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 2vz0_1_A DATA FIRST_RESID 2 DATA SEQUENCE EAPAAVVTGA AKRIGRAIAV KLHQTGYRVV IHYHNSAEAA VSLADELNKE DATA SEQUENCE RSNTAVVCQA DLTNSNVLPA SCEEIINSCF RAFGRCDVLV NNASAFYPTP DATA SEQUENCE LVXXXXXXXX XGKTVETQVA ELIGTNAIAP FLLTMSFAQR QXXXXXXXXX DATA SEQUENCE SNLSIVNLCD AMVDQPCMAF SLYNMGKHAL VGLTQSAALE LAPYGIRVNG DATA SEQUENCE VAPGVSLLPV AMGEEEKDKW RRKVPLGRRE ASAEQIADAV IFLVSGSAQY DATA SEQUENCE ITGSIIKVDG GLSLVHA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.540 176.600 -0.101 0.000 1.382 2 E CA 0.000 56.365 56.400 -0.058 0.000 0.976 2 E CB 0.000 29.678 29.700 -0.036 0.000 0.812 3 A N 4.417 127.162 122.820 -0.125 0.000 2.401 3 A HA 0.556 40.092 4.320 58.693 0.000 0.259 3 A C -2.252 175.201 177.584 -0.218 0.000 1.103 3 A CA -0.935 50.982 52.037 -0.200 0.000 0.789 3 A CB 0.097 18.968 19.000 -0.215 0.000 1.035 3 A HN 0.315 nan 8.150 nan 0.000 0.491 4 P HA 0.437 nan 4.420 nan 0.000 0.274 4 P C -0.538 176.681 177.300 -0.135 0.000 1.256 4 P CA -0.058 62.894 63.100 -0.248 0.000 0.795 4 P CB 1.072 32.516 31.700 -0.428 0.000 1.038 5 A N 0.159 123.010 122.820 0.051 0.000 2.401 5 A HA 0.776 40.312 4.320 58.693 0.000 0.310 5 A C -1.108 176.599 177.584 0.205 0.000 1.075 5 A CA -0.619 51.458 52.037 0.067 0.000 0.746 5 A CB 1.555 20.555 19.000 0.000 0.000 1.277 5 A HN 0.601 nan 8.150 nan 0.000 0.425 6 A N 0.789 123.695 122.820 0.143 0.000 2.449 6 A HA 0.693 40.229 4.320 58.693 0.000 0.302 6 A C -1.122 176.514 177.584 0.087 0.000 1.048 6 A CA -0.451 51.617 52.037 0.053 0.000 0.708 6 A CB 1.443 20.333 19.000 -0.184 0.000 1.274 6 A HN 1.219 nan 8.150 nan 0.000 0.410 7 V N 2.274 122.235 119.914 0.078 0.000 2.394 7 V HA 0.471 39.807 4.120 58.693 0.000 0.282 7 V C -0.382 175.732 176.094 0.033 0.000 1.031 7 V CA -0.347 62.006 62.300 0.088 0.000 0.881 7 V CB 1.388 33.269 31.823 0.097 0.000 0.982 7 V HN 0.642 nan 8.190 nan 0.000 0.451 8 V N 4.278 124.229 119.914 0.061 0.000 2.409 8 V HA 0.456 39.792 4.120 58.693 0.000 0.291 8 V C 0.366 176.525 176.094 0.107 0.000 1.020 8 V CA -0.608 61.719 62.300 0.046 0.000 0.848 8 V CB 2.042 33.885 31.823 0.032 0.000 0.990 8 V HN 0.986 nan 8.190 nan 0.000 0.430 9 T N 0.563 115.163 114.554 0.076 0.000 2.909 9 T HA 0.554 40.120 4.350 58.693 0.000 0.289 9 T C 0.965 175.817 174.700 0.253 0.000 1.005 9 T CA 0.252 62.440 62.100 0.147 0.000 1.084 9 T CB 1.362 70.177 68.868 -0.087 0.000 0.975 9 T HN 1.917 nan 8.240 nan 0.000 0.509 10 G N 1.015 110.106 108.800 0.486 0.000 2.338 10 G HA2 -0.000 39.176 3.960 58.693 0.000 0.296 10 G HA3 -0.000 39.176 3.960 58.693 0.000 0.296 10 G C 0.622 175.615 174.900 0.155 0.000 1.040 10 G CA -0.017 45.237 45.100 0.257 0.000 1.004 10 G HN 1.511 nan 8.290 nan 0.000 0.509 11 A N -0.842 122.068 122.820 0.150 0.000 2.348 11 A HA 0.731 40.267 4.320 58.693 0.000 0.224 11 A C 2.375 179.998 177.584 0.065 0.000 1.227 11 A CA 1.247 53.342 52.037 0.097 0.000 0.885 11 A CB -0.082 18.980 19.000 0.104 0.000 0.933 11 A HN 1.771 nan 8.150 nan 0.000 0.506 12 A N 0.775 123.634 122.820 0.066 0.000 1.972 12 A HA 0.034 39.571 4.320 58.693 0.000 0.219 12 A C 1.243 178.828 177.584 0.001 0.000 1.169 12 A CA 1.603 53.648 52.037 0.014 0.000 0.635 12 A CB -0.193 18.801 19.000 -0.009 0.000 0.810 12 A HN 0.650 nan 8.150 nan 0.000 0.446 13 K N -3.562 116.848 120.400 0.017 0.000 2.499 13 K HA 0.652 40.188 4.320 58.693 0.000 0.277 13 K C 0.008 176.614 176.600 0.010 0.000 1.025 13 K CA -0.830 55.461 56.287 0.007 0.000 0.900 13 K CB 1.534 34.036 32.500 0.003 0.000 1.494 13 K HN 0.102 nan 8.250 nan 0.000 0.442 14 R N -0.741 119.760 120.500 0.001 0.000 3.964 14 R HA -0.269 39.287 4.340 58.693 0.000 0.391 14 R C 1.548 177.845 176.300 -0.005 0.000 0.241 14 R CA 1.481 57.578 56.100 -0.005 0.000 1.259 14 R CB -1.759 28.538 30.300 -0.006 0.000 1.039 14 R HN 0.695 nan 8.270 nan 0.000 0.544 15 I N 0.523 121.087 120.570 -0.010 0.000 2.315 15 I HA -0.154 39.232 4.170 58.693 0.000 0.248 15 I C 2.467 178.584 176.117 -0.000 0.000 1.117 15 I CA 1.758 63.051 61.300 -0.012 0.000 1.404 15 I CB -0.522 37.463 38.000 -0.025 0.000 1.071 15 I HN 0.747 nan 8.210 nan 0.000 0.419 16 G N 0.653 109.461 108.800 0.013 0.000 2.440 16 G HA2 -0.295 38.881 3.960 58.693 0.000 0.218 16 G HA3 -0.295 38.881 3.960 58.693 0.000 0.218 16 G C 1.770 176.684 174.900 0.024 0.000 1.154 16 G CA 0.793 45.909 45.100 0.027 0.000 0.767 16 G HN 0.294 nan 8.290 nan 0.000 0.552 17 R N 0.569 121.080 120.500 0.019 0.000 2.081 17 R HA 0.042 39.598 4.340 58.693 0.000 0.235 17 R C 2.834 179.138 176.300 0.008 0.000 1.131 17 R CA 1.517 57.624 56.100 0.012 0.000 0.960 17 R CB -0.420 29.882 30.300 0.004 0.000 0.856 17 R HN 0.271 nan 8.270 nan 0.000 0.436 18 A N 0.989 123.812 122.820 0.004 0.000 1.902 18 A HA -0.135 39.401 4.320 58.693 0.000 0.217 18 A C 2.141 179.728 177.584 0.005 0.000 1.181 18 A CA 1.449 53.488 52.037 0.004 0.000 0.623 18 A CB -0.457 18.543 19.000 -0.001 0.000 0.818 18 A HN 0.378 nan 8.150 nan 0.000 0.443 19 I N -0.349 120.220 120.570 -0.000 0.000 2.202 19 I HA -0.244 39.142 4.170 58.693 0.000 0.242 19 I C 2.985 179.097 176.117 -0.010 0.000 1.091 19 I CA 1.005 62.298 61.300 -0.012 0.000 1.368 19 I CB -0.358 37.629 38.000 -0.022 0.000 1.058 19 I HN 0.339 nan 8.210 nan 0.000 0.410 20 A N 0.431 123.254 122.820 0.005 0.000 1.908 20 A HA -0.174 39.362 4.320 58.693 0.000 0.218 20 A C 2.451 180.066 177.584 0.052 0.000 1.181 20 A CA 1.950 54.000 52.037 0.022 0.000 0.627 20 A CB -1.044 17.975 19.000 0.031 0.000 0.818 20 A HN 0.243 nan 8.150 nan 0.000 0.445 21 V N -0.072 119.866 119.914 0.041 0.000 2.295 21 V HA -0.266 39.070 4.120 58.693 0.000 0.246 21 V C 2.550 178.700 176.094 0.094 0.000 1.049 21 V CA 2.443 64.780 62.300 0.062 0.000 1.024 21 V CB -0.599 31.242 31.823 0.030 0.000 0.648 21 V HN 0.642 nan 8.190 nan 0.000 0.447 22 K N -0.404 120.030 120.400 0.057 0.000 2.057 22 K HA -0.106 39.430 4.320 58.693 0.000 0.206 22 K C 2.149 178.790 176.600 0.068 0.000 1.050 22 K CA 1.259 57.579 56.287 0.054 0.000 0.935 22 K CB -0.188 32.331 32.500 0.031 0.000 0.715 22 K HN 0.354 nan 8.250 nan 0.000 0.439 23 L N 0.135 121.380 121.223 0.038 0.000 2.042 23 L HA -0.259 39.297 4.340 58.693 0.000 0.210 23 L C 2.751 179.732 176.870 0.186 0.000 1.076 23 L CA 1.451 56.310 54.840 0.032 0.000 0.749 23 L CB -0.643 41.304 42.059 -0.186 0.000 0.893 23 L HN 0.434 nan 8.230 nan 0.000 0.432 24 H N 0.308 119.418 119.070 0.066 0.000 2.353 24 H HA -0.169 39.602 4.556 58.692 0.000 0.300 24 H C 2.162 177.521 175.328 0.052 0.000 1.090 24 H CA 1.814 57.897 56.048 0.060 0.000 1.327 24 H CB 0.229 30.007 29.762 0.028 0.000 1.383 24 H HN 0.456 nan 8.280 nan 0.000 0.508 25 Q N -0.484 119.378 119.800 0.105 0.000 2.226 25 Q HA -0.080 39.476 4.340 58.693 0.000 0.204 25 Q C 1.996 178.001 176.000 0.008 0.000 0.975 25 Q CA 1.738 57.568 55.803 0.045 0.000 0.866 25 Q CB 0.164 28.945 28.738 0.071 0.000 0.915 25 Q HN 0.398 nan 8.270 nan 0.000 0.440 26 T N -1.215 113.371 114.554 0.052 0.000 3.055 26 T HA 0.065 39.631 4.350 58.693 0.000 0.265 26 T C 1.171 175.861 174.700 -0.017 0.000 1.111 26 T CA 0.960 63.099 62.100 0.066 0.000 1.118 26 T CB 0.218 69.196 68.868 0.184 0.000 0.909 26 T HN 0.589 nan 8.240 nan 0.000 0.501 27 G N 0.109 108.862 108.800 -0.079 0.000 2.175 27 G HA2 -0.178 38.998 3.960 58.693 0.000 0.182 27 G HA3 -0.178 38.998 3.960 58.693 0.000 0.182 27 G C -0.146 174.588 174.900 -0.276 0.000 1.003 27 G CA -0.789 44.185 45.100 -0.210 0.000 0.666 27 G HN 0.480 nan 8.290 nan 0.000 0.506 28 Y N 1.561 121.752 120.300 -0.181 0.000 2.425 28 Y HA 0.511 40.274 4.550 58.690 0.000 0.331 28 Y C 1.543 177.304 175.900 -0.231 0.000 1.157 28 Y CA -0.101 57.894 58.100 -0.174 0.000 1.372 28 Y CB 0.537 38.938 38.460 -0.098 0.000 1.253 28 Y HN 0.118 nan 8.280 nan 0.000 0.536 29 R N 2.139 122.514 120.500 -0.210 0.000 2.490 29 R HA 0.470 40.026 4.340 58.693 0.000 0.280 29 R C -0.908 175.182 176.300 -0.349 0.000 1.077 29 R CA -0.657 55.135 56.100 -0.513 0.000 1.065 29 R CB 0.655 30.192 30.300 -1.272 0.000 1.003 29 R HN 0.520 nan 8.270 nan 0.000 0.470 30 V N -0.399 119.440 119.914 -0.125 0.000 2.656 30 V HA 0.488 39.824 4.120 58.693 0.000 0.307 30 V C -0.327 175.979 176.094 0.354 0.000 1.051 30 V CA -0.985 61.398 62.300 0.137 0.000 0.893 30 V CB 2.085 33.984 31.823 0.128 0.000 0.999 30 V HN 0.401 nan 8.190 nan 0.000 0.426 31 V N 6.129 126.241 119.914 0.330 0.000 2.364 31 V HA 0.409 39.745 4.120 58.693 0.000 0.272 31 V C 0.272 176.485 176.094 0.197 0.000 1.036 31 V CA -0.145 62.319 62.300 0.273 0.000 0.880 31 V CB 1.039 32.999 31.823 0.228 0.000 0.991 31 V HN 0.808 nan 8.190 nan 0.000 0.460 32 I N 5.923 126.605 120.570 0.186 0.000 2.256 32 I HA 0.182 39.568 4.170 58.693 0.000 0.294 32 I C 0.747 176.999 176.117 0.226 0.000 1.127 32 I CA -0.046 61.357 61.300 0.172 0.000 1.247 32 I CB -0.165 37.910 38.000 0.124 0.000 1.460 32 I HN 0.655 nan 8.210 nan 0.000 0.511 33 H N 7.689 126.840 119.070 0.136 0.000 2.732 33 H HA 0.200 39.971 4.556 58.693 0.000 0.351 33 H C -1.317 174.123 175.328 0.186 0.000 1.090 33 H CA 0.125 56.235 56.048 0.103 0.000 1.431 33 H CB 0.892 30.677 29.762 0.038 0.000 1.447 33 H HN 0.550 nan 8.280 nan 0.000 0.582 34 Y N 2.007 121.792 120.300 -0.859 0.000 2.655 34 Y HA 0.264 40.029 4.550 58.692 0.000 0.336 34 Y C 0.152 175.740 175.900 -0.520 0.000 1.154 34 Y CA -0.925 56.846 58.100 -0.548 0.000 1.055 34 Y CB 1.082 39.423 38.460 -0.199 0.000 1.295 34 Y HN 0.701 nan 8.280 nan 0.000 0.465 35 H N 0.101 119.055 119.070 -0.192 0.000 2.329 35 H HA 0.268 40.039 4.556 58.693 0.000 0.285 35 H C 0.090 175.474 175.328 0.093 0.000 1.062 35 H CA 0.413 56.394 56.048 -0.112 0.000 1.511 35 H CB 0.608 30.386 29.762 0.026 0.000 1.471 35 H HN 0.716 nan 8.280 nan 0.000 0.613 36 N N 0.449 119.107 118.700 -0.069 0.000 2.388 36 N HA 0.026 39.982 4.740 58.693 0.000 0.176 36 N C 0.138 175.675 175.510 0.044 0.000 1.062 36 N CA 0.267 53.252 53.050 -0.108 0.000 0.895 36 N CB 0.672 39.029 38.487 -0.216 0.000 1.018 36 N HN 0.058 nan 8.380 nan 0.000 0.456 37 S N 1.258 117.016 115.700 0.098 0.000 3.983 37 S HA 0.323 40.009 4.470 58.693 0.000 0.194 37 S C 1.364 175.794 174.600 -0.284 0.000 1.464 37 S CA -0.341 57.834 58.200 -0.041 0.000 1.021 37 S CB 0.269 63.460 63.200 -0.016 0.000 1.424 37 S HN 0.311 nan 8.310 nan 0.000 0.473 38 A N 1.824 124.435 122.820 -0.348 0.000 1.877 38 A HA -0.153 39.383 4.320 58.693 0.000 0.216 38 A C 2.063 179.372 177.584 -0.458 0.000 1.186 38 A CA 1.537 53.156 52.037 -0.696 0.000 0.620 38 A CB -0.441 18.405 19.000 -0.257 0.000 0.822 38 A HN 0.639 nan 8.150 nan 0.000 0.443 39 E N -0.057 119.997 120.200 -0.242 0.000 2.038 39 E HA -0.152 39.414 4.350 58.693 0.000 0.195 39 E C 2.105 178.605 176.600 -0.167 0.000 1.000 39 E CA 1.399 57.700 56.400 -0.164 0.000 0.803 39 E CB -0.330 29.309 29.700 -0.102 0.000 0.750 39 E HN 0.501 nan 8.360 nan 0.000 0.448 40 A N 1.039 123.763 122.820 -0.160 0.000 1.902 40 A HA -0.094 39.443 4.320 58.693 0.000 0.217 40 A C 2.416 179.912 177.584 -0.147 0.000 1.181 40 A CA 1.893 53.856 52.037 -0.124 0.000 0.623 40 A CB -0.891 18.057 19.000 -0.086 0.000 0.818 40 A HN 0.451 nan 8.150 nan 0.000 0.443 41 A N -0.512 122.160 122.820 -0.247 0.000 1.877 41 A HA -0.029 39.507 4.320 58.693 0.000 0.216 41 A C 2.234 179.712 177.584 -0.176 0.000 1.186 41 A CA 1.877 53.771 52.037 -0.238 0.000 0.620 41 A CB -0.999 17.707 19.000 -0.490 0.000 0.822 41 A HN 0.412 nan 8.150 nan 0.000 0.443 42 V N -0.452 119.330 119.914 -0.221 0.000 2.343 42 V HA -0.213 39.123 4.120 58.693 0.000 0.247 42 V C 2.805 178.849 176.094 -0.084 0.000 1.051 42 V CA 2.301 64.525 62.300 -0.127 0.000 1.036 42 V CB -0.809 30.939 31.823 -0.125 0.000 0.654 42 V HN 0.662 nan 8.190 nan 0.000 0.451 43 S N -0.159 115.487 115.700 -0.091 0.000 2.356 43 S HA -0.197 39.489 4.470 58.693 0.000 0.223 43 S C 1.959 176.524 174.600 -0.058 0.000 1.032 43 S CA 2.010 60.171 58.200 -0.065 0.000 1.005 43 S CB -0.356 62.805 63.200 -0.064 0.000 0.867 43 S HN 0.440 nan 8.310 nan 0.000 0.449 44 L N 1.869 123.055 121.223 -0.063 0.000 2.046 44 L HA 0.105 39.661 4.340 58.693 0.000 0.208 44 L C 2.451 179.283 176.870 -0.065 0.000 1.077 44 L CA 2.203 57.009 54.840 -0.058 0.000 0.747 44 L CB -1.267 40.764 42.059 -0.047 0.000 0.896 44 L HN 0.312 nan 8.230 nan 0.000 0.432 45 A N -0.740 122.051 122.820 -0.048 0.000 1.902 45 A HA -0.228 39.308 4.320 58.693 0.000 0.217 45 A C 1.997 179.560 177.584 -0.036 0.000 1.181 45 A CA 1.863 53.881 52.037 -0.031 0.000 0.623 45 A CB -0.927 18.077 19.000 0.006 0.000 0.818 45 A HN 0.535 nan 8.150 nan 0.000 0.443 46 D N -0.243 120.137 120.400 -0.033 0.000 2.104 46 D HA -0.156 39.700 4.640 58.693 0.000 0.194 46 D C 1.947 178.227 176.300 -0.033 0.000 0.994 46 D CA 1.501 55.486 54.000 -0.025 0.000 0.830 46 D CB -0.409 40.375 40.800 -0.026 0.000 0.959 46 D HN 0.621 nan 8.370 nan 0.000 0.452 47 E N -0.068 120.103 120.200 -0.048 0.000 2.058 47 E HA -0.147 39.419 4.350 58.693 0.000 0.194 47 E C 2.365 178.915 176.600 -0.083 0.000 0.997 47 E CA 0.622 56.990 56.400 -0.053 0.000 0.801 47 E CB -0.103 29.564 29.700 -0.056 0.000 0.746 47 E HN 0.298 nan 8.360 nan 0.000 0.450 48 L N 0.956 122.081 121.223 -0.163 0.000 2.109 48 L HA -0.133 39.423 4.340 58.693 0.000 0.207 48 L C 2.098 178.876 176.870 -0.153 0.000 1.086 48 L CA 0.569 55.192 54.840 -0.361 0.000 0.760 48 L CB -0.382 41.278 42.059 -0.664 0.000 0.910 48 L HN 0.093 nan 8.230 nan 0.000 0.437 49 N N 1.051 119.721 118.700 -0.051 0.000 2.309 49 N HA -0.160 39.796 4.740 58.693 0.000 0.182 49 N C 1.726 177.260 175.510 0.040 0.000 1.018 49 N CA 1.230 54.300 53.050 0.034 0.000 0.876 49 N CB -0.065 38.447 38.487 0.041 0.000 0.972 49 N HN 0.521 nan 8.380 nan 0.000 0.434 50 K N 0.547 120.958 120.400 0.018 0.000 2.288 50 K HA -0.015 39.521 4.320 58.693 0.000 0.201 50 K C 1.747 178.371 176.600 0.039 0.000 1.048 50 K CA 0.910 57.211 56.287 0.023 0.000 0.956 50 K CB 0.076 32.581 32.500 0.010 0.000 0.746 50 K HN -0.086 nan 8.250 nan 0.000 0.461 51 E N 1.409 121.643 120.200 0.057 0.000 2.028 51 E HA -0.003 39.563 4.350 58.693 0.000 0.190 51 E C -0.089 176.578 176.600 0.112 0.000 0.984 51 E CA 1.039 57.497 56.400 0.097 0.000 0.800 51 E CB 0.388 30.182 29.700 0.157 0.000 0.758 51 E HN 0.212 nan 8.360 nan 0.000 0.448 52 R N 0.169 120.763 120.500 0.157 0.000 2.514 52 R HA 0.303 39.859 4.340 58.693 0.000 0.296 52 R C -0.950 175.416 176.300 0.109 0.000 1.012 52 R CA -0.273 55.891 56.100 0.107 0.000 0.897 52 R CB 1.900 32.243 30.300 0.072 0.000 1.184 52 R HN 0.144 nan 8.270 nan 0.000 0.440 53 S N 2.964 118.707 115.700 0.073 0.000 2.552 53 S HA -0.016 39.670 4.470 58.693 0.000 0.289 53 S C 0.540 175.198 174.600 0.096 0.000 1.304 53 S CA -0.300 57.943 58.200 0.073 0.000 1.063 53 S CB 0.295 63.526 63.200 0.053 0.000 0.848 53 S HN 0.822 nan 8.310 nan 0.000 0.499 54 N N 0.614 119.384 118.700 0.116 0.000 2.754 54 N HA -0.153 39.803 4.740 58.693 0.000 0.248 54 N C 0.462 176.122 175.510 0.250 0.000 1.093 54 N CA 1.282 54.433 53.050 0.169 0.000 0.699 54 N CB -2.004 36.567 38.487 0.141 0.000 1.016 54 N HN 1.052 nan 8.380 nan 0.000 0.552 55 T N -3.822 110.862 114.554 0.216 0.000 3.085 55 T HA 0.604 40.170 4.350 58.693 0.000 0.264 55 T C 0.374 175.192 174.700 0.197 0.000 1.019 55 T CA 0.395 62.585 62.100 0.149 0.000 0.910 55 T CB 0.869 69.853 68.868 0.194 0.000 1.059 55 T HN 0.503 nan 8.240 nan 0.000 0.542 56 A N 1.065 124.083 122.820 0.330 0.000 2.547 56 A HA 0.776 40.312 4.320 58.693 0.000 0.297 56 A C -0.868 176.894 177.584 0.297 0.000 1.056 56 A CA -0.719 51.509 52.037 0.319 0.000 0.688 56 A CB 1.758 20.813 19.000 0.092 0.000 1.282 56 A HN 1.027 nan 8.150 nan 0.000 0.400 57 V N 0.047 120.126 119.914 0.274 0.000 3.049 57 V HA 0.910 40.246 4.120 58.693 0.000 0.309 57 V C 0.072 176.247 176.094 0.135 0.000 1.148 57 V CA -0.429 61.948 62.300 0.128 0.000 0.990 57 V CB 0.948 32.766 31.823 -0.008 0.000 1.039 57 V HN 1.883 nan 8.190 nan 0.000 0.430 58 V N -0.013 119.975 119.914 0.124 0.000 3.134 58 V HA 0.870 40.206 4.120 58.693 0.000 0.313 58 V C 0.088 176.292 176.094 0.183 0.000 1.069 58 V CA -0.245 62.173 62.300 0.196 0.000 1.048 58 V CB 1.367 33.331 31.823 0.234 0.000 1.119 58 V HN 1.738 nan 8.190 nan 0.000 0.461 59 C N 3.292 122.703 119.300 0.186 0.000 2.833 59 C HA 0.399 40.075 4.460 58.693 0.000 0.383 59 C C -0.646 174.208 174.990 -0.228 0.000 1.058 59 C CA -0.369 58.677 59.018 0.048 0.000 1.259 59 C CB 0.829 28.628 27.740 0.097 0.000 1.726 59 C HN 1.114 nan 8.230 nan 0.000 0.484 60 Q N 3.184 122.750 119.800 -0.390 0.000 2.261 60 Q HA 0.722 40.278 4.340 58.693 0.000 0.252 60 Q C -0.483 175.373 176.000 -0.240 0.000 0.915 60 Q CA 0.293 55.645 55.803 -0.752 0.000 0.915 60 Q CB 1.779 30.159 28.738 -0.597 0.000 1.204 60 Q HN 1.087 nan 8.270 nan 0.000 0.421 61 A N 3.633 126.373 122.820 -0.133 0.000 2.555 61 A HA 0.282 39.818 4.320 58.693 0.000 0.297 61 A C -1.488 176.168 177.584 0.120 0.000 1.060 61 A CA -0.792 51.296 52.037 0.086 0.000 0.710 61 A CB 1.288 20.367 19.000 0.132 0.000 1.282 61 A HN 0.677 nan 8.150 nan 0.000 0.399 62 D N 1.611 122.001 120.400 -0.016 0.000 2.312 62 D HA 0.413 40.269 4.640 58.693 0.000 0.252 62 D C 0.322 176.528 176.300 -0.158 0.000 1.150 62 D CA 0.028 53.856 54.000 -0.287 0.000 0.870 62 D CB 0.821 41.512 40.800 -0.181 0.000 1.153 62 D HN 0.392 nan 8.370 nan 0.000 0.457 63 L N 2.890 124.002 121.223 -0.185 0.000 2.818 63 L HA 0.152 39.708 4.340 58.693 0.000 0.243 63 L C 0.693 177.523 176.870 -0.068 0.000 1.185 63 L CA -0.208 54.574 54.840 -0.098 0.000 0.988 63 L CB 0.149 42.158 42.059 -0.084 0.000 1.292 63 L HN 0.266 nan 8.230 nan 0.000 0.519 64 T N 0.392 114.895 114.554 -0.084 0.000 2.940 64 T HA -0.026 39.541 4.350 58.693 0.000 0.309 64 T C 0.435 175.129 174.700 -0.010 0.000 1.056 64 T CA -0.072 62.012 62.100 -0.026 0.000 1.137 64 T CB 0.531 69.392 68.868 -0.012 0.000 0.976 64 T HN 0.107 nan 8.240 nan 0.000 0.547 65 N N 1.769 120.473 118.700 0.007 0.000 2.458 65 N HA 0.266 40.222 4.740 58.693 0.000 0.258 65 N C -0.339 175.178 175.510 0.012 0.000 1.219 65 N CA 0.302 53.359 53.050 0.012 0.000 0.902 65 N CB 0.278 38.774 38.487 0.014 0.000 1.076 65 N HN 0.813 nan 8.380 nan 0.000 0.455 66 S N 1.850 117.558 115.700 0.013 0.000 2.636 66 S HA 0.308 39.994 4.470 58.693 0.000 0.266 66 S C 0.080 174.688 174.600 0.014 0.000 1.147 66 S CA -0.918 57.290 58.200 0.013 0.000 0.815 66 S CB 0.441 63.648 63.200 0.010 0.000 1.119 66 S HN 0.418 nan 8.310 nan 0.000 0.470 67 N N 0.216 118.924 118.700 0.013 0.000 2.453 67 N HA 0.008 39.964 4.740 58.693 0.000 0.183 67 N C 1.282 176.799 175.510 0.012 0.000 1.041 67 N CA 0.955 54.013 53.050 0.014 0.000 0.900 67 N CB -0.228 38.266 38.487 0.011 0.000 0.961 67 N HN 0.479 nan 8.380 nan 0.000 0.443 68 V N 0.355 120.274 119.914 0.009 0.000 3.506 68 V HA 0.085 39.421 4.120 58.693 0.000 0.263 68 V C 1.786 177.882 176.094 0.003 0.000 1.203 68 V CA 0.130 62.434 62.300 0.006 0.000 1.133 68 V CB -0.171 31.655 31.823 0.005 0.000 0.802 68 V HN 0.087 nan 8.190 nan 0.000 0.459 69 L N 1.806 123.032 121.223 0.005 0.000 2.043 69 L HA -0.058 39.498 4.340 58.693 0.000 0.212 69 L C -0.268 176.602 176.870 -0.001 0.000 1.075 69 L CA 2.677 57.517 54.840 0.001 0.000 0.752 69 L CB -1.580 40.484 42.059 0.009 0.000 0.891 69 L HN 0.263 nan 8.230 nan 0.000 0.432 70 P HA -0.187 nan 4.420 nan 0.000 0.215 70 P C 1.588 178.878 177.300 -0.016 0.000 1.157 70 P CA 2.149 65.247 63.100 -0.004 0.000 0.874 70 P CB -0.209 31.495 31.700 0.006 0.000 0.790 71 A N -0.765 122.049 122.820 -0.010 0.000 1.902 71 A HA -0.186 39.350 4.320 58.693 0.000 0.217 71 A C 2.362 179.939 177.584 -0.012 0.000 1.181 71 A CA 2.237 54.267 52.037 -0.012 0.000 0.623 71 A CB -1.577 17.418 19.000 -0.007 0.000 0.818 71 A HN 0.120 nan 8.150 nan 0.000 0.443 72 S N -0.823 114.871 115.700 -0.011 0.000 2.370 72 S HA -0.213 39.473 4.470 58.693 0.000 0.226 72 S C 1.951 176.538 174.600 -0.022 0.000 1.033 72 S CA 1.526 59.719 58.200 -0.013 0.000 1.011 72 S CB -0.710 62.481 63.200 -0.015 0.000 0.852 72 S HN 0.728 nan 8.310 nan 0.000 0.457 73 C N 1.264 120.545 119.300 -0.032 0.000 2.446 73 C HA -0.012 39.664 4.460 58.693 0.000 0.277 73 C C 2.681 177.658 174.990 -0.022 0.000 1.275 73 C CA 0.460 59.452 59.018 -0.042 0.000 1.727 73 C CB -1.176 26.532 27.740 -0.053 0.000 2.010 73 C HN 0.681 nan 8.230 nan 0.000 0.486 74 E N 1.099 121.285 120.200 -0.023 0.000 2.085 74 E HA -0.284 39.282 4.350 58.693 0.000 0.194 74 E C 2.034 178.636 176.600 0.003 0.000 0.994 74 E CA 1.650 58.041 56.400 -0.016 0.000 0.801 74 E CB -0.113 29.570 29.700 -0.030 0.000 0.743 74 E HN 0.595 nan 8.360 nan 0.000 0.453 75 E N 0.687 120.888 120.200 0.002 0.000 2.106 75 E HA -0.148 39.418 4.350 58.693 0.000 0.192 75 E C 1.876 178.496 176.600 0.032 0.000 0.984 75 E CA 1.120 57.528 56.400 0.013 0.000 0.806 75 E CB -0.257 29.447 29.700 0.007 0.000 0.750 75 E HN 0.410 nan 8.360 nan 0.000 0.458 76 I N 0.310 120.897 120.570 0.028 0.000 2.179 76 I HA -0.259 39.127 4.170 58.693 0.000 0.242 76 I C 1.857 178.024 176.117 0.083 0.000 1.088 76 I CA 0.690 62.017 61.300 0.045 0.000 1.357 76 I CB -0.307 37.692 38.000 -0.001 0.000 1.051 76 I HN 0.197 nan 8.210 nan 0.000 0.409 77 I N 0.825 121.455 120.570 0.099 0.000 2.226 77 I HA -0.255 39.131 4.170 58.693 0.000 0.245 77 I C 2.191 178.460 176.117 0.253 0.000 1.100 77 I CA 1.501 62.913 61.300 0.186 0.000 1.374 77 I CB -1.760 36.358 38.000 0.196 0.000 1.057 77 I HN 0.306 nan 8.210 nan 0.000 0.413 78 N N 0.734 119.525 118.700 0.151 0.000 2.149 78 N HA -0.179 39.777 4.740 58.693 0.000 0.188 78 N C 2.086 177.679 175.510 0.139 0.000 1.019 78 N CA 1.683 54.813 53.050 0.133 0.000 0.857 78 N CB -0.385 38.124 38.487 0.037 0.000 0.997 78 N HN 0.394 nan 8.380 nan 0.000 0.426 79 S N -0.408 115.346 115.700 0.090 0.000 2.423 79 S HA -0.090 39.596 4.470 58.693 0.000 0.231 79 S C 2.355 176.952 174.600 -0.006 0.000 1.014 79 S CA 0.858 59.078 58.200 0.033 0.000 0.965 79 S CB -0.670 62.547 63.200 0.028 0.000 0.785 79 S HN 0.480 nan 8.310 nan 0.000 0.495 80 C N 0.499 119.835 119.300 0.060 0.000 2.453 80 C HA 0.105 39.781 4.460 58.693 0.000 0.277 80 C C 2.216 177.178 174.990 -0.048 0.000 1.262 80 C CA 0.822 59.854 59.018 0.023 0.000 1.718 80 C CB -1.930 25.845 27.740 0.058 0.000 2.031 80 C HN 0.695 nan 8.230 nan 0.000 0.480 81 F N 0.953 120.911 119.950 0.013 0.000 2.171 81 F HA -0.058 39.686 4.527 58.695 0.000 0.300 81 F C 2.612 178.388 175.800 -0.040 0.000 1.090 81 F CA 1.955 59.957 58.000 0.002 0.000 1.293 81 F CB -0.605 38.387 39.000 -0.014 0.000 1.013 81 F HN 0.222 nan 8.300 nan 0.000 0.486 82 R N 0.633 121.194 120.500 0.100 0.000 2.080 82 R HA -0.186 39.370 4.340 58.693 0.000 0.236 82 R C 2.343 178.577 176.300 -0.110 0.000 1.137 82 R CA 1.583 57.682 56.100 -0.000 0.000 0.943 82 R CB -0.573 29.715 30.300 -0.021 0.000 0.846 82 R HN 0.257 nan 8.270 nan 0.000 0.431 83 A N -0.336 122.302 122.820 -0.303 0.000 1.898 83 A HA -0.069 39.467 4.320 58.693 0.000 0.216 83 A C 1.593 178.853 177.584 -0.539 0.000 1.181 83 A CA 1.260 52.907 52.037 -0.650 0.000 0.620 83 A CB -0.250 17.947 19.000 -1.338 0.000 0.819 83 A HN 0.483 nan 8.150 nan 0.000 0.442 84 F N -2.708 117.247 119.950 0.008 0.000 2.784 84 F HA 0.394 40.139 4.527 58.696 0.000 0.323 84 F C 1.678 177.460 175.800 -0.029 0.000 1.085 84 F CA 0.301 58.291 58.000 -0.017 0.000 1.196 84 F CB 0.732 39.710 39.000 -0.037 0.000 1.053 84 F HN 0.364 nan 8.300 nan 0.000 0.578 85 G N 2.114 110.985 108.800 0.119 0.000 2.159 85 G HA2 -0.278 38.898 3.960 58.693 0.000 0.256 85 G HA3 -0.278 38.898 3.960 58.693 0.000 0.256 85 G C 0.135 175.095 174.900 0.099 0.000 0.977 85 G CA 0.325 45.511 45.100 0.143 0.000 0.652 85 G HN 0.541 nan 8.290 nan 0.000 0.531 86 R N -2.375 117.995 120.500 -0.217 0.000 2.728 86 R HA 0.651 40.207 4.340 58.693 0.000 0.274 86 R C -1.569 174.213 176.300 -0.864 0.000 1.032 86 R CA -0.429 55.356 56.100 -0.527 0.000 0.866 86 R CB 0.844 31.053 30.300 -0.152 0.000 1.263 86 R HN 0.765 nan 8.270 nan 0.000 0.475 87 C N 1.773 120.568 119.300 -0.842 0.000 2.679 87 C HA 0.396 40.072 4.460 58.693 0.000 0.354 87 C C -0.031 174.893 174.990 -0.110 0.000 1.067 87 C CA -0.397 58.360 59.018 -0.434 0.000 1.317 87 C CB 0.706 28.139 27.740 -0.513 0.000 1.843 87 C HN 0.950 nan 8.230 nan 0.000 0.459 88 D N 2.111 122.581 120.400 0.116 0.000 2.324 88 D HA 0.131 39.987 4.640 58.693 0.000 0.212 88 D C 0.218 176.775 176.300 0.429 0.000 0.984 88 D CA 1.000 55.146 54.000 0.243 0.000 0.885 88 D CB 0.930 41.858 40.800 0.213 0.000 0.996 88 D HN 0.384 nan 8.370 nan 0.000 0.505 89 V N 1.655 121.769 119.914 0.334 0.000 2.760 89 V HA 0.316 39.652 4.120 58.693 0.000 0.309 89 V C -1.093 174.993 176.094 -0.013 0.000 1.077 89 V CA -0.891 61.455 62.300 0.077 0.000 0.910 89 V CB 2.907 34.661 31.823 -0.115 0.000 1.008 89 V HN -0.033 nan 8.190 nan 0.000 0.424 90 L N 5.983 127.024 121.223 -0.303 0.000 2.356 90 L HA 0.796 40.352 4.340 58.693 0.000 0.277 90 L C -0.912 175.822 176.870 -0.227 0.000 0.996 90 L CA -0.099 54.582 54.840 -0.264 0.000 0.822 90 L CB 1.893 43.687 42.059 -0.442 0.000 1.256 90 L HN 0.422 nan 8.230 nan 0.000 0.413 91 V N 5.092 124.924 119.914 -0.137 0.000 2.378 91 V HA 0.464 39.800 4.120 58.693 0.000 0.288 91 V C -0.300 175.746 176.094 -0.080 0.000 1.016 91 V CA -0.695 61.537 62.300 -0.113 0.000 0.840 91 V CB 1.373 33.141 31.823 -0.093 0.000 0.994 91 V HN 0.719 nan 8.190 nan 0.000 0.431 92 N N 3.954 122.604 118.700 -0.082 0.000 2.602 92 N HA 0.149 40.105 4.740 58.693 0.000 0.238 92 N C 0.643 176.133 175.510 -0.033 0.000 1.084 92 N CA 0.094 53.107 53.050 -0.061 0.000 0.952 92 N CB 0.980 39.428 38.487 -0.065 0.000 1.244 92 N HN 0.801 nan 8.380 nan 0.000 0.512 93 N N 1.343 120.037 118.700 -0.010 0.000 2.564 93 N HA 0.079 40.035 4.740 58.693 0.000 0.202 93 N C 0.214 175.749 175.510 0.041 0.000 1.052 93 N CA -0.145 52.912 53.050 0.012 0.000 0.872 93 N CB 0.262 38.759 38.487 0.018 0.000 1.303 93 N HN 0.368 nan 8.380 nan 0.000 0.440 94 A N 0.289 123.147 122.820 0.063 0.000 2.540 94 A HA 0.408 39.944 4.320 58.693 0.000 0.239 94 A C -0.026 177.611 177.584 0.088 0.000 1.061 94 A CA 0.460 52.558 52.037 0.102 0.000 0.758 94 A CB -0.125 18.960 19.000 0.141 0.000 0.991 94 A HN 0.305 nan 8.150 nan 0.000 0.502 95 S N 1.030 116.801 115.700 0.118 0.000 2.590 95 S HA 0.560 40.246 4.470 58.693 0.000 0.286 95 S C -0.510 174.202 174.600 0.187 0.000 1.147 95 S CA 0.036 58.322 58.200 0.144 0.000 0.963 95 S CB 0.613 63.903 63.200 0.150 0.000 1.124 95 S HN 2.030 nan 8.310 nan 0.000 0.458 96 A N 3.578 126.513 122.820 0.192 0.000 2.340 96 A HA 0.814 40.350 4.320 58.693 0.000 0.268 96 A C -0.690 177.034 177.584 0.234 0.000 1.100 96 A CA -0.345 51.819 52.037 0.210 0.000 0.803 96 A CB 0.172 19.267 19.000 0.160 0.000 1.043 96 A HN 1.423 nan 8.150 nan 0.000 0.488 97 F N 3.293 123.248 119.950 0.008 0.000 2.915 97 F HA 0.566 40.311 4.527 58.697 0.000 0.350 97 F C -1.460 174.385 175.800 0.074 0.000 1.248 97 F CA -0.526 57.403 58.000 -0.118 0.000 1.084 97 F CB 1.047 39.915 39.000 -0.220 0.000 1.391 97 F HN 0.773 nan 8.300 nan 0.000 0.548 98 Y N 3.945 124.006 120.300 -0.398 0.000 2.702 98 Y HA 0.720 40.487 4.550 58.694 0.000 0.336 98 Y C -3.261 172.089 175.900 -0.915 0.000 1.203 98 Y CA -2.976 54.812 58.100 -0.520 0.000 1.072 98 Y CB 0.414 38.725 38.460 -0.249 0.000 1.327 98 Y HN 0.240 nan 8.280 nan 0.000 0.456 99 P HA 0.251 nan 4.420 nan 0.000 0.274 99 P C -0.416 176.646 177.300 -0.397 0.000 1.231 99 P CA -0.139 62.252 63.100 -1.182 0.000 0.790 99 P CB 1.308 32.467 31.700 -0.902 0.000 0.951 100 T N -1.467 112.893 114.554 -0.324 0.000 3.305 100 T HA 0.338 39.904 4.350 58.693 0.000 0.348 100 T C -2.555 172.088 174.700 -0.094 0.000 1.394 100 T CA -2.076 59.954 62.100 -0.116 0.000 1.549 100 T CB -0.092 68.743 68.868 -0.055 0.000 0.962 100 T HN 0.201 nan 8.240 nan 0.000 0.609 101 P HA 0.158 nan 4.420 nan 0.000 0.265 101 P C 1.039 178.325 177.300 -0.024 0.000 1.193 101 P CA -0.403 62.667 63.100 -0.049 0.000 0.765 101 P CB 1.152 32.826 31.700 -0.043 0.000 0.823 102 L N 1.778 122.996 121.223 -0.008 0.000 2.141 102 L HA -0.037 39.519 4.340 58.693 0.000 0.209 102 L C 1.218 178.086 176.870 -0.003 0.000 1.094 102 L CA 1.056 55.895 54.840 -0.003 0.000 0.763 102 L CB -0.316 41.746 42.059 0.005 0.000 0.908 102 L HN 0.186 nan 8.230 nan 0.000 0.437 114 K N 0.795 121.150 120.400 -0.074 0.000 2.326 114 K HA 0.444 39.980 4.320 58.693 0.000 0.275 114 K C 0.876 177.463 176.600 -0.022 0.000 1.018 114 K CA -0.006 56.251 56.287 -0.050 0.000 0.962 114 K CB 0.825 33.280 32.500 -0.074 0.000 0.953 114 K HN 0.708 nan 8.250 nan 0.000 0.475 115 T N -1.507 113.044 114.554 -0.005 0.000 2.860 115 T HA -0.007 39.559 4.350 58.693 0.000 0.299 115 T C 1.270 175.980 174.700 0.017 0.000 1.045 115 T CA -0.832 61.270 62.100 0.003 0.000 1.071 115 T CB 1.204 70.076 68.868 0.006 0.000 0.985 115 T HN 0.314 nan 8.240 nan 0.000 0.537 116 V N 0.840 120.764 119.914 0.015 0.000 2.490 116 V HA -0.126 39.210 4.120 58.693 0.000 0.250 116 V C 2.621 178.733 176.094 0.029 0.000 1.061 116 V CA 2.412 64.726 62.300 0.024 0.000 1.064 116 V CB -0.887 30.944 31.823 0.013 0.000 0.670 116 V HN 1.067 nan 8.190 nan 0.000 0.461 117 E N -0.692 119.521 120.200 0.022 0.000 2.085 117 E HA -0.233 39.333 4.350 58.693 0.000 0.194 117 E C 2.156 178.777 176.600 0.035 0.000 0.994 117 E CA 1.977 58.391 56.400 0.023 0.000 0.801 117 E CB -0.192 29.518 29.700 0.016 0.000 0.743 117 E HN 0.660 nan 8.360 nan 0.000 0.453 118 T N 0.856 115.435 114.554 0.042 0.000 2.777 118 T HA -0.154 39.412 4.350 58.693 0.000 0.266 118 T C 1.826 176.589 174.700 0.106 0.000 1.040 118 T CA 1.333 63.469 62.100 0.061 0.000 1.141 118 T CB -0.126 68.772 68.868 0.049 0.000 0.868 118 T HN 0.266 nan 8.240 nan 0.000 0.444 119 Q N 0.238 120.112 119.800 0.122 0.000 2.050 119 Q HA -0.079 39.477 4.340 58.693 0.000 0.202 119 Q C 2.574 178.633 176.000 0.099 0.000 0.980 119 Q CA 1.231 57.151 55.803 0.196 0.000 0.840 119 Q CB -0.455 28.396 28.738 0.187 0.000 0.898 119 Q HN 0.331 nan 8.270 nan 0.000 0.424 120 V N 1.236 121.183 119.914 0.056 0.000 2.252 120 V HA -0.343 38.993 4.120 58.693 0.000 0.249 120 V C 2.337 178.448 176.094 0.028 0.000 1.056 120 V CA 2.030 64.346 62.300 0.026 0.000 1.022 120 V CB -1.158 30.674 31.823 0.016 0.000 0.641 120 V HN 0.453 nan 8.190 nan 0.000 0.445 121 A N -0.606 122.237 122.820 0.038 0.000 1.908 121 A HA -0.283 39.253 4.320 58.693 0.000 0.218 121 A C 2.178 179.788 177.584 0.043 0.000 1.181 121 A CA 2.221 54.279 52.037 0.035 0.000 0.627 121 A CB -0.502 18.519 19.000 0.036 0.000 0.818 121 A HN 0.677 nan 8.150 nan 0.000 0.445 122 E N -0.447 119.800 120.200 0.077 0.000 2.028 122 E HA -0.080 39.486 4.350 58.693 0.000 0.190 122 E C 2.048 178.680 176.600 0.053 0.000 0.984 122 E CA 1.143 57.602 56.400 0.097 0.000 0.800 122 E CB -0.261 29.565 29.700 0.211 0.000 0.758 122 E HN 0.605 nan 8.360 nan 0.000 0.448 123 L N 0.800 122.025 121.223 0.003 0.000 2.072 123 L HA -0.141 39.415 4.340 58.693 0.000 0.205 123 L C 2.320 179.188 176.870 -0.002 0.000 1.079 123 L CA 0.505 55.320 54.840 -0.041 0.000 0.752 123 L CB -0.195 41.785 42.059 -0.132 0.000 0.906 123 L HN 0.191 nan 8.230 nan 0.000 0.436 124 I N -0.215 120.352 120.570 -0.005 0.000 2.406 124 I HA -0.053 39.333 4.170 58.693 0.000 0.249 124 I C 2.612 178.729 176.117 -0.000 0.000 1.122 124 I CA 1.306 62.600 61.300 -0.010 0.000 1.431 124 I CB -1.909 36.082 38.000 -0.016 0.000 1.087 124 I HN 0.186 nan 8.210 nan 0.000 0.424 125 G N 1.436 110.242 108.800 0.010 0.000 2.433 125 G HA2 -0.272 38.904 3.960 58.693 0.000 0.216 125 G HA3 -0.272 38.904 3.960 58.693 0.000 0.216 125 G C 1.750 176.658 174.900 0.013 0.000 1.186 125 G CA 1.817 46.925 45.100 0.013 0.000 0.779 125 G HN 0.457 nan 8.290 nan 0.000 0.543 126 T N -0.884 113.683 114.554 0.021 0.000 2.777 126 T HA -0.075 39.491 4.350 58.693 0.000 0.266 126 T C 2.058 176.773 174.700 0.026 0.000 1.040 126 T CA 1.372 63.487 62.100 0.026 0.000 1.141 126 T CB -0.272 68.632 68.868 0.059 0.000 0.868 126 T HN 0.190 nan 8.240 nan 0.000 0.444 127 N N 1.270 119.985 118.700 0.026 0.000 2.416 127 N HA 0.270 40.227 4.740 58.693 0.000 0.177 127 N C 1.612 177.114 175.510 -0.013 0.000 1.036 127 N CA 1.093 54.146 53.050 0.005 0.000 0.901 127 N CB 0.215 38.690 38.487 -0.020 0.000 0.976 127 N HN 0.669 nan 8.380 nan 0.000 0.444 128 A N -0.131 122.688 122.820 -0.002 0.000 1.786 128 A HA 0.289 39.825 4.320 58.693 0.000 0.208 128 A C 1.860 179.473 177.584 0.048 0.000 1.787 128 A CA -0.190 51.849 52.037 0.005 0.000 1.125 128 A CB -0.154 18.831 19.000 -0.024 0.000 1.082 128 A HN -0.002 nan 8.150 nan 0.000 0.534 129 I N 0.919 121.515 120.570 0.043 0.000 2.202 129 I HA -0.147 39.239 4.170 58.693 0.000 0.242 129 I C 2.905 179.109 176.117 0.145 0.000 1.091 129 I CA 1.259 62.619 61.300 0.100 0.000 1.368 129 I CB -0.293 37.741 38.000 0.057 0.000 1.058 129 I HN 0.335 nan 8.210 nan 0.000 0.410 130 A N 1.307 124.164 122.820 0.061 0.000 1.883 130 A HA -0.127 39.409 4.320 58.693 0.000 0.217 130 A C 0.141 177.730 177.584 0.009 0.000 1.186 130 A CA 1.874 53.921 52.037 0.017 0.000 0.624 130 A CB -2.020 16.961 19.000 -0.033 0.000 0.822 130 A HN 0.254 nan 8.150 nan 0.000 0.444 131 P HA -0.205 nan 4.420 nan 0.000 0.216 131 P C 1.493 178.816 177.300 0.039 0.000 1.154 131 P CA 1.416 64.519 63.100 0.006 0.000 0.865 131 P CB -0.180 31.526 31.700 0.010 0.000 0.789 132 F N 0.015 119.939 119.950 -0.042 0.000 2.134 132 F HA -0.144 39.598 4.527 58.691 0.000 0.299 132 F C 1.884 177.669 175.800 -0.025 0.000 1.097 132 F CA 1.476 59.456 58.000 -0.033 0.000 1.264 132 F CB -0.962 38.022 39.000 -0.027 0.000 1.001 132 F HN -0.248 nan 8.300 nan 0.000 0.479 133 L N -0.182 120.934 121.223 -0.177 0.000 2.109 133 L HA -0.177 39.379 4.340 58.693 0.000 0.207 133 L C 2.473 179.225 176.870 -0.197 0.000 1.086 133 L CA 0.949 55.627 54.840 -0.271 0.000 0.760 133 L CB -0.729 41.294 42.059 -0.060 0.000 0.910 133 L HN 0.218 nan 8.230 nan 0.000 0.437 134 L N -0.831 120.323 121.223 -0.114 0.000 2.083 134 L HA -0.188 39.368 4.340 58.693 0.000 0.209 134 L C 2.612 179.453 176.870 -0.049 0.000 1.083 134 L CA 1.365 56.165 54.840 -0.067 0.000 0.752 134 L CB -0.777 41.243 42.059 -0.065 0.000 0.899 134 L HN 0.241 nan 8.230 nan 0.000 0.433 135 T N -0.391 114.097 114.554 -0.111 0.000 2.746 135 T HA -0.200 39.366 4.350 58.693 0.000 0.267 135 T C 1.939 176.581 174.700 -0.096 0.000 1.039 135 T CA 1.449 63.490 62.100 -0.097 0.000 1.142 135 T CB -0.164 68.636 68.868 -0.112 0.000 0.866 135 T HN 0.225 nan 8.240 nan 0.000 0.444 136 M N 1.002 120.450 119.600 -0.252 0.000 2.080 136 M HA -0.106 39.590 4.480 58.693 0.000 0.260 136 M C 2.702 178.924 176.300 -0.130 0.000 1.068 136 M CA 1.431 56.580 55.300 -0.251 0.000 1.109 136 M CB -0.535 31.829 32.600 -0.393 0.000 1.342 136 M HN 0.149 nan 8.290 nan 0.000 0.405 137 S N 0.334 115.979 115.700 -0.090 0.000 2.368 137 S HA -0.127 39.559 4.470 58.693 0.000 0.224 137 S C 1.635 176.255 174.600 0.034 0.000 1.029 137 S CA 1.183 59.361 58.200 -0.037 0.000 0.988 137 S CB -0.512 62.675 63.200 -0.021 0.000 0.838 137 S HN 0.422 nan 8.310 nan 0.000 0.462 138 F N 2.556 122.479 119.950 -0.046 0.000 2.095 138 F HA -0.205 39.541 4.527 58.698 0.000 0.298 138 F C 2.316 178.107 175.800 -0.015 0.000 1.104 138 F CA 1.387 59.394 58.000 0.012 0.000 1.232 138 F CB -0.579 38.414 39.000 -0.012 0.000 0.987 138 F HN 0.187 nan 8.300 nan 0.000 0.475 139 A N -0.234 122.654 122.820 0.112 0.000 1.897 139 A HA -0.156 39.380 4.320 58.693 0.000 0.215 139 A C 2.151 179.616 177.584 -0.198 0.000 1.181 139 A CA 1.295 53.287 52.037 -0.075 0.000 0.620 139 A CB -0.768 18.159 19.000 -0.121 0.000 0.821 139 A HN 0.494 nan 8.150 nan 0.000 0.443 140 Q N -0.402 119.301 119.800 -0.161 0.000 2.096 140 Q HA -0.153 39.403 4.340 58.693 0.000 0.204 140 Q C 2.130 178.026 176.000 -0.173 0.000 0.982 140 Q CA 1.149 56.855 55.803 -0.160 0.000 0.850 140 Q CB -0.321 28.338 28.738 -0.132 0.000 0.901 140 Q HN 0.464 nan 8.270 nan 0.000 0.422 141 R N 0.453 120.834 120.500 -0.199 0.000 2.189 141 R HA -0.017 39.539 4.340 58.693 0.000 0.223 141 R C 0.993 177.151 176.300 -0.236 0.000 1.092 141 R CA 0.461 56.378 56.100 -0.304 0.000 0.989 141 R CB -0.057 30.005 30.300 -0.397 0.000 0.876 141 R HN 0.342 nan 8.270 nan 0.000 0.457 153 N N 2.758 121.491 118.700 0.054 0.000 2.790 153 N HA 0.390 40.346 4.740 58.693 0.000 0.256 153 N C -1.227 174.349 175.510 0.110 0.000 1.409 153 N CA -0.429 52.662 53.050 0.067 0.000 0.799 153 N CB 0.214 38.731 38.487 0.050 0.000 1.170 153 N HN 0.716 nan 8.380 nan 0.000 0.507 154 L N 1.267 122.570 121.223 0.134 0.000 2.305 154 L HA 0.564 40.120 4.340 58.693 0.000 0.281 154 L C 0.485 177.455 176.870 0.166 0.000 1.085 154 L CA -0.398 54.579 54.840 0.229 0.000 0.813 154 L CB 1.035 43.264 42.059 0.284 0.000 1.157 154 L HN 0.518 nan 8.230 nan 0.000 0.436 155 S N 3.350 119.117 115.700 0.113 0.000 2.587 155 S HA 0.715 40.401 4.470 58.693 0.000 0.269 155 S C -1.110 173.326 174.600 -0.273 0.000 1.154 155 S CA -0.900 57.265 58.200 -0.059 0.000 0.824 155 S CB 1.593 64.761 63.200 -0.054 0.000 1.118 155 S HN 0.418 nan 8.310 nan 0.000 0.462 156 I N 1.475 121.872 120.570 -0.289 0.000 2.509 156 I HA 0.612 39.998 4.170 58.693 0.000 0.293 156 I C -1.165 174.833 176.117 -0.199 0.000 1.020 156 I CA -1.114 59.981 61.300 -0.342 0.000 1.088 156 I CB 2.217 39.993 38.000 -0.372 0.000 1.267 156 I HN 0.525 nan 8.210 nan 0.000 0.430 157 V N 5.147 124.956 119.914 -0.175 0.000 2.487 157 V HA 0.401 39.737 4.120 58.693 0.000 0.298 157 V C -0.469 175.565 176.094 -0.101 0.000 1.028 157 V CA -0.813 61.417 62.300 -0.117 0.000 0.860 157 V CB 1.772 33.536 31.823 -0.098 0.000 0.991 157 V HN 0.618 nan 8.190 nan 0.000 0.427 158 N N 4.342 122.994 118.700 -0.079 0.000 2.419 158 N HA 0.405 40.361 4.740 58.693 0.000 0.277 158 N C -0.761 174.719 175.510 -0.049 0.000 1.006 158 N CA -0.580 52.432 53.050 -0.063 0.000 0.923 158 N CB 2.032 40.485 38.487 -0.057 0.000 1.140 158 N HN 0.430 nan 8.380 nan 0.000 0.488 159 L N 2.689 123.887 121.223 -0.041 0.000 2.385 159 L HA 0.194 39.750 4.340 58.693 0.000 0.281 159 L C 0.734 177.584 176.870 -0.034 0.000 1.106 159 L CA 0.040 54.860 54.840 -0.032 0.000 0.856 159 L CB -0.462 41.584 42.059 -0.023 0.000 1.186 159 L HN 0.561 nan 8.230 nan 0.000 0.453 160 C N 2.511 121.785 119.300 -0.042 0.000 2.050 160 C HA 0.537 40.213 4.460 58.693 0.000 0.222 160 C C 0.443 175.404 174.990 -0.048 0.000 2.975 160 C CA -0.444 58.539 59.018 -0.059 0.000 1.922 160 C CB 1.496 29.194 27.740 -0.070 0.000 2.650 160 C HN 0.790 nan 8.230 nan 0.000 0.318 161 D N -1.313 119.050 120.400 -0.062 0.000 2.688 161 D HA 0.352 40.208 4.640 58.693 0.000 0.210 161 D C 0.110 176.381 176.300 -0.048 0.000 1.333 161 D CA -0.071 53.907 54.000 -0.037 0.000 0.920 161 D CB 1.407 42.211 40.800 0.007 0.000 1.554 161 D HN 0.527 nan 8.370 nan 0.000 0.579 162 A N 3.839 126.640 122.820 -0.032 0.000 2.125 162 A HA -0.089 39.447 4.320 58.693 0.000 0.219 162 A C 1.569 179.150 177.584 -0.005 0.000 1.156 162 A CA 0.919 52.943 52.037 -0.022 0.000 0.671 162 A CB -0.187 18.806 19.000 -0.011 0.000 0.794 162 A HN 0.566 nan 8.150 nan 0.000 0.459 163 M N 0.398 120.004 119.600 0.010 0.000 2.453 163 M HA 0.054 39.751 4.480 58.693 0.000 0.239 163 M C 1.722 178.055 176.300 0.054 0.000 1.151 163 M CA 0.331 55.658 55.300 0.045 0.000 0.989 163 M CB -0.623 32.016 32.600 0.066 0.000 1.548 163 M HN 0.396 nan 8.290 nan 0.000 0.479 164 V N -1.609 118.302 119.914 -0.006 0.000 2.568 164 V HA -0.175 39.161 4.120 58.693 0.000 0.253 164 V C 1.193 177.364 176.094 0.128 0.000 1.072 164 V CA 1.804 64.087 62.300 -0.028 0.000 1.084 164 V CB -0.679 30.916 31.823 -0.380 0.000 0.676 164 V HN 0.272 nan 8.190 nan 0.000 0.469 165 D N -0.101 120.354 120.400 0.092 0.000 2.349 165 D HA 0.127 39.983 4.640 58.693 0.000 0.214 165 D C 0.728 177.095 176.300 0.111 0.000 1.063 165 D CA 0.410 54.491 54.000 0.134 0.000 0.847 165 D CB 0.363 41.220 40.800 0.094 0.000 0.933 165 D HN 0.645 nan 8.370 nan 0.000 0.513 166 Q N 1.118 120.983 119.800 0.107 0.000 3.075 166 Q HA 0.219 39.776 4.340 58.693 0.000 0.318 166 Q C -2.457 173.620 176.000 0.128 0.000 0.907 166 Q CA -1.280 54.587 55.803 0.107 0.000 0.882 166 Q CB 2.118 30.913 28.738 0.095 0.000 1.386 166 Q HN 0.066 nan 8.270 nan 0.000 0.408 167 P HA 0.082 nan 4.420 nan 0.000 0.274 167 P C -0.213 177.181 177.300 0.157 0.000 1.237 167 P CA -0.403 62.795 63.100 0.164 0.000 0.793 167 P CB 0.959 32.775 31.700 0.193 0.000 0.977 168 C N 2.190 121.558 119.300 0.113 0.000 2.642 168 C HA 0.133 39.809 4.460 58.693 0.000 0.420 168 C C 1.287 176.428 174.990 0.251 0.000 1.349 168 C CA -0.209 58.867 59.018 0.096 0.000 1.821 168 C CB -1.217 26.358 27.740 -0.276 0.000 2.637 168 C HN 0.613 nan 8.230 nan 0.000 0.605 169 M N 4.107 123.858 119.600 0.252 0.000 2.248 169 M HA 0.323 40.019 4.480 58.693 0.000 0.343 169 M C 0.990 177.490 176.300 0.335 0.000 1.243 169 M CA 1.469 56.915 55.300 0.242 0.000 1.025 169 M CB -0.286 32.423 32.600 0.181 0.000 1.759 169 M HN 1.188 nan 8.290 nan 0.000 0.452 170 A N 3.868 126.815 122.820 0.212 0.000 2.952 170 A HA -0.213 39.323 4.320 58.693 0.000 0.252 170 A C 0.217 177.788 177.584 -0.021 0.000 1.323 170 A CA 1.270 53.356 52.037 0.082 0.000 0.957 170 A CB -2.704 16.298 19.000 0.004 0.000 1.130 170 A HN 0.804 nan 8.150 nan 0.000 0.799 171 F N 0.862 120.835 119.950 0.038 0.000 2.923 171 F HA 0.245 39.989 4.527 58.695 0.000 0.314 171 F C 1.852 177.713 175.800 0.101 0.000 1.196 171 F CA 0.553 58.583 58.000 0.050 0.000 1.320 171 F CB 0.222 39.271 39.000 0.081 0.000 0.953 171 F HN 0.408 nan 8.300 nan 0.000 0.505 172 S N -0.501 115.290 115.700 0.153 0.000 2.356 172 S HA -0.208 39.478 4.470 58.693 0.000 0.223 172 S C 1.999 176.646 174.600 0.078 0.000 1.032 172 S CA 1.140 59.403 58.200 0.106 0.000 1.005 172 S CB -0.577 62.654 63.200 0.051 0.000 0.867 172 S HN 0.482 nan 8.310 nan 0.000 0.449 173 L N -0.218 121.032 121.223 0.045 0.000 2.046 173 L HA -0.066 39.490 4.340 58.693 0.000 0.208 173 L C 2.683 179.579 176.870 0.043 0.000 1.077 173 L CA 1.910 56.760 54.840 0.018 0.000 0.747 173 L CB -0.719 41.330 42.059 -0.017 0.000 0.896 173 L HN 0.369 nan 8.230 nan 0.000 0.432 174 Y N 0.876 121.172 120.300 -0.008 0.000 2.128 174 Y HA -0.338 39.427 4.550 58.692 0.000 0.284 174 Y C 2.501 178.475 175.900 0.124 0.000 1.154 174 Y CA 2.090 60.230 58.100 0.067 0.000 1.149 174 Y CB -0.514 38.067 38.460 0.202 0.000 0.976 174 Y HN 0.217 nan 8.280 nan 0.000 0.505 175 N N -0.198 118.524 118.700 0.036 0.000 2.120 175 N HA -0.206 39.750 4.740 58.693 0.000 0.188 175 N C 1.851 177.376 175.510 0.025 0.000 1.024 175 N CA 1.696 54.743 53.050 -0.005 0.000 0.852 175 N CB -0.178 38.420 38.487 0.186 0.000 1.003 175 N HN 0.465 nan 8.380 nan 0.000 0.424 176 M N 0.192 119.793 119.600 0.002 0.000 2.108 176 M HA -0.099 39.597 4.480 58.693 0.000 0.261 176 M C 2.344 178.629 176.300 -0.026 0.000 1.066 176 M CA 1.758 57.050 55.300 -0.014 0.000 1.107 176 M CB -0.566 32.017 32.600 -0.030 0.000 1.356 176 M HN 0.201 nan 8.290 nan 0.000 0.406 177 G N 0.472 109.222 108.800 -0.084 0.000 2.446 177 G HA2 -0.205 38.971 3.960 58.693 0.000 0.217 177 G HA3 -0.205 38.971 3.960 58.693 0.000 0.217 177 G C 1.669 176.486 174.900 -0.138 0.000 1.168 177 G CA 0.814 45.851 45.100 -0.104 0.000 0.771 177 G HN 0.237 nan 8.290 nan 0.000 0.551 178 K N 0.130 120.372 120.400 -0.263 0.000 2.097 178 K HA -0.025 39.511 4.320 58.693 0.000 0.205 178 K C 2.083 178.587 176.600 -0.159 0.000 1.050 178 K CA 0.738 56.871 56.287 -0.256 0.000 0.938 178 K CB -0.569 31.682 32.500 -0.414 0.000 0.718 178 K HN 0.451 nan 8.250 nan 0.000 0.442 179 H N 0.300 119.290 119.070 -0.134 0.000 2.357 179 H HA -0.017 39.758 4.556 58.697 0.000 0.301 179 H C 1.918 177.204 175.328 -0.069 0.000 1.082 179 H CA 1.428 57.427 56.048 -0.081 0.000 1.342 179 H CB 0.188 29.911 29.762 -0.064 0.000 1.389 179 H HN 0.184 nan 8.280 nan 0.000 0.511 180 A N 1.117 123.966 122.820 0.047 0.000 1.940 180 A HA -0.152 39.384 4.320 58.693 0.000 0.219 180 A C 2.449 180.022 177.584 -0.019 0.000 1.176 180 A CA 1.191 53.225 52.037 -0.004 0.000 0.631 180 A CB -0.704 18.278 19.000 -0.031 0.000 0.814 180 A HN 0.276 nan 8.150 nan 0.000 0.446 181 L N -0.116 121.086 121.223 -0.036 0.000 2.083 181 L HA -0.103 39.453 4.340 58.693 0.000 0.209 181 L C 2.414 179.261 176.870 -0.039 0.000 1.083 181 L CA 1.676 56.494 54.840 -0.037 0.000 0.752 181 L CB -0.536 41.489 42.059 -0.058 0.000 0.899 181 L HN 0.172 nan 8.230 nan 0.000 0.433 182 V N -0.116 119.765 119.914 -0.055 0.000 2.255 182 V HA -0.247 39.089 4.120 58.693 0.000 0.247 182 V C 2.623 178.705 176.094 -0.020 0.000 1.051 182 V CA 1.868 64.137 62.300 -0.051 0.000 1.018 182 V CB -1.645 30.129 31.823 -0.082 0.000 0.641 182 V HN 0.609 nan 8.190 nan 0.000 0.445 183 G N -0.119 108.678 108.800 -0.006 0.000 2.476 183 G HA2 -0.302 38.874 3.960 58.693 0.000 0.218 183 G HA3 -0.302 38.874 3.960 58.693 0.000 0.218 183 G C 1.593 176.496 174.900 0.005 0.000 1.164 183 G CA 1.347 46.448 45.100 0.001 0.000 0.768 183 G HN 0.439 nan 8.290 nan 0.000 0.560 184 L N 1.026 122.254 121.223 0.008 0.000 2.012 184 L HA -0.053 39.503 4.340 58.693 0.000 0.210 184 L C 2.960 179.844 176.870 0.023 0.000 1.073 184 L CA 2.795 57.657 54.840 0.037 0.000 0.748 184 L CB -1.132 40.961 42.059 0.057 0.000 0.891 184 L HN 0.225 nan 8.230 nan 0.000 0.431 185 T N -0.558 113.995 114.554 -0.001 0.000 2.665 185 T HA -0.278 39.288 4.350 58.693 0.000 0.268 185 T C 1.816 176.511 174.700 -0.008 0.000 1.035 185 T CA 2.097 64.188 62.100 -0.015 0.000 1.151 185 T CB -0.283 68.569 68.868 -0.028 0.000 0.862 185 T HN 0.514 nan 8.240 nan 0.000 0.438 186 Q N 0.411 120.209 119.800 -0.003 0.000 2.016 186 Q HA -0.023 39.533 4.340 58.693 0.000 0.200 186 Q C 2.863 178.869 176.000 0.010 0.000 0.978 186 Q CA 1.362 57.165 55.803 0.000 0.000 0.833 186 Q CB -0.215 28.523 28.738 0.001 0.000 0.895 186 Q HN 0.368 nan 8.270 nan 0.000 0.427 187 S N 0.734 116.446 115.700 0.020 0.000 2.359 187 S HA -0.188 39.498 4.470 58.693 0.000 0.224 187 S C 2.031 176.657 174.600 0.043 0.000 1.035 187 S CA 1.201 59.421 58.200 0.034 0.000 1.018 187 S CB -0.297 62.930 63.200 0.044 0.000 0.876 187 S HN 0.499 nan 8.310 nan 0.000 0.448 188 A N 1.265 124.111 122.820 0.043 0.000 1.929 188 A HA 0.228 39.764 4.320 58.693 0.000 0.216 188 A C 2.324 179.923 177.584 0.025 0.000 1.176 188 A CA 1.531 53.590 52.037 0.037 0.000 0.628 188 A CB -1.001 18.013 19.000 0.023 0.000 0.816 188 A HN 0.499 nan 8.150 nan 0.000 0.444 189 A N -0.120 122.706 122.820 0.009 0.000 1.883 189 A HA -0.114 39.422 4.320 58.693 0.000 0.217 189 A C 2.164 179.755 177.584 0.012 0.000 1.186 189 A CA 1.819 53.856 52.037 -0.000 0.000 0.624 189 A CB -0.739 18.250 19.000 -0.018 0.000 0.822 189 A HN 0.725 nan 8.150 nan 0.000 0.444 190 L N -0.280 120.953 121.223 0.016 0.000 2.012 190 L HA -0.171 39.385 4.340 58.693 0.000 0.210 190 L C 2.352 179.250 176.870 0.047 0.000 1.073 190 L CA 2.776 57.628 54.840 0.021 0.000 0.748 190 L CB -0.432 41.639 42.059 0.020 0.000 0.891 190 L HN 0.604 nan 8.230 nan 0.000 0.431 191 E N -0.956 119.283 120.200 0.066 0.000 2.158 191 E HA -0.117 39.449 4.350 58.693 0.000 0.191 191 E C 2.008 178.714 176.600 0.177 0.000 0.982 191 E CA 0.759 57.221 56.400 0.103 0.000 0.823 191 E CB -0.024 29.730 29.700 0.091 0.000 0.766 191 E HN 0.587 nan 8.360 nan 0.000 0.468 192 L N -0.024 121.288 121.223 0.150 0.000 2.567 192 L HA 0.225 39.781 4.340 58.693 0.000 0.225 192 L C 2.340 179.350 176.870 0.233 0.000 1.119 192 L CA 0.266 55.243 54.840 0.229 0.000 0.871 192 L CB -0.030 42.092 42.059 0.105 0.000 1.036 192 L HN 0.133 nan 8.230 nan 0.000 0.459 193 A N 1.519 124.412 122.820 0.122 0.000 1.917 193 A HA -0.145 39.391 4.320 58.693 0.000 0.219 193 A C -0.028 177.586 177.584 0.050 0.000 1.182 193 A CA 1.705 53.778 52.037 0.060 0.000 0.633 193 A CB -1.660 17.342 19.000 0.003 0.000 0.819 193 A HN 0.287 nan 8.150 nan 0.000 0.448 194 P HA -0.125 nan 4.420 nan 0.000 0.220 194 P C 0.420 177.601 177.300 -0.198 0.000 1.148 194 P CA 0.982 64.006 63.100 -0.127 0.000 0.803 194 P CB -0.173 31.380 31.700 -0.245 0.000 0.782 195 Y N -1.586 118.725 120.300 0.019 0.000 2.490 195 Y HA 0.323 40.088 4.550 58.691 0.000 0.281 195 Y C 1.858 177.778 175.900 0.034 0.000 1.174 195 Y CA 0.468 58.583 58.100 0.025 0.000 1.295 195 Y CB -0.642 37.838 38.460 0.034 0.000 1.062 195 Y HN -0.032 nan 8.280 nan 0.000 0.522 196 G N 1.093 109.979 108.800 0.143 0.000 2.153 196 G HA2 -0.317 38.859 3.960 58.693 0.000 0.252 196 G HA3 -0.317 38.859 3.960 58.693 0.000 0.252 196 G C -0.031 174.945 174.900 0.125 0.000 0.994 196 G CA 0.122 45.283 45.100 0.102 0.000 0.698 196 G HN 0.365 nan 8.290 nan 0.000 0.521 197 I N 0.989 121.658 120.570 0.163 0.000 2.304 197 I HA 0.366 39.752 4.170 58.693 0.000 0.291 197 I C 1.021 177.184 176.117 0.077 0.000 1.018 197 I CA -0.691 60.705 61.300 0.160 0.000 1.260 197 I CB 0.803 38.944 38.000 0.235 0.000 1.390 197 I HN 0.042 nan 8.210 nan 0.000 0.475 198 R N 4.857 125.377 120.500 0.032 0.000 2.500 198 R HA 0.706 40.262 4.340 58.693 0.000 0.275 198 R C -1.040 175.231 176.300 -0.048 0.000 1.051 198 R CA -0.710 55.379 56.100 -0.018 0.000 1.088 198 R CB 1.665 31.941 30.300 -0.039 0.000 1.063 198 R HN 0.337 nan 8.270 nan 0.000 0.511 199 V N 2.895 122.776 119.914 -0.055 0.000 2.567 199 V HA 0.358 39.694 4.120 58.693 0.000 0.298 199 V C -0.681 175.377 176.094 -0.060 0.000 1.047 199 V CA -0.918 61.340 62.300 -0.070 0.000 0.880 199 V CB 1.534 33.325 31.823 -0.054 0.000 1.009 199 V HN 0.803 nan 8.190 nan 0.000 0.429 200 N N 2.011 120.669 118.700 -0.069 0.000 2.697 200 N HA 0.773 40.729 4.740 58.693 0.000 0.272 200 N C -0.369 175.112 175.510 -0.048 0.000 1.381 200 N CA -0.380 52.640 53.050 -0.050 0.000 0.797 200 N CB 2.883 41.341 38.487 -0.048 0.000 1.523 200 N HN 0.810 nan 8.380 nan 0.000 0.518 201 G N -0.523 108.259 108.800 -0.031 0.000 2.563 201 G HA2 0.602 39.778 3.960 58.693 0.000 0.302 201 G HA3 0.602 39.778 3.960 58.693 0.000 0.302 201 G C -1.365 173.526 174.900 -0.015 0.000 1.301 201 G CA -0.322 44.759 45.100 -0.032 0.000 0.965 201 G HN 0.246 nan 8.290 nan 0.000 0.480 202 V N 0.493 120.396 119.914 -0.019 0.000 2.487 202 V HA 0.698 40.034 4.120 58.693 0.000 0.298 202 V C 0.136 176.217 176.094 -0.022 0.000 1.028 202 V CA -0.724 61.570 62.300 -0.009 0.000 0.860 202 V CB 1.590 33.410 31.823 -0.004 0.000 0.991 202 V HN 1.138 nan 8.190 nan 0.000 0.427 203 A N 7.293 130.101 122.820 -0.021 0.000 2.394 203 A HA 0.809 40.345 4.320 58.693 0.000 0.333 203 A C -2.742 174.825 177.584 -0.028 0.000 1.397 203 A CA -1.642 50.377 52.037 -0.030 0.000 0.884 203 A CB 0.499 19.479 19.000 -0.034 0.000 1.147 203 A HN 0.600 nan 8.150 nan 0.000 0.505 204 P HA 0.254 nan 4.420 nan 0.000 0.272 204 P C 0.981 178.254 177.300 -0.044 0.000 1.223 204 P CA 0.259 63.333 63.100 -0.043 0.000 0.784 204 P CB 1.279 32.940 31.700 -0.063 0.000 0.923 205 G N 0.964 109.742 108.800 -0.037 0.000 2.549 205 G HA2 0.248 39.425 3.960 58.693 0.000 0.219 205 G HA3 0.248 39.425 3.960 58.693 0.000 0.219 205 G C -0.256 174.603 174.900 -0.068 0.000 1.677 205 G CA 0.101 45.184 45.100 -0.028 0.000 0.929 205 G HN 0.533 nan 8.290 nan 0.000 0.549 206 V N -0.800 119.087 119.914 -0.046 0.000 2.347 206 V HA 0.738 40.074 4.120 58.693 0.000 0.280 206 V C 0.026 176.077 176.094 -0.072 0.000 1.021 206 V CA -0.003 62.244 62.300 -0.090 0.000 0.847 206 V CB 0.823 32.620 31.823 -0.043 0.000 0.990 206 V HN 0.488 nan 8.190 nan 0.000 0.444 207 S N 4.796 120.433 115.700 -0.106 0.000 4.225 207 S HA 0.598 40.284 4.470 58.693 0.000 0.215 207 S C 0.166 174.713 174.600 -0.089 0.000 1.051 207 S CA -0.844 57.308 58.200 -0.079 0.000 1.729 207 S CB 0.449 63.604 63.200 -0.075 0.000 0.892 207 S HN 0.826 nan 8.310 nan 0.000 0.720 208 L N 3.278 124.451 121.223 -0.083 0.000 2.660 208 L HA 0.073 39.630 4.340 58.693 0.000 0.272 208 L C -0.453 176.355 176.870 -0.103 0.000 1.194 208 L CA -0.541 54.255 54.840 -0.074 0.000 0.945 208 L CB -0.347 41.677 42.059 -0.059 0.000 1.212 208 L HN 0.419 nan 8.230 nan 0.000 0.490 209 L N 5.899 127.072 121.223 -0.083 0.000 2.464 209 L HA 0.291 39.847 4.340 58.693 0.000 0.264 209 L C -1.638 175.191 176.870 -0.069 0.000 1.199 209 L CA -1.857 52.925 54.840 -0.097 0.000 0.818 209 L CB -0.720 41.302 42.059 -0.063 0.000 1.102 209 L HN 0.370 nan 8.230 nan 0.000 0.473 210 P HA 0.024 nan 4.420 nan 0.000 0.268 210 P C 1.034 178.337 177.300 0.005 0.000 1.205 210 P CA -0.249 62.849 63.100 -0.004 0.000 0.771 210 P CB 0.450 32.174 31.700 0.040 0.000 0.858 211 V N 1.024 120.947 119.914 0.015 0.000 2.490 211 V HA -0.191 39.145 4.120 58.693 0.000 0.250 211 V C 1.682 177.787 176.094 0.017 0.000 1.061 211 V CA 2.013 64.321 62.300 0.013 0.000 1.064 211 V CB -1.775 30.055 31.823 0.013 0.000 0.670 211 V HN 0.506 nan 8.190 nan 0.000 0.461 212 A N -0.466 122.369 122.820 0.026 0.000 2.218 212 A HA 0.351 39.887 4.320 58.693 0.000 0.209 212 A C 1.421 179.024 177.584 0.030 0.000 1.168 212 A CA 0.412 52.465 52.037 0.027 0.000 0.804 212 A CB -0.395 18.623 19.000 0.030 0.000 0.834 212 A HN 0.629 nan 8.150 nan 0.000 0.482 213 M N 1.311 120.929 119.600 0.031 0.000 2.238 213 M HA 0.324 40.020 4.480 58.693 0.000 0.350 213 M C 0.718 177.041 176.300 0.037 0.000 1.321 213 M CA -0.043 55.279 55.300 0.036 0.000 1.097 213 M CB 0.449 33.064 32.600 0.025 0.000 1.713 213 M HN 0.308 nan 8.290 nan 0.000 0.455 214 G N 2.868 111.696 108.800 0.045 0.000 2.594 214 G HA2 0.033 39.209 3.960 58.693 0.000 0.243 214 G HA3 0.033 39.209 3.960 58.693 0.000 0.243 214 G C 0.357 175.286 174.900 0.048 0.000 1.229 214 G CA -0.410 44.715 45.100 0.042 0.000 0.843 214 G HN 0.932 nan 8.290 nan 0.000 0.578 215 E N 0.326 120.549 120.200 0.039 0.000 2.085 215 E HA -0.149 39.417 4.350 58.693 0.000 0.194 215 E C 2.197 178.828 176.600 0.050 0.000 0.994 215 E CA 1.776 58.200 56.400 0.040 0.000 0.801 215 E CB -0.057 29.660 29.700 0.029 0.000 0.743 215 E HN 0.726 nan 8.360 nan 0.000 0.453 216 E N -0.092 120.137 120.200 0.048 0.000 2.077 216 E HA -0.232 39.334 4.350 58.693 0.000 0.193 216 E C 2.014 178.659 176.600 0.076 0.000 0.989 216 E CA 1.255 57.685 56.400 0.050 0.000 0.800 216 E CB -0.101 29.623 29.700 0.040 0.000 0.746 216 E HN 0.373 nan 8.360 nan 0.000 0.452 217 E N 0.778 121.037 120.200 0.100 0.000 2.106 217 E HA -0.197 39.369 4.350 58.693 0.000 0.192 217 E C 1.775 178.519 176.600 0.240 0.000 0.984 217 E CA 0.939 57.440 56.400 0.168 0.000 0.806 217 E CB 0.187 29.988 29.700 0.169 0.000 0.750 217 E HN 0.088 nan 8.360 nan 0.000 0.458 218 K N 0.370 120.863 120.400 0.156 0.000 2.057 218 K HA -0.145 39.391 4.320 58.693 0.000 0.207 218 K C 1.792 178.489 176.600 0.161 0.000 1.049 218 K CA 1.494 57.869 56.287 0.146 0.000 0.931 218 K CB -0.033 32.512 32.500 0.074 0.000 0.714 218 K HN 0.118 nan 8.250 nan 0.000 0.440 219 D N 0.721 121.185 120.400 0.108 0.000 2.178 219 D HA -0.126 39.730 4.640 58.693 0.000 0.202 219 D C 1.715 178.053 176.300 0.064 0.000 0.974 219 D CA 0.908 54.953 54.000 0.075 0.000 0.841 219 D CB 0.004 40.831 40.800 0.044 0.000 0.953 219 D HN 0.135 nan 8.370 nan 0.000 0.478 220 K N -0.413 120.025 120.400 0.063 0.000 2.063 220 K HA -0.181 39.355 4.320 58.693 0.000 0.208 220 K C 2.006 178.546 176.600 -0.099 0.000 1.048 220 K CA 1.201 57.468 56.287 -0.033 0.000 0.928 220 K CB -0.140 32.328 32.500 -0.052 0.000 0.713 220 K HN 0.160 nan 8.250 nan 0.000 0.442 221 W N 0.773 122.069 121.300 -0.006 0.000 2.409 221 W HA 0.023 39.898 4.660 58.692 0.000 0.299 221 W C 2.403 178.912 176.519 -0.018 0.000 1.203 221 W CA 0.782 58.119 57.345 -0.013 0.000 1.298 221 W CB -0.084 29.367 29.460 -0.014 0.000 1.127 221 W HN 0.048 nan 8.180 nan 0.000 0.528 222 R N 0.207 120.829 120.500 0.203 0.000 2.096 222 R HA -0.168 39.388 4.340 58.693 0.000 0.240 222 R C 2.095 178.426 176.300 0.052 0.000 1.139 222 R CA 1.682 57.846 56.100 0.106 0.000 0.952 222 R CB -0.545 29.800 30.300 0.074 0.000 0.854 222 R HN 0.130 nan 8.270 nan 0.000 0.436 223 R N 0.627 121.140 120.500 0.021 0.000 2.249 223 R HA -0.121 39.435 4.340 58.693 0.000 0.230 223 R C 1.675 177.953 176.300 -0.036 0.000 1.121 223 R CA 1.158 57.250 56.100 -0.014 0.000 0.997 223 R CB 0.011 30.292 30.300 -0.032 0.000 0.867 223 R HN 0.240 nan 8.270 nan 0.000 0.465 224 K N -0.095 120.280 120.400 -0.041 0.000 2.365 224 K HA 0.067 39.603 4.320 58.693 0.000 0.197 224 K C 0.218 176.802 176.600 -0.027 0.000 1.042 224 K CA 0.247 56.493 56.287 -0.067 0.000 0.987 224 K CB 0.582 33.010 32.500 -0.121 0.000 0.779 224 K HN -0.089 nan 8.250 nan 0.000 0.484 225 V N 3.534 123.453 119.914 0.009 0.000 2.405 225 V HA 0.035 39.371 4.120 58.693 0.000 0.264 225 V C -1.695 174.397 176.094 -0.004 0.000 1.048 225 V CA -1.185 61.124 62.300 0.015 0.000 0.966 225 V CB 0.927 32.770 31.823 0.032 0.000 1.015 225 V HN 0.025 nan 8.190 nan 0.000 0.477 226 P HA -0.127 nan 4.420 nan 0.000 0.215 226 P C 0.622 177.915 177.300 -0.011 0.000 1.157 226 P CA 0.693 63.782 63.100 -0.018 0.000 0.874 226 P CB 0.175 31.863 31.700 -0.021 0.000 0.790 227 L N -0.249 120.970 121.223 -0.007 0.000 2.401 227 L HA 0.407 39.963 4.340 58.693 0.000 0.283 227 L C 1.166 178.033 176.870 -0.004 0.000 1.151 227 L CA 0.561 55.397 54.840 -0.006 0.000 0.942 227 L CB -1.218 40.837 42.059 -0.007 0.000 1.283 227 L HN 0.326 nan 8.230 nan 0.000 0.442 228 G N 2.793 111.591 108.800 -0.004 0.000 2.176 228 G HA2 -0.289 38.887 3.960 58.693 0.000 0.253 228 G HA3 -0.289 38.887 3.960 58.693 0.000 0.253 228 G C 0.610 175.511 174.900 0.002 0.000 0.979 228 G CA -0.013 45.087 45.100 -0.002 0.000 0.641 228 G HN 0.563 nan 8.290 nan 0.000 0.530 229 R N -1.036 119.465 120.500 0.003 0.000 3.416 229 R HA -0.202 39.354 4.340 58.693 0.000 0.263 229 R C 0.762 177.072 176.300 0.017 0.000 1.053 229 R CA 2.060 58.165 56.100 0.008 0.000 0.705 229 R CB -2.370 27.931 30.300 0.002 0.000 1.124 229 R HN 1.321 nan 8.270 nan 0.000 0.444 230 R N -0.888 119.624 120.500 0.020 0.000 2.734 230 R HA 0.382 39.938 4.340 58.693 0.000 0.271 230 R C -0.256 176.057 176.300 0.022 0.000 1.021 230 R CA -1.179 54.935 56.100 0.022 0.000 0.893 230 R CB 1.386 31.693 30.300 0.012 0.000 1.244 230 R HN 0.033 nan 8.270 nan 0.000 0.464 231 E N 1.567 121.778 120.200 0.019 0.000 2.374 231 E HA 0.315 39.881 4.350 58.693 0.000 0.260 231 E C -0.401 176.196 176.600 -0.005 0.000 1.101 231 E CA -0.412 55.991 56.400 0.005 0.000 0.907 231 E CB 0.910 30.605 29.700 -0.008 0.000 1.014 231 E HN 0.648 nan 8.360 nan 0.000 0.427 232 A N 2.281 125.093 122.820 -0.014 0.000 2.520 232 A HA 0.199 39.735 4.320 58.693 0.000 0.245 232 A C 0.637 178.210 177.584 -0.020 0.000 1.072 232 A CA 0.175 52.202 52.037 -0.017 0.000 0.761 232 A CB -0.223 18.763 19.000 -0.023 0.000 1.004 232 A HN 0.725 nan 8.150 nan 0.000 0.499 233 S N 1.990 117.681 115.700 -0.014 0.000 2.589 233 S HA 0.412 40.098 4.470 58.693 0.000 0.265 233 S C 1.290 175.880 174.600 -0.016 0.000 1.342 233 S CA -0.120 58.072 58.200 -0.014 0.000 1.005 233 S CB 1.051 64.246 63.200 -0.008 0.000 0.909 233 S HN 1.600 nan 8.310 nan 0.000 0.555 234 A N 0.593 123.404 122.820 -0.015 0.000 1.930 234 A HA -0.061 39.475 4.320 58.693 0.000 0.217 234 A C 2.133 179.711 177.584 -0.009 0.000 1.175 234 A CA 1.530 53.558 52.037 -0.015 0.000 0.627 234 A CB -1.096 17.896 19.000 -0.014 0.000 0.815 234 A HN 1.012 nan 8.150 nan 0.000 0.443 235 E N -0.261 119.936 120.200 -0.004 0.000 2.110 235 E HA -0.258 39.309 4.350 58.693 0.000 0.193 235 E C 2.116 178.717 176.600 0.001 0.000 0.988 235 E CA 1.352 57.753 56.400 0.001 0.000 0.804 235 E CB -0.142 29.560 29.700 0.004 0.000 0.745 235 E HN 0.768 nan 8.360 nan 0.000 0.458 236 Q N -0.080 119.717 119.800 -0.004 0.000 2.084 236 Q HA -0.178 39.378 4.340 58.693 0.000 0.202 236 Q C 2.207 178.204 176.000 -0.004 0.000 0.978 236 Q CA 1.228 57.028 55.803 -0.005 0.000 0.844 236 Q CB 0.001 28.734 28.738 -0.010 0.000 0.898 236 Q HN 0.366 nan 8.270 nan 0.000 0.426 237 I N 0.685 121.250 120.570 -0.008 0.000 2.142 237 I HA -0.230 39.156 4.170 58.693 0.000 0.240 237 I C 2.380 178.496 176.117 -0.001 0.000 1.078 237 I CA 1.422 62.717 61.300 -0.009 0.000 1.343 237 I CB -1.688 36.300 38.000 -0.019 0.000 1.046 237 I HN 0.128 nan 8.210 nan 0.000 0.405 238 A N 0.585 123.404 122.820 -0.001 0.000 1.940 238 A HA -0.242 39.294 4.320 58.693 0.000 0.219 238 A C 2.013 179.608 177.584 0.018 0.000 1.176 238 A CA 2.017 54.056 52.037 0.003 0.000 0.631 238 A CB -0.698 18.304 19.000 0.003 0.000 0.814 238 A HN 0.383 nan 8.150 nan 0.000 0.446 239 D N -0.029 120.385 120.400 0.024 0.000 2.123 239 D HA -0.115 39.741 4.640 58.693 0.000 0.196 239 D C 2.200 178.545 176.300 0.076 0.000 0.992 239 D CA 1.608 55.633 54.000 0.041 0.000 0.833 239 D CB -0.327 40.486 40.800 0.022 0.000 0.954 239 D HN 0.459 nan 8.370 nan 0.000 0.455 240 A N 0.373 123.231 122.820 0.062 0.000 1.929 240 A HA -0.079 39.458 4.320 58.693 0.000 0.216 240 A C 2.536 180.193 177.584 0.122 0.000 1.176 240 A CA 0.882 52.982 52.037 0.106 0.000 0.628 240 A CB -0.519 18.517 19.000 0.060 0.000 0.816 240 A HN 0.137 nan 8.150 nan 0.000 0.444 241 V N 0.644 120.589 119.914 0.052 0.000 2.295 241 V HA -0.254 39.082 4.120 58.693 0.000 0.246 241 V C 2.423 178.520 176.094 0.005 0.000 1.049 241 V CA 1.739 64.044 62.300 0.008 0.000 1.024 241 V CB -0.687 31.119 31.823 -0.029 0.000 0.648 241 V HN 0.510 nan 8.190 nan 0.000 0.447 242 I N -0.405 120.184 120.570 0.032 0.000 2.226 242 I HA -0.246 39.140 4.170 58.693 0.000 0.245 242 I C 2.408 178.577 176.117 0.087 0.000 1.100 242 I CA 1.961 63.286 61.300 0.042 0.000 1.374 242 I CB -0.936 37.101 38.000 0.062 0.000 1.057 242 I HN 0.394 nan 8.210 nan 0.000 0.413 243 F N 2.007 121.958 119.950 0.002 0.000 2.069 243 F HA -0.234 4.297 4.527 0.008 0.000 0.298 243 F C 2.348 178.155 175.800 0.011 0.000 1.113 243 F CA 1.730 59.736 58.000 0.010 0.000 1.214 243 F CB -0.638 38.365 39.000 0.006 0.000 0.978 243 F HN -0.081 nan 8.300 nan 0.000 0.474 244 L N 0.092 121.187 121.223 -0.215 0.000 2.131 244 L HA -0.162 39.394 4.340 58.693 0.000 0.210 244 L C 2.466 179.189 176.870 -0.244 0.000 1.092 244 L CA 1.256 55.908 54.840 -0.312 0.000 0.759 244 L CB -0.718 41.279 42.059 -0.104 0.000 0.903 244 L HN 0.318 nan 8.230 nan 0.000 0.435 245 V N -3.720 116.104 119.914 -0.149 0.000 3.129 245 V HA 0.039 39.375 4.120 58.693 0.000 0.259 245 V C 1.477 177.548 176.094 -0.038 0.000 1.116 245 V CA 0.380 62.629 62.300 -0.084 0.000 1.127 245 V CB -0.613 31.159 31.823 -0.085 0.000 0.742 245 V HN 0.409 nan 8.190 nan 0.000 0.474 246 S N 0.809 116.459 115.700 -0.082 0.000 2.608 246 S HA 0.472 40.158 4.470 58.693 0.000 0.261 246 S C 1.481 176.037 174.600 -0.074 0.000 1.314 246 S CA 0.195 58.372 58.200 -0.038 0.000 0.992 246 S CB 0.880 64.073 63.200 -0.012 0.000 0.935 246 S HN 0.677 nan 8.310 nan 0.000 0.564 247 G N 0.301 109.088 108.800 -0.022 0.000 2.498 247 G HA2 -0.077 39.099 3.960 58.693 0.000 0.219 247 G HA3 -0.077 39.099 3.960 58.693 0.000 0.219 247 G C 1.167 176.057 174.900 -0.017 0.000 1.119 247 G CA 0.520 45.611 45.100 -0.014 0.000 0.766 247 G HN 0.708 nan 8.290 nan 0.000 0.552 248 S N 0.113 115.800 115.700 -0.022 0.000 2.561 248 S HA 0.271 39.957 4.470 58.693 0.000 0.225 248 S C 1.737 176.280 174.600 -0.095 0.000 0.977 248 S CA 0.590 58.815 58.200 0.042 0.000 0.926 248 S CB 0.193 63.530 63.200 0.228 0.000 0.769 248 S HN 0.542 nan 8.310 nan 0.000 0.533 249 A N 1.158 123.793 122.820 -0.309 0.000 2.631 249 A HA 0.220 39.756 4.320 58.693 0.000 0.294 249 A C 1.517 179.020 177.584 -0.134 0.000 1.156 249 A CA -0.451 51.358 52.037 -0.380 0.000 0.963 249 A CB -0.110 18.401 19.000 -0.815 0.000 1.202 249 A HN 0.504 nan 8.150 nan 0.000 0.523 250 Q N -1.478 118.301 119.800 -0.036 0.000 2.364 250 Q HA -0.150 39.407 4.340 58.693 0.000 0.207 250 Q C 1.071 177.127 176.000 0.094 0.000 0.970 250 Q CA 1.532 57.348 55.803 0.022 0.000 0.888 250 Q CB -0.442 28.323 28.738 0.044 0.000 0.951 250 Q HN 0.642 nan 8.270 nan 0.000 0.469 251 Y N 0.915 121.201 120.300 -0.024 0.000 2.458 251 Y HA 0.376 40.135 4.550 58.681 0.000 0.256 251 Y C 0.035 175.931 175.900 -0.006 0.000 1.159 251 Y CA -0.804 57.293 58.100 -0.006 0.000 1.261 251 Y CB 0.735 39.199 38.460 0.008 0.000 1.119 251 Y HN -0.030 nan 8.280 nan 0.000 0.524 252 I N 1.155 121.731 120.570 0.010 0.000 2.337 252 I HA 0.234 39.620 4.170 58.693 0.000 0.291 252 I C 0.122 176.192 176.117 -0.079 0.000 1.046 252 I CA 0.053 61.335 61.300 -0.030 0.000 1.324 252 I CB 0.959 38.953 38.000 -0.010 0.000 1.409 252 I HN -0.055 nan 8.210 nan 0.000 0.494 253 T N 3.703 118.202 114.554 -0.092 0.000 2.982 253 T HA 0.526 40.092 4.350 58.693 0.000 0.321 253 T C 0.359 175.024 174.700 -0.058 0.000 1.229 253 T CA 0.283 62.336 62.100 -0.078 0.000 1.044 253 T CB 1.451 70.265 68.868 -0.090 0.000 1.184 253 T HN 0.958 nan 8.240 nan 0.000 0.477 254 G N 2.466 111.242 108.800 -0.040 0.000 2.153 254 G HA2 -0.203 38.973 3.960 58.693 0.000 0.252 254 G HA3 -0.203 38.973 3.960 58.693 0.000 0.252 254 G C 0.106 174.996 174.900 -0.017 0.000 0.994 254 G CA 0.432 45.516 45.100 -0.027 0.000 0.698 254 G HN 0.941 nan 8.290 nan 0.000 0.521 255 S N -0.443 115.250 115.700 -0.012 0.000 2.525 255 S HA 0.741 40.427 4.470 58.693 0.000 0.290 255 S C 0.197 174.800 174.600 0.004 0.000 1.152 255 S CA -0.438 57.766 58.200 0.006 0.000 1.072 255 S CB 1.581 64.799 63.200 0.030 0.000 1.027 255 S HN 0.376 nan 8.310 nan 0.000 0.500 256 I N 3.086 123.658 120.570 0.005 0.000 2.389 256 I HA 0.399 39.785 4.170 58.693 0.000 0.288 256 I C -0.710 175.414 176.117 0.012 0.000 0.999 256 I CA -0.350 60.949 61.300 -0.001 0.000 1.129 256 I CB 1.179 39.167 38.000 -0.020 0.000 1.288 256 I HN 0.450 nan 8.210 nan 0.000 0.444 257 I N 6.727 127.311 120.570 0.024 0.000 2.304 257 I HA 0.245 39.631 4.170 58.693 0.000 0.291 257 I C 0.237 176.359 176.117 0.010 0.000 1.018 257 I CA -0.675 60.643 61.300 0.030 0.000 1.260 257 I CB 0.653 38.691 38.000 0.064 0.000 1.390 257 I HN 0.450 nan 8.210 nan 0.000 0.475 258 K N 5.137 125.538 120.400 0.001 0.000 2.368 258 K HA 0.297 39.833 4.320 58.693 0.000 0.282 258 K C -0.574 176.022 176.600 -0.007 0.000 1.035 258 K CA -0.174 56.110 56.287 -0.006 0.000 0.973 258 K CB 1.270 33.767 32.500 -0.006 0.000 0.957 258 K HN 0.361 nan 8.250 nan 0.000 0.474 259 V N 4.436 124.344 119.914 -0.011 0.000 2.260 259 V HA 0.045 39.381 4.120 58.693 0.000 0.263 259 V C -0.155 175.931 176.094 -0.014 0.000 1.036 259 V CA -0.419 61.873 62.300 -0.013 0.000 0.874 259 V CB 0.410 32.225 31.823 -0.012 0.000 1.116 259 V HN 0.884 nan 8.190 nan 0.000 0.454 260 D N 1.483 121.877 120.400 -0.009 0.000 2.525 260 D HA 0.149 40.005 4.640 58.693 0.000 0.231 260 D C 1.364 177.665 176.300 0.002 0.000 1.216 260 D CA 0.434 54.432 54.000 -0.003 0.000 0.813 260 D CB 0.727 41.528 40.800 0.001 0.000 1.108 260 D HN 0.595 nan 8.370 nan 0.000 0.524 261 G N 0.563 109.361 108.800 -0.003 0.000 2.203 261 G HA2 -0.112 39.064 3.960 58.693 0.000 0.263 261 G HA3 -0.112 39.064 3.960 58.693 0.000 0.263 261 G C 1.269 176.168 174.900 -0.001 0.000 1.012 261 G CA 0.812 45.911 45.100 -0.002 0.000 0.749 261 G HN 1.446 nan 8.290 nan 0.000 0.512 262 G N -1.789 107.010 108.800 -0.001 0.000 2.176 262 G HA2 -0.167 39.009 3.960 58.693 0.000 0.253 262 G HA3 -0.167 39.009 3.960 58.693 0.000 0.253 262 G C 1.198 176.100 174.900 0.002 0.000 0.979 262 G CA 1.083 46.182 45.100 -0.002 0.000 0.641 262 G HN 1.578 nan 8.290 nan 0.000 0.530 263 L N 2.287 123.518 121.223 0.013 0.000 2.013 263 L HA -0.032 39.524 4.340 58.693 0.000 0.212 263 L C 2.942 179.828 176.870 0.027 0.000 1.073 263 L CA 3.467 58.324 54.840 0.027 0.000 0.753 263 L CB -0.697 41.399 42.059 0.062 0.000 0.890 263 L HN 0.842 nan 8.230 nan 0.000 0.432 264 S N -1.456 114.261 115.700 0.029 0.000 2.500 264 S HA -0.120 39.566 4.470 58.693 0.000 0.239 264 S C 1.776 176.390 174.600 0.025 0.000 0.989 264 S CA 1.156 59.375 58.200 0.032 0.000 0.951 264 S CB -0.824 62.392 63.200 0.026 0.000 0.759 264 S HN 0.545 nan 8.310 nan 0.000 0.523 265 L N 1.139 122.369 121.223 0.013 0.000 2.558 265 L HA 0.253 39.809 4.340 58.693 0.000 0.225 265 L C 0.018 176.887 176.870 -0.002 0.000 1.128 265 L CA -0.115 54.732 54.840 0.012 0.000 0.868 265 L CB -0.069 41.994 42.059 0.007 0.000 1.006 265 L HN 0.182 nan 8.230 nan 0.000 0.454 266 V N 0.913 120.808 119.914 -0.031 0.000 2.408 266 V HA 0.049 39.386 4.120 58.693 0.000 0.267 266 V C 0.179 176.214 176.094 -0.097 0.000 1.047 266 V CA -0.794 61.437 62.300 -0.117 0.000 0.937 266 V CB 0.092 31.841 31.823 -0.124 0.000 0.999 266 V HN 0.379 nan 8.190 nan 0.000 0.472 267 H N 3.564 122.632 119.070 -0.004 0.000 2.757 267 H HA 0.631 40.403 4.556 58.694 0.000 0.370 267 H C 0.553 175.872 175.328 -0.016 0.000 1.172 267 H CA 0.067 56.112 56.048 -0.004 0.000 1.426 267 H CB 0.321 30.081 29.762 -0.003 0.000 1.438 267 H HN 0.760 nan 8.280 nan 0.000 0.612 268 A N 0.000 122.930 122.820 0.184 0.000 2.254 268 A HA 0.000 39.536 4.320 58.693 0.000 0.244 268 A CA 0.000 52.104 52.037 0.112 0.000 0.836 268 A CB 0.000 19.047 19.000 0.079 0.000 0.831 268 A HN 0.000 nan 8.150 nan 0.000 0.486