 -0.072 0.000 0.977 27 Q CB -0.349 28.358 28.738 -0.051 0.000 0.988 27 Q HN 0.511 nan 8.270 nan 0.000 0.555 28 N N -0.431 118.237 118.700 -0.053 0.000 2.113 28 N HA 0.223 4.963 4.740 -0.000 0.000 0.223 28 N C -0.492 174.995 175.510 -0.037 0.000 1.310 28 N CA 0.804 53.836 53.050 -0.028 0.000 0.896 28 N CB 1.708 40.197 38.487 0.004 0.000 1.097 28 N HN 0.374 nan 8.380 nan 0.000 0.507 29 G N -0.008 108.755 108.800 -0.062 0.000 2.313 29 G HA2 0.344 4.304 3.960 -0.000 0.000 0.296 29 G HA3 0.344 4.304 3.960 -0.000 0.000 0.296 29 G C -2.053 172.801 174.900 -0.077 0.000 1.356 29 G CA -0.760 44.293 45.100 -0.078 0.000 0.833 29 G HN 0.145 nan 8.290 nan 0.000 0.552 30 R N -0.197 120.267 120.500 -0.059 0.000 2.561 30 R HA 0.580 4.920 4.340 -0.000 0.000 0.266 30 R C -2.058 174.306 176.300 0.108 0.000 1.091 30 R CA -0.733 55.357 56.100 -0.016 0.000 0.927 30 R CB 1.416 31.670 30.300 -0.076 0.000 1.240 30 R HN 0.581 nan 8.270 nan 0.000 0.449 31 I N 4.526 125.206 120.570 0.183 0.000 2.439 31 I HA 0.479 4.649 4.170 -0.000 0.000 0.285 31 I C -0.246 175.995 176.117 0.207 0.000 1.021 31 I CA -0.815 60.649 61.300 0.273 0.000 1.091 31 I CB 2.039 40.244 38.000 0.341 0.000 1.242 31 I HN 0.423 nan 8.210 nan 0.000 0.439 32 R N 5.545 126.178 120.500 0.222 0.000 2.670 32 R HA 0.729 5.069 4.340 -0.000 0.000 0.289 32 R C -1.289 175.234 176.300 0.373 0.000 0.965 32 R CA -0.959 55.306 56.100 0.275 0.000 0.899 32 R CB 2.987 33.449 30.300 0.270 0.000 1.173 32 R HN 0.444 nan 8.270 nan 0.000 0.456 33 L N 2.962 124.351 121.223 0.277 0.000 2.333 33 L HA 0.409 4.749 4.340 -0.000 0.000 0.280 33 L C -0.833 176.034 176.870 -0.006 0.000 1.004 33 L CA -0.868 54.072 54.840 0.167 0.000 0.820 33 L CB 1.295 43.422 42.059 0.114 0.000 1.247 33 L HN 0.506 nan 8.230 nan 0.000 0.416 34 L N 2.898 123.980 121.223 -0.234 0.000 2.444 34 L HA 0.202 4.542 4.340 -0.000 0.000 0.251 34 L C 0.550 177.215 176.870 -0.342 0.000 1.247 34 L CA 0.634 55.163 54.840 -0.519 0.000 0.825 34 L CB 0.279 41.933 42.059 -0.675 0.000 1.129 34 L HN 0.844 nan 8.230 nan 0.000 0.527 35 Q N 0.156 119.731 119.800 -0.376 0.000 2.317 35 Q HA 0.249 4.589 4.340 -0.000 0.000 0.229 35 Q C -0.603 175.169 176.000 -0.380 0.000 0.984 35 Q CA -0.622 55.010 55.803 -0.285 0.000 0.911 35 Q CB 0.841 29.446 28.738 -0.220 0.000 1.217 35 Q HN 0.435 nan 8.270 nan 0.000 0.501 36 R N 1.673 122.019 120.500 -0.256 0.000 2.370 36 R HA 0.069 4.409 4.340 -0.000 0.000 0.309 36 R C 0.489 176.669 176.300 -0.199 0.000 1.059 36 R CA 0.280 56.236 56.100 -0.240 0.000 0.981 36 R CB 0.238 30.472 30.300 -0.110 0.000 0.972 36 R HN 0.639 nan 8.270 nan 0.000 0.437 37 F N 1.814 121.733 119.950 -0.051 0.000 2.091 37 F HA -0.358 4.169 4.527 -0.000 0.000 0.299 37 F C 1.935 177.690 175.800 -0.076 0.000 1.103 37 F CA 2.032 59.989 58.000 -0.071 0.000 1.228 37 F CB -0.202 38.764 39.000 -0.056 0.000 0.984 37 F HN 0.703 nan 8.300 nan 0.000 0.477 38 N N -0.264 118.513 118.700 0.128 0.000 2.396 38 N HA -0.121 4.619 4.740 -0.000 0.000 0.180 38 N C 1.522 177.031 175.510 -0.001 0.000 1.028 38 N CA 0.548 53.627 53.050 0.047 0.000 0.893 38 N CB -0.263 38.252 38.487 0.045 0.000 0.967 38 N HN 0.043 nan 8.380 nan 0.000 0.440 39 K N 0.692 121.081 120.400 -0.018 0.000 2.209 39 K HA -0.125 4.195 4.320 -0.000 0.000 0.204 39 K C 2.023 178.595 176.600 -0.046 0.000 1.048 39 K CA 0.819 57.084 56.287 -0.038 0.000 0.940 39 K CB -0.103 32.363 32.500 -0.056 0.000 0.729 39 K HN 0.354 nan 8.250 nan 0.000 0.451 40 R N 0.561 121.032 120.500 -0.049 0.000 2.065 40 R HA -0.009 4.331 4.340 -0.000 0.000 0.224 40 R C 0.631 176.882 176.300 -0.081 0.000 1.161 40 R CA 1.338 57.398 56.100 -0.067 0.000 0.923 40 R CB -0.226 30.030 30.300 -0.074 0.000 0.822 40 R HN -0.032 nan 8.270 nan 0.000 0.437 41 S N -0.555 115.083 115.700 -0.102 0.000 2.561 41 S HA 0.430 4.899 4.470 -0.000 0.000 0.303 41 S C -2.270 172.274 174.600 -0.094 0.000 1.110 41 S CA -1.977 56.145 58.200 -0.130 0.000 1.034 41 S CB 1.916 64.968 63.200 -0.247 0.000 1.010 41 S HN 0.156 nan 8.310 nan 0.000 0.482 42 P HA -0.138 nan 4.420 nan 0.000 0.220 42 P C 1.412 178.689 177.300 -0.037 0.000 1.144 42 P CA 0.923 64.001 63.100 -0.036 0.000 0.800 42 P CB 0.112 31.796 31.700 -0.026 0.000 0.772 43 Q N -0.955 118.802 119.800 -0.071 0.000 2.325 43 Q HA -0.144 4.196 4.340 -0.000 0.000 0.211 43 Q C 0.747 176.732 176.000 -0.025 0.000 0.988 43 Q CA 1.074 56.844 55.803 -0.054 0.000 0.887 43 Q CB -0.409 28.238 28.738 -0.152 0.000 0.915 43 Q HN 0.371 nan 8.270 nan 0.000 0.440 44 L N 0.196 121.394 121.223 -0.043 0.000 3.084 44 L HA 0.146 4.486 4.340 -0.000 0.000 0.238 44 L C 1.415 178.290 176.870 0.009 0.000 1.327 44 L CA -0.170 54.655 54.840 -0.025 0.000 1.094 44 L CB 0.295 42.339 42.059 -0.024 0.000 1.477 44 L HN 0.012 nan 8.230 nan 0.000 0.514 45 E N 0.730 120.934 120.200 0.006 0.000 2.012 45 E HA -0.226 4.124 4.350 -0.000 0.000 0.197 45 E C 1.127 177.751 176.600 0.040 0.000 1.007 45 E CA 1.506 57.920 56.400 0.023 0.000 0.816 45 E CB 0.125 29.834 29.700 0.015 0.000 0.762 45 E HN 0.550 nan 8.360 nan 0.000 0.451 46 N N 0.231 118.944 118.700 0.022 0.000 2.661 46 N HA -0.145 4.595 4.740 -0.000 0.000 0.196 46 N C 1.018 176.572 175.510 0.073 0.000 1.129 46 N CA 0.670 53.741 53.050 0.035 0.000 0.938 46 N CB -0.013 38.473 38.487 -0.001 0.000 0.966 46 N HN 0.183 nan 8.380 nan 0.000 0.450 47 L N -0.289 120.986 121.223 0.086 0.000 2.693 47 L HA 0.169 4.509 4.340 -0.000 0.000 0.235 47 L C 1.959 179.043 176.870 0.356 0.000 1.127 47 L CA -0.137 54.812 54.840 0.181 0.000 0.914 47 L CB 0.082 42.152 42.059 0.017 0.000 1.193 47 L HN 0.181 nan 8.230 nan 0.000 0.502 48 R N -0.217 120.411 120.500 0.213 0.000 2.154 48 R HA -0.213 4.127 4.340 -0.000 0.000 0.248 48 R C 0.926 177.298 176.300 0.121 0.000 1.155 48 R CA 1.964 58.153 56.100 0.147 0.000 0.979 48 R CB -0.580 29.766 30.300 0.076 0.000 0.869 48 R HN 0.268 nan 8.270 nan 0.000 0.452 49 D N -0.365 120.107 120.400 0.119 0.000 2.347 49 D HA -0.025 4.615 4.640 -0.000 0.000 0.215 49 D C 0.016 176.188 176.300 -0.213 0.000 0.976 49 D CA 0.837 54.784 54.000 -0.088 0.000 0.884 49 D CB 0.048 40.701 40.800 -0.245 0.000 0.915 49 D HN 0.280 nan 8.370 nan 0.000 0.526 50 Y N -0.111 120.226 120.300 0.062 0.000 2.519 50 Y HA 0.506 5.056 4.550 -0.000 0.000 0.324 50 Y C 1.186 177.099 175.900 0.022 0.000 1.214 50 Y CA -0.770 57.370 58.100 0.066 0.000 1.260 50 Y CB 1.247 39.786 38.460 0.132 0.000 1.311 50 Y HN -0.428 nan 8.280 nan 0.000 0.505 51 R N 0.710 121.315 120.500 0.175 0.000 2.733 51 R HA 0.496 4.836 4.340 -0.000 0.000 0.272 51 R C -2.070 174.262 176.300 0.054 0.000 1.029 51 R CA -0.838 55.272 56.100 0.017 0.000 0.888 51 R CB 2.085 32.443 30.300 0.095 0.000 1.251 51 R HN 0.510 nan 8.270 nan 0.000 0.464 52 I N 1.857 122.429 120.570 0.004 0.000 2.466 52 I HA 0.399 4.569 4.170 -0.000 0.000 0.289 52 I C -0.149 176.057 176.117 0.149 0.000 1.026 52 I CA -0.877 60.477 61.300 0.091 0.000 1.078 52 I CB 1.762 39.815 38.000 0.089 0.000 1.249 52 I HN 0.191 nan 8.210 nan 0.000 0.429 53 V N 5.556 125.598 119.914 0.214 0.000 2.555 53 V HA 0.465 4.585 4.120 -0.000 0.000 0.302 53 V C -0.120 176.154 176.094 0.299 0.000 1.038 53 V CA -0.699 61.750 62.300 0.250 0.000 0.887 53 V CB 2.158 34.078 31.823 0.162 0.000 0.991 53 V HN 0.724 nan 8.190 nan 0.000 0.434 54 Q N 2.972 122.987 119.800 0.358 0.000 2.341 54 Q HA 0.503 4.843 4.340 -0.000 0.000 0.268 54 Q C -1.941 174.233 176.000 0.289 0.000 1.013 54 Q CA -0.565 55.418 55.803 0.300 0.000 0.798 54 Q CB 1.869 30.737 28.738 0.217 0.000 1.253 54 Q HN 0.692 nan 8.270 nan 0.000 0.457 55 F N 2.961 122.961 119.950 0.082 0.000 2.458 55 F HA 0.442 4.969 4.527 -0.000 0.000 0.336 55 F C -0.906 174.912 175.800 0.031 0.000 1.114 55 F CA -0.543 57.494 58.000 0.061 0.000 0.987 55 F CB 1.702 40.743 39.000 0.068 0.000 1.130 55 F HN 0.496 nan 8.300 nan 0.000 0.458 56 Q N 4.075 123.551 119.800 -0.540 0.000 2.275 56 Q HA 0.518 4.858 4.340 -0.000 0.000 0.258 56 Q C -1.789 173.839 176.000 -0.621 0.000 0.960 56 Q CA -0.474 55.020 55.803 -0.516 0.000 0.801 56 Q CB 1.628 30.223 28.738 -0.238 0.000 1.302 56 Q HN 0.759 nan 8.270 nan 0.000 0.433 57 S N 2.723 118.043 115.700 -0.632 0.000 2.542 57 S HA 0.632 5.102 4.470 -0.000 0.000 0.293 57 S C -0.328 174.150 174.600 -0.204 0.000 1.089 57 S CA -1.055 56.909 58.200 -0.392 0.000 0.961 57 S CB 1.914 64.879 63.200 -0.392 0.000 1.062 57 S HN 0.497 nan 8.310 nan 0.000 0.483 58 K N 0.947 121.275 120.400 -0.119 0.000 2.244 58 K HA 0.313 4.633 4.320 -0.000 0.000 0.242 58 K C -2.412 174.166 176.600 -0.038 0.000 1.082 58 K CA -1.330 54.916 56.287 -0.069 0.000 0.841 58 K CB -0.344 32.130 32.500 -0.043 0.000 1.129 58 K HN 0.523 nan 8.250 nan 0.000 0.516 59 P HA 0.157 nan 4.420 nan 0.000 0.290 59 P C -1.114 176.206 177.300 0.033 0.000 1.276 59 P CA -0.206 62.912 63.100 0.029 0.000 0.808 59 P CB 0.453 32.192 31.700 0.065 0.000 0.966 60 N N -0.276 118.447 118.700 0.039 0.000 2.688 60 N HA -0.084 4.656 4.740 -0.000 0.000 0.261 60 N C -0.261 175.269 175.510 0.034 0.000 1.116 60 N CA 1.256 54.326 53.050 0.034 0.000 0.689 60 N CB -1.867 36.636 38.487 0.027 0.000 0.882 60 N HN 0.756 nan 8.380 nan 0.000 0.554 61 T N -2.311 112.272 114.554 0.047 0.000 2.787 61 T HA 0.855 5.205 4.350 -0.000 0.000 0.297 61 T C -0.284 174.471 174.700 0.092 0.000 1.221 61 T CA -0.871 61.263 62.100 0.058 0.000 1.006 61 T CB 3.020 71.920 68.868 0.053 0.000 1.328 61 T HN 0.235 nan 8.240 nan 0.000 0.509 62 I N 0.113 120.743 120.570 0.100 0.000 2.827 62 I HA 0.507 4.677 4.170 -0.000 0.000 0.298 62 I C -1.661 174.531 176.117 0.124 0.000 1.235 62 I CA -1.483 59.892 61.300 0.124 0.000 1.021 62 I CB 2.168 40.213 38.000 0.076 0.000 1.259 62 I HN 0.726 nan 8.210 nan 0.000 0.427 63 L N 7.224 128.528 121.223 0.135 0.000 2.272 63 L HA 0.330 4.670 4.340 -0.000 0.000 0.284 63 L C -0.764 176.133 176.870 0.045 0.000 1.045 63 L CA -0.973 53.906 54.840 0.065 0.000 0.842 63 L CB 0.959 42.975 42.059 -0.071 0.000 1.224 63 L HN 0.496 nan 8.230 nan 0.000 0.430 64 L N 7.228 128.482 121.223 0.052 0.000 2.593 64 L HA -0.021 4.319 4.340 -0.000 0.000 0.287 64 L C -1.786 175.173 176.870 0.149 0.000 1.243 64 L CA -0.799 54.081 54.840 0.066 0.000 0.890 64 L CB -0.689 41.401 42.059 0.051 0.000 1.134 64 L HN 0.408 nan 8.230 nan 0.000 0.502 65 P HA -0.041 nan 4.420 nan 0.000 0.255 65 P C -0.939 176.480 177.300 0.199 0.000 1.151 65 P CA 0.808 64.037 63.100 0.215 0.000 0.767 65 P CB -0.107 31.720 31.700 0.213 0.000 0.736 66 H N 0.661 119.631 119.070 -0.167 0.000 2.947 66 H HA 0.746 5.302 4.556 -0.000 0.000 0.290 66 H C -0.954 174.346 175.328 -0.046 0.000 1.430 66 H CA -1.014 54.835 56.048 -0.332 0.000 1.189 66 H CB 1.857 30.793 29.762 -1.376 0.000 1.875 66 H HN 0.564 nan 8.280 nan 0.000 0.568 67 H N 0.121 118.994 119.070 -0.328 0.000 3.068 67 H HA 0.703 5.258 4.556 -0.000 0.000 0.342 67 H C -2.182 173.123 175.328 -0.037 0.000 1.284 67 H CA -0.712 55.220 56.048 -0.193 0.000 1.181 67 H CB 1.664 31.402 29.762 -0.040 0.000 1.898 67 H HN 0.974 nan 8.280 nan 0.000 0.540 68 A N 2.047 124.985 122.820 0.197 0.000 2.454 68 A HA 0.297 4.617 4.320 -0.000 0.000 0.302 68 A C -0.451 177.218 177.584 0.142 0.000 1.079 68 A CA -0.457 51.737 52.037 0.261 0.000 0.731 68 A CB 1.358 20.537 19.000 0.299 0.000 1.299 68 A HN 0.780 nan 8.150 nan 0.000 0.413 69 D N 0.777 121.299 120.400 0.204 0.000 2.885 69 D HA 0.433 5.073 4.640 -0.000 0.000 0.234 69 D C 0.044 176.273 176.300 -0.119 0.000 1.129 69 D CA 0.681 54.709 54.000 0.046 0.000 0.991 69 D CB -0.219 40.649 40.800 0.114 0.000 1.137 69 D HN 0.814 nan 8.370 nan 0.000 0.459 70 A N 0.334 122.931 122.820 -0.371 0.000 2.594 70 A HA 0.454 4.774 4.320 -0.000 0.000 0.295 70 A C -1.542 175.538 177.584 -0.841 0.000 1.071 70 A CA -1.038 50.603 52.037 -0.659 0.000 0.685 70 A CB 1.389 19.751 19.000 -1.063 0.000 1.285 70 A HN 0.084 nan 8.150 nan 0.000 0.405 71 D N 0.713 120.730 120.400 -0.639 0.000 2.280 71 D HA 0.580 5.220 4.640 -0.000 0.000 0.243 71 D C -0.852 175.163 176.300 -0.476 0.000 1.129 71 D CA 0.747 54.469 54.000 -0.463 0.000 0.848 71 D CB 0.372 41.011 40.800 -0.267 0.000 1.107 71 D HN 0.336 nan 8.370 nan 0.000 0.471 72 F N 2.282 122.113 119.950 -0.199 0.000 2.483 72 F HA 0.509 5.036 4.527 -0.000 0.000 0.329 72 F C -0.043 175.687 175.800 -0.116 0.000 1.064 72 F CA -1.241 56.651 58.000 -0.181 0.000 0.986 72 F CB 1.308 40.181 39.000 -0.211 0.000 1.218 72 F HN 0.110 nan 8.300 nan 0.000 0.484 73 L N 4.853 126.173 121.223 0.161 0.000 2.489 73 L HA 0.410 4.750 4.340 -0.000 0.000 0.257 73 L C -1.241 175.732 176.870 0.171 0.000 1.215 73 L CA -0.808 54.108 54.840 0.127 0.000 0.915 73 L CB 0.343 42.471 42.059 0.115 0.000 1.146 73 L HN 0.400 nan 8.230 nan 0.000 0.494 74 L N 0.705 121.996 121.223 0.114 0.000 2.371 74 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 74 L C -0.579 176.401 176.870 0.184 0.000 1.124 74 L CA -0.209 54.713 54.840 0.138 0.000 0.816 74 L CB 0.411 42.486 42.059 0.027 0.000 1.129 74 L HN 0.448 nan 8.230 nan 0.000 0.448 75 F N 2.514 122.518 119.950 0.090 0.000 2.518 75 F HA 0.708 5.234 4.527 -0.000 0.000 0.323 75 F C -0.631 175.185 175.800 0.028 0.000 1.129 75 F CA -0.940 57.073 58.000 0.022 0.000 0.920 75 F CB 1.833 40.850 39.000 0.028 0.000 1.160 75 F HN 0.337 nan 8.300 nan 0.000 0.440 76 V N 8.107 127.628 119.914 -0.655 0.000 2.408 76 V HA 0.085 4.205 4.120 -0.000 0.000 0.267 76 V C 1.064 176.862 176.094 -0.493 0.000 1.047 76 V CA -0.138 61.911 62.300 -0.418 0.000 0.937 76 V CB 0.849 32.483 31.823 -0.315 0.000 0.999 76 V HN 0.920 nan 8.190 nan 0.000 0.472 77 L N 3.400 124.546 121.223 -0.128 0.000 2.179 77 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 77 L C 0.805 177.651 176.870 -0.040 0.000 1.096 77 L CA 0.944 55.787 54.840 0.006 0.000 0.779 77 L CB 0.070 42.195 42.059 0.110 0.000 0.922 77 L HN 0.898 nan 8.230 nan 0.000 0.443 78 S N -1.792 113.866 115.700 -0.070 0.000 2.578 78 S HA 0.621 5.091 4.470 -0.000 0.000 0.285 78 S C -0.401 174.149 174.600 -0.083 0.000 1.126 78 S CA -0.336 57.823 58.200 -0.068 0.000 0.878 78 S CB 1.599 64.771 63.200 -0.048 0.000 1.091 78 S HN 0.464 nan 8.310 nan 0.000 0.450 79 G N 1.409 110.159 108.800 -0.083 0.000 2.655 79 G HA2 0.094 4.054 3.960 -0.000 0.000 0.680 79 G HA3 0.094 4.054 3.960 -0.000 0.000 0.680 79 G C -1.039 173.836 174.900 -0.041 0.000 1.302 79 G CA -0.735 44.310 45.100 -0.092 0.000 0.872 79 G HN 0.883 nan 8.290 nan 0.000 0.540 80 R N -0.309 120.190 120.500 -0.002 0.000 2.664 80 R HA 0.777 5.117 4.340 -0.000 0.000 0.286 80 R C 0.187 176.468 176.300 -0.032 0.000 0.967 80 R CA 0.091 56.169 56.100 -0.037 0.000 0.933 80 R CB 1.624 31.915 30.300 -0.014 0.000 1.146 80 R HN 1.537 nan 8.270 nan 0.000 0.468 81 A N 3.347 126.128 122.820 -0.065 0.000 2.515 81 A HA 0.636 4.956 4.320 -0.000 0.000 0.296 81 A C -1.255 176.326 177.584 -0.005 0.000 1.094 81 A CA -0.676 51.362 52.037 0.002 0.000 0.718 81 A CB 1.448 20.475 19.000 0.046 0.000 1.307 81 A HN 0.663 nan 8.150 nan 0.000 0.408 82 I N 1.566 122.169 120.570 0.055 0.000 2.439 82 I HA 0.294 4.464 4.170 -0.000 0.000 0.283 82 I C -1.252 174.930 176.117 0.108 0.000 1.023 82 I CA -0.566 60.773 61.300 0.066 0.000 1.100 82 I CB 1.529 39.569 38.000 0.067 0.000 1.238 82 I HN 0.600 nan 8.210 nan 0.000 0.445 83 L N 7.351 128.646 121.223 0.120 0.000 2.272 83 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 83 L C -0.439 176.494 176.870 0.105 0.000 1.032 83 L CA 0.407 55.331 54.840 0.139 0.000 0.810 83 L CB 1.447 43.591 42.059 0.142 0.000 1.205 83 L HN 0.425 nan 8.230 nan 0.000 0.422 84 T N 6.615 121.126 114.554 -0.072 0.000 2.791 84 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 84 T C -0.306 174.242 174.700 -0.254 0.000 0.999 84 T CA -0.288 61.654 62.100 -0.264 0.000 0.952 84 T CB 0.621 69.095 68.868 -0.655 0.000 0.938 84 T HN 0.412 nan 8.240 nan 0.000 0.444 85 L N 3.893 125.096 121.223 -0.033 0.000 2.295 85 L HA 0.722 5.062 4.340 -0.000 0.000 0.285 85 L C 0.043 176.926 176.870 0.022 0.000 1.035 85 L CA -1.205 53.662 54.840 0.045 0.000 0.806 85 L CB 1.380 43.515 42.059 0.126 0.000 1.214 85 L HN 0.428 nan 8.230 nan 0.000 0.426 86 V N 0.161 120.107 119.914 0.054 0.000 2.444 86 V HA 0.539 4.659 4.120 -0.000 0.000 0.294 86 V C -0.427 175.709 176.094 0.070 0.000 1.022 86 V CA -0.579 61.767 62.300 0.076 0.000 0.850 86 V CB 1.151 33.055 31.823 0.135 0.000 0.992 86 V HN 0.807 nan 8.190 nan 0.000 0.426 87 N N 3.015 121.746 118.700 0.051 0.000 2.681 87 N HA 0.382 5.122 4.740 -0.000 0.000 0.311 87 N C 1.136 176.666 175.510 0.033 0.000 1.303 87 N CA -0.293 52.776 53.050 0.032 0.000 0.926 87 N CB 0.579 39.080 38.487 0.022 0.000 1.136 87 N HN 0.848 nan 8.380 nan 0.000 0.592 88 N N -0.441 118.269 118.700 0.017 0.000 2.409 88 N HA -0.116 4.624 4.740 -0.000 0.000 0.179 88 N C -0.337 175.185 175.510 0.019 0.000 1.032 88 N CA 1.144 54.204 53.050 0.016 0.000 0.898 88 N CB -0.089 38.398 38.487 0.000 0.000 0.971 88 N HN 0.594 nan 8.380 nan 0.000 0.441 89 D N -1.757 118.654 120.400 0.018 0.000 2.514 89 D HA 0.186 4.826 4.640 -0.000 0.000 0.225 89 D C -0.530 175.782 176.300 0.020 0.000 1.159 89 D CA -0.249 53.761 54.000 0.017 0.000 0.823 89 D CB 0.419 41.225 40.800 0.010 0.000 1.097 89 D HN -0.064 nan 8.370 nan 0.000 0.519 90 D N 0.085 120.500 120.400 0.024 0.000 2.566 90 D HA 0.423 5.063 4.640 -0.000 0.000 0.254 90 D C -0.927 175.392 176.300 0.032 0.000 1.090 90 D CA -0.670 53.344 54.000 0.023 0.000 1.034 90 D CB 1.767 42.578 40.800 0.018 0.000 1.434 90 D HN -0.036 nan 8.370 nan 0.000 0.509 91 R N 1.323 121.836 120.500 0.022 0.000 2.549 91 R HA 0.276 4.616 4.340 -0.000 0.000 0.291 91 R C -2.053 174.236 176.300 -0.019 0.000 1.164 91 R CA -0.472 55.641 56.100 0.023 0.000 0.973 91 R CB 1.015 31.344 30.300 0.049 0.000 1.210 91 R HN 0.291 nan 8.270 nan 0.000 0.422 92 D N 2.039 122.418 120.400 -0.034 0.000 2.375 92 D HA 0.360 5.000 4.640 -0.000 0.000 0.247 92 D C -0.873 175.293 176.300 -0.222 0.000 1.061 92 D CA -0.237 53.672 54.000 -0.151 0.000 0.834 92 D CB 2.412 43.147 40.800 -0.108 0.000 1.247 92 D HN 0.367 nan 8.370 nan 0.000 0.489 93 S N 1.430 116.903 115.700 -0.378 0.000 2.482 93 S HA 0.539 5.009 4.470 -0.000 0.000 0.303 93 S C -0.992 173.327 174.600 -0.467 0.000 1.091 93 S CA -0.642 57.400 58.200 -0.264 0.000 1.057 93 S CB 0.886 64.021 63.200 -0.109 0.000 1.031 93 S HN 0.247 nan 8.310 nan 0.000 0.485 94 Y N 1.290 121.587 120.300 -0.004 0.000 2.409 94 Y HA 0.393 4.942 4.550 -0.000 0.000 0.343 94 Y C 0.616 176.506 175.900 -0.017 0.000 0.973 94 Y CA -0.814 57.286 58.100 0.000 0.000 1.064 94 Y CB 1.147 39.608 38.460 0.003 0.000 1.207 94 Y HN 0.607 nan 8.280 nan 0.000 0.452 95 N N 4.470 123.235 118.700 0.108 0.000 2.868 95 N HA 0.240 4.980 4.740 -0.000 0.000 0.252 95 N C -1.139 174.319 175.510 -0.087 0.000 1.130 95 N CA -0.180 52.864 53.050 -0.010 0.000 1.026 95 N CB 0.240 38.725 38.487 -0.002 0.000 1.335 95 N HN 0.596 nan 8.380 nan 0.000 0.516 96 L N 3.201 124.374 121.223 -0.083 0.000 2.453 96 L HA 0.158 4.498 4.340 -0.000 0.000 0.272 96 L C 0.570 177.274 176.870 -0.276 0.000 1.182 96 L CA 0.176 54.951 54.840 -0.107 0.000 0.858 96 L CB 0.331 42.348 42.059 -0.069 0.000 1.120 96 L HN 0.392 nan 8.230 nan 0.000 0.474 97 H N 1.900 120.934 119.070 -0.060 0.000 2.731 97 H HA 0.349 4.905 4.556 -0.000 0.000 0.368 97 H C -2.295 172.947 175.328 -0.142 0.000 1.168 97 H CA -2.143 53.863 56.048 -0.071 0.000 1.181 97 H CB 1.998 31.729 29.762 -0.051 0.000 1.743 97 H HN 0.286 nan 8.280 nan 0.000 0.547 98 P HA 0.004 nan 4.420 nan 0.000 0.261 98 P C 0.847 178.025 177.300 -0.203 0.000 1.183 98 P CA 1.360 64.377 63.100 -0.138 0.000 0.761 98 P CB 0.202 31.856 31.700 -0.076 0.000 0.785 99 G N 2.013 110.548 108.800 -0.441 0.000 2.195 99 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.224 99 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.224 99 G C -0.138 174.520 174.900 -0.404 0.000 0.990 99 G CA -0.444 44.414 45.100 -0.404 0.000 0.639 99 G HN 0.480 nan 8.290 nan 0.000 0.514 100 D N 1.318 121.466 120.400 -0.419 0.000 2.304 100 D HA 0.677 5.317 4.640 -0.000 0.000 0.250 100 D C 0.475 176.525 176.300 -0.415 0.000 1.107 100 D CA 1.032 54.846 54.000 -0.311 0.000 0.885 100 D CB 1.502 42.202 40.800 -0.167 0.000 1.192 100 D HN 0.722 nan 8.370 nan 0.000 0.436 101 A N 2.542 125.083 122.820 -0.465 0.000 2.380 101 A HA 0.707 5.027 4.320 -0.000 0.000 0.315 101 A C -0.577 176.687 177.584 -0.533 0.000 1.101 101 A CA -0.548 51.219 52.037 -0.450 0.000 0.771 101 A CB 1.948 20.663 19.000 -0.476 0.000 1.287 101 A HN 0.508 nan 8.150 nan 0.000 0.436 102 Q N -0.024 119.636 119.800 -0.234 0.000 2.633 102 Q HA 0.453 4.793 4.340 -0.000 0.000 0.289 102 Q C -1.548 174.434 176.000 -0.030 0.000 0.940 102 Q CA -0.759 54.972 55.803 -0.120 0.000 0.785 102 Q CB 1.787 30.398 28.738 -0.213 0.000 1.467 102 Q HN 0.799 nan 8.270 nan 0.000 0.401 103 R N 2.607 123.098 120.500 -0.016 0.000 2.437 103 R HA 0.476 4.816 4.340 -0.000 0.000 0.310 103 R C -1.217 175.038 176.300 -0.075 0.000 0.955 103 R CA -0.370 55.724 56.100 -0.010 0.000 0.851 103 R CB 0.681 31.002 30.300 0.035 0.000 1.161 103 R HN 0.633 nan 8.270 nan 0.000 0.446 104 I N 6.961 127.481 120.570 -0.083 0.000 2.313 104 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 104 I C -2.004 174.038 176.117 -0.124 0.000 1.091 104 I CA -2.300 58.915 61.300 -0.142 0.000 1.216 104 I CB 1.163 39.007 38.000 -0.260 0.000 1.434 104 I HN 0.331 nan 8.210 nan 0.000 0.487 105 P HA -0.133 nan 4.420 nan 0.000 0.269 105 P C 0.092 177.296 177.300 -0.160 0.000 1.185 105 P CA 0.089 63.117 63.100 -0.119 0.000 0.769 105 P CB 0.507 32.156 31.700 -0.086 0.000 0.809 106 A N 2.839 125.548 122.820 -0.186 0.000 2.565 106 A HA 0.375 4.695 4.320 -0.000 0.000 0.237 106 A C 1.622 179.101 177.584 -0.174 0.000 1.053 106 A CA 0.707 52.616 52.037 -0.214 0.000 0.755 106 A CB -1.350 17.533 19.000 -0.195 0.000 0.980 106 A HN 0.932 nan 8.150 nan 0.000 0.506 107 G N 2.160 110.862 108.800 -0.163 0.000 2.168 107 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.263 107 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.263 107 G C 0.480 175.246 174.900 -0.223 0.000 0.977 107 G CA 0.762 45.722 45.100 -0.233 0.000 0.659 107 G HN 1.168 nan 8.290 nan 0.000 0.533 108 T N 1.609 116.106 114.554 -0.095 0.000 2.897 108 T HA 0.513 4.863 4.350 -0.000 0.000 0.294 108 T C 0.682 175.451 174.700 0.115 0.000 1.004 108 T CA 0.652 62.737 62.100 -0.025 0.000 1.106 108 T CB 1.103 69.954 68.868 -0.029 0.000 0.949 108 T HN 0.214 nan 8.240 nan 0.000 0.520 109 T N 4.281 118.920 114.554 0.142 0.000 2.889 109 T HA 0.566 4.916 4.350 -0.000 0.000 0.291 109 T C -0.840 174.052 174.700 0.320 0.000 0.995 109 T CA -0.323 61.928 62.100 0.252 0.000 1.092 109 T CB 0.174 69.172 68.868 0.217 0.000 0.954 109 T HN 0.636 nan 8.240 nan 0.000 0.506 110 Y N 0.417 120.783 120.300 0.110 0.000 2.702 110 Y HA 0.619 5.169 4.550 -0.000 0.000 0.336 110 Y C -2.094 173.903 175.900 0.162 0.000 1.203 110 Y CA -2.294 55.806 58.100 -0.001 0.000 1.072 110 Y CB 0.693 39.141 38.460 -0.019 0.000 1.327 110 Y HN 0.726 nan 8.280 nan 0.000 0.456 111 Y N 0.752 121.039 120.300 -0.022 0.000 2.581 111 Y HA 0.845 5.395 4.550 -0.000 0.000 0.345 111 Y C -2.094 173.832 175.900 0.043 0.000 1.036 111 Y CA -1.668 56.361 58.100 -0.118 0.000 1.042 111 Y CB 1.438 39.883 38.460 -0.025 0.000 1.289 111 Y HN 0.655 nan 8.280 nan 0.000 0.471 112 L N 2.494 123.837 121.223 0.199 0.000 2.333 112 L HA 0.699 5.039 4.340 -0.000 0.000 0.280 112 L C -0.874 176.144 176.870 0.247 0.000 1.004 112 L CA -0.976 54.000 54.840 0.227 0.000 0.820 112 L CB 1.850 44.044 42.059 0.224 0.000 1.247 112 L HN 0.710 nan 8.230 nan 0.000 0.416 113 V N 3.824 123.867 119.914 0.215 0.000 2.555 113 V HA 0.499 4.619 4.120 -0.000 0.000 0.302 113 V C -0.347 175.824 176.094 0.128 0.000 1.038 113 V CA -0.786 61.613 62.300 0.166 0.000 0.887 113 V CB 2.085 33.998 31.823 0.150 0.000 0.991 113 V HN 0.750 nan 8.190 nan 0.000 0.434 114 N N 6.483 125.244 118.700 0.102 0.000 2.816 114 N HA 0.365 5.105 4.740 -0.000 0.000 0.236 114 N C -1.597 173.949 175.510 0.059 0.000 1.076 114 N CA -2.150 50.944 53.050 0.074 0.000 0.902 114 N CB 1.815 40.334 38.487 0.053 0.000 1.149 114 N HN 0.277 nan 8.380 nan 0.000 0.506 115 P HA -0.108 nan 4.420 nan 0.000 0.222 115 P C 0.197 177.495 177.300 -0.003 0.000 1.147 115 P CA 0.700 63.809 63.100 0.014 0.000 0.790 115 P CB 0.209 31.905 31.700 -0.008 0.000 0.780 116 H N 0.342 119.381 119.070 -0.051 0.000 2.929 116 H HA -0.007 4.549 4.556 -0.000 0.000 0.358 116 H C 0.966 176.241 175.328 -0.088 0.000 1.111 116 H CA 0.735 56.733 56.048 -0.084 0.000 1.409 116 H CB 0.605 30.323 29.762 -0.073 0.000 1.373 116 H HN -0.150 nan 8.280 nan 0.000 0.610 117 D N 1.007 121.379 120.400 -0.047 0.000 2.423 117 D HA 0.025 4.665 4.640 -0.000 0.000 0.212 117 D C 0.948 177.378 176.300 0.217 0.000 1.060 117 D CA 0.841 54.841 54.000 -0.000 0.000 0.872 117 D CB 0.370 41.082 40.800 -0.146 0.000 1.012 117 D HN 0.701 nan 8.370 nan 0.000 0.503 118 H N -0.927 118.343 119.070 0.333 0.000 2.657 118 H HA 0.269 4.825 4.556 -0.000 0.000 0.262 118 H C 0.891 176.237 175.328 0.030 0.000 0.965 118 H CA -0.300 55.842 56.048 0.156 0.000 1.184 118 H CB 1.094 30.941 29.762 0.142 0.000 1.443 118 H HN -0.086 nan 8.280 nan 0.000 0.462 119 Q N 0.975 120.741 119.800 -0.057 0.000 2.414 119 Q HA 0.198 4.538 4.340 -0.000 0.000 0.206 119 Q C -0.329 175.547 176.000 -0.207 0.000 1.058 119 Q CA -0.276 55.321 55.803 -0.344 0.000 1.025 119 Q CB 0.929 29.101 28.738 -0.944 0.000 1.196 119 Q HN 0.318 nan 8.270 nan 0.000 0.586 120 N N -0.443 118.143 118.700 -0.190 0.000 2.741 120 N HA 0.546 5.286 4.740 -0.000 0.000 0.310 120 N C -1.653 173.767 175.510 -0.149 0.000 1.295 120 N CA -0.596 52.371 53.050 -0.138 0.000 0.893 120 N CB 1.051 39.466 38.487 -0.119 0.000 1.247 120 N HN 0.239 nan 8.380 nan 0.000 0.596 121 L N 1.065 122.198 121.223 -0.150 0.000 2.441 121 L HA 0.413 4.753 4.340 -0.000 0.000 0.270 121 L C -1.248 175.519 176.870 -0.172 0.000 0.973 121 L CA -0.315 54.441 54.840 -0.139 0.000 0.842 121 L CB 1.187 43.179 42.059 -0.112 0.000 1.239 121 L HN 0.379 nan 8.230 nan 0.000 0.406 122 K N 5.785 126.123 120.400 -0.103 0.000 2.483 122 K HA 0.638 4.958 4.320 -0.000 0.000 0.256 122 K C -1.496 175.112 176.600 0.013 0.000 0.961 122 K CA -0.404 55.843 56.287 -0.066 0.000 0.873 122 K CB 1.102 33.575 32.500 -0.045 0.000 1.107 122 K HN 0.673 nan 8.250 nan 0.000 0.432 123 I N 5.063 125.688 120.570 0.091 0.000 2.509 123 I HA 0.414 4.584 4.170 -0.000 0.000 0.293 123 I C -0.665 175.585 176.117 0.222 0.000 1.020 123 I CA -1.008 60.387 61.300 0.157 0.000 1.088 123 I CB 1.873 40.002 38.000 0.215 0.000 1.267 123 I HN 0.574 nan 8.210 nan 0.000 0.430 124 I N 6.535 127.256 120.570 0.252 0.000 2.530 124 I HA 0.445 4.615 4.170 -0.000 0.000 0.297 124 I C -1.184 175.127 176.117 0.323 0.000 1.011 124 I CA -0.487 60.999 61.300 0.311 0.000 1.107 124 I CB 1.430 39.655 38.000 0.375 0.000 1.285 124 I HN 0.578 nan 8.210 nan 0.000 0.436 125 K N 6.416 126.970 120.400 0.257 0.000 2.498 125 K HA 0.508 4.828 4.320 -0.000 0.000 0.254 125 K C -1.595 175.064 176.600 0.100 0.000 0.933 125 K CA -0.883 55.504 56.287 0.166 0.000 0.806 125 K CB 2.309 34.793 32.500 -0.028 0.000 1.301 125 K HN 0.360 nan 8.250 nan 0.000 0.432 126 L N 2.099 123.294 121.223 -0.047 0.000 2.257 126 L HA 0.582 4.922 4.340 -0.000 0.000 0.290 126 L C -0.820 176.083 176.870 0.054 0.000 1.044 126 L CA -0.118 54.628 54.840 -0.156 0.000 0.810 126 L CB 0.999 42.677 42.059 -0.635 0.000 1.193 126 L HN 0.903 nan 8.230 nan 0.000 0.425 127 A N 6.486 129.377 122.820 0.118 0.000 2.301 127 A HA 0.658 4.978 4.320 -0.000 0.000 0.298 127 A C -0.273 177.217 177.584 -0.157 0.000 1.185 127 A CA -0.385 51.659 52.037 0.012 0.000 0.830 127 A CB 0.052 19.056 19.000 0.006 0.000 1.112 127 A HN 0.735 nan 8.150 nan 0.000 0.508 128 I N 4.289 124.676 120.570 -0.306 0.000 2.557 128 I HA 0.226 4.396 4.170 -0.000 0.000 0.277 128 I C -2.301 173.617 176.117 -0.332 0.000 1.106 128 I CA -1.846 59.236 61.300 -0.363 0.000 1.180 128 I CB 0.950 38.727 38.000 -0.370 0.000 1.392 128 I HN 0.398 nan 8.210 nan 0.000 0.506 129 P HA -0.115 nan 4.420 nan 0.000 0.271 129 P C 0.723 177.926 177.300 -0.161 0.000 1.197 129 P CA 0.328 63.330 63.100 -0.165 0.000 0.777 129 P CB 1.032 32.702 31.700 -0.050 0.000 0.827 130 V N -0.024 119.821 119.914 -0.115 0.000 3.484 130 V HA 0.062 4.182 4.120 -0.000 0.000 0.252 130 V C 1.489 177.547 176.094 -0.061 0.000 1.282 130 V CA 0.893 63.132 62.300 -0.101 0.000 1.104 130 V CB -0.175 31.582 31.823 -0.110 0.000 0.868 130 V HN 0.469 nan 8.190 nan 0.000 0.457 131 N N 1.108 119.788 118.700 -0.033 0.000 2.429 131 N HA 0.131 4.871 4.740 -0.000 0.000 0.220 131 N C 0.332 175.834 175.510 -0.014 0.000 1.024 131 N CA 0.411 53.452 53.050 -0.015 0.000 1.105 131 N CB 0.093 38.586 38.487 0.011 0.000 1.376 131 N HN 0.352 nan 8.380 nan 0.000 0.565 132 K N 2.729 123.129 120.400 -0.001 0.000 2.258 132 K HA 0.315 4.635 4.320 -0.000 0.000 0.284 132 K C -2.437 174.156 176.600 -0.012 0.000 1.051 132 K CA -1.542 54.742 56.287 -0.005 0.000 0.923 132 K CB 0.598 33.099 32.500 0.000 0.000 1.046 132 K HN 0.209 nan 8.250 nan 0.000 0.474 133 P HA -0.066 nan 4.420 nan 0.000 0.258 133 P C 0.565 177.855 177.300 -0.017 0.000 1.187 133 P CA 0.768 63.851 63.100 -0.028 0.000 0.767 133 P CB 0.501 32.188 31.700 -0.021 0.000 0.770 134 G N 2.776 111.562 108.800 -0.023 0.000 2.168 134 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.263 134 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.263 134 G C 0.268 175.180 174.900 0.020 0.000 0.977 134 G CA 0.061 45.160 45.100 -0.002 0.000 0.659 134 G HN 0.682 nan 8.290 nan 0.000 0.533 135 R N -0.421 120.098 120.500 0.030 0.000 2.514 135 R HA 0.611 4.951 4.340 -0.000 0.000 0.296 135 R C -0.604 175.741 176.300 0.074 0.000 1.012 135 R CA -0.948 55.164 56.100 0.020 0.000 0.897 135 R CB 1.037 31.323 30.300 -0.023 0.000 1.184 135 R HN 0.527 nan 8.270 nan 0.000 0.440 136 Y N 0.317 120.608 120.300 -0.015 0.000 2.576 136 Y HA 0.659 5.209 4.550 -0.000 0.000 0.346 136 Y C -1.243 174.665 175.900 0.014 0.000 1.018 136 Y CA -1.094 57.004 58.100 -0.003 0.000 1.050 136 Y CB 1.801 40.246 38.460 -0.025 0.000 1.280 136 Y HN 0.326 nan 8.280 nan 0.000 0.474 137 D N 0.866 121.278 120.400 0.021 0.000 2.423 137 D HA 0.297 4.937 4.640 -0.000 0.000 0.235 137 D C -1.424 174.895 176.300 0.032 0.000 1.011 137 D CA -0.403 53.505 54.000 -0.154 0.000 0.963 137 D CB 2.064 42.701 40.800 -0.271 0.000 1.349 137 D HN 0.640 nan 8.370 nan 0.000 0.508 138 D N 0.229 120.566 120.400 -0.105 0.000 2.192 138 D HA 0.335 4.974 4.640 -0.000 0.000 0.246 138 D C -0.764 175.361 176.300 -0.292 0.000 1.042 138 D CA -0.267 53.742 54.000 0.014 0.000 0.847 138 D CB 1.469 42.450 40.800 0.302 0.000 1.186 138 D HN 0.129 nan 8.370 nan 0.000 0.461 139 F N 2.198 122.004 119.950 -0.240 0.000 2.434 139 F HA 0.306 4.833 4.527 -0.000 0.000 0.367 139 F C -0.173 175.599 175.800 -0.047 0.000 1.093 139 F CA -0.777 57.089 58.000 -0.224 0.000 1.085 139 F CB 0.556 39.070 39.000 -0.810 0.000 1.322 139 F HN 0.164 nan 8.300 nan 0.000 0.452 140 F N 3.857 123.979 119.950 0.287 0.000 2.424 140 F HA 0.204 4.731 4.527 -0.000 0.000 0.356 140 F C 1.343 177.234 175.800 0.151 0.000 1.110 140 F CA -0.156 57.980 58.000 0.226 0.000 1.161 140 F CB 0.984 40.010 39.000 0.044 0.000 1.115 140 F HN 0.466 nan 8.300 nan 0.000 0.507 141 L N 2.117 123.478 121.223 0.230 0.000 2.017 141 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 141 L C 1.595 178.404 176.870 -0.102 0.000 1.073 141 L CA 0.850 55.623 54.840 -0.113 0.000 0.745 141 L CB -0.220 41.870 42.059 0.052 0.000 0.894 141 L HN 0.703 nan 8.230 nan 0.000 0.432 142 S N -0.778 114.941 115.700 0.032 0.000 2.569 142 S HA -0.012 4.458 4.470 -0.000 0.000 0.274 142 S C 0.176 174.749 174.600 -0.045 0.000 1.353 142 S CA -0.456 57.736 58.200 -0.014 0.000 1.023 142 S CB 1.164 64.369 63.200 0.008 0.000 0.876 142 S HN 0.228 nan 8.310 nan 0.000 0.540 143 S N 1.297 116.953 115.700 -0.072 0.000 2.489 143 S HA 0.737 5.207 4.470 -0.000 0.000 0.291 143 S C -0.425 174.125 174.600 -0.085 0.000 1.151 143 S CA -0.467 57.686 58.200 -0.079 0.000 1.082 143 S CB 1.038 64.189 63.200 -0.083 0.000 1.019 143 S HN 0.904 nan 8.310 nan 0.000 0.492 144 T N 2.484 116.978 114.554 -0.100 0.000 2.731 144 T HA 0.268 4.618 4.350 -0.000 0.000 0.300 144 T C 0.579 175.217 174.700 -0.104 0.000 1.283 144 T CA -0.680 61.353 62.100 -0.112 0.000 1.005 144 T CB 1.413 70.180 68.868 -0.168 0.000 1.420 144 T HN 0.509 nan 8.240 nan 0.000 0.503 145 Q N -0.044 119.704 119.800 -0.085 0.000 2.230 145 Q HA 0.037 4.377 4.340 -0.000 0.000 0.202 145 Q C 1.747 177.702 176.000 -0.074 0.000 0.963 145 Q CA 1.131 56.901 55.803 -0.055 0.000 0.866 145 Q CB -0.027 28.701 28.738 -0.017 0.000 0.931 145 Q HN 0.649 nan 8.270 nan 0.000 0.452 146 A N 0.362 123.083 122.820 -0.165 0.000 2.303 146 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 146 A C 0.507 177.876 177.584 -0.359 0.000 1.205 146 A CA -0.008 51.862 52.037 -0.278 0.000 0.875 146 A CB 0.528 19.145 19.000 -0.637 0.000 0.910 146 A HN 0.224 nan 8.150 nan 0.000 0.501 147 Q N 0.432 120.061 119.800 -0.284 0.000 2.327 147 Q HA 0.242 4.582 4.340 -0.000 0.000 0.265 147 Q C -2.027 173.897 176.000 -0.126 0.000 0.993 147 Q CA -0.394 55.272 55.803 -0.227 0.000 0.885 147 Q CB 0.518 29.055 28.738 -0.334 0.000 1.379 147 Q HN 0.398 nan 8.270 nan 0.000 0.408 148 Q N 1.506 121.262 119.800 -0.072 0.000 2.286 148 Q HA 0.309 4.649 4.340 -0.000 0.000 0.257 148 Q C -0.075 175.917 176.000 -0.013 0.000 0.941 148 Q CA -0.115 55.665 55.803 -0.038 0.000 0.912 148 Q CB 1.470 30.198 28.738 -0.018 0.000 1.192 148 Q HN 0.684 nan 8.270 nan 0.000 0.410 149 S N 1.699 117.377 115.700 -0.036 0.000 2.560 149 S HA -0.043 4.427 4.470 -0.000 0.000 0.284 149 S C 0.688 175.268 174.600 -0.034 0.000 1.327 149 S CA -0.319 57.839 58.200 -0.070 0.000 1.055 149 S CB 0.328 63.442 63.200 -0.143 0.000 0.868 149 S HN 0.635 nan 8.310 nan 0.000 0.506 150 Y N 3.553 123.896 120.300 0.072 0.000 2.639 150 Y HA 0.197 4.747 4.550 -0.000 0.000 0.297 150 Y C 1.192 177.049 175.900 -0.070 0.000 1.151 150 Y CA 0.455 58.573 58.100 0.031 0.000 1.335 150 Y CB -0.640 37.908 38.460 0.147 0.000 0.994 150 Y HN 0.554 nan 8.280 nan 0.000 0.548 151 L N 0.510 121.694 121.223 -0.065 0.000 2.610 151 L HA -0.030 4.310 4.340 -0.000 0.000 0.232 151 L C 2.001 178.946 176.870 0.124 0.000 1.149 151 L CA 0.686 55.618 54.840 0.154 0.000 0.872 151 L CB -0.341 41.810 42.059 0.154 0.000 0.992 151 L HN 0.375 nan 8.230 nan 0.000 0.447 152 Q N -0.460 119.344 119.800 0.007 0.000 2.360 152 Q HA 0.040 4.380 4.340 -0.000 0.000 0.202 152 Q C 1.949 177.944 176.000 -0.007 0.000 0.915 152 Q CA 0.430 56.250 55.803 0.029 0.000 0.943 152 Q CB 0.623 29.373 28.738 0.021 0.000 1.064 152 Q HN 0.540 nan 8.270 nan 0.000 0.511 153 G N -0.121 108.581 108.800 -0.165 0.000 2.511 153 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.217 153 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.217 153 G C 0.385 175.209 174.900 -0.127 0.000 1.133 153 G CA -0.163 44.824 45.100 -0.187 0.000 0.792 153 G HN 0.107 nan 8.290 nan 0.000 0.539 154 F N 1.582 121.622 119.950 0.149 0.000 2.410 154 F HA 0.371 4.898 4.527 -0.000 0.000 0.334 154 F C 1.452 177.337 175.800 0.142 0.000 1.134 154 F CA -0.762 57.321 58.000 0.138 0.000 1.227 154 F CB 1.025 40.118 39.000 0.155 0.000 1.194 154 F HN 0.025 nan 8.300 nan 0.000 0.571 155 S N 0.812 116.716 115.700 0.340 0.000 2.617 155 S HA 0.039 4.509 4.470 -0.000 0.000 0.255 155 S C 0.923 175.703 174.600 0.300 0.000 1.318 155 S CA -0.437 57.929 58.200 0.278 0.000 0.978 155 S CB 0.330 63.644 63.200 0.190 0.000 0.961 155 S HN 0.722 nan 8.310 nan 0.000 0.582 156 H N 0.848 119.945 119.070 0.045 0.000 2.436 156 H HA -0.011 4.544 4.556 -0.000 0.000 0.294 156 H C 1.723 177.114 175.328 0.105 0.000 1.048 156 H CA 1.064 57.119 56.048 0.013 0.000 1.353 156 H CB -0.120 29.424 29.762 -0.364 0.000 1.414 156 H HN 0.609 nan 8.280 nan 0.000 0.536 157 N N 1.268 120.082 118.700 0.191 0.000 2.084 157 N HA -0.125 4.615 4.740 -0.000 0.000 0.190 157 N C 2.001 177.586 175.510 0.124 0.000 1.030 157 N CA 1.000 54.127 53.050 0.129 0.000 0.849 157 N CB -0.271 38.264 38.487 0.080 0.000 1.012 157 N HN 0.282 nan 8.380 nan 0.000 0.423 158 I N 1.172 121.816 120.570 0.124 0.000 2.315 158 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 158 I C 2.262 178.440 176.117 0.100 0.000 1.117 158 I CA 0.660 62.000 61.300 0.068 0.000 1.404 158 I CB -0.151 37.870 38.000 0.035 0.000 1.071 158 I HN 0.011 nan 8.210 nan 0.000 0.419 159 L N -0.217 121.144 121.223 0.230 0.000 2.109 159 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 159 L C 2.462 179.559 176.870 0.378 0.000 1.086 159 L CA 1.316 56.379 54.840 0.372 0.000 0.760 159 L CB -0.484 41.814 42.059 0.399 0.000 0.910 159 L HN 0.226 nan 8.230 nan 0.000 0.437 160 E N -0.648 119.733 120.200 0.302 0.000 2.110 160 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 160 E C 2.055 178.768 176.600 0.189 0.000 0.988 160 E CA 1.720 58.278 56.400 0.263 0.000 0.804 160 E CB 0.047 29.893 29.700 0.243 0.000 0.745 160 E HN 0.469 nan 8.360 nan 0.000 0.458 161 T N 0.283 114.910 114.554 0.121 0.000 2.770 161 T HA -0.086 4.264 4.350 -0.000 0.000 0.263 161 T C 2.124 176.811 174.700 -0.020 0.000 1.039 161 T CA 1.189 63.306 62.100 0.029 0.000 1.142 161 T CB -0.137 68.725 68.868 -0.009 0.000 0.868 161 T HN 0.058 nan 8.240 nan 0.000 0.435 162 S N 1.866 117.536 115.700 -0.050 0.000 2.363 162 S HA -0.063 4.407 4.470 -0.000 0.000 0.218 162 S C 1.610 176.107 174.600 -0.172 0.000 1.035 162 S CA 1.230 59.307 58.200 -0.205 0.000 1.043 162 S CB -0.815 62.131 63.200 -0.423 0.000 0.986 162 S HN 0.431 nan 8.310 nan 0.000 0.423 163 F N 1.186 121.153 119.950 0.028 0.000 2.722 163 F HA 0.071 4.598 4.527 -0.000 0.000 0.298 163 F C 1.088 176.962 175.800 0.124 0.000 1.175 163 F CA 0.658 58.690 58.000 0.053 0.000 1.462 163 F CB -1.350 37.667 39.000 0.028 0.000 1.111 163 F HN 0.403 nan 8.300 nan 0.000 0.592 164 H N -0.125 119.019 119.070 0.124 0.000 2.527 164 H HA -0.194 4.362 4.556 -0.000 0.000 0.321 164 H C -0.447 174.938 175.328 0.094 0.000 1.092 164 H CA 0.160 56.257 56.048 0.083 0.000 1.118 164 H CB -0.950 28.840 29.762 0.047 0.000 1.536 164 H HN 0.211 nan 8.280 nan 0.000 0.407 165 S N 0.238 116.090 115.700 0.254 0.000 2.550 165 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 165 S C -0.824 173.857 174.600 0.133 0.000 1.145 165 S CA -1.036 57.248 58.200 0.141 0.000 0.852 165 S CB 1.887 65.137 63.200 0.083 0.000 1.119 165 S HN 0.420 nan 8.310 nan 0.000 0.465 166 E N 0.920 121.177 120.200 0.094 0.000 2.392 166 E HA 0.153 4.503 4.350 -0.000 0.000 0.264 166 E C 0.403 177.069 176.600 0.109 0.000 1.024 166 E CA -0.038 56.432 56.400 0.117 0.000 0.903 166 E CB 0.337 30.088 29.700 0.085 0.000 0.963 166 E HN 0.542 nan 8.360 nan 0.000 0.432 167 F N 2.642 122.625 119.950 0.055 0.000 2.065 167 F HA -0.292 4.235 4.527 -0.000 0.000 0.298 167 F C 1.972 177.776 175.800 0.007 0.000 1.112 167 F CA 2.039 60.062 58.000 0.038 0.000 1.212 167 F CB 0.090 39.149 39.000 0.098 0.000 0.975 167 F HN 0.586 nan 8.300 nan 0.000 0.476 168 E N 0.084 120.334 120.200 0.084 0.000 2.208 168 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 168 E C 2.132 178.634 176.600 -0.164 0.000 1.014 168 E CA 1.866 58.254 56.400 -0.019 0.000 0.819 168 E CB -0.275 29.466 29.700 0.068 0.000 0.735 168 E HN 0.643 nan 8.360 nan 0.000 0.469 169 E N 0.057 120.166 120.200 -0.152 0.000 2.028 169 E HA -0.164 4.186 4.350 -0.000 0.000 0.190 169 E C 2.239 178.682 176.600 -0.261 0.000 0.984 169 E CA 1.249 57.554 56.400 -0.158 0.000 0.800 169 E CB -0.163 29.479 29.700 -0.097 0.000 0.758 169 E HN 0.457 nan 8.360 nan 0.000 0.448 170 I N -0.276 120.076 120.570 -0.365 0.000 2.163 170 I HA -0.277 3.893 4.170 -0.000 0.000 0.243 170 I C 2.382 178.183 176.117 -0.526 0.000 1.085 170 I CA 2.049 63.061 61.300 -0.480 0.000 1.347 170 I CB -0.804 36.857 38.000 -0.565 0.000 1.044 170 I HN 0.107 nan 8.210 nan 0.000 0.408 171 N N 1.090 119.347 118.700 -0.738 0.000 2.223 171 N HA -0.206 4.534 4.740 -0.000 0.000 0.185 171 N C 2.133 177.465 175.510 -0.298 0.000 1.016 171 N CA 0.835 53.533 53.050 -0.585 0.000 0.863 171 N CB -0.053 38.007 38.487 -0.711 0.000 0.983 171 N HN 0.426 nan 8.380 nan 0.000 0.429 172 R N 0.085 120.429 120.500 -0.259 0.000 2.153 172 R HA 0.034 4.374 4.340 -0.000 0.000 0.218 172 R C 1.317 177.530 176.300 -0.146 0.000 1.072 172 R CA 0.734 56.740 56.100 -0.157 0.000 0.990 172 R CB 0.331 30.558 30.300 -0.122 0.000 0.889 172 R HN 0.192 nan 8.270 nan 0.000 0.452 173 V N -0.094 119.710 119.914 -0.184 0.000 3.477 173 V HA 0.106 4.226 4.120 -0.000 0.000 0.297 173 V C 1.477 177.465 176.094 -0.177 0.000 1.433 173 V CA 0.342 62.547 62.300 -0.157 0.000 1.052 173 V CB 0.627 32.364 31.823 -0.143 0.000 0.895 173 V HN 0.167 nan 8.190 nan 0.000 0.438 174 L N -1.305 119.784 121.223 -0.224 0.000 2.664 174 L HA 0.327 4.667 4.340 -0.000 0.000 0.198 174 L C 0.478 177.240 176.870 -0.179 0.000 1.057 174 L CA 0.281 54.989 54.840 -0.221 0.000 0.871 174 L CB 0.382 42.244 42.059 -0.329 0.000 1.364 174 L HN 0.216 nan 8.230 nan 0.000 0.483 187 V N -2.121 117.678 119.914 -0.192 0.000 3.129 187 V HA 0.446 4.566 4.120 -0.000 0.000 0.259 187 V C 0.923 176.990 176.094 -0.045 0.000 1.116 187 V CA 0.818 62.927 62.300 -0.318 0.000 1.127 187 V CB -0.536 30.821 31.823 -0.777 0.000 0.742 187 V HN 0.413 nan 8.190 nan 0.000 0.474 188 I N 2.589 123.221 120.570 0.103 0.000 2.502 188 I HA 0.459 4.629 4.170 -0.000 0.000 0.276 188 I C -0.343 175.831 176.117 0.095 0.000 1.057 188 I CA -0.519 60.866 61.300 0.141 0.000 1.163 188 I CB 1.682 39.810 38.000 0.213 0.000 1.288 188 I HN 0.201 nan 8.210 nan 0.000 0.479 189 V N 2.324 122.273 119.914 0.058 0.000 3.093 189 V HA 0.555 4.675 4.120 -0.000 0.000 0.320 189 V C 0.257 176.369 176.094 0.030 0.000 1.093 189 V CA -0.417 61.904 62.300 0.035 0.000 1.016 189 V CB 1.948 33.779 31.823 0.013 0.000 1.096 189 V HN 0.626 nan 8.190 nan 0.000 0.452 190 E N 0.260 120.471 120.200 0.018 0.000 2.569 190 E HA 0.348 4.698 4.350 -0.000 0.000 0.258 190 E C -0.762 175.845 176.600 0.012 0.000 1.390 190 E CA -0.077 56.332 56.400 0.015 0.000 1.049 190 E CB 0.765 30.470 29.700 0.008 0.000 1.009 190 E HN 0.613 nan 8.360 nan 0.000 0.580 191 L N -1.135 120.094 121.223 0.011 0.000 2.542 191 L HA 0.507 4.847 4.340 -0.000 0.000 0.239 191 L C -1.221 175.652 176.870 0.004 0.000 1.256 191 L CA -0.390 54.455 54.840 0.008 0.000 1.282 191 L CB 1.532 43.600 42.059 0.015 0.000 1.667 191 L HN 0.592 nan 8.230 nan 0.000 0.484 192 S N -1.121 114.581 115.700 0.004 0.000 2.565 192 S HA 0.335 4.805 4.470 -0.000 0.000 0.269 192 S C 0.038 174.639 174.600 0.002 0.000 1.153 192 S CA -0.604 57.597 58.200 0.002 0.000 0.835 192 S CB 1.935 65.134 63.200 -0.002 0.000 1.122 192 S HN 0.544 nan 8.310 nan 0.000 0.462 193 K N 1.414 121.815 120.400 0.001 0.000 2.009 193 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 193 K C 1.401 178.000 176.600 -0.002 0.000 1.049 193 K CA 1.769 58.055 56.287 -0.002 0.000 0.929 193 K CB -0.262 32.237 32.500 -0.002 0.000 0.714 193 K HN 0.717 nan 8.250 nan 0.000 0.440 194 E N 0.629 120.828 120.200 -0.002 0.000 2.035 194 E HA -0.250 4.100 4.350 -0.000 0.000 0.204 194 E C 2.245 178.845 176.600 -0.000 0.000 1.025 194 E CA 2.010 58.409 56.400 -0.002 0.000 0.835 194 E CB -0.141 29.558 29.700 -0.003 0.000 0.764 194 E HN 0.475 nan 8.360 nan 0.000 0.457 195 Q N 0.037 119.837 119.800 -0.001 0.000 2.062 195 Q HA -0.223 4.117 4.340 -0.000 0.000 0.209 195 Q C 2.445 178.450 176.000 0.009 0.000 0.996 195 Q CA 1.637 57.440 55.803 0.000 0.000 0.859 195 Q CB -0.457 28.279 28.738 -0.004 0.000 0.920 195 Q HN 0.389 nan 8.270 nan 0.000 0.415 196 I N 0.491 121.067 120.570 0.010 0.000 2.076 196 I HA -0.323 3.847 4.170 -0.000 0.000 0.237 196 I C 2.761 178.884 176.117 0.011 0.000 1.059 196 I CA 1.401 62.709 61.300 0.014 0.000 1.317 196 I CB -0.399 37.605 38.000 0.006 0.000 1.037 196 I HN 0.166 nan 8.210 nan 0.000 0.398 197 R N 0.219 120.720 120.500 0.003 0.000 2.133 197 R HA -0.317 4.023 4.340 -0.000 0.000 0.245 197 R C 2.393 178.698 176.300 0.007 0.000 1.137 197 R CA 2.385 58.486 56.100 0.001 0.000 0.947 197 R CB -0.413 29.885 30.300 -0.002 0.000 0.865 197 R HN 0.361 nan 8.270 nan 0.000 0.437 198 Q N 0.294 120.099 119.800 0.009 0.000 1.985 198 Q HA -0.187 4.153 4.340 -0.000 0.000 0.207 198 Q C 2.106 178.119 176.000 0.022 0.000 0.996 198 Q CA 2.152 57.963 55.803 0.012 0.000 0.851 198 Q CB -0.197 28.547 28.738 0.010 0.000 0.921 198 Q HN 0.364 nan 8.270 nan 0.000 0.418 199 L N -0.092 121.150 121.223 0.033 0.000 2.191 199 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 199 L C 2.334 179.234 176.870 0.049 0.000 1.103 199 L CA 1.037 55.911 54.840 0.057 0.000 0.769 199 L CB -0.428 41.681 42.059 0.082 0.000 0.908 199 L HN 0.160 nan 8.230 nan 0.000 0.438 200 S N -1.005 114.714 115.700 0.032 0.000 2.357 200 S HA -0.065 4.405 4.470 -0.000 0.000 0.221 200 S C 1.109 175.716 174.600 0.012 0.000 1.031 200 S CA 0.325 58.537 58.200 0.020 0.000 0.982 200 S CB -0.292 62.913 63.200 0.009 0.000 0.853 200 S HN 0.292 nan 8.310 nan 0.000 0.458 201 R N 1.746 122.252 120.500 0.010 0.000 2.566 201 R HA 0.022 4.361 4.340 -0.000 0.000 0.273 201 R C 0.028 176.329 176.300 0.002 0.000 0.981 201 R CA 0.311 56.414 56.100 0.005 0.000 1.091 201 R CB 0.004 30.308 30.300 0.005 0.000 0.924 201 R HN 0.225 nan 8.270 nan 0.000 0.411 202 R N 1.458 121.957 120.500 -0.003 0.000 2.496 202 R HA -0.216 4.124 4.340 -0.000 0.000 0.326 202 R C -2.073 174.210 176.300 -0.028 0.000 1.032 202 R CA 1.083 57.175 56.100 -0.013 0.000 0.827 202 R CB -1.280 29.013 30.300 -0.013 0.000 2.368 202 R HN 0.760 nan 8.270 nan 0.000 0.490 203 A N 4.785 127.587 122.820 -0.031 0.000 2.839 203 A HA 0.372 4.692 4.320 -0.000 0.000 0.303 203 A C -0.348 177.212 177.584 -0.040 0.000 1.181 203 A CA -0.313 51.691 52.037 -0.056 0.000 0.808 203 A CB 0.604 19.587 19.000 -0.027 0.000 1.391 203 A HN 0.543 nan 8.150 nan 0.000 0.433 204 K N 1.480 121.834 120.400 -0.076 0.000 2.511 204 K HA 0.192 4.511 4.320 -0.000 0.000 0.277 204 K C 0.383 177.031 176.600 0.080 0.000 1.025 204 K CA 1.241 57.521 56.287 -0.011 0.000 1.112 204 K CB 0.149 32.624 32.500 -0.042 0.000 0.859 204 K HN 0.793 nan 8.250 nan 0.000 0.485 205 S N 2.009 117.781 115.700 0.119 0.000 2.542 205 S HA 0.378 4.848 4.470 -0.000 0.000 0.293 205 S C -0.731 173.971 174.600 0.170 0.000 1.089 205 S CA -0.949 57.357 58.200 0.177 0.000 0.961 205 S CB 1.547 64.878 63.200 0.219 0.000 1.062 205 S HN 0.679 nan 8.310 nan 0.000 0.483 206 S N 1.529 117.337 115.700 0.181 0.000 2.605 206 S HA 0.305 4.774 4.470 -0.000 0.000 0.309 206 S C 0.309 174.964 174.600 0.093 0.000 1.257 206 S CA 0.067 58.348 58.200 0.136 0.000 1.033 206 S CB -0.406 62.861 63.200 0.113 0.000 0.742 206 S HN 1.895 nan 8.310 nan 0.000 0.487 207 S N 1.666 117.416 115.700 0.085 0.000 2.611 207 S HA 0.441 4.911 4.470 -0.000 0.000 0.268 207 S C 0.414 175.049 174.600 0.059 0.000 1.156 207 S CA -1.069 57.164 58.200 0.055 0.000 0.817 207 S CB 0.865 64.097 63.200 0.053 0.000 1.122 207 S HN 0.701 nan 8.310 nan 0.000 0.466 208 R N 0.949 121.474 120.500 0.041 0.000 2.193 208 R HA 0.025 4.365 4.340 -0.000 0.000 0.229 208 R C 0.614 176.940 176.300 0.044 0.000 1.110 208 R CA 1.278 57.403 56.100 0.041 0.000 0.988 208 R CB -0.346 29.971 30.300 0.029 0.000 0.871 208 R HN 0.566 nan 8.270 nan 0.000 0.458 209 K N 0.309 120.735 120.400 0.044 0.000 2.994 209 K HA 0.145 4.465 4.320 -0.000 0.000 0.231 209 K C 0.267 176.900 176.600 0.055 0.000 1.174 209 K CA 0.175 56.487 56.287 0.041 0.000 1.221 209 K CB 0.927 33.448 32.500 0.036 0.000 1.166 209 K HN -0.149 nan 8.250 nan 0.000 0.453 210 T N 0.464 115.060 114.554 0.070 0.000 3.192 210 T HA 0.195 4.545 4.350 -0.000 0.000 0.295 210 T C 1.337 176.096 174.700 0.098 0.000 0.947 210 T CA -0.291 61.867 62.100 0.096 0.000 0.916 210 T CB 0.211 69.158 68.868 0.132 0.000 1.169 210 T HN 0.118 nan 8.240 nan 0.000 0.540 211 I N 0.869 121.469 120.570 0.049 0.000 2.162 211 I HA 0.014 4.184 4.170 -0.000 0.000 0.238 211 I C 1.682 177.697 176.117 -0.169 0.000 1.076 211 I CA 1.143 62.424 61.300 -0.031 0.000 1.353 211 I CB -1.291 36.702 38.000 -0.012 0.000 1.063 211 I HN 0.094 nan 8.210 nan 0.000 0.408 212 S N 1.079 116.721 115.700 -0.096 0.000 2.859 212 S HA 0.111 4.581 4.470 -0.000 0.000 0.245 212 S C 0.743 175.297 174.600 -0.076 0.000 1.008 212 S CA -0.082 58.056 58.200 -0.104 0.000 1.089 212 S CB -0.313 62.852 63.200 -0.057 0.000 0.798 212 S HN 0.242 nan 8.310 nan 0.000 0.477 213 S N 1.155 116.814 115.700 -0.069 0.000 2.687 213 S HA 0.243 4.713 4.470 -0.000 0.000 0.283 213 S C 1.005 175.590 174.600 -0.025 0.000 1.170 213 S CA -0.738 57.453 58.200 -0.016 0.000 1.008 213 S CB 0.937 64.160 63.200 0.038 0.000 1.026 213 S HN 0.543 nan 8.310 nan 0.000 0.541 214 E N 0.914 121.116 120.200 0.004 0.000 2.307 214 E HA 0.058 4.408 4.350 -0.000 0.000 0.195 214 E C 0.127 176.740 176.600 0.022 0.000 0.975 214 E CA 0.420 56.823 56.400 0.005 0.000 0.878 214 E CB 0.156 29.859 29.700 0.004 0.000 0.845 214 E HN 0.514 nan 8.360 nan 0.000 0.488 215 D N 1.521 121.948 120.400 0.045 0.000 2.584 215 D HA -0.004 4.636 4.640 -0.000 0.000 0.254 215 D C 0.224 176.512 176.300 -0.020 0.000 1.085 215 D CA 0.313 54.347 54.000 0.057 0.000 0.971 215 D CB -0.014 40.874 40.800 0.145 0.000 1.103 215 D HN -0.001 nan 8.370 nan 0.000 0.453 216 E N 1.625 121.879 120.200 0.090 0.000 2.438 216 E HA 0.114 4.464 4.350 -0.000 0.000 0.261 216 E C -2.208 174.391 176.600 -0.000 0.000 1.103 216 E CA -0.923 55.509 56.400 0.054 0.000 0.959 216 E CB 0.260 30.096 29.700 0.226 0.000 0.958 216 E HN 0.138 nan 8.360 nan 0.000 0.447 217 P HA 0.159 nan 4.420 nan 0.000 0.281 217 P C -1.189 176.201 177.300 0.151 0.000 1.249 217 P CA -0.296 62.790 63.100 -0.023 0.000 0.810 217 P CB 0.502 32.109 31.700 -0.155 0.000 1.008 218 F N -0.794 119.163 119.950 0.012 0.000 2.598 218 F HA 0.679 5.206 4.527 -0.000 0.000 0.327 218 F C -0.457 175.370 175.800 0.044 0.000 1.057 218 F CA -1.680 56.341 58.000 0.035 0.000 0.957 218 F CB 0.799 39.825 39.000 0.043 0.000 1.278 218 F HN 0.173 nan 8.300 nan 0.000 0.484 219 N N 1.236 120.014 118.700 0.130 0.000 2.372 219 N HA 0.394 5.134 4.740 -0.000 0.000 0.291 219 N C 0.551 176.116 175.510 0.093 0.000 1.024 219 N CA -0.697 52.370 53.050 0.029 0.000 0.873 219 N CB 1.228 39.709 38.487 -0.011 0.000 1.206 219 N HN 0.678 nan 8.380 nan 0.000 0.486 220 L N 2.736 124.004 121.223 0.075 0.000 1.955 220 L HA -0.120 4.220 4.340 -0.000 0.000 0.213 220 L C 1.862 178.652 176.870 -0.133 0.000 1.072 220 L CA 1.699 56.571 54.840 0.053 0.000 0.755 220 L CB -0.738 41.349 42.059 0.047 0.000 0.888 220 L HN 0.694 nan 8.230 nan 0.000 0.432 221 R N 0.320 120.582 120.500 -0.398 0.000 2.293 221 R HA -0.084 4.255 4.340 -0.000 0.000 0.219 221 R C 2.011 178.173 176.300 -0.230 0.000 1.091 221 R CA 0.962 56.660 56.100 -0.671 0.000 1.004 221 R CB -0.309 29.536 30.300 -0.759 0.000 0.865 221 R HN 0.455 nan 8.270 nan 0.000 0.469 222 S N -0.183 115.457 115.700 -0.099 0.000 2.803 222 S HA 0.076 4.546 4.470 -0.000 0.000 0.226 222 S C 0.531 175.148 174.600 0.029 0.000 0.962 222 S CA -0.146 58.040 58.200 -0.023 0.000 0.968 222 S CB -0.010 63.189 63.200 -0.000 0.000 0.786 222 S HN 0.133 nan 8.310 nan 0.000 0.527 223 R N 0.212 120.743 120.500 0.052 0.000 2.888 223 R HA 0.424 4.764 4.340 -0.000 0.000 0.264 223 R C -1.119 175.300 176.300 0.198 0.000 1.045 223 R CA -0.913 55.254 56.100 0.113 0.000 0.962 223 R CB 0.853 31.231 30.300 0.130 0.000 1.210 223 R HN 0.227 nan 8.270 nan 0.000 0.479 224 N N 2.651 121.452 118.700 0.168 0.000 2.488 224 N HA 0.223 4.963 4.740 -0.000 0.000 0.274 224 N C -2.310 173.306 175.510 0.176 0.000 1.111 224 N CA -1.070 52.082 53.050 0.171 0.000 0.974 224 N CB 0.940 39.478 38.487 0.084 0.000 1.089 224 N HN 0.328 nan 8.380 nan 0.000 0.465 225 P HA 0.123 nan 4.420 nan 0.000 0.271 225 P C 0.796 178.017 177.300 -0.132 0.000 1.216 225 P CA -0.283 62.680 63.100 -0.228 0.000 0.776 225 P CB 0.770 31.936 31.700 -0.890 0.000 0.881 226 I N -0.134 120.338 120.570 -0.164 0.000 2.439 226 I HA -0.030 4.140 4.170 -0.000 0.000 0.251 226 I C 0.443 176.457 176.117 -0.171 0.000 1.139 226 I CA 1.166 62.326 61.300 -0.234 0.000 1.438 226 I CB -0.901 36.821 38.000 -0.463 0.000 1.085 226 I HN 0.122 nan 8.210 nan 0.000 0.427 227 Y N 1.574 121.731 120.300 -0.238 0.000 2.376 227 Y HA 0.701 5.251 4.550 -0.000 0.000 0.340 227 Y C 0.059 175.907 175.900 -0.087 0.000 0.965 227 Y CA -2.352 55.536 58.100 -0.354 0.000 1.078 227 Y CB 1.657 39.815 38.460 -0.502 0.000 1.193 227 Y HN 0.138 nan 8.280 nan 0.000 0.452 228 S N 2.549 118.324 115.700 0.125 0.000 2.586 228 S HA 0.661 5.131 4.470 -0.000 0.000 0.296 228 S C -1.569 173.079 174.600 0.080 0.000 1.120 228 S CA -0.886 57.344 58.200 0.050 0.000 0.927 228 S CB 1.006 64.156 63.200 -0.084 0.000 1.114 228 S HN 0.791 nan 8.310 nan 0.000 0.453 229 N N 1.588 120.332 118.700 0.074 0.000 2.774 229 N HA 0.416 5.156 4.740 -0.000 0.000 0.264 229 N C -0.210 175.260 175.510 -0.068 0.000 1.415 229 N CA -1.224 51.866 53.050 0.066 0.000 0.815 229 N CB -0.292 38.322 38.487 0.212 0.000 1.514 229 N HN 0.507 nan 8.380 nan 0.000 0.523 230 N N -1.134 117.445 118.700 -0.202 0.000 2.659 230 N HA -0.039 4.701 4.740 -0.000 0.000 0.194 230 N C -0.392 174.714 175.510 -0.673 0.000 1.140 230 N CA 1.000 53.777 53.050 -0.455 0.000 0.936 230 N CB -0.403 37.724 38.487 -0.600 0.000 0.970 230 N HN 0.387 nan 8.380 nan 0.000 0.449 231 F N -1.030 118.889 119.950 -0.051 0.000 2.728 231 F HA 0.418 4.945 4.527 -0.000 0.000 0.314 231 F C 1.294 176.951 175.800 -0.238 0.000 1.094 231 F CA -0.198 57.762 58.000 -0.066 0.000 1.217 231 F CB 0.812 39.833 39.000 0.035 0.000 1.056 231 F HN -0.086 nan 8.300 nan 0.000 0.577 232 G N 0.003 108.624 108.800 -0.298 0.000 2.316 232 G HA2 0.433 4.393 3.960 -0.000 0.000 0.296 232 G HA3 0.433 4.393 3.960 -0.000 0.000 0.296 232 G C -1.820 172.618 174.900 -0.771 0.000 1.399 232 G CA -1.052 43.595 45.100 -0.756 0.000 0.833 232 G HN -0.111 nan 8.290 nan 0.000 0.565 233 K N -0.651 119.323 120.400 -0.710 0.000 2.422 233 K HA 0.623 4.943 4.320 -0.000 0.000 0.251 233 K C -1.936 174.471 176.600 -0.322 0.000 0.933 233 K CA -0.728 55.277 56.287 -0.469 0.000 0.798 233 K CB 2.822 35.007 32.500 -0.524 0.000 1.238 233 K HN 0.331 nan 8.250 nan 0.000 0.428 234 F N 3.234 122.988 119.950 -0.327 0.000 2.460 234 F HA 0.463 4.990 4.527 -0.000 0.000 0.341 234 F C -1.396 174.159 175.800 -0.409 0.000 1.130 234 F CA -0.692 57.210 58.000 -0.163 0.000 0.962 234 F CB 0.620 39.679 39.000 0.098 0.000 1.171 234 F HN 0.363 nan 8.300 nan 0.000 0.436 235 F N 4.135 124.017 119.950 -0.113 0.000 2.427 235 F HA 0.482 5.009 4.527 -0.000 0.000 0.346 235 F C -0.456 175.315 175.800 -0.047 0.000 1.120 235 F CA -0.624 57.348 58.000 -0.046 0.000 1.033 235 F CB 1.700 40.659 39.000 -0.068 0.000 1.126 235 F HN 0.472 nan 8.300 nan 0.000 0.462 236 E N 3.521 123.857 120.200 0.226 0.000 2.321 236 E HA 0.658 5.008 4.350 -0.000 0.000 0.281 236 E C -1.791 174.900 176.600 0.152 0.000 0.910 236 E CA -0.801 55.702 56.400 0.172 0.000 0.770 236 E CB 1.753 31.541 29.700 0.147 0.000 1.225 236 E HN 0.536 nan 8.360 nan 0.000 0.417 237 I N 1.631 122.319 120.570 0.197 0.000 2.530 237 I HA 0.616 4.786 4.170 -0.000 0.000 0.297 237 I C -0.206 176.031 176.117 0.200 0.000 1.011 237 I CA -0.930 60.481 61.300 0.185 0.000 1.107 237 I CB 2.102 40.255 38.000 0.254 0.000 1.285 237 I HN 0.719 nan 8.210 nan 0.000 0.436 238 T N 0.344 114.977 114.554 0.131 0.000 2.916 238 T HA 0.442 4.792 4.350 -0.000 0.000 0.292 238 T C -2.379 172.380 174.700 0.098 0.000 1.055 238 T CA -2.151 60.035 62.100 0.145 0.000 1.009 238 T CB 1.930 70.848 68.868 0.084 0.000 1.118 238 T HN 0.261 nan 8.240 nan 0.000 0.497 239 P HA -0.051 nan 4.420 nan 0.000 0.224 239 P C 0.851 178.171 177.300 0.033 0.000 1.142 239 P CA 0.896 64.038 63.100 0.069 0.000 0.778 239 P CB 0.079 31.831 31.700 0.085 0.000 0.764 240 E N -0.730 119.490 120.200 0.034 0.000 2.170 240 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 240 E C 1.646 178.244 176.600 -0.003 0.000 0.981 240 E CA 1.028 57.437 56.400 0.016 0.000 0.830 240 E CB -0.178 29.533 29.700 0.018 0.000 0.775 240 E HN 0.280 nan 8.360 nan 0.000 0.470 241 K N -0.500 119.894 120.400 -0.010 0.000 2.308 241 K HA 0.132 4.452 4.320 -0.000 0.000 0.197 241 K C 0.298 176.842 176.600 -0.094 0.000 1.049 241 K CA 0.182 56.448 56.287 -0.035 0.000 0.991 241 K CB 0.346 32.835 32.500 -0.018 0.000 0.836 241 K HN -0.084 nan 8.250 nan 0.000 0.500 242 N N 0.976 119.595 118.700 -0.134 0.000 2.479 242 N HA 0.140 4.880 4.740 -0.000 0.000 0.261 242 N C -2.349 173.053 175.510 -0.180 0.000 0.979 242 N CA -2.157 50.731 53.050 -0.269 0.000 0.930 242 N CB 1.575 39.716 38.487 -0.577 0.000 1.172 242 N HN -0.278 nan 8.380 nan 0.000 0.499 243 P HA -0.270 nan 4.420 nan 0.000 0.217 243 P C 0.791 178.058 177.300 -0.056 0.000 1.162 243 P CA 1.585 64.639 63.100 -0.076 0.000 0.901 243 P CB 0.224 31.887 31.700 -0.063 0.000 0.793 244 Q N -1.701 118.055 119.800 -0.074 0.000 2.248 244 Q HA -0.164 4.176 4.340 -0.000 0.000 0.208 244 Q C 1.787 177.817 176.000 0.050 0.000 0.984 244 Q CA 1.004 56.813 55.803 0.009 0.000 0.875 244 Q CB -0.456 28.338 28.738 0.093 0.000 0.910 244 Q HN 0.171 nan 8.270 nan 0.000 0.433 245 L N -0.488 120.750 121.223 0.025 0.000 2.162 245 L HA -0.035 4.305 4.340 -0.000 0.000 0.205 245 L C 2.215 179.122 176.870 0.061 0.000 1.086 245 L CA 1.403 56.295 54.840 0.086 0.000 0.778 245 L CB -0.785 41.336 42.059 0.102 0.000 0.928 245 L HN 0.089 nan 8.230 nan 0.000 0.446 246 R N 0.193 120.708 120.500 0.026 0.000 2.081 246 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 246 R C 1.795 178.111 176.300 0.027 0.000 1.131 246 R CA 1.520 57.636 56.100 0.026 0.000 0.960 246 R CB -0.138 30.167 30.300 0.007 0.000 0.856 246 R HN 0.231 nan 8.270 nan 0.000 0.436 247 D N -0.182 120.229 120.400 0.018 0.000 2.263 247 D HA -0.118 4.522 4.640 -0.000 0.000 0.208 247 D C 1.436 177.748 176.300 0.021 0.000 0.971 247 D CA 1.068 55.076 54.000 0.013 0.000 0.867 247 D CB 0.185 40.987 40.800 0.004 0.000 0.929 247 D HN 0.345 nan 8.370 nan 0.000 0.492 248 L N -0.738 120.509 121.223 0.041 0.000 2.575 248 L HA 0.086 4.425 4.340 -0.000 0.000 0.228 248 L C 0.026 176.941 176.870 0.074 0.000 1.075 248 L CA -0.098 54.775 54.840 0.055 0.000 0.867 248 L CB 0.290 42.392 42.059 0.072 0.000 1.097 248 L HN -0.124 nan 8.230 nan 0.000 0.485 249 D N 1.442 121.885 120.400 0.072 0.000 2.956 249 D HA -0.200 4.440 4.640 -0.000 0.000 0.240 249 D C -0.709 175.641 176.300 0.084 0.000 1.141 249 D CA 0.573 54.620 54.000 0.079 0.000 0.820 249 D CB -0.842 39.998 40.800 0.068 0.000 0.988 249 D HN 0.210 nan 8.370 nan 0.000 0.417 250 I N 2.123 122.753 120.570 0.101 0.000 2.610 250 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 250 I C 0.127 176.329 176.117 0.141 0.000 1.163 250 I CA -1.261 60.078 61.300 0.065 0.000 1.044 250 I CB 1.288 39.328 38.000 0.068 0.000 1.251 250 I HN 0.122 nan 8.210 nan 0.000 0.424 251 F N 6.206 126.232 119.950 0.127 0.000 2.379 251 F HA 0.797 5.324 4.527 -0.000 0.000 0.332 251 F C -1.296 174.584 175.800 0.134 0.000 1.096 251 F CA -0.705 57.371 58.000 0.127 0.000 1.105 251 F CB 0.834 39.898 39.000 0.106 0.000 1.189 251 F HN 0.183 nan 8.300 nan 0.000 0.515 252 L N 3.444 124.923 121.223 0.426 0.000 2.334 252 L HA 0.640 4.980 4.340 -0.000 0.000 0.276 252 L C -0.642 176.379 176.870 0.251 0.000 1.014 252 L CA -0.630 54.328 54.840 0.198 0.000 0.815 252 L CB 2.191 44.324 42.059 0.124 0.000 1.268 252 L HN 0.981 nan 8.230 nan 0.000 0.428 253 S N 0.798 116.536 115.700 0.064 0.000 2.543 253 S HA 0.611 5.080 4.470 -0.000 0.000 0.271 253 S C -1.052 173.425 174.600 -0.206 0.000 1.148 253 S CA -0.705 57.498 58.200 0.005 0.000 0.914 253 S CB 1.928 65.204 63.200 0.127 0.000 1.096 253 S HN 0.410 nan 8.310 nan 0.000 0.471 254 S N 1.491 117.069 115.700 -0.203 0.000 2.532 254 S HA 0.809 5.279 4.470 -0.000 0.000 0.299 254 S C -0.487 173.974 174.600 -0.231 0.000 1.105 254 S CA -0.355 57.706 58.200 -0.232 0.000 1.018 254 S CB 1.003 64.140 63.200 -0.105 0.000 1.021 254 S HN 1.715 nan 8.310 nan 0.000 0.483 255 V N 1.315 120.914 119.914 -0.526 0.000 3.074 255 V HA 0.792 4.912 4.120 -0.000 0.000 0.314 255 V C -1.517 174.355 176.094 -0.371 0.000 1.117 255 V CA -0.854 61.157 62.300 -0.481 0.000 1.014 255 V CB 2.277 33.737 31.823 -0.604 0.000 1.057 255 V HN 0.726 nan 8.190 nan 0.000 0.438 256 D N 2.466 122.701 120.400 -0.276 0.000 2.629 256 D HA 0.643 5.283 4.640 -0.000 0.000 0.250 256 D C -0.914 175.217 176.300 -0.281 0.000 1.126 256 D CA 0.104 53.980 54.000 -0.206 0.000 0.852 256 D CB 2.415 43.145 40.800 -0.117 0.000 1.335 256 D HN 0.646 nan 8.370 nan 0.000 0.518 257 I N 1.840 122.338 120.570 -0.120 0.000 2.478 257 I HA 0.201 4.371 4.170 -0.000 0.000 0.287 257 I C -0.235 175.898 176.117 0.027 0.000 1.042 257 I CA -0.777 60.499 61.300 -0.040 0.000 1.067 257 I CB 1.748 39.847 38.000 0.165 0.000 1.233 257 I HN 0.056 nan 8.210 nan 0.000 0.431 258 N N 4.708 123.430 118.700 0.035 0.000 2.513 258 N HA 0.186 4.926 4.740 -0.000 0.000 0.274 258 N C -0.290 175.277 175.510 0.094 0.000 1.189 258 N CA -0.809 52.277 53.050 0.060 0.000 0.975 258 N CB 0.766 39.286 38.487 0.056 0.000 1.157 258 N HN 0.586 nan 8.380 nan 0.000 0.465 259 E N 0.428 120.675 120.200 0.078 0.000 2.653 259 E HA -0.073 4.277 4.350 -0.000 0.000 0.264 259 E C 1.108 177.760 176.600 0.087 0.000 0.949 259 E CA 1.063 57.509 56.400 0.077 0.000 0.953 259 E CB -0.121 29.616 29.700 0.061 0.000 0.925 259 E HN 0.734 nan 8.360 nan 0.000 0.475 260 G N 2.903 111.748 108.800 0.074 0.000 2.900 260 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.223 260 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.223 260 G C 0.601 175.530 174.900 0.049 0.000 1.293 260 G CA 0.292 45.428 45.100 0.059 0.000 0.792 260 G HN 1.177 nan 8.290 nan 0.000 0.527 261 A N 0.566 123.438 122.820 0.086 0.000 2.482 261 A HA 0.643 4.963 4.320 -0.000 0.000 0.249 261 A C 0.435 178.076 177.584 0.095 0.000 1.114 261 A CA 1.448 53.527 52.037 0.070 0.000 0.797 261 A CB 0.029 19.149 19.000 0.201 0.000 1.067 261 A HN 2.269 nan 8.150 nan 0.000 0.514 262 L N -1.331 119.963 121.223 0.119 0.000 2.591 262 L HA 0.628 4.968 4.340 -0.000 0.000 0.257 262 L C -1.380 175.577 176.870 0.145 0.000 0.935 262 L CA -1.068 53.853 54.840 0.135 0.000 0.873 262 L CB 1.505 43.591 42.059 0.046 0.000 1.397 262 L HN 0.640 nan 8.230 nan 0.000 0.414 263 L N 3.773 125.082 121.223 0.144 0.000 2.385 263 L HA 0.401 4.741 4.340 -0.000 0.000 0.281 263 L C -0.148 176.652 176.870 -0.115 0.000 1.106 263 L CA 0.213 55.018 54.840 -0.058 0.000 0.856 263 L CB 0.405 42.494 42.059 0.050 0.000 1.186 263 L HN 0.628 nan 8.230 nan 0.000 0.453 264 L N 8.139 129.255 121.223 -0.178 0.000 2.593 264 L HA 0.037 4.376 4.340 -0.000 0.000 0.287 264 L C -1.615 175.303 176.870 0.080 0.000 1.243 264 L CA -1.296 53.501 54.840 -0.072 0.000 0.890 264 L CB -0.093 41.863 42.059 -0.173 0.000 1.134 264 L HN 0.542 nan 8.230 nan 0.000 0.502 265 P HA -0.041 nan 4.420 nan 0.000 0.261 265 P C -0.949 176.476 177.300 0.208 0.000 1.173 265 P CA 0.698 63.871 63.100 0.121 0.000 0.760 265 P CB 0.276 32.023 31.700 0.079 0.000 0.783 266 H N 1.400 120.353 119.070 -0.194 0.000 2.928 266 H HA 0.710 5.266 4.556 -0.000 0.000 0.285 266 H C -1.167 174.166 175.328 0.008 0.000 1.438 266 H CA -1.192 54.656 56.048 -0.334 0.000 1.176 266 H CB 0.907 30.006 29.762 -1.105 0.000 1.864 266 H HN 0.388 nan 8.280 nan 0.000 0.567 267 F N -0.379 119.420 119.950 -0.251 0.000 2.622 267 F HA 0.439 4.965 4.527 -0.000 0.000 0.318 267 F C -1.573 174.188 175.800 -0.065 0.000 1.135 267 F CA -0.973 56.954 58.000 -0.122 0.000 1.015 267 F CB 1.344 40.338 39.000 -0.011 0.000 1.275 267 F HN 0.353 nan 8.300 nan 0.000 0.457 268 N N 2.325 121.112 118.700 0.146 0.000 2.520 268 N HA 0.086 4.826 4.740 -0.000 0.000 0.273 268 N C 0.987 176.630 175.510 0.220 0.000 1.155 268 N CA 0.693 53.806 53.050 0.105 0.000 0.967 268 N CB 1.972 40.548 38.487 0.148 0.000 1.092 268 N HN 0.917 nan 8.380 nan 0.000 0.457 269 S N 2.911 118.695 115.700 0.139 0.000 2.355 269 S HA -0.156 4.314 4.470 -0.000 0.000 0.222 269 S C 1.114 175.806 174.600 0.154 0.000 1.031 269 S CA 1.078 59.397 58.200 0.199 0.000 0.993 269 S CB -0.014 63.256 63.200 0.116 0.000 0.859 269 S HN 0.793 nan 8.310 nan 0.000 0.453 270 K N 0.028 120.496 120.400 0.113 0.000 2.558 270 K HA 0.574 4.894 4.320 -0.000 0.000 0.215 270 K C 0.195 176.840 176.600 0.074 0.000 1.298 270 K CA 0.143 56.481 56.287 0.084 0.000 1.008 270 K CB 0.561 33.104 32.500 0.072 0.000 1.073 270 K HN 0.315 nan 8.250 nan 0.000 0.606 271 A N 2.164 125.054 122.820 0.117 0.000 2.366 271 A HA 0.498 4.818 4.320 -0.000 0.000 0.272 271 A C -0.234 177.373 177.584 0.039 0.000 1.135 271 A CA -0.561 51.561 52.037 0.142 0.000 0.804 271 A CB -0.028 19.210 19.000 0.397 0.000 1.064 271 A HN 0.336 nan 8.150 nan 0.000 0.499 272 I N 3.063 123.591 120.570 -0.069 0.000 2.315 272 I HA 0.256 4.426 4.170 -0.000 0.000 0.291 272 I C -0.517 175.474 176.117 -0.210 0.000 1.006 272 I CA -0.412 60.782 61.300 -0.177 0.000 1.265 272 I CB 1.491 39.348 38.000 -0.238 0.000 1.387 272 I HN 0.274 nan 8.210 nan 0.000 0.475 273 V N 8.018 127.811 119.914 -0.203 0.000 2.435 273 V HA 0.410 4.530 4.120 -0.000 0.000 0.290 273 V C 0.046 176.009 176.094 -0.218 0.000 1.030 273 V CA -0.463 61.731 62.300 -0.176 0.000 0.881 273 V CB 1.907 33.703 31.823 -0.045 0.000 0.983 273 V HN 0.481 nan 8.190 nan 0.000 0.445 274 I N 6.442 126.917 120.570 -0.158 0.000 2.354 274 I HA 0.397 4.567 4.170 -0.000 0.000 0.286 274 I C -0.631 175.503 176.117 0.030 0.000 1.007 274 I CA -0.530 60.709 61.300 -0.103 0.000 1.167 274 I CB 1.446 39.407 38.000 -0.065 0.000 1.320 274 I HN 0.534 nan 8.210 nan 0.000 0.458 275 L N 7.018 128.257 121.223 0.027 0.000 2.322 275 L HA 0.810 5.150 4.340 -0.000 0.000 0.281 275 L C -0.927 176.003 176.870 0.101 0.000 1.014 275 L CA -0.482 54.376 54.840 0.029 0.000 0.815 275 L CB 1.670 43.640 42.059 -0.148 0.000 1.247 275 L HN 0.189 nan 8.230 nan 0.000 0.421 276 V N 4.578 124.578 119.914 0.144 0.000 2.495 276 V HA 0.435 4.554 4.120 -0.000 0.000 0.298 276 V C 0.200 176.433 176.094 0.233 0.000 1.031 276 V CA -0.553 61.870 62.300 0.205 0.000 0.871 276 V CB 1.678 33.645 31.823 0.239 0.000 0.988 276 V HN 0.639 nan 8.190 nan 0.000 0.432 277 I N 4.098 124.805 120.570 0.228 0.000 2.347 277 I HA 0.111 4.281 4.170 -0.000 0.000 0.294 277 I C 1.409 177.651 176.117 0.209 0.000 1.090 277 I CA 0.643 62.088 61.300 0.243 0.000 1.314 277 I CB -0.262 37.862 38.000 0.206 0.000 1.423 277 I HN 0.839 nan 8.210 nan 0.000 0.503 278 N N 5.483 124.309 118.700 0.210 0.000 2.051 278 N HA -0.072 4.668 4.740 -0.000 0.000 0.192 278 N C 0.436 176.018 175.510 0.119 0.000 1.049 278 N CA 0.848 53.991 53.050 0.154 0.000 0.845 278 N CB 0.496 39.069 38.487 0.143 0.000 1.031 278 N HN 0.732 nan 8.380 nan 0.000 0.425 279 E N -0.639 119.632 120.200 0.118 0.000 2.343 279 E HA 0.473 4.823 4.350 -0.000 0.000 0.278 279 E C -0.503 176.159 176.600 0.103 0.000 0.910 279 E CA -0.392 56.063 56.400 0.091 0.000 0.757 279 E CB 2.312 32.050 29.700 0.063 0.000 1.218 279 E HN 0.417 nan 8.360 nan 0.000 0.435 280 G N 2.515 111.369 108.800 0.091 0.000 2.384 280 G HA2 0.063 4.023 3.960 -0.000 0.000 0.204 280 G HA3 0.063 4.023 3.960 -0.000 0.000 0.204 280 G C -1.661 173.300 174.900 0.102 0.000 1.237 280 G CA -0.180 44.976 45.100 0.093 0.000 1.060 280 G HN 0.726 nan 8.290 nan 0.000 0.514 281 D N -0.474 119.989 120.400 0.104 0.000 2.736 281 D HA 0.837 5.477 4.640 -0.000 0.000 0.223 281 D C -0.031 176.330 176.300 0.101 0.000 1.231 281 D CA 0.611 54.670 54.000 0.099 0.000 0.818 281 D CB 1.851 42.698 40.800 0.078 0.000 1.587 281 D HN 1.603 nan 8.370 nan 0.000 0.463 282 A N 1.176 124.050 122.820 0.089 0.000 2.597 282 A HA 0.664 4.984 4.320 -0.000 0.000 0.292 282 A C -1.789 175.813 177.584 0.030 0.000 1.057 282 A CA -0.950 51.132 52.037 0.075 0.000 0.674 282 A CB 1.207 20.274 19.000 0.112 0.000 1.278 282 A HN 0.399 nan 8.150 nan 0.000 0.416 283 N N 0.145 118.853 118.700 0.015 0.000 2.405 283 N HA 0.692 5.432 4.740 -0.000 0.000 0.299 283 N C -1.123 174.355 175.510 -0.053 0.000 1.075 283 N CA -0.224 52.812 53.050 -0.023 0.000 0.884 283 N CB 2.034 40.519 38.487 -0.004 0.000 1.194 283 N HN 0.740 nan 8.380 nan 0.000 0.491 284 I N -0.157 120.337 120.570 -0.126 0.000 2.545 284 I HA 0.313 4.483 4.170 -0.000 0.000 0.292 284 I C -0.879 175.204 176.117 -0.056 0.000 1.040 284 I CA -0.552 60.644 61.300 -0.174 0.000 1.068 284 I CB 1.518 39.164 38.000 -0.590 0.000 1.251 284 I HN 0.289 nan 8.210 nan 0.000 0.424 285 E N 7.733 127.968 120.200 0.058 0.000 2.191 285 E HA 0.430 4.780 4.350 -0.000 0.000 0.263 285 E C -1.468 175.282 176.600 0.251 0.000 0.881 285 E CA -0.686 55.797 56.400 0.139 0.000 0.757 285 E CB 2.779 32.536 29.700 0.094 0.000 1.147 285 E HN 0.462 nan 8.360 nan 0.000 0.414 286 L N 3.209 124.624 121.223 0.320 0.000 2.354 286 L HA 0.624 4.964 4.340 -0.000 0.000 0.269 286 L C -1.041 175.994 176.870 0.276 0.000 1.005 286 L CA -0.974 54.089 54.840 0.372 0.000 0.819 286 L CB 2.093 44.435 42.059 0.470 0.000 1.311 286 L HN 0.424 nan 8.230 nan 0.000 0.423 287 V N 1.302 121.336 119.914 0.200 0.000 2.623 287 V HA 0.961 5.081 4.120 -0.000 0.000 0.304 287 V C -0.647 175.389 176.094 -0.098 0.000 1.054 287 V CA 0.040 62.358 62.300 0.030 0.000 0.882 287 V CB 1.562 33.374 31.823 -0.017 0.000 1.002 287 V HN 0.854 nan 8.190 nan 0.000 0.424 288 G N 5.241 113.957 108.800 -0.140 0.000 2.605 288 G HA2 0.678 4.638 3.960 -0.000 0.000 0.296 288 G HA3 0.678 4.638 3.960 -0.000 0.000 0.296 288 G C -0.739 174.047 174.900 -0.191 0.000 1.304 288 G CA -1.102 43.811 45.100 -0.311 0.000 0.941 288 G HN 0.848 nan 8.290 nan 0.000 0.475 289 I N 0.075 120.528 120.570 -0.195 0.000 2.882 289 I HA 0.285 4.455 4.170 -0.000 0.000 0.286 289 I C 0.652 176.742 176.117 -0.045 0.000 1.139 289 I CA -0.150 61.083 61.300 -0.111 0.000 1.379 289 I CB 0.886 38.826 38.000 -0.100 0.000 1.410 289 I HN 0.419 nan 8.210 nan 0.000 0.594 304 E N 2.295 122.475 120.200 -0.034 0.000 2.242 304 E HA 0.474 4.824 4.350 -0.000 0.000 0.275 304 E C -0.808 175.758 176.600 -0.056 0.000 1.002 304 E CA -0.740 55.636 56.400 -0.041 0.000 0.841 304 E CB 3.092 32.771 29.700 -0.034 0.000 1.109 304 E HN 0.209 nan 8.360 nan 0.000 0.394 305 V N 2.625 122.499 119.914 -0.066 0.000 2.509 305 V HA 0.094 4.214 4.120 -0.000 0.000 0.284 305 V C 0.000 176.026 176.094 -0.114 0.000 1.047 305 V CA -0.234 62.010 62.300 -0.092 0.000 0.952 305 V CB 1.416 33.186 31.823 -0.088 0.000 0.988 305 V HN 0.639 nan 8.190 nan 0.000 0.469 306 Q N 3.558 123.258 119.800 -0.167 0.000 2.235 306 Q HA 0.543 4.883 4.340 -0.000 0.000 0.256 306 Q C -0.359 175.402 176.000 -0.399 0.000 0.951 306 Q CA -0.649 54.994 55.803 -0.267 0.000 0.890 306 Q CB 1.386 29.940 28.738 -0.306 0.000 1.279 306 Q HN 0.718 nan 8.270 nan 0.000 0.444 307 R N 2.733 123.010 120.500 -0.372 0.000 2.445 307 R HA 0.369 4.709 4.340 -0.000 0.000 0.308 307 R C -1.651 174.465 176.300 -0.306 0.000 0.961 307 R CA -0.394 55.540 56.100 -0.276 0.000 0.862 307 R CB 0.750 30.995 30.300 -0.092 0.000 1.144 307 R HN 0.572 nan 8.270 nan 0.000 0.447 308 Y N 3.177 123.583 120.300 0.177 0.000 2.328 308 Y HA 0.460 5.010 4.550 -0.000 0.000 0.337 308 Y C 0.133 176.182 175.900 0.249 0.000 0.966 308 Y CA -0.787 57.462 58.100 0.248 0.000 1.136 308 Y CB 1.544 40.232 38.460 0.381 0.000 1.170 308 Y HN 0.467 nan 8.280 nan 0.000 0.470 309 R N 2.118 122.816 120.500 0.330 0.000 2.686 309 R HA 0.953 5.293 4.340 -0.000 0.000 0.283 309 R C -1.736 174.649 176.300 0.141 0.000 0.978 309 R CA -0.741 55.481 56.100 0.203 0.000 0.897 309 R CB 1.620 31.982 30.300 0.103 0.000 1.192 309 R HN 0.810 nan 8.270 nan 0.000 0.457 310 A N 2.711 125.549 122.820 0.031 0.000 2.594 310 A HA 0.372 4.692 4.320 -0.000 0.000 0.295 310 A C -1.572 175.888 177.584 -0.207 0.000 1.071 310 A CA -0.737 51.194 52.037 -0.177 0.000 0.685 310 A CB 1.984 20.858 19.000 -0.210 0.000 1.285 310 A HN 0.788 nan 8.150 nan 0.000 0.405 311 E N 1.608 121.655 120.200 -0.256 0.000 2.103 311 E HA 0.402 4.752 4.350 -0.000 0.000 0.254 311 E C -0.835 175.758 176.600 -0.012 0.000 0.940 311 E CA -0.231 56.109 56.400 -0.099 0.000 0.771 311 E CB 0.569 30.241 29.700 -0.046 0.000 1.153 311 E HN 0.550 nan 8.360 nan 0.000 0.428 312 L N 2.152 123.407 121.223 0.053 0.000 2.416 312 L HA 0.225 4.565 4.340 -0.000 0.000 0.272 312 L C 0.424 177.398 176.870 0.174 0.000 1.161 312 L CA 0.053 55.020 54.840 0.212 0.000 0.845 312 L CB 0.603 42.755 42.059 0.155 0.000 1.119 312 L HN 0.427 nan 8.230 nan 0.000 0.464 313 S N 0.651 116.480 115.700 0.214 0.000 2.823 313 S HA 0.267 4.737 4.470 -0.000 0.000 0.316 313 S C -0.604 174.090 174.600 0.158 0.000 1.116 313 S CA -0.914 57.383 58.200 0.161 0.000 0.911 313 S CB 1.398 64.688 63.200 0.150 0.000 1.276 313 S HN 0.649 nan 8.310 nan 0.000 0.565 314 E N 0.791 121.064 120.200 0.122 0.000 2.415 314 E HA 0.005 4.355 4.350 -0.000 0.000 0.263 314 E C -0.798 175.867 176.600 0.109 0.000 0.995 314 E CA 0.291 56.756 56.400 0.108 0.000 0.915 314 E CB -0.123 29.619 29.700 0.071 0.000 0.951 314 E HN 0.507 nan 8.360 nan 0.000 0.449 315 D N 2.684 123.160 120.400 0.127 0.000 3.017 315 D HA -0.150 4.490 4.640 -0.000 0.000 0.220 315 D C -1.169 175.282 176.300 0.252 0.000 1.141 315 D CA 1.100 55.183 54.000 0.139 0.000 0.848 315 D CB -0.809 39.983 40.800 -0.013 0.000 1.102 315 D HN 0.499 nan 8.370 nan 0.000 0.427 316 D N -0.576 119.970 120.400 0.243 0.000 2.181 316 D HA 0.520 5.160 4.640 -0.000 0.000 0.248 316 D C 0.179 176.630 176.300 0.251 0.000 1.020 316 D CA -0.396 53.751 54.000 0.245 0.000 0.891 316 D CB 1.940 42.901 40.800 0.269 0.000 1.187 316 D HN -0.180 nan 8.370 nan 0.000 0.443 317 V N 2.331 122.363 119.914 0.196 0.000 2.513 317 V HA 0.523 4.643 4.120 -0.000 0.000 0.299 317 V C -1.000 175.238 176.094 0.240 0.000 1.035 317 V CA -0.708 61.716 62.300 0.207 0.000 0.889 317 V CB 1.456 33.382 31.823 0.170 0.000 0.988 317 V HN 0.414 nan 8.190 nan 0.000 0.440 318 F N 4.385 124.376 119.950 0.070 0.000 2.557 318 F HA 0.674 5.201 4.527 -0.000 0.000 0.316 318 F C -0.634 175.130 175.800 -0.059 0.000 1.141 318 F CA -0.675 57.362 58.000 0.061 0.000 0.922 318 F CB 1.990 41.037 39.000 0.078 0.000 1.194 318 F HN 0.335 nan 8.300 nan 0.000 0.443 319 V N 7.735 127.492 119.914 -0.263 0.000 2.417 319 V HA 0.638 4.758 4.120 -0.000 0.000 0.291 319 V C -0.970 174.879 176.094 -0.408 0.000 1.024 319 V CA -0.417 61.701 62.300 -0.303 0.000 0.861 319 V CB 1.384 32.953 31.823 -0.423 0.000 0.985 319 V HN 0.630 nan 8.190 nan 0.000 0.436 320 I N 9.395 129.725 120.570 -0.399 0.000 2.359 320 I HA 0.464 4.634 4.170 -0.000 0.000 0.284 320 I C -1.999 173.796 176.117 -0.536 0.000 1.018 320 I CA -1.920 59.059 61.300 -0.534 0.000 1.173 320 I CB 1.391 38.960 38.000 -0.718 0.000 1.326 320 I HN 0.514 nan 8.210 nan 0.000 0.462 321 P HA -0.008 nan 4.420 nan 0.000 0.275 321 P C -0.310 176.685 177.300 -0.509 0.000 1.262 321 P CA -0.289 62.390 63.100 -0.701 0.000 0.834 321 P CB 0.436 31.431 31.700 -1.174 0.000 1.098 322 A N -0.039 122.557 122.820 -0.373 0.000 2.322 322 A HA 0.475 4.795 4.320 -0.000 0.000 0.269 322 A C 0.951 178.552 177.584 0.029 0.000 1.094 322 A CA 0.231 52.198 52.037 -0.117 0.000 0.807 322 A CB -1.054 17.916 19.000 -0.050 0.000 1.047 322 A HN 0.723 nan 8.150 nan 0.000 0.487 323 A N -0.141 122.780 122.820 0.169 0.000 2.765 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.286 323 A C -0.201 177.501 177.584 0.195 0.000 1.457 323 A CA 1.570 53.738 52.037 0.219 0.000 0.899 323 A CB -2.441 16.623 19.000 0.107 0.000 0.983 323 A HN 1.021 nan 8.150 nan 0.000 0.584 324 Y N -0.670 119.611 120.300 -0.032 0.000 2.328 324 Y HA 0.506 5.056 4.550 -0.000 0.000 0.337 324 Y C -2.116 173.827 175.900 0.072 0.000 1.008 324 Y CA -2.968 55.103 58.100 -0.050 0.000 1.129 324 Y CB 0.912 39.322 38.460 -0.084 0.000 1.185 324 Y HN 0.130 nan 8.280 nan 0.000 0.476 325 P HA 0.252 nan 4.420 nan 0.000 0.275 325 P C -0.977 176.510 177.300 0.311 0.000 1.227 325 P CA 0.031 63.274 63.100 0.239 0.000 0.781 325 P CB 0.469 32.250 31.700 0.135 0.000 0.906 326 F N 0.909 120.875 119.950 0.026 0.000 2.686 326 F HA 0.789 5.316 4.527 -0.000 0.000 0.311 326 F C -2.057 173.817 175.800 0.123 0.000 1.128 326 F CA -1.351 56.684 58.000 0.058 0.000 0.946 326 F CB 1.237 40.264 39.000 0.046 0.000 1.336 326 F HN 0.243 nan 8.300 nan 0.000 0.457 327 V N 2.589 122.461 119.914 -0.070 0.000 2.888 327 V HA 0.747 4.867 4.120 -0.000 0.000 0.309 327 V C -1.737 174.352 176.094 -0.009 0.000 1.114 327 V CA -0.687 61.538 62.300 -0.125 0.000 0.940 327 V CB 2.316 34.130 31.823 -0.016 0.000 1.021 327 V HN 0.864 nan 8.190 nan 0.000 0.426 328 V N 6.478 126.399 119.914 0.012 0.000 2.409 328 V HA 0.551 4.671 4.120 -0.000 0.000 0.291 328 V C -0.156 176.003 176.094 0.108 0.000 1.020 328 V CA -0.687 61.670 62.300 0.095 0.000 0.848 328 V CB 1.637 33.582 31.823 0.204 0.000 0.990 328 V HN 0.885 nan 8.190 nan 0.000 0.430 329 N N 3.942 122.690 118.700 0.080 0.000 2.417 329 N HA 0.555 5.295 4.740 -0.000 0.000 0.274 329 N C -0.585 174.980 175.510 0.092 0.000 0.987 329 N CA -0.320 52.776 53.050 0.077 0.000 0.912 329 N CB 2.279 40.791 38.487 0.042 0.000 1.177 329 N HN 0.754 nan 8.380 nan 0.000 0.490 330 A N 2.701 125.590 122.820 0.114 0.000 2.276 330 A HA 0.352 4.672 4.320 -0.000 0.000 0.300 330 A C 0.709 178.343 177.584 0.084 0.000 1.235 330 A CA -0.547 51.559 52.037 0.116 0.000 0.867 330 A CB -0.052 19.034 19.000 0.142 0.000 1.137 330 A HN 0.710 nan 8.150 nan 0.000 0.527 331 T N -0.546 114.053 114.554 0.074 0.000 3.218 331 T HA 0.530 4.880 4.350 -0.000 0.000 0.241 331 T C -0.016 174.720 174.700 0.060 0.000 0.929 331 T CA 0.148 62.283 62.100 0.058 0.000 0.979 331 T CB -0.895 68.002 68.868 0.048 0.000 1.129 331 T HN 1.828 nan 8.240 nan 0.000 0.559 332 S N 0.811 116.551 115.700 0.067 0.000 2.798 332 S HA 0.045 4.514 4.470 -0.000 0.000 0.277 332 S C -1.674 172.967 174.600 0.070 0.000 0.840 332 S CA -0.925 57.312 58.200 0.062 0.000 0.967 332 S CB -0.254 62.981 63.200 0.059 0.000 1.219 332 S HN 0.411 nan 8.310 nan 0.000 0.481 333 N N 1.548 120.283 118.700 0.058 0.000 2.374 333 N HA 0.168 4.908 4.740 -0.000 0.000 0.269 333 N C -0.363 175.187 175.510 0.067 0.000 1.310 333 N CA 0.668 53.751 53.050 0.054 0.000 0.877 333 N CB 0.150 38.659 38.487 0.037 0.000 1.096 333 N HN 0.617 nan 8.380 nan 0.000 0.484 334 L N 3.167 124.438 121.223 0.080 0.000 2.323 334 L HA 0.582 4.922 4.340 -0.000 0.000 0.265 334 L C -0.744 176.173 176.870 0.077 0.000 1.012 334 L CA -0.707 54.200 54.840 0.112 0.000 0.820 334 L CB 2.052 44.219 42.059 0.180 0.000 1.334 334 L HN 0.564 nan 8.230 nan 0.000 0.427 335 N N 2.334 121.091 118.700 0.095 0.000 2.455 335 N HA 0.586 5.326 4.740 -0.000 0.000 0.285 335 N C -1.719 173.847 175.510 0.093 0.000 1.080 335 N CA -0.573 52.474 53.050 -0.004 0.000 0.932 335 N CB 1.128 39.616 38.487 0.001 0.000 1.610 335 N HN 0.564 nan 8.380 nan 0.000 0.493 336 F N 1.440 121.424 119.950 0.057 0.000 2.620 336 F HA 0.780 5.307 4.527 -0.000 0.000 0.320 336 F C -1.623 174.155 175.800 -0.036 0.000 1.069 336 F CA -1.328 56.697 58.000 0.041 0.000 0.953 336 F CB 1.092 40.137 39.000 0.076 0.000 1.322 336 F HN 0.328 nan 8.300 nan 0.000 0.479 337 L N 2.429 123.773 121.223 0.202 0.000 2.334 337 L HA 0.935 5.275 4.340 -0.000 0.000 0.276 337 L C -1.038 175.795 176.870 -0.061 0.000 1.014 337 L CA -0.659 54.104 54.840 -0.127 0.000 0.815 337 L CB 1.632 43.468 42.059 -0.372 0.000 1.268 337 L HN 1.021 nan 8.230 nan 0.000 0.428 338 A N 4.288 126.988 122.820 -0.200 0.000 2.381 338 A HA 0.689 5.009 4.320 -0.000 0.000 0.299 338 A C -1.440 175.951 177.584 -0.323 0.000 1.049 338 A CA -0.351 51.618 52.037 -0.114 0.000 0.715 338 A CB 0.468 19.605 19.000 0.228 0.000 1.222 338 A HN 0.585 nan 8.150 nan 0.000 0.428 339 F N 1.557 121.405 119.950 -0.169 0.000 2.410 339 F HA 0.540 5.067 4.527 -0.000 0.000 0.349 339 F C 1.174 176.596 175.800 -0.630 0.000 1.117 339 F CA -0.118 57.685 58.000 -0.327 0.000 1.104 339 F CB 2.199 41.086 39.000 -0.190 0.000 1.122 339 F HN 0.650 nan 8.300 nan 0.000 0.483 340 G N 5.520 113.714 108.800 -1.010 0.000 2.468 340 G HA2 0.525 4.485 3.960 -0.000 0.000 0.320 340 G HA3 0.525 4.485 3.960 -0.000 0.000 0.320 340 G C -0.527 174.055 174.900 -0.531 0.000 1.137 340 G CA -0.516 43.804 45.100 -1.299 0.000 0.984 340 G HN 0.382 nan 8.290 nan 0.000 0.462 341 I N 1.836 122.198 120.570 -0.346 0.000 2.519 341 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 341 I C 0.685 176.735 176.117 -0.112 0.000 1.047 341 I CA -0.527 60.615 61.300 -0.262 0.000 1.381 341 I CB 0.696 38.434 38.000 -0.437 0.000 1.417 341 I HN 0.546 nan 8.210 nan 0.000 0.540 342 N N 3.339 122.018 118.700 -0.035 0.000 2.740 342 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 342 N C 0.741 176.295 175.510 0.073 0.000 1.062 342 N CA 0.885 53.948 53.050 0.023 0.000 0.704 342 N CB -0.413 38.078 38.487 0.007 0.000 0.968 342 N HN 0.819 nan 8.380 nan 0.000 0.547 343 A N -0.665 122.225 122.820 0.117 0.000 2.251 343 A HA 0.034 4.354 4.320 -0.000 0.000 0.209 343 A C 1.730 179.422 177.584 0.180 0.000 1.187 343 A CA 0.918 53.097 52.037 0.237 0.000 0.823 343 A CB 0.144 19.438 19.000 0.490 0.000 0.846 343 A HN 0.372 nan 8.150 nan 0.000 0.486 344 E N 2.043 122.313 120.200 0.117 0.000 2.059 344 E HA -0.248 4.101 4.350 -0.000 0.000 0.237 344 E C 0.312 176.957 176.600 0.076 0.000 1.023 344 E CA 2.124 58.576 56.400 0.087 0.000 0.918 344 E CB -0.484 29.254 29.700 0.062 0.000 0.824 344 E HN 0.648 nan 8.360 nan 0.000 0.534 345 N N 0.861 119.598 118.700 0.062 0.000 3.271 345 N HA 0.115 4.855 4.740 -0.000 0.000 0.303 345 N C -0.746 174.794 175.510 0.049 0.000 1.415 345 N CA -0.229 52.849 53.050 0.047 0.000 1.159 345 N CB 0.018 38.528 38.487 0.038 0.000 1.432 345 N HN 0.199 nan 8.380 nan 0.000 0.521 346 N N 0.998 119.731 118.700 0.055 0.000 2.467 346 N HA 0.145 4.885 4.740 -0.000 0.000 0.262 346 N C -0.937 174.572 175.510 -0.003 0.000 1.234 346 N CA 0.230 53.308 53.050 0.047 0.000 0.952 346 N CB 0.656 39.189 38.487 0.078 0.000 1.158 346 N HN 0.249 nan 8.380 nan 0.000 0.463 347 Q N 2.099 121.891 119.800 -0.014 0.000 2.268 347 Q HA 0.204 4.544 4.340 -0.000 0.000 0.266 347 Q C -1.257 174.673 176.000 -0.118 0.000 1.006 347 Q CA -0.555 55.215 55.803 -0.054 0.000 0.824 347 Q CB 2.399 31.114 28.738 -0.038 0.000 1.306 347 Q HN 0.557 nan 8.270 nan 0.000 0.424 348 R N 1.824 122.242 120.500 -0.137 0.000 2.229 348 R HA 0.362 4.702 4.340 -0.000 0.000 0.328 348 R C -0.815 175.274 176.300 -0.351 0.000 1.009 348 R CA 0.127 56.091 56.100 -0.228 0.000 0.864 348 R CB 0.605 30.827 30.300 -0.130 0.000 1.085 348 R HN 0.536 nan 8.270 nan 0.000 0.453 349 N N 3.422 121.722 118.700 -0.667 0.000 2.372 349 N HA 0.297 5.037 4.740 -0.000 0.000 0.285 349 N C -1.521 173.613 175.510 -0.626 0.000 1.008 349 N CA -0.475 52.168 53.050 -0.678 0.000 0.880 349 N CB 1.282 39.072 38.487 -1.161 0.000 1.239 349 N HN 0.257 nan 8.380 nan 0.000 0.484 350 F N 1.744 121.587 119.950 -0.178 0.000 2.420 350 F HA 0.343 4.870 4.527 -0.000 0.000 0.342 350 F C 0.945 176.706 175.800 -0.064 0.000 1.113 350 F CA -0.721 57.210 58.000 -0.114 0.000 1.059 350 F CB 1.261 40.135 39.000 -0.211 0.000 1.128 350 F HN 0.374 nan 8.300 nan 0.000 0.475 351 L N 2.748 124.070 121.223 0.166 0.000 2.607 351 L HA 0.470 4.810 4.340 -0.000 0.000 0.228 351 L C 0.457 177.368 176.870 0.067 0.000 1.123 351 L CA -0.006 54.912 54.840 0.130 0.000 0.890 351 L CB -0.193 41.963 42.059 0.161 0.000 1.103 351 L HN 0.575 nan 8.230 nan 0.000 0.468 352 A N -0.014 122.838 122.820 0.052 0.000 2.455 352 A HA 0.804 5.124 4.320 -0.000 0.000 0.300 352 A C 0.007 177.512 177.584 -0.132 0.000 1.040 352 A CA -0.004 52.011 52.037 -0.036 0.000 0.697 352 A CB 1.256 20.237 19.000 -0.032 0.000 1.265 352 A HN 0.203 nan 8.150 nan 0.000 0.407 353 G N 0.466 109.165 108.800 -0.169 0.000 2.462 353 G HA2 0.026 3.986 3.960 -0.000 0.000 0.685 353 G HA3 0.026 3.986 3.960 -0.000 0.000 0.685 353 G C 0.313 175.064 174.900 -0.249 0.000 1.295 353 G CA 0.226 45.170 45.100 -0.260 0.000 0.941 353 G HN 0.811 nan 8.290 nan 0.000 0.554 354 E N -0.242 119.781 120.200 -0.294 0.000 2.060 354 E HA 0.032 4.382 4.350 -0.000 0.000 0.189 354 E C 0.690 177.132 176.600 -0.263 0.000 0.974 354 E CA 0.669 56.926 56.400 -0.238 0.000 0.808 354 E CB -0.037 29.540 29.700 -0.206 0.000 0.768 354 E HN 0.376 nan 8.360 nan 0.000 0.453 355 K N 1.702 121.846 120.400 -0.427 0.000 2.156 355 K HA 0.076 4.396 4.320 -0.000 0.000 0.271 355 K C -0.869 175.522 176.600 -0.348 0.000 0.995 355 K CA -0.297 55.759 56.287 -0.385 0.000 0.890 355 K CB 1.236 33.464 32.500 -0.453 0.000 1.073 355 K HN 0.019 nan 8.250 nan 0.000 0.454 356 D N 1.437 121.768 120.400 -0.116 0.000 2.716 356 D HA -0.194 4.446 4.640 -0.000 0.000 0.239 356 D C -0.595 175.722 176.300 0.030 0.000 1.125 356 D CA 0.882 54.888 54.000 0.011 0.000 0.681 356 D CB -1.327 39.568 40.800 0.158 0.000 1.070 356 D HN 0.640 nan 8.370 nan 0.000 0.432 357 N N -0.264 118.423 118.700 -0.022 0.000 2.527 357 N HA 0.310 5.050 4.740 -0.000 0.000 0.236 357 N C 1.563 177.087 175.510 0.024 0.000 0.999 357 N CA -0.608 52.443 53.050 0.001 0.000 0.935 357 N CB 1.015 39.473 38.487 -0.048 0.000 1.132 357 N HN -0.089 nan 8.380 nan 0.000 0.511 358 V N 2.202 122.145 119.914 0.047 0.000 2.233 358 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 358 V C 2.272 178.420 176.094 0.090 0.000 1.050 358 V CA 1.981 64.323 62.300 0.070 0.000 1.010 358 V CB -1.151 30.740 31.823 0.114 0.000 0.637 358 V HN 0.620 nan 8.190 nan 0.000 0.444 359 V N 0.304 120.288 119.914 0.117 0.000 2.794 359 V HA -0.205 3.915 4.120 -0.000 0.000 0.260 359 V C 2.461 178.615 176.094 0.100 0.000 1.103 359 V CA 1.996 64.385 62.300 0.148 0.000 1.125 359 V CB -0.855 31.078 31.823 0.182 0.000 0.702 359 V HN 0.512 nan 8.190 nan 0.000 0.494 360 R N -0.789 119.742 120.500 0.052 0.000 2.276 360 R HA 0.097 4.437 4.340 -0.000 0.000 0.196 360 R C 2.009 178.325 176.300 0.027 0.000 0.961 360 R CA 0.610 56.723 56.100 0.022 0.000 1.024 360 R CB -0.014 30.280 30.300 -0.010 0.000 0.940 360 R HN 0.586 nan 8.270 nan 0.000 0.480 361 Q N 0.200 120.025 119.800 0.040 0.000 2.373 361 Q HA 0.177 4.517 4.340 -0.000 0.000 0.210 361 Q C 1.065 177.091 176.000 0.043 0.000 0.913 361 Q CA 0.211 56.035 55.803 0.035 0.000 0.911 361 Q CB 0.368 29.126 28.738 0.034 0.000 1.040 361 Q HN 0.283 nan 8.270 nan 0.000 0.521 362 I N 2.112 122.720 120.570 0.062 0.000 2.948 362 I HA -0.093 4.077 4.170 -0.000 0.000 0.290 362 I C 0.504 176.653 176.117 0.054 0.000 1.226 362 I CA 0.241 61.578 61.300 0.062 0.000 1.413 362 I CB 0.070 38.122 38.000 0.087 0.000 1.352 362 I HN -0.037 nan 8.210 nan 0.000 0.597 363 E N 3.921 124.146 120.200 0.041 0.000 2.344 363 E HA 0.021 4.370 4.350 -0.000 0.000 0.270 363 E C 1.062 177.688 176.600 0.042 0.000 1.021 363 E CA -0.240 56.181 56.400 0.034 0.000 0.887 363 E CB 1.046 30.760 29.700 0.023 0.000 0.997 363 E HN 0.447 nan 8.360 nan 0.000 0.429 364 R N 3.124 123.646 120.500 0.037 0.000 2.096 364 R HA -0.277 4.063 4.340 -0.000 0.000 0.240 364 R C 1.403 177.725 176.300 0.038 0.000 1.139 364 R CA 1.911 58.034 56.100 0.038 0.000 0.952 364 R CB 0.030 30.344 30.300 0.024 0.000 0.854 364 R HN 0.628 nan 8.270 nan 0.000 0.436 365 Q N -0.435 119.381 119.800 0.026 0.000 2.508 365 Q HA -0.062 4.278 4.340 -0.000 0.000 0.214 365 Q C 1.503 177.516 176.000 0.021 0.000 0.979 365 Q CA 0.894 56.710 55.803 0.021 0.000 0.911 365 Q CB 0.475 29.221 28.738 0.014 0.000 0.969 365 Q HN 0.286 nan 8.270 nan 0.000 0.504 366 V N -0.769 119.162 119.914 0.028 0.000 3.359 366 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 366 V C 1.701 177.815 176.094 0.032 0.000 1.247 366 V CA 0.407 62.717 62.300 0.017 0.000 1.145 366 V CB 0.231 32.058 31.823 0.007 0.000 0.906 366 V HN 0.226 nan 8.190 nan 0.000 0.464 367 Q N 0.563 120.416 119.800 0.087 0.000 2.181 367 Q HA -0.285 4.054 4.340 -0.000 0.000 0.205 367 Q C 2.058 178.192 176.000 0.222 0.000 0.980 367 Q CA 1.994 57.922 55.803 0.208 0.000 0.862 367 Q CB -0.089 28.799 28.738 0.250 0.000 0.905 367 Q HN 0.710 nan 8.270 nan 0.000 0.429 368 E N 0.858 121.132 120.200 0.123 0.000 2.153 368 E HA -0.144 4.206 4.350 -0.000 0.000 0.194 368 E C 1.751 178.387 176.600 0.060 0.000 0.988 368 E CA 0.560 57.017 56.400 0.094 0.000 0.811 368 E CB 0.089 29.822 29.700 0.054 0.000 0.746 368 E HN 0.319 nan 8.360 nan 0.000 0.466 369 L N -0.508 120.728 121.223 0.023 0.000 2.270 369 L HA 0.074 4.414 4.340 -0.000 0.000 0.210 369 L C 2.081 178.913 176.870 -0.062 0.000 1.104 369 L CA 0.737 55.568 54.840 -0.014 0.000 0.804 369 L CB 0.070 42.115 42.059 -0.023 0.000 0.937 369 L HN 0.177 nan 8.230 nan 0.000 0.450 370 A N -1.250 121.493 122.820 -0.130 0.000 2.252 370 A HA 0.240 4.560 4.320 -0.000 0.000 0.213 370 A C 0.376 177.693 177.584 -0.445 0.000 1.188 370 A CA -0.046 51.798 52.037 -0.320 0.000 0.863 370 A CB 0.118 18.829 19.000 -0.481 0.000 0.893 370 A HN 0.186 nan 8.150 nan 0.000 0.495 371 F N -1.149 118.796 119.950 -0.007 0.000 2.522 371 F HA 0.444 4.971 4.527 -0.000 0.000 0.324 371 F C -1.548 174.247 175.800 -0.008 0.000 1.077 371 F CA -2.134 55.861 58.000 -0.008 0.000 0.944 371 F CB 1.588 40.584 39.000 -0.007 0.000 1.175 371 F HN -0.119 nan 8.300 nan 0.000 0.468 372 P HA -0.071 nan 4.420 nan 0.000 0.218 372 P C 0.800 178.154 177.300 0.090 0.000 1.148 372 P CA 0.854 64.016 63.100 0.102 0.000 0.822 372 P CB -0.057 31.689 31.700 0.077 0.000 0.784 373 G N -0.283 108.580 108.800 0.106 0.000 2.647 373 G HA2 0.282 4.242 3.960 -0.000 0.000 0.271 373 G HA3 0.282 4.242 3.960 -0.000 0.000 0.271 373 G C -0.053 174.886 174.900 0.065 0.000 1.300 373 G CA 0.057 45.190 45.100 0.055 0.000 0.997 373 G HN 0.310 nan 8.290 nan 0.000 0.533 374 S N -1.524 114.197 115.700 0.035 0.000 2.651 374 S HA 0.569 5.039 4.470 -0.000 0.000 0.291 374 S C 1.571 176.192 174.600 0.035 0.000 1.141 374 S CA 0.349 58.570 58.200 0.034 0.000 1.027 374 S CB 1.618 64.829 63.200 0.017 0.000 1.043 374 S HN 1.402 nan 8.310 nan 0.000 0.530 375 A N 1.483 124.327 122.820 0.039 0.000 1.903 375 A HA -0.207 4.113 4.320 -0.000 0.000 0.219 375 A C 2.274 179.866 177.584 0.014 0.000 1.191 375 A CA 2.145 54.205 52.037 0.038 0.000 0.638 375 A CB -1.369 17.649 19.000 0.031 0.000 0.823 375 A HN 0.934 nan 8.150 nan 0.000 0.451 376 Q N -1.175 118.628 119.800 0.006 0.000 2.020 376 Q HA -0.227 4.113 4.340 -0.000 0.000 0.202 376 Q C 1.650 177.639 176.000 -0.018 0.000 0.982 376 Q CA 1.838 57.638 55.803 -0.006 0.000 0.838 376 Q CB -0.243 28.492 28.738 -0.004 0.000 0.899 376 Q HN 0.636 nan 8.270 nan 0.000 0.423 377 D N -0.680 119.709 120.400 -0.019 0.000 2.218 377 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 377 D C 1.717 177.980 176.300 -0.062 0.000 0.976 377 D CA 0.549 54.529 54.000 -0.034 0.000 0.853 377 D CB 0.213 40.998 40.800 -0.026 0.000 0.939 377 D HN 0.057 nan 8.370 nan 0.000 0.481 378 V N 0.080 119.953 119.914 -0.068 0.000 2.302 378 V HA -0.143 3.976 4.120 -0.000 0.000 0.243 378 V C 2.323 178.353 176.094 -0.107 0.000 1.036 378 V CA 1.421 63.643 62.300 -0.131 0.000 1.020 378 V CB -0.464 31.273 31.823 -0.143 0.000 0.657 378 V HN 0.187 nan 8.190 nan 0.000 0.453 379 E N 0.712 120.875 120.200 -0.062 0.000 2.035 379 E HA -0.334 4.016 4.350 -0.000 0.000 0.204 379 E C 2.483 179.048 176.600 -0.058 0.000 1.025 379 E CA 2.110 58.480 56.400 -0.050 0.000 0.835 379 E CB -0.258 29.424 29.700 -0.029 0.000 0.764 379 E HN 0.347 nan 8.360 nan 0.000 0.457 380 R N 0.282 120.751 120.500 -0.051 0.000 2.119 380 R HA -0.191 4.149 4.340 -0.000 0.000 0.246 380 R C 2.598 178.860 176.300 -0.063 0.000 1.146 380 R CA 1.597 57.667 56.100 -0.050 0.000 0.962 380 R CB -0.404 29.871 30.300 -0.042 0.000 0.863 380 R HN 0.379 nan 8.270 nan 0.000 0.442 381 L N 0.667 121.842 121.223 -0.080 0.000 2.072 381 L HA -0.125 4.214 4.340 -0.000 0.000 0.205 381 L C 2.023 178.832 176.870 -0.101 0.000 1.079 381 L CA 1.151 55.934 54.840 -0.094 0.000 0.752 381 L CB -0.147 41.840 42.059 -0.121 0.000 0.906 381 L HN 0.302 nan 8.230 nan 0.000 0.436 382 L N -0.179 120.979 121.223 -0.110 0.000 2.642 382 L HA -0.187 4.153 4.340 -0.000 0.000 0.236 382 L C 2.034 178.852 176.870 -0.088 0.000 1.169 382 L CA 0.517 55.294 54.840 -0.104 0.000 0.851 382 L CB -0.297 41.703 42.059 -0.098 0.000 0.968 382 L HN 0.151 nan 8.230 nan 0.000 0.453 383 K N -0.429 119.924 120.400 -0.078 0.000 2.308 383 K HA 0.021 4.341 4.320 -0.000 0.000 0.197 383 K C 1.950 178.508 176.600 -0.070 0.000 1.049 383 K CA 0.295 56.540 56.287 -0.070 0.000 0.991 383 K CB 0.271 32.737 32.500 -0.057 0.000 0.836 383 K HN -0.072 nan 8.250 nan 0.000 0.500 384 K N 0.548 120.905 120.400 -0.070 0.000 2.059 384 K HA -0.189 4.131 4.320 -0.000 0.000 0.212 384 K C 0.847 177.403 176.600 -0.073 0.000 1.050 384 K CA 1.142 57.389 56.287 -0.066 0.000 0.927 384 K CB -0.386 32.074 32.500 -0.066 0.000 0.714 384 K HN 0.130 nan 8.250 nan 0.000 0.447 385 Q N 0.826 120.573 119.800 -0.088 0.000 2.314 385 Q HA 0.024 4.364 4.340 -0.000 0.000 0.258 385 Q C 0.616 176.553 176.000 -0.106 0.000 0.954 385 Q CA 0.445 56.187 55.803 -0.103 0.000 0.890 385 Q CB 1.087 29.751 28.738 -0.123 0.000 1.210 385 Q HN -0.059 nan 8.270 nan 0.000 0.410 386 R N 2.222 122.662 120.500 -0.101 0.000 2.342 386 R HA 0.247 4.587 4.340 -0.000 0.000 0.204 386 R C -0.287 175.946 176.300 -0.112 0.000 0.882 386 R CA 0.295 56.340 56.100 -0.093 0.000 1.041 386 R CB 0.681 30.945 30.300 -0.060 0.000 1.188 386 R HN 0.715 nan 8.270 nan 0.000 0.598 387 E N 0.643 120.770 120.200 -0.121 0.000 2.314 387 E HA 0.271 4.621 4.350 -0.000 0.000 0.262 387 E C -0.552 175.885 176.600 -0.272 0.000 1.093 387 E CA -0.168 56.152 56.400 -0.133 0.000 0.908 387 E CB 1.474 31.134 29.700 -0.066 0.000 1.091 387 E HN -0.109 nan 8.360 nan 0.000 0.425 388 S N 0.138 115.615 115.700 -0.372 0.000 2.566 388 S HA 0.371 4.840 4.470 -0.000 0.000 0.298 388 S C -0.416 173.685 174.600 -0.832 0.000 1.083 388 S CA -0.646 57.065 58.200 -0.815 0.000 0.978 388 S CB 0.895 63.368 63.200 -1.212 0.000 1.073 388 S HN 0.804 nan 8.310 nan 0.000 0.491 389 Y N -0.781 118.969 120.300 -0.916 0.000 2.736 389 Y HA -0.363 4.187 4.550 -0.000 0.000 0.479 389 Y C 0.026 175.406 175.900 -0.866 0.000 1.110 389 Y CA 1.507 58.891 58.100 -1.193 0.000 2.900 389 Y CB -1.096 36.762 38.460 -1.003 0.000 1.048 389 Y HN 0.585 nan 8.280 nan 0.000 0.588 390 F N 0.804 120.720 119.950 -0.057 0.000 2.482 390 F HA 0.606 5.133 4.527 -0.000 0.000 0.331 390 F C 0.152 175.905 175.800 -0.079 0.000 1.115 390 F CA -0.677 57.319 58.000 -0.007 0.000 0.955 390 F CB 1.836 40.911 39.000 0.126 0.000 1.136 390 F HN 0.045 nan 8.300 nan 0.000 0.452 391 V N -1.319 118.551 119.914 -0.075 0.000 3.141 391 V HA 0.653 4.773 4.120 -0.000 0.000 0.312 391 V C -1.200 174.440 176.094 -0.757 0.000 1.157 391 V CA -0.885 61.154 62.300 -0.435 0.000 1.041 391 V CB 2.030 33.677 31.823 -0.294 0.000 1.071 391 V HN 0.583 nan 8.190 nan 0.000 0.441 392 D N 1.155 120.886 120.400 -1.115 0.000 2.256 392 D HA 0.672 5.312 4.640 -0.000 0.000 0.250 392 D C 0.312 176.422 176.300 -0.315 0.000 1.093 392 D CA 0.514 54.030 54.000 -0.808 0.000 0.882 392 D CB 1.740 42.116 40.800 -0.707 0.000 1.185 392 D HN 1.109 nan 8.370 nan 0.000 0.437 393 A N 0.000 122.721 122.820 -0.164 0.000 2.254 393 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 393 A CA 0.000 51.986 52.037 -0.084 0.000 0.836 393 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 393 A HN 0.000 nan 8.150 nan 0.000 0.486