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 2hld_1_E DATA FIRST_RESID 8 DATA SEQUENCE PITGKVTAVI GAIVDVHFEQ SELPAILNAL EIKTPQGKLV LEVAQHLGEN DATA SEQUENCE TVRTIAMDGT EGLVRGEKVL DTGGPISVPV GRETLGRIIN VIGEPIDERG DATA SEQUENCE PIKSKLRKPI HADPPSFAEQ STSAEILETG IKVVDLLAPY ARGGKIGLFG DATA SEQUENCE GAGVGKTVFI QELINNIAKA HGGFSVFTGV GERTREGNDL YREMKETGVI DATA SEQUENCE NLEGESKVAL VFGQMNEPPG ARARVALTGL TIAEYFRDEE GQDVLLFIDN DATA SEQUENCE IFRFTQAGSE VSALLGRIPS AVGYQPTLAT DMGLLQERIT TTKKGSVTSV DATA SEQUENCE QAVYVPADDL TDPAPATTFA HLDATTVLSR GISELGIYPA VDPLDSKSRL DATA SEQUENCE LDAAVVGQEH YDVASKVQET LQTYKSLQDI IAILGMDELS EQDKLTVERA DATA SEQUENCE RKIQRFLSQP FAVAEVFTGI PGKLVRLKDT VASFKAVLEG KYDNIPEHAF DATA SEQUENCE YMVGGIEDVV AKAEKLAA 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 8 P HA 0.000 nan 4.420 nan 0.000 0.216 8 P C 0.000 177.327 177.300 0.045 0.000 1.155 8 P CA 0.000 63.117 63.100 0.029 0.000 0.800 8 P CB 0.000 31.717 31.700 0.028 0.000 0.726 9 I N 0.962 121.568 120.570 0.060 0.000 2.556 9 I HA 0.303 4.472 4.170 -0.001 0.000 0.284 9 I C 0.428 176.651 176.117 0.177 0.000 1.114 9 I CA 0.634 61.999 61.300 0.109 0.000 1.418 9 I CB 0.800 38.851 38.000 0.085 0.000 1.394 9 I HN 0.272 nan 8.210 nan 0.000 0.552 10 T N 4.551 119.204 114.554 0.166 0.000 2.841 10 T HA 0.623 4.973 4.350 -0.001 0.000 0.283 10 T C 0.096 174.743 174.700 -0.089 0.000 1.000 10 T CA -0.564 61.577 62.100 0.067 0.000 0.977 10 T CB 1.723 70.599 68.868 0.013 0.000 0.979 10 T HN 0.834 nan 8.240 nan 0.000 0.446 11 G N 1.822 110.371 108.800 -0.419 0.000 2.788 11 G HA2 0.776 4.735 3.960 -0.001 0.000 0.293 11 G HA3 0.776 4.735 3.960 -0.001 0.000 0.293 11 G C -1.419 173.215 174.900 -0.444 0.000 1.305 11 G CA -0.728 43.815 45.100 -0.928 0.000 1.005 11 G HN 0.563 nan 8.290 nan 0.000 0.496 12 K N -0.370 119.812 120.400 -0.363 0.000 2.422 12 K HA 0.490 4.809 4.320 -0.001 0.000 0.251 12 K C -0.875 175.646 176.600 -0.133 0.000 0.933 12 K CA -0.713 55.472 56.287 -0.170 0.000 0.798 12 K CB 2.970 35.422 32.500 -0.081 0.000 1.238 12 K HN 0.239 nan 8.250 nan 0.000 0.428 13 V N 2.705 122.565 119.914 -0.089 0.000 2.521 13 V HA -0.022 4.097 4.120 -0.001 0.000 0.286 13 V C 1.321 177.392 176.094 -0.038 0.000 1.034 13 V CA 0.632 62.899 62.300 -0.054 0.000 1.045 13 V CB 0.889 32.690 31.823 -0.037 0.000 0.974 13 V HN 1.063 nan 8.190 nan 0.000 0.480 14 T N 1.067 115.607 114.554 -0.022 0.000 2.971 14 T HA 0.573 4.923 4.350 -0.001 0.000 0.252 14 T C 0.337 175.028 174.700 -0.016 0.000 1.022 14 T CA 0.461 62.547 62.100 -0.023 0.000 0.980 14 T CB 0.547 69.404 68.868 -0.020 0.000 1.044 14 T HN 0.996 nan 8.240 nan 0.000 0.501 15 A N 0.598 123.414 122.820 -0.007 0.000 2.540 15 A HA 0.678 4.998 4.320 -0.001 0.000 0.297 15 A C -1.521 176.063 177.584 0.000 0.000 1.056 15 A CA -0.693 51.342 52.037 -0.003 0.000 0.700 15 A CB 1.816 20.818 19.000 0.002 0.000 1.280 15 A HN 0.285 nan 8.150 nan 0.000 0.398 16 V N 2.912 122.825 119.914 -0.002 0.000 2.443 16 V HA 0.534 4.653 4.120 -0.001 0.000 0.293 16 V C -0.695 175.399 176.094 0.001 0.000 1.021 16 V CA -0.108 62.192 62.300 0.001 0.000 0.848 16 V CB 1.277 33.099 31.823 -0.002 0.000 0.998 16 V HN 0.714 nan 8.190 nan 0.000 0.424 17 I N 4.352 124.924 120.570 0.003 0.000 2.493 17 I HA 0.582 4.751 4.170 -0.001 0.000 0.279 17 I C 1.114 177.232 176.117 0.002 0.000 1.045 17 I CA -0.108 61.194 61.300 0.002 0.000 1.106 17 I CB 1.437 39.439 38.000 0.003 0.000 1.216 17 I HN 0.825 nan 8.210 nan 0.000 0.459 18 G N 4.895 113.696 108.800 0.001 0.000 2.685 18 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.329 18 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.329 18 G C 0.908 175.810 174.900 0.003 0.000 1.271 18 G CA 0.779 45.880 45.100 0.001 0.000 1.003 18 G HN 0.823 nan 8.290 nan 0.000 0.549 19 A N -0.675 122.147 122.820 0.003 0.000 2.275 19 A HA 0.556 4.876 4.320 -0.001 0.000 0.212 19 A C 0.955 178.545 177.584 0.010 0.000 1.201 19 A CA 0.607 52.648 52.037 0.006 0.000 0.843 19 A CB 0.023 19.026 19.000 0.004 0.000 0.873 19 A HN 0.532 nan 8.150 nan 0.000 0.492 20 I N 1.253 121.828 120.570 0.009 0.000 2.342 20 I HA 0.330 4.499 4.170 -0.001 0.000 0.291 20 I C -0.505 175.622 176.117 0.016 0.000 1.010 20 I CA -0.435 60.874 61.300 0.014 0.000 1.308 20 I CB 0.995 39.002 38.000 0.011 0.000 1.400 20 I HN -0.128 nan 8.210 nan 0.000 0.488 21 V N 5.737 125.665 119.914 0.022 0.000 2.656 21 V HA 0.423 4.542 4.120 -0.001 0.000 0.307 21 V C -0.641 175.473 176.094 0.032 0.000 1.051 21 V CA -0.839 61.475 62.300 0.022 0.000 0.893 21 V CB 2.544 34.379 31.823 0.021 0.000 0.999 21 V HN 0.572 nan 8.190 nan 0.000 0.426 22 D N 2.964 123.380 120.400 0.028 0.000 2.217 22 D HA 0.598 5.238 4.640 -0.001 0.000 0.243 22 D C -0.666 175.654 176.300 0.034 0.000 1.054 22 D CA -0.120 53.904 54.000 0.041 0.000 0.838 22 D CB 2.367 43.189 40.800 0.037 0.000 1.162 22 D HN 0.254 nan 8.370 nan 0.000 0.472 23 V N 2.204 122.153 119.914 0.058 0.000 2.555 23 V HA 0.226 4.346 4.120 -0.001 0.000 0.302 23 V C -0.078 176.033 176.094 0.029 0.000 1.038 23 V CA -0.848 61.450 62.300 -0.002 0.000 0.887 23 V CB 2.138 33.950 31.823 -0.019 0.000 0.991 23 V HN 0.549 nan 8.190 nan 0.000 0.434 24 H N 3.908 122.869 119.070 -0.182 0.000 2.488 24 H HA 0.587 5.142 4.556 -0.001 0.000 0.322 24 H C -1.689 173.473 175.328 -0.278 0.000 1.078 24 H CA -0.269 55.709 56.048 -0.117 0.000 1.260 24 H CB 1.214 30.924 29.762 -0.087 0.000 1.425 24 H HN 0.509 nan 8.280 nan 0.000 0.471 25 F N 1.555 121.171 119.950 -0.557 0.000 2.639 25 F HA 0.228 4.754 4.527 -0.001 0.000 0.339 25 F C 0.553 176.049 175.800 -0.507 0.000 1.071 25 F CA -0.928 56.844 58.000 -0.381 0.000 0.994 25 F CB 1.074 39.931 39.000 -0.238 0.000 1.341 25 F HN 0.466 nan 8.300 nan 0.000 0.498 26 E N 0.284 120.468 120.200 -0.027 0.000 2.345 26 E HA 0.160 4.509 4.350 -0.001 0.000 0.259 26 E C -0.861 175.717 176.600 -0.036 0.000 1.117 26 E CA -0.541 55.834 56.400 -0.042 0.000 0.913 26 E CB 0.448 30.156 29.700 0.013 0.000 1.057 26 E HN 0.455 nan 8.360 nan 0.000 0.432 27 Q N 0.543 120.332 119.800 -0.018 0.000 2.549 27 Q HA -0.057 4.283 4.340 -0.001 0.000 0.347 27 Q C 0.217 176.203 176.000 -0.022 0.000 1.081 27 Q CA 0.862 56.656 55.803 -0.014 0.000 1.093 27 Q CB -0.382 28.358 28.738 0.003 0.000 1.067 27 Q HN 0.673 nan 8.270 nan 0.000 0.398 28 S N 0.643 116.323 115.700 -0.033 0.000 3.491 28 S HA -0.295 4.175 4.470 -0.001 0.000 0.371 28 S C 0.267 174.838 174.600 -0.048 0.000 0.980 28 S CA 1.463 59.642 58.200 -0.036 0.000 1.204 28 S CB -1.056 62.133 63.200 -0.018 0.000 0.915 28 S HN 0.896 nan 8.310 nan 0.000 0.482 29 E N -0.600 119.556 120.200 -0.073 0.000 2.810 29 E HA 0.345 4.695 4.350 -0.001 0.000 0.214 29 E C -0.108 176.359 176.600 -0.222 0.000 0.980 29 E CA -0.428 55.919 56.400 -0.088 0.000 1.159 29 E CB 0.349 30.035 29.700 -0.023 0.000 1.047 29 E HN 0.761 nan 8.360 nan 0.000 0.484 30 L N 3.505 124.575 121.223 -0.256 0.000 2.416 30 L HA 0.250 4.590 4.340 -0.001 0.000 0.272 30 L C -1.853 174.793 176.870 -0.374 0.000 1.161 30 L CA -1.527 53.043 54.840 -0.451 0.000 0.845 30 L CB 0.029 41.830 42.059 -0.432 0.000 1.119 30 L HN 0.033 nan 8.230 nan 0.000 0.464 31 P HA 0.173 nan 4.420 nan 0.000 0.275 31 P C -0.667 176.618 177.300 -0.025 0.000 1.228 31 P CA -0.519 62.417 63.100 -0.273 0.000 0.786 31 P CB 1.086 32.575 31.700 -0.350 0.000 0.927 32 A N 3.844 126.659 122.820 -0.008 0.000 2.483 32 A HA 0.155 4.474 4.320 -0.001 0.000 0.238 32 A C 0.701 178.288 177.584 0.004 0.000 1.070 32 A CA -0.386 51.655 52.037 0.007 0.000 0.770 32 A CB -0.593 18.384 19.000 -0.039 0.000 1.008 32 A HN 0.567 nan 8.150 nan 0.000 0.497 33 I N 1.436 121.959 120.570 -0.079 0.000 2.752 33 I HA -0.081 4.088 4.170 -0.001 0.000 0.289 33 I C 0.656 176.714 176.117 -0.098 0.000 1.197 33 I CA 0.932 62.178 61.300 -0.089 0.000 1.432 33 I CB 0.067 37.963 38.000 -0.174 0.000 1.359 33 I HN 0.741 nan 8.210 nan 0.000 0.571 34 L N 2.364 123.538 121.223 -0.083 0.000 4.892 34 L HA -0.253 4.087 4.340 -0.001 0.000 0.403 34 L C 0.239 177.098 176.870 -0.017 0.000 0.913 34 L CA -0.060 54.712 54.840 -0.113 0.000 1.653 34 L CB -1.791 40.069 42.059 -0.331 0.000 1.780 34 L HN 0.672 nan 8.230 nan 0.000 0.597 35 N N 1.285 119.981 118.700 -0.007 0.000 2.395 35 N HA 0.433 5.172 4.740 -0.001 0.000 0.246 35 N C 0.341 175.874 175.510 0.038 0.000 1.246 35 N CA 0.984 54.042 53.050 0.014 0.000 0.879 35 N CB 0.676 39.157 38.487 -0.011 0.000 1.098 35 N HN 0.327 nan 8.380 nan 0.000 0.444 36 A N 2.398 125.245 122.820 0.045 0.000 2.289 36 A HA 0.539 4.859 4.320 -0.001 0.000 0.298 36 A C -0.239 177.378 177.584 0.055 0.000 1.208 36 A CA -0.528 51.541 52.037 0.053 0.000 0.845 36 A CB 0.041 19.069 19.000 0.047 0.000 1.125 36 A HN 0.604 nan 8.150 nan 0.000 0.517 37 L N 1.607 122.872 121.223 0.071 0.000 2.334 37 L HA 0.612 4.952 4.340 -0.001 0.000 0.270 37 L C 0.057 176.967 176.870 0.067 0.000 1.018 37 L CA -0.534 54.361 54.840 0.092 0.000 0.811 37 L CB 1.699 43.843 42.059 0.142 0.000 1.271 37 L HN 0.712 nan 8.230 nan 0.000 0.443 38 E N 2.070 122.307 120.200 0.062 0.000 2.246 38 E HA 0.544 4.894 4.350 -0.001 0.000 0.266 38 E C -1.313 175.305 176.600 0.030 0.000 0.880 38 E CA -0.450 55.974 56.400 0.040 0.000 0.762 38 E CB 2.897 32.617 29.700 0.032 0.000 1.180 38 E HN 0.396 nan 8.360 nan 0.000 0.416 39 I N 2.755 123.337 120.570 0.020 0.000 2.404 39 I HA 0.279 4.449 4.170 -0.001 0.000 0.293 39 I C -0.076 176.045 176.117 0.007 0.000 0.992 39 I CA -0.834 60.471 61.300 0.009 0.000 1.149 39 I CB 1.424 39.426 38.000 0.005 0.000 1.315 39 I HN 0.216 nan 8.210 nan 0.000 0.446 40 K N 4.302 124.704 120.400 0.004 0.000 2.322 40 K HA 0.358 4.677 4.320 -0.001 0.000 0.283 40 K C -0.115 176.485 176.600 0.001 0.000 1.042 40 K CA -0.211 56.078 56.287 0.003 0.000 0.958 40 K CB 0.984 33.486 32.500 0.002 0.000 0.984 40 K HN 0.692 nan 8.250 nan 0.000 0.473 41 T N -0.302 114.254 114.554 0.002 0.000 2.924 41 T HA 0.327 4.677 4.350 -0.001 0.000 0.291 41 T C -2.038 172.662 174.700 0.001 0.000 1.045 41 T CA -2.031 60.070 62.100 0.001 0.000 1.015 41 T CB 1.602 70.471 68.868 0.002 0.000 1.103 41 T HN 0.200 nan 8.240 nan 0.000 0.496 42 P HA -0.074 nan 4.420 nan 0.000 0.218 42 P C 1.283 178.583 177.300 0.000 0.000 1.148 42 P CA 1.046 64.146 63.100 -0.000 0.000 0.822 42 P CB 0.138 31.838 31.700 -0.001 0.000 0.784 43 Q N -1.142 118.658 119.800 0.001 0.000 1.969 43 Q HA 0.162 4.501 4.340 -0.001 0.000 0.198 43 Q C 1.833 177.834 176.000 0.001 0.000 0.978 43 Q CA 1.866 57.669 55.803 0.001 0.000 0.830 43 Q CB -0.918 27.821 28.738 0.001 0.000 0.896 43 Q HN 0.310 nan 8.270 nan 0.000 0.431 44 G N -0.683 108.119 108.800 0.002 0.000 3.246 44 G HA2 0.305 4.265 3.960 -0.001 0.000 0.160 44 G HA3 0.305 4.265 3.960 -0.001 0.000 0.160 44 G C -1.218 173.684 174.900 0.004 0.000 1.458 44 G CA -0.130 44.972 45.100 0.003 0.000 1.139 44 G HN 0.156 nan 8.290 nan 0.000 0.750 45 K N -0.382 120.022 120.400 0.006 0.000 2.523 45 K HA 0.689 5.009 4.320 -0.001 0.000 0.257 45 K C -1.945 174.662 176.600 0.010 0.000 0.932 45 K CA -0.859 55.433 56.287 0.008 0.000 0.812 45 K CB 2.673 35.179 32.500 0.010 0.000 1.326 45 K HN 0.451 nan 8.250 nan 0.000 0.433 46 L N 2.831 124.061 121.223 0.012 0.000 2.265 46 L HA 0.369 4.709 4.340 -0.001 0.000 0.288 46 L C -1.221 175.662 176.870 0.021 0.000 1.058 46 L CA -0.284 54.565 54.840 0.015 0.000 0.809 46 L CB 1.538 43.604 42.059 0.012 0.000 1.179 46 L HN 0.565 nan 8.230 nan 0.000 0.429 47 V N 6.747 126.675 119.914 0.023 0.000 2.427 47 V HA 0.454 4.574 4.120 -0.001 0.000 0.286 47 V C 0.133 176.248 176.094 0.036 0.000 1.034 47 V CA -0.529 61.790 62.300 0.031 0.000 0.893 47 V CB 1.463 33.303 31.823 0.029 0.000 0.982 47 V HN 0.643 nan 8.190 nan 0.000 0.452 48 L N 3.995 125.246 121.223 0.046 0.000 2.342 48 L HA 0.655 4.994 4.340 -0.001 0.000 0.271 48 L C -0.107 176.799 176.870 0.059 0.000 1.008 48 L CA -0.486 54.384 54.840 0.051 0.000 0.818 48 L CB 2.012 44.106 42.059 0.058 0.000 1.296 48 L HN 0.581 nan 8.230 nan 0.000 0.427 49 E N 1.421 121.656 120.200 0.059 0.000 2.158 49 E HA 0.348 4.698 4.350 -0.001 0.000 0.271 49 E C -1.193 175.441 176.600 0.055 0.000 0.911 49 E CA -0.804 55.634 56.400 0.063 0.000 0.767 49 E CB 2.123 31.870 29.700 0.077 0.000 1.120 49 E HN 0.331 nan 8.360 nan 0.000 0.405 50 V N 4.232 124.177 119.914 0.053 0.000 2.485 50 V HA 0.025 4.145 4.120 -0.001 0.000 0.287 50 V C 0.956 177.071 176.094 0.036 0.000 1.022 50 V CA 0.842 63.178 62.300 0.060 0.000 1.067 50 V CB 0.620 32.483 31.823 0.068 0.000 0.967 50 V HN 0.868 nan 8.190 nan 0.000 0.479 51 A N 4.490 127.336 122.820 0.044 0.000 1.963 51 A HA 0.279 4.599 4.320 -0.001 0.000 0.207 51 A C 0.792 178.387 177.584 0.020 0.000 1.243 51 A CA 0.376 52.424 52.037 0.018 0.000 0.728 51 A CB 0.270 19.281 19.000 0.019 0.000 0.895 51 A HN 0.763 nan 8.150 nan 0.000 0.467 52 Q N -1.208 118.633 119.800 0.068 0.000 2.456 52 Q HA 0.393 4.733 4.340 -0.001 0.000 0.284 52 Q C -1.619 174.518 176.000 0.228 0.000 1.061 52 Q CA -0.565 55.290 55.803 0.086 0.000 0.799 52 Q CB 1.886 30.658 28.738 0.057 0.000 1.445 52 Q HN 0.614 nan 8.270 nan 0.000 0.411 53 H N 1.913 120.982 119.070 -0.003 0.000 2.690 53 H HA 0.221 4.776 4.556 -0.001 0.000 0.289 53 H C 0.506 175.842 175.328 0.014 0.000 1.089 53 H CA -0.242 55.809 56.048 0.004 0.000 1.299 53 H CB 0.898 30.653 29.762 -0.010 0.000 1.405 53 H HN 0.433 nan 8.280 nan 0.000 0.463 54 L N 2.832 124.123 121.223 0.114 0.000 2.478 54 L HA 0.117 4.457 4.340 -0.001 0.000 0.223 54 L C 1.156 178.064 176.870 0.063 0.000 1.140 54 L CA 0.513 55.398 54.840 0.075 0.000 0.842 54 L CB -0.042 42.053 42.059 0.060 0.000 0.953 54 L HN 0.875 nan 8.230 nan 0.000 0.452 55 G N 0.027 108.864 108.800 0.062 0.000 2.619 55 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.686 55 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.686 55 G C -0.005 174.925 174.900 0.050 0.000 1.256 55 G CA -0.460 44.671 45.100 0.050 0.000 0.826 55 G HN 0.276 nan 8.290 nan 0.000 0.619 56 E N 0.097 120.327 120.200 0.050 0.000 2.476 56 E HA -0.256 4.094 4.350 -0.001 0.000 0.251 56 E C 0.783 177.454 176.600 0.118 0.000 1.130 56 E CA 0.696 57.140 56.400 0.074 0.000 0.736 56 E CB -1.012 28.729 29.700 0.068 0.000 1.298 56 E HN 1.112 nan 8.360 nan 0.000 0.400 57 N N -1.276 117.452 118.700 0.046 0.000 2.725 57 N HA -0.150 4.589 4.740 -0.001 0.000 0.249 57 N C -0.773 174.736 175.510 -0.002 0.000 1.103 57 N CA 1.912 54.944 53.050 -0.031 0.000 0.707 57 N CB -1.196 37.227 38.487 -0.107 0.000 1.043 57 N HN 0.245 nan 8.380 nan 0.000 0.553 58 T N 0.029 114.620 114.554 0.062 0.000 2.829 58 T HA 0.600 4.949 4.350 -0.001 0.000 0.280 58 T C 0.463 175.189 174.700 0.043 0.000 0.999 58 T CA -0.693 61.470 62.100 0.105 0.000 0.983 58 T CB 2.609 71.554 68.868 0.129 0.000 0.968 58 T HN 0.133 nan 8.240 nan 0.000 0.446 59 V N 1.614 121.577 119.914 0.081 0.000 2.581 59 V HA 0.745 4.865 4.120 -0.001 0.000 0.303 59 V C -0.170 175.982 176.094 0.097 0.000 1.041 59 V CA -1.341 61.003 62.300 0.074 0.000 0.907 59 V CB 1.561 33.424 31.823 0.066 0.000 0.994 59 V HN 0.830 nan 8.190 nan 0.000 0.442 60 R N 2.503 123.058 120.500 0.093 0.000 2.312 60 R HA 0.715 5.054 4.340 -0.001 0.000 0.311 60 R C -0.029 176.315 176.300 0.073 0.000 1.004 60 R CA 0.354 56.497 56.100 0.072 0.000 0.902 60 R CB 1.356 31.690 30.300 0.057 0.000 1.073 60 R HN 1.160 nan 8.270 nan 0.000 0.457 61 T N 1.803 116.394 114.554 0.062 0.000 2.916 61 T HA 0.534 4.883 4.350 -0.001 0.000 0.292 61 T C 0.064 174.788 174.700 0.041 0.000 1.064 61 T CA -1.044 61.090 62.100 0.057 0.000 1.011 61 T CB 1.104 70.013 68.868 0.069 0.000 1.152 61 T HN 0.566 nan 8.240 nan 0.000 0.510 62 I N 0.128 120.720 120.570 0.037 0.000 2.354 62 I HA 0.787 4.957 4.170 -0.001 0.000 0.292 62 I C 0.355 176.491 176.117 0.031 0.000 0.989 62 I CA -1.397 59.920 61.300 0.028 0.000 1.188 62 I CB 1.070 39.084 38.000 0.023 0.000 1.342 62 I HN 0.871 nan 8.210 nan 0.000 0.457 63 A N 7.087 129.922 122.820 0.025 0.000 2.462 63 A HA 0.406 4.726 4.320 -0.001 0.000 0.243 63 A C 0.867 178.465 177.584 0.024 0.000 1.076 63 A CA -0.332 51.720 52.037 0.024 0.000 0.773 63 A CB 0.434 19.445 19.000 0.018 0.000 1.010 63 A HN 0.883 nan 8.150 nan 0.000 0.493 64 M N 0.780 120.395 119.600 0.026 0.000 2.495 64 M HA 0.178 4.658 4.480 -0.001 0.000 0.237 64 M C -0.121 176.192 176.300 0.021 0.000 1.131 64 M CA 0.611 55.926 55.300 0.025 0.000 1.032 64 M CB -0.977 31.640 32.600 0.028 0.000 1.513 64 M HN 0.806 nan 8.290 nan 0.000 0.488 65 D N -1.166 119.244 120.400 0.017 0.000 2.692 65 D HA 0.468 5.107 4.640 -0.001 0.000 0.303 65 D C -0.580 175.726 176.300 0.011 0.000 1.278 65 D CA -0.186 53.822 54.000 0.014 0.000 0.852 65 D CB 1.188 41.996 40.800 0.013 0.000 1.375 65 D HN 0.111 nan 8.370 nan 0.000 0.453 66 G N -1.177 107.628 108.800 0.008 0.000 2.594 66 G HA2 0.395 4.355 3.960 -0.001 0.000 0.243 66 G HA3 0.395 4.355 3.960 -0.001 0.000 0.243 66 G C 0.700 175.604 174.900 0.006 0.000 1.229 66 G CA 0.587 45.691 45.100 0.006 0.000 0.843 66 G HN 0.434 nan 8.290 nan 0.000 0.578 67 T N -2.102 112.454 114.554 0.004 0.000 3.091 67 T HA 0.177 4.527 4.350 -0.001 0.000 0.277 67 T C 0.584 175.285 174.700 0.001 0.000 0.996 67 T CA -0.080 62.023 62.100 0.004 0.000 0.897 67 T CB 0.056 68.927 68.868 0.004 0.000 1.109 67 T HN 0.640 nan 8.240 nan 0.000 0.534 68 E N 1.819 122.020 120.200 0.001 0.000 2.529 68 E HA 0.302 4.652 4.350 -0.001 0.000 0.259 68 E C 1.197 177.796 176.600 -0.001 0.000 0.966 68 E CA 0.881 57.280 56.400 -0.000 0.000 0.937 68 E CB 0.104 29.803 29.700 -0.000 0.000 0.923 68 E HN 0.537 nan 8.360 nan 0.000 0.468 69 G N 2.802 111.601 108.800 -0.002 0.000 2.258 69 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.233 69 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.233 69 G C 0.356 175.254 174.900 -0.004 0.000 1.006 69 G CA 0.025 45.123 45.100 -0.003 0.000 0.620 69 G HN 0.495 nan 8.290 nan 0.000 0.511 70 L N 1.321 122.541 121.223 -0.004 0.000 2.514 70 L HA 0.395 4.735 4.340 -0.001 0.000 0.280 70 L C 0.548 177.413 176.870 -0.009 0.000 1.223 70 L CA 0.118 54.955 54.840 -0.006 0.000 0.864 70 L CB 0.975 43.031 42.059 -0.005 0.000 1.118 70 L HN 0.076 nan 8.230 nan 0.000 0.494 71 V N 3.991 123.898 119.914 -0.012 0.000 2.680 71 V HA 0.364 4.483 4.120 -0.001 0.000 0.309 71 V C 0.096 176.179 176.094 -0.019 0.000 1.052 71 V CA -0.928 61.364 62.300 -0.014 0.000 0.908 71 V CB 1.927 33.741 31.823 -0.014 0.000 1.001 71 V HN 0.648 nan 8.190 nan 0.000 0.431 72 R N 2.387 122.875 120.500 -0.020 0.000 2.404 72 R HA 0.444 4.784 4.340 -0.001 0.000 0.315 72 R C 1.178 177.460 176.300 -0.030 0.000 1.032 72 R CA 1.041 57.126 56.100 -0.025 0.000 0.992 72 R CB 0.203 30.487 30.300 -0.025 0.000 0.959 72 R HN 1.189 nan 8.270 nan 0.000 0.428 73 G N 2.160 110.938 108.800 -0.036 0.000 2.229 73 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.189 73 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.189 73 G C 0.070 174.945 174.900 -0.041 0.000 1.000 73 G CA -0.483 44.593 45.100 -0.040 0.000 0.663 73 G HN 0.580 nan 8.290 nan 0.000 0.493 74 E N 1.075 121.252 120.200 -0.038 0.000 2.413 74 E HA 0.312 4.661 4.350 -0.001 0.000 0.263 74 E C 0.691 177.261 176.600 -0.050 0.000 1.015 74 E CA -0.224 56.155 56.400 -0.036 0.000 0.916 74 E CB 0.384 30.068 29.700 -0.027 0.000 0.947 74 E HN 0.324 nan 8.360 nan 0.000 0.440 75 K N 2.557 122.931 120.400 -0.044 0.000 2.451 75 K HA 0.095 4.414 4.320 -0.001 0.000 0.280 75 K C -1.261 175.307 176.600 -0.053 0.000 1.020 75 K CA -0.198 56.058 56.287 -0.053 0.000 1.008 75 K CB 0.519 33.000 32.500 -0.032 0.000 0.917 75 K HN 0.188 nan 8.250 nan 0.000 0.478 76 V N 6.113 125.977 119.914 -0.084 0.000 2.531 76 V HA 0.298 4.418 4.120 -0.001 0.000 0.301 76 V C -0.696 175.399 176.094 0.002 0.000 1.034 76 V CA -1.041 61.226 62.300 -0.056 0.000 0.865 76 V CB 1.360 33.111 31.823 -0.119 0.000 0.995 76 V HN 0.687 nan 8.190 nan 0.000 0.424 77 L N 3.710 124.968 121.223 0.057 0.000 2.325 77 L HA 0.688 5.028 4.340 -0.001 0.000 0.279 77 L C -0.377 176.579 176.870 0.143 0.000 1.054 77 L CA 0.155 55.051 54.840 0.093 0.000 0.804 77 L CB 1.634 43.726 42.059 0.055 0.000 1.200 77 L HN 0.761 nan 8.230 nan 0.000 0.436 78 D N 1.191 121.686 120.400 0.159 0.000 2.280 78 D HA 0.210 4.849 4.640 -0.001 0.000 0.236 78 D C 0.842 177.173 176.300 0.051 0.000 1.082 78 D CA 0.096 54.160 54.000 0.107 0.000 0.834 78 D CB 1.509 42.339 40.800 0.050 0.000 1.100 78 D HN 0.683 nan 8.370 nan 0.000 0.486 79 T N 0.892 115.469 114.554 0.038 0.000 3.118 79 T HA 0.239 4.589 4.350 -0.001 0.000 0.260 79 T C 1.574 176.281 174.700 0.011 0.000 1.139 79 T CA 0.531 62.645 62.100 0.024 0.000 1.085 79 T CB -0.133 68.749 68.868 0.024 0.000 0.934 79 T HN 0.719 nan 8.240 nan 0.000 0.518 80 G N -0.044 108.757 108.800 0.001 0.000 2.241 80 G HA2 0.041 4.000 3.960 -0.001 0.000 0.244 80 G HA3 0.041 4.000 3.960 -0.001 0.000 0.244 80 G C 0.393 175.288 174.900 -0.008 0.000 0.998 80 G CA -0.272 44.822 45.100 -0.010 0.000 0.621 80 G HN 1.237 nan 8.290 nan 0.000 0.519 81 G N -0.796 108.006 108.800 0.003 0.000 2.827 81 G HA2 0.770 4.729 3.960 -0.001 0.000 0.296 81 G HA3 0.770 4.729 3.960 -0.001 0.000 0.296 81 G C -3.167 171.750 174.900 0.028 0.000 1.362 81 G CA -0.438 44.669 45.100 0.011 0.000 0.809 81 G HN 0.193 nan 8.290 nan 0.000 0.522 82 P HA 0.248 nan 4.420 nan 0.000 0.271 82 P C 0.183 177.524 177.300 0.069 0.000 1.244 82 P CA -0.375 62.784 63.100 0.098 0.000 0.793 82 P CB 0.532 32.329 31.700 0.161 0.000 0.984 83 I N 0.285 120.902 120.570 0.078 0.000 2.821 83 I HA -0.071 4.098 4.170 -0.001 0.000 0.294 83 I C 0.880 176.999 176.117 0.002 0.000 1.210 83 I CA 1.046 62.365 61.300 0.032 0.000 1.430 83 I CB -0.323 37.691 38.000 0.023 0.000 1.356 83 I HN 0.344 nan 8.210 nan 0.000 0.563 84 S N 6.268 121.962 115.700 -0.009 0.000 2.532 84 S HA 0.834 5.303 4.470 -0.001 0.000 0.301 84 S C -0.512 174.063 174.600 -0.043 0.000 1.083 84 S CA -0.834 57.350 58.200 -0.028 0.000 1.025 84 S CB 2.114 65.300 63.200 -0.023 0.000 1.056 84 S HN 0.525 nan 8.310 nan 0.000 0.494 85 V N -1.699 118.176 119.914 -0.064 0.000 2.823 85 V HA 0.787 4.906 4.120 -0.001 0.000 0.312 85 V C -2.963 173.064 176.094 -0.111 0.000 1.072 85 V CA -2.928 59.326 62.300 -0.077 0.000 0.937 85 V CB 1.439 33.215 31.823 -0.079 0.000 1.013 85 V HN 0.807 nan 8.190 nan 0.000 0.430 86 P HA 0.304 nan 4.420 nan 0.000 0.268 86 P C -0.422 176.748 177.300 -0.218 0.000 1.205 86 P CA 0.229 63.240 63.100 -0.148 0.000 0.771 86 P CB 1.297 32.933 31.700 -0.106 0.000 0.858 87 V N -1.269 118.436 119.914 -0.349 0.000 3.130 87 V HA 0.981 5.101 4.120 -0.001 0.000 0.310 87 V C 0.090 175.775 176.094 -0.681 0.000 1.158 87 V CA -0.187 61.778 62.300 -0.558 0.000 1.029 87 V CB 1.211 32.562 31.823 -0.787 0.000 1.057 87 V HN 1.017 nan 8.190 nan 0.000 0.436 88 G N 1.638 109.997 108.800 -0.735 0.000 2.549 88 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.404 88 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.404 88 G C 0.012 174.919 174.900 0.012 0.000 1.292 88 G CA 0.114 45.020 45.100 -0.323 0.000 0.935 88 G HN 0.978 nan 8.290 nan 0.000 0.512 89 R N 0.182 120.796 120.500 0.190 0.000 2.189 89 R HA -0.003 4.336 4.340 -0.001 0.000 0.223 89 R C 2.028 178.338 176.300 0.017 0.000 1.092 89 R CA 1.413 57.598 56.100 0.142 0.000 0.989 89 R CB -0.107 30.264 30.300 0.118 0.000 0.876 89 R HN 0.546 nan 8.270 nan 0.000 0.457 90 E N -0.019 120.181 120.200 -0.000 0.000 2.472 90 E HA -0.108 4.241 4.350 -0.001 0.000 0.200 90 E C 1.603 178.188 176.600 -0.025 0.000 1.046 90 E CA 1.439 57.827 56.400 -0.021 0.000 0.871 90 E CB 0.106 29.787 29.700 -0.033 0.000 0.806 90 E HN 0.472 nan 8.360 nan 0.000 0.533 91 T N -1.919 112.626 114.554 -0.016 0.000 3.067 91 T HA 0.099 4.448 4.350 -0.001 0.000 0.257 91 T C 1.197 175.902 174.700 0.009 0.000 1.105 91 T CA -0.169 61.927 62.100 -0.006 0.000 1.104 91 T CB -0.076 68.785 68.868 -0.011 0.000 0.925 91 T HN -0.049 nan 8.240 nan 0.000 0.498 92 L N 2.042 123.252 121.223 -0.021 0.000 2.499 92 L HA 0.392 4.732 4.340 -0.001 0.000 0.273 92 L C 1.682 178.543 176.870 -0.015 0.000 1.195 92 L CA 0.878 55.678 54.840 -0.068 0.000 0.882 92 L CB -0.077 41.842 42.059 -0.234 0.000 1.133 92 L HN 0.569 nan 8.230 nan 0.000 0.483 93 G N 2.045 110.861 108.800 0.025 0.000 2.168 93 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.263 93 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.263 93 G C 0.273 175.243 174.900 0.117 0.000 0.977 93 G CA -0.221 44.929 45.100 0.083 0.000 0.659 93 G HN 0.486 nan 8.290 nan 0.000 0.533 94 R N -0.310 120.229 120.500 0.065 0.000 2.604 94 R HA 0.686 5.025 4.340 -0.001 0.000 0.287 94 R C 0.386 176.693 176.300 0.012 0.000 0.970 94 R CA -1.041 55.082 56.100 0.038 0.000 0.946 94 R CB 1.002 31.310 30.300 0.014 0.000 1.127 94 R HN 0.283 nan 8.270 nan 0.000 0.473 95 I N 3.684 124.231 120.570 -0.038 0.000 2.353 95 I HA 0.403 4.573 4.170 -0.001 0.000 0.293 95 I C 0.166 176.285 176.117 0.004 0.000 0.992 95 I CA -0.399 60.888 61.300 -0.021 0.000 1.268 95 I CB 0.941 38.883 38.000 -0.096 0.000 1.387 95 I HN 0.291 nan 8.210 nan 0.000 0.478 96 I N 5.610 126.195 120.570 0.025 0.000 2.608 96 I HA 0.330 4.500 4.170 -0.001 0.000 0.295 96 I C -0.393 175.748 176.117 0.040 0.000 1.049 96 I CA -0.763 60.545 61.300 0.013 0.000 1.063 96 I CB 1.997 39.990 38.000 -0.012 0.000 1.248 96 I HN 0.620 nan 8.210 nan 0.000 0.424 97 N N 4.022 122.743 118.700 0.034 0.000 2.566 97 N HA 0.202 4.941 4.740 -0.001 0.000 0.299 97 N C 0.590 176.113 175.510 0.022 0.000 1.277 97 N CA -0.773 52.306 53.050 0.047 0.000 0.965 97 N CB 0.355 38.868 38.487 0.044 0.000 1.142 97 N HN 0.363 nan 8.380 nan 0.000 0.596 98 V N -0.260 119.669 119.914 0.026 0.000 2.407 98 V HA -0.107 4.012 4.120 -0.001 0.000 0.248 98 V C 1.624 177.717 176.094 -0.002 0.000 1.055 98 V CA 1.767 64.074 62.300 0.011 0.000 1.049 98 V CB -0.873 30.962 31.823 0.021 0.000 0.662 98 V HN 0.657 nan 8.190 nan 0.000 0.455 99 I N -1.730 118.843 120.570 0.005 0.000 3.749 99 I HA 0.445 4.614 4.170 -0.001 0.000 0.314 99 I C 1.440 177.552 176.117 -0.009 0.000 1.267 99 I CA 0.726 62.026 61.300 0.000 0.000 1.169 99 I CB -0.679 37.326 38.000 0.008 0.000 1.009 99 I HN 0.377 nan 8.210 nan 0.000 0.444 100 G N 1.065 109.857 108.800 -0.013 0.000 2.179 100 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.260 100 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.260 100 G C -0.034 174.854 174.900 -0.019 0.000 0.977 100 G CA 0.134 45.220 45.100 -0.024 0.000 0.641 100 G HN 0.652 nan 8.290 nan 0.000 0.533 101 E N 2.048 122.243 120.200 -0.009 0.000 2.373 101 E HA 0.346 4.695 4.350 -0.001 0.000 0.267 101 E C -2.065 174.532 176.600 -0.005 0.000 1.032 101 E CA -1.422 54.974 56.400 -0.007 0.000 0.889 101 E CB 0.949 30.648 29.700 -0.001 0.000 0.984 101 E HN 0.245 nan 8.360 nan 0.000 0.425 102 P HA 0.018 nan 4.420 nan 0.000 0.271 102 P C -0.034 177.260 177.300 -0.009 0.000 1.216 102 P CA 0.372 63.467 63.100 -0.009 0.000 0.771 102 P CB 0.331 32.025 31.700 -0.010 0.000 0.864 103 I N -0.470 120.091 120.570 -0.014 0.000 3.707 103 I HA 0.291 4.461 4.170 -0.001 0.000 0.330 103 I C 0.055 176.141 176.117 -0.053 0.000 1.572 103 I CA -0.309 60.978 61.300 -0.021 0.000 1.104 103 I CB -0.001 37.996 38.000 -0.005 0.000 1.240 103 I HN 0.046 nan 8.210 nan 0.000 0.475 104 D N 0.118 120.485 120.400 -0.056 0.000 2.469 104 D HA 0.040 4.679 4.640 -0.001 0.000 0.215 104 D C 0.429 176.724 176.300 -0.010 0.000 1.154 104 D CA -0.226 53.730 54.000 -0.074 0.000 0.832 104 D CB -0.099 40.623 40.800 -0.129 0.000 1.008 104 D HN 0.438 nan 8.370 nan 0.000 0.506 105 E N 0.132 120.328 120.200 -0.005 0.000 2.539 105 E HA -0.255 4.094 4.350 -0.001 0.000 0.253 105 E C 0.128 176.738 176.600 0.017 0.000 1.145 105 E CA 0.348 56.752 56.400 0.007 0.000 0.738 105 E CB -1.038 28.669 29.700 0.011 0.000 1.308 105 E HN 0.445 nan 8.360 nan 0.000 0.409 106 R N 0.126 120.637 120.500 0.018 0.000 2.515 106 R HA 0.292 4.631 4.340 -0.001 0.000 0.294 106 R C 0.914 177.223 176.300 0.015 0.000 1.021 106 R CA 0.350 56.465 56.100 0.025 0.000 1.081 106 R CB 0.933 31.258 30.300 0.040 0.000 1.263 106 R HN 0.299 nan 8.270 nan 0.000 0.557 107 G N 2.462 111.267 108.800 0.009 0.000 2.698 107 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.225 107 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.225 107 G C -2.726 172.174 174.900 0.000 0.000 1.345 107 G CA -1.109 43.994 45.100 0.004 0.000 0.871 107 G HN 0.105 nan 8.290 nan 0.000 0.540 108 P HA 0.544 nan 4.420 nan 0.000 0.278 108 P C -0.195 177.099 177.300 -0.011 0.000 1.238 108 P CA -0.491 62.604 63.100 -0.008 0.000 0.794 108 P CB 0.764 32.459 31.700 -0.009 0.000 0.955 109 I N 2.646 123.205 120.570 -0.018 0.000 2.372 109 I HA 0.061 4.230 4.170 -0.001 0.000 0.298 109 I C 1.327 177.426 176.117 -0.030 0.000 1.137 109 I CA 0.361 61.646 61.300 -0.025 0.000 1.314 109 I CB -0.516 37.463 38.000 -0.034 0.000 1.444 109 I HN 0.046 nan 8.210 nan 0.000 0.541 110 K N 4.203 124.589 120.400 -0.023 0.000 2.652 110 K HA 0.058 4.378 4.320 -0.001 0.000 0.239 110 K C 0.626 177.206 176.600 -0.034 0.000 1.235 110 K CA -0.058 56.215 56.287 -0.023 0.000 1.191 110 K CB -0.137 32.355 32.500 -0.013 0.000 1.348 110 K HN 0.588 nan 8.250 nan 0.000 0.239 111 S N 0.679 116.348 115.700 -0.052 0.000 2.603 111 S HA 0.070 4.539 4.470 -0.001 0.000 0.268 111 S C 1.224 175.781 174.600 -0.072 0.000 1.317 111 S CA -0.385 57.768 58.200 -0.079 0.000 1.012 111 S CB 1.281 64.409 63.200 -0.120 0.000 0.926 111 S HN 0.503 nan 8.310 nan 0.000 0.539 112 K N 1.595 121.945 120.400 -0.084 0.000 2.166 112 K HA 0.241 4.560 4.320 -0.001 0.000 0.201 112 K C -0.017 176.540 176.600 -0.073 0.000 1.052 112 K CA 0.644 56.897 56.287 -0.057 0.000 0.969 112 K CB 0.021 32.505 32.500 -0.025 0.000 0.761 112 K HN 0.617 nan 8.250 nan 0.000 0.459 113 L N 0.681 121.822 121.223 -0.137 0.000 2.309 113 L HA 0.472 4.811 4.340 -0.001 0.000 0.261 113 L C -0.581 176.189 176.870 -0.167 0.000 1.021 113 L CA -1.146 53.614 54.840 -0.133 0.000 0.823 113 L CB 2.147 44.128 42.059 -0.130 0.000 1.366 113 L HN -0.079 nan 8.230 nan 0.000 0.423 114 R N 1.137 121.568 120.500 -0.116 0.000 2.711 114 R HA 0.602 4.941 4.340 -0.001 0.000 0.284 114 R C -1.164 175.082 176.300 -0.090 0.000 0.968 114 R CA -1.037 54.995 56.100 -0.113 0.000 0.924 114 R CB 2.165 32.421 30.300 -0.073 0.000 1.162 114 R HN 0.343 nan 8.270 nan 0.000 0.465 115 K N 2.354 122.699 120.400 -0.091 0.000 2.328 115 K HA 0.445 4.765 4.320 -0.001 0.000 0.246 115 K C -2.589 173.988 176.600 -0.039 0.000 0.955 115 K CA -2.118 54.139 56.287 -0.050 0.000 0.817 115 K CB 2.319 34.797 32.500 -0.037 0.000 1.208 115 K HN 0.376 nan 8.250 nan 0.000 0.432 116 P HA 0.125 nan 4.420 nan 0.000 0.271 116 P C 0.888 178.170 177.300 -0.030 0.000 1.216 116 P CA -0.172 62.925 63.100 -0.004 0.000 0.776 116 P CB 0.413 32.130 31.700 0.029 0.000 0.881 117 I N -0.860 119.664 120.570 -0.077 0.000 2.928 117 I HA 0.046 4.215 4.170 -0.001 0.000 0.266 117 I C 0.410 176.369 176.117 -0.264 0.000 1.234 117 I CA 0.619 61.811 61.300 -0.180 0.000 1.483 117 I CB -0.615 37.238 38.000 -0.245 0.000 1.097 117 I HN 0.225 nan 8.210 nan 0.000 0.455 118 H N 2.666 121.735 119.070 -0.002 0.000 2.519 118 H HA 0.787 5.342 4.556 -0.001 0.000 0.316 118 H C -0.522 174.805 175.328 -0.002 0.000 1.065 118 H CA -0.245 55.803 56.048 0.001 0.000 1.264 118 H CB 1.588 31.351 29.762 0.002 0.000 1.413 118 H HN 0.408 nan 8.280 nan 0.000 0.465 119 A N 3.461 126.342 122.820 0.101 0.000 2.594 119 A HA 0.319 4.638 4.320 -0.001 0.000 0.295 119 A C -0.941 176.671 177.584 0.046 0.000 1.071 119 A CA -0.973 51.098 52.037 0.057 0.000 0.685 119 A CB 1.521 20.537 19.000 0.027 0.000 1.285 119 A HN 0.516 nan 8.150 nan 0.000 0.405 120 D N 1.856 122.276 120.400 0.034 0.000 2.341 120 D HA 0.478 5.117 4.640 -0.001 0.000 0.245 120 D C -2.189 174.124 176.300 0.020 0.000 1.106 120 D CA -0.489 53.528 54.000 0.028 0.000 0.905 120 D CB 0.509 41.323 40.800 0.023 0.000 1.202 120 D HN 0.232 nan 8.370 nan 0.000 0.426 121 P HA 0.189 nan 4.420 nan 0.000 0.269 121 P C -2.466 174.843 177.300 0.014 0.000 1.215 121 P CA -0.902 62.207 63.100 0.014 0.000 0.780 121 P CB -0.298 31.416 31.700 0.023 0.000 0.898 122 P HA -0.018 nan 4.420 nan 0.000 0.264 122 P C 0.201 177.510 177.300 0.015 0.000 1.183 122 P CA 0.256 63.356 63.100 -0.000 0.000 0.763 122 P CB 0.225 31.914 31.700 -0.018 0.000 0.807 123 S N 2.658 118.371 115.700 0.022 0.000 2.560 123 S HA -0.073 4.397 4.470 -0.001 0.000 0.276 123 S C 1.060 175.699 174.600 0.066 0.000 1.350 123 S CA -0.386 57.847 58.200 0.055 0.000 1.024 123 S CB -0.268 62.962 63.200 0.050 0.000 0.864 123 S HN 0.433 nan 8.310 nan 0.000 0.536 124 F N 3.816 123.764 119.950 -0.004 0.000 2.091 124 F HA -0.130 4.397 4.527 -0.001 0.000 0.299 124 F C 2.198 177.994 175.800 -0.007 0.000 1.103 124 F CA 2.235 60.232 58.000 -0.005 0.000 1.228 124 F CB -0.939 38.058 39.000 -0.004 0.000 0.984 124 F HN 0.682 nan 8.300 nan 0.000 0.477 125 A N -0.417 122.407 122.820 0.007 0.000 2.067 125 A HA -0.124 4.196 4.320 -0.001 0.000 0.219 125 A C 1.998 179.500 177.584 -0.136 0.000 1.158 125 A CA 1.477 53.462 52.037 -0.086 0.000 0.661 125 A CB -0.774 18.265 19.000 0.063 0.000 0.801 125 A HN 0.597 nan 8.150 nan 0.000 0.452 126 E N 0.021 120.161 120.200 -0.099 0.000 2.427 126 E HA -0.032 4.317 4.350 -0.001 0.000 0.196 126 E C 0.108 176.636 176.600 -0.120 0.000 1.028 126 E CA -0.022 56.326 56.400 -0.086 0.000 0.864 126 E CB 0.103 29.776 29.700 -0.046 0.000 0.813 126 E HN 0.579 nan 8.360 nan 0.000 0.514 127 Q N 0.764 120.449 119.800 -0.192 0.000 2.327 127 Q HA 0.099 4.439 4.340 -0.001 0.000 0.254 127 Q C -0.056 175.837 176.000 -0.179 0.000 0.952 127 Q CA -0.009 55.681 55.803 -0.188 0.000 0.884 127 Q CB 1.566 30.151 28.738 -0.254 0.000 1.224 127 Q HN -0.019 nan 8.270 nan 0.000 0.422 128 S N 0.737 116.361 115.700 -0.126 0.000 2.562 128 S HA 0.043 4.512 4.470 -0.001 0.000 0.281 128 S C 1.113 175.646 174.600 -0.112 0.000 1.333 128 S CA 0.165 58.302 58.200 -0.105 0.000 1.052 128 S CB 0.403 63.555 63.200 -0.079 0.000 0.884 128 S HN 0.675 nan 8.310 nan 0.000 0.506 129 T N 1.226 115.722 114.554 -0.098 0.000 3.065 129 T HA 0.269 4.618 4.350 -0.001 0.000 0.252 129 T C 0.287 174.951 174.700 -0.060 0.000 1.099 129 T CA -0.197 61.850 62.100 -0.089 0.000 1.063 129 T CB 0.015 68.836 68.868 -0.079 0.000 0.948 129 T HN 0.350 nan 8.240 nan 0.000 0.506 130 S N 1.299 116.966 115.700 -0.054 0.000 2.561 130 S HA 0.748 5.218 4.470 -0.001 0.000 0.303 130 S C -0.072 174.502 174.600 -0.043 0.000 1.110 130 S CA -0.980 57.194 58.200 -0.043 0.000 1.034 130 S CB 1.538 64.715 63.200 -0.039 0.000 1.010 130 S HN 0.675 nan 8.310 nan 0.000 0.482 131 A N 3.159 125.957 122.820 -0.038 0.000 2.540 131 A HA 0.444 4.763 4.320 -0.001 0.000 0.239 131 A C 0.428 177.991 177.584 -0.036 0.000 1.061 131 A CA 0.008 52.024 52.037 -0.035 0.000 0.758 131 A CB -0.049 18.934 19.000 -0.029 0.000 0.991 131 A HN 0.838 nan 8.150 nan 0.000 0.502 132 E N 1.955 122.133 120.200 -0.036 0.000 2.383 132 E HA 0.548 4.898 4.350 -0.001 0.000 0.275 132 E C -1.236 175.347 176.600 -0.028 0.000 0.918 132 E CA -1.046 55.333 56.400 -0.035 0.000 0.764 132 E CB 0.936 30.611 29.700 -0.041 0.000 1.252 132 E HN 0.329 nan 8.360 nan 0.000 0.449 133 I N 2.050 122.607 120.570 -0.022 0.000 2.529 133 I HA 0.092 4.262 4.170 -0.001 0.000 0.284 133 I C 0.108 176.217 176.117 -0.013 0.000 1.082 133 I CA -0.547 60.752 61.300 -0.002 0.000 1.406 133 I CB 0.359 38.362 38.000 0.005 0.000 1.405 133 I HN 0.576 nan 8.210 nan 0.000 0.548 134 L N 6.731 127.961 121.223 0.013 0.000 2.268 134 L HA 0.250 4.589 4.340 -0.001 0.000 0.289 134 L C 0.553 177.454 176.870 0.051 0.000 1.064 134 L CA -0.033 54.800 54.840 -0.011 0.000 0.824 134 L CB 0.280 42.349 42.059 0.016 0.000 1.202 134 L HN 0.575 nan 8.230 nan 0.000 0.433 135 E N 2.140 122.403 120.200 0.105 0.000 2.351 135 E HA -0.002 4.348 4.350 -0.001 0.000 0.266 135 E C 0.535 177.216 176.600 0.135 0.000 1.031 135 E CA 0.515 56.997 56.400 0.137 0.000 0.911 135 E CB 0.767 30.577 29.700 0.183 0.000 0.986 135 E HN 0.801 nan 8.360 nan 0.000 0.446 136 T N 1.112 115.643 114.554 -0.039 0.000 3.037 136 T HA 0.221 4.570 4.350 -0.001 0.000 0.252 136 T C 1.442 176.050 174.700 -0.154 0.000 1.073 136 T CA 0.392 62.413 62.100 -0.131 0.000 1.091 136 T CB 0.252 68.936 68.868 -0.307 0.000 0.935 136 T HN 0.696 nan 8.240 nan 0.000 0.488 137 G N 1.557 110.287 108.800 -0.117 0.000 2.159 137 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.256 137 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.256 137 G C -0.011 174.837 174.900 -0.088 0.000 0.977 137 G CA 0.155 45.191 45.100 -0.107 0.000 0.652 137 G HN 0.661 nan 8.290 nan 0.000 0.531 138 I N 0.688 121.198 120.570 -0.101 0.000 2.321 138 I HA 0.275 4.445 4.170 -0.001 0.000 0.291 138 I C 1.573 177.682 176.117 -0.013 0.000 0.998 138 I CA -0.870 60.422 61.300 -0.012 0.000 1.227 138 I CB 1.409 39.406 38.000 -0.005 0.000 1.368 138 I HN -0.035 nan 8.210 nan 0.000 0.466 139 K N 3.585 123.987 120.400 0.004 0.000 2.001 139 K HA -0.169 4.151 4.320 -0.001 0.000 0.214 139 K C 1.758 178.287 176.600 -0.118 0.000 1.050 139 K CA 1.546 57.790 56.287 -0.073 0.000 0.934 139 K CB -0.184 32.269 32.500 -0.077 0.000 0.718 139 K HN 0.534 nan 8.250 nan 0.000 0.443 140 V N 1.063 120.946 119.914 -0.052 0.000 2.332 140 V HA -0.229 3.890 4.120 -0.001 0.000 0.248 140 V C 2.366 178.435 176.094 -0.041 0.000 1.055 140 V CA 1.617 63.878 62.300 -0.065 0.000 1.038 140 V CB -0.665 31.171 31.823 0.022 0.000 0.651 140 V HN 0.085 nan 8.190 nan 0.000 0.450 141 V N 0.431 120.347 119.914 0.002 0.000 2.244 141 V HA -0.234 3.885 4.120 -0.001 0.000 0.244 141 V C 2.371 178.440 176.094 -0.042 0.000 1.042 141 V CA 2.316 64.606 62.300 -0.017 0.000 1.006 141 V CB -0.776 30.973 31.823 -0.123 0.000 0.641 141 V HN 0.490 nan 8.190 nan 0.000 0.446 142 D N -0.288 120.072 120.400 -0.067 0.000 2.182 142 D HA -0.146 4.494 4.640 -0.001 0.000 0.201 142 D C 1.838 178.172 176.300 0.057 0.000 0.986 142 D CA 1.177 55.170 54.000 -0.012 0.000 0.847 142 D CB -0.105 40.676 40.800 -0.032 0.000 0.942 142 D HN 0.340 nan 8.370 nan 0.000 0.467 143 L N -0.446 120.739 121.223 -0.063 0.000 2.145 143 L HA 0.094 4.433 4.340 -0.001 0.000 0.201 143 L C 1.947 178.823 176.870 0.011 0.000 1.075 143 L CA 1.180 55.944 54.840 -0.126 0.000 0.773 143 L CB -0.098 41.719 42.059 -0.402 0.000 0.936 143 L HN -0.046 nan 8.230 nan 0.000 0.451 144 L N -1.094 120.104 121.223 -0.042 0.000 2.316 144 L HA 0.325 4.665 4.340 -0.001 0.000 0.207 144 L C 0.911 177.802 176.870 0.035 0.000 1.070 144 L CA 0.586 55.412 54.840 -0.022 0.000 0.820 144 L CB -0.155 41.866 42.059 -0.064 0.000 0.992 144 L HN 0.207 nan 8.230 nan 0.000 0.466 145 A N 0.523 123.381 122.820 0.063 0.000 3.355 145 A HA 0.418 4.737 4.320 -0.001 0.000 0.290 145 A C -2.559 175.126 177.584 0.168 0.000 0.973 145 A CA -0.977 51.127 52.037 0.111 0.000 0.933 145 A CB -0.336 18.741 19.000 0.128 0.000 1.138 145 A HN -0.114 nan 8.150 nan 0.000 0.490 146 P HA 0.018 nan 4.420 nan 0.000 0.265 146 P C -0.773 176.687 177.300 0.267 0.000 1.193 146 P CA 0.482 63.661 63.100 0.131 0.000 0.765 146 P CB 0.375 32.117 31.700 0.070 0.000 0.823 147 Y N 1.213 121.532 120.300 0.033 0.000 2.511 147 Y HA 0.209 4.759 4.550 -0.001 0.000 0.332 147 Y C 1.355 177.248 175.900 -0.012 0.000 1.177 147 Y CA -1.154 56.954 58.100 0.013 0.000 1.422 147 Y CB -0.385 38.081 38.460 0.010 0.000 1.271 147 Y HN 0.402 nan 8.280 nan 0.000 0.550 148 A N 5.218 128.102 122.820 0.107 0.000 2.409 148 A HA 0.290 4.609 4.320 -0.001 0.000 0.262 148 A C 0.617 178.207 177.584 0.009 0.000 1.113 148 A CA -0.704 51.351 52.037 0.030 0.000 0.790 148 A CB -0.023 18.972 19.000 -0.008 0.000 1.046 148 A HN 0.822 nan 8.150 nan 0.000 0.496 149 R N 2.024 122.516 120.500 -0.013 0.000 2.421 149 R HA 0.335 4.674 4.340 -0.001 0.000 0.305 149 R C 1.200 177.469 176.300 -0.053 0.000 1.039 149 R CA 1.349 57.422 56.100 -0.044 0.000 1.003 149 R CB -0.154 30.105 30.300 -0.069 0.000 0.959 149 R HN 1.665 nan 8.270 nan 0.000 0.427 150 G N 2.570 111.333 108.800 -0.062 0.000 2.162 150 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.260 150 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.260 150 G C 0.277 175.137 174.900 -0.067 0.000 0.976 150 G CA 0.050 45.111 45.100 -0.064 0.000 0.655 150 G HN 0.929 nan 8.290 nan 0.000 0.533 151 G N -0.882 107.874 108.800 -0.073 0.000 2.568 151 G HA2 0.682 4.642 3.960 -0.001 0.000 0.293 151 G HA3 0.682 4.642 3.960 -0.001 0.000 0.293 151 G C -0.454 174.369 174.900 -0.128 0.000 1.347 151 G CA -0.584 44.467 45.100 -0.082 0.000 1.039 151 G HN 0.373 nan 8.290 nan 0.000 0.523 152 K N -0.958 119.360 120.400 -0.137 0.000 2.378 152 K HA 0.612 4.932 4.320 -0.001 0.000 0.252 152 K C -1.203 175.261 176.600 -0.226 0.000 0.931 152 K CA -0.277 55.901 56.287 -0.181 0.000 0.794 152 K CB 2.296 34.717 32.500 -0.132 0.000 1.181 152 K HN 0.235 nan 8.250 nan 0.000 0.425 153 I N 1.347 121.734 120.570 -0.305 0.000 2.436 153 I HA 0.348 4.517 4.170 -0.001 0.000 0.289 153 I C 0.314 176.290 176.117 -0.235 0.000 1.010 153 I CA -0.442 60.656 61.300 -0.337 0.000 1.098 153 I CB 2.198 39.773 38.000 -0.708 0.000 1.266 153 I HN 0.648 nan 8.210 nan 0.000 0.434 154 G N 6.154 114.856 108.800 -0.164 0.000 2.360 154 G HA2 0.440 4.399 3.960 -0.001 0.000 0.279 154 G HA3 0.440 4.399 3.960 -0.001 0.000 0.279 154 G C -0.801 174.053 174.900 -0.077 0.000 1.189 154 G CA -0.266 44.714 45.100 -0.200 0.000 0.941 154 G HN 0.455 nan 8.290 nan 0.000 0.445 155 L N 3.712 124.822 121.223 -0.188 0.000 2.257 155 L HA 0.662 5.001 4.340 -0.001 0.000 0.290 155 L C -1.147 175.616 176.870 -0.178 0.000 1.044 155 L CA -0.869 53.950 54.840 -0.034 0.000 0.810 155 L CB 0.241 42.338 42.059 0.064 0.000 1.193 155 L HN 0.337 nan 8.230 nan 0.000 0.425 156 F N 3.643 123.601 119.950 0.012 0.000 2.469 156 F HA 0.837 5.364 4.527 -0.000 0.000 0.332 156 F C 0.814 176.625 175.800 0.019 0.000 1.103 156 F CA -0.264 57.753 58.000 0.028 0.000 0.979 156 F CB 2.067 41.085 39.000 0.030 0.000 1.137 156 F HN 0.653 nan 8.300 nan 0.000 0.463 157 G N 1.034 109.955 108.800 0.200 0.000 2.653 157 G HA2 0.398 4.358 3.960 -0.001 0.000 0.656 157 G HA3 0.398 4.358 3.960 -0.001 0.000 0.656 157 G C -0.365 174.602 174.900 0.112 0.000 1.419 157 G CA -0.582 44.598 45.100 0.133 0.000 0.862 157 G HN 1.043 nan 8.290 nan 0.000 0.639 158 G N 0.333 109.196 108.800 0.106 0.000 3.286 158 G HA2 0.866 4.825 3.960 -0.001 0.000 0.173 158 G HA3 0.866 4.825 3.960 -0.001 0.000 0.173 158 G C 0.946 175.898 174.900 0.087 0.000 1.704 158 G CA 0.796 45.957 45.100 0.101 0.000 1.041 158 G HN 2.032 nan 8.290 nan 0.000 0.561 159 A N -2.229 120.637 122.820 0.077 0.000 2.257 159 A HA 0.573 4.893 4.320 -0.001 0.000 0.289 159 A C 1.344 178.966 177.584 0.064 0.000 1.095 159 A CA 0.735 52.813 52.037 0.068 0.000 0.836 159 A CB -0.066 18.969 19.000 0.059 0.000 1.111 159 A HN 2.372 nan 8.150 nan 0.000 0.497 160 G N -1.645 107.193 108.800 0.063 0.000 2.198 160 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.260 160 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.260 160 G C 0.424 175.371 174.900 0.079 0.000 1.025 160 G CA 1.105 46.245 45.100 0.067 0.000 0.769 160 G HN 2.158 nan 8.290 nan 0.000 0.507 161 V N -4.040 115.926 119.914 0.087 0.000 3.276 161 V HA 0.682 4.801 4.120 -0.001 0.000 0.319 161 V C 1.588 177.766 176.094 0.140 0.000 1.476 161 V CA 0.625 62.977 62.300 0.087 0.000 1.097 161 V CB 0.085 31.937 31.823 0.048 0.000 0.988 161 V HN 2.099 nan 8.190 nan 0.000 0.473 162 G N 1.767 110.660 108.800 0.155 0.000 2.295 162 G HA2 -0.349 3.611 3.960 -0.001 0.000 0.287 162 G HA3 -0.349 3.611 3.960 -0.001 0.000 0.287 162 G C 0.780 175.800 174.900 0.200 0.000 1.055 162 G CA 1.050 46.253 45.100 0.171 0.000 0.922 162 G HN 0.634 nan 8.290 nan 0.000 0.503 163 K N -0.455 120.039 120.400 0.156 0.000 2.002 163 K HA -0.135 4.184 4.320 -0.001 0.000 0.209 163 K C 2.950 179.684 176.600 0.223 0.000 1.048 163 K CA 2.191 58.590 56.287 0.187 0.000 0.930 163 K CB -0.303 32.283 32.500 0.143 0.000 0.714 163 K HN 0.588 nan 8.250 nan 0.000 0.438 164 T N -1.343 113.289 114.554 0.131 0.000 2.821 164 T HA -0.079 4.271 4.350 -0.001 0.000 0.267 164 T C 1.983 176.719 174.700 0.060 0.000 1.046 164 T CA 1.212 63.352 62.100 0.066 0.000 1.139 164 T CB -0.483 68.387 68.868 0.002 0.000 0.871 164 T HN -0.016 nan 8.240 nan 0.000 0.454 165 V N 0.708 120.678 119.914 0.094 0.000 2.407 165 V HA -0.034 4.085 4.120 -0.001 0.000 0.248 165 V C 2.150 178.386 176.094 0.236 0.000 1.055 165 V CA 1.602 63.977 62.300 0.126 0.000 1.049 165 V CB -0.977 30.906 31.823 0.100 0.000 0.662 165 V HN 0.447 nan 8.190 nan 0.000 0.455 166 F N 0.531 120.595 119.950 0.191 0.000 2.102 166 F HA -0.186 4.341 4.527 -0.001 0.000 0.298 166 F C 2.120 177.979 175.800 0.099 0.000 1.105 166 F CA 1.744 59.875 58.000 0.218 0.000 1.239 166 F CB -0.196 38.960 39.000 0.259 0.000 0.991 166 F HN 0.039 nan 8.300 nan 0.000 0.474 167 I N 0.126 120.827 120.570 0.218 0.000 2.163 167 I HA -0.369 3.800 4.170 -0.001 0.000 0.243 167 I C 2.397 178.394 176.117 -0.199 0.000 1.085 167 I CA 1.722 63.008 61.300 -0.023 0.000 1.347 167 I CB -0.653 37.258 38.000 -0.148 0.000 1.044 167 I HN 0.236 nan 8.210 nan 0.000 0.408 168 Q N -0.065 119.646 119.800 -0.147 0.000 2.226 168 Q HA -0.269 4.070 4.340 -0.001 0.000 0.204 168 Q C 2.038 177.949 176.000 -0.148 0.000 0.975 168 Q CA 1.478 57.200 55.803 -0.134 0.000 0.866 168 Q CB -0.056 28.637 28.738 -0.074 0.000 0.915 168 Q HN 0.370 nan 8.270 nan 0.000 0.440 169 E N 0.639 120.690 120.200 -0.248 0.000 2.152 169 E HA -0.101 4.249 4.350 -0.001 0.000 0.192 169 E C 1.646 178.015 176.600 -0.385 0.000 0.983 169 E CA 0.636 56.778 56.400 -0.431 0.000 0.818 169 E CB -0.027 29.077 29.700 -0.992 0.000 0.758 169 E HN 0.281 nan 8.360 nan 0.000 0.467 170 L N 0.115 121.145 121.223 -0.321 0.000 2.046 170 L HA -0.138 4.201 4.340 -0.001 0.000 0.208 170 L C 2.392 179.274 176.870 0.020 0.000 1.077 170 L CA 1.056 55.816 54.840 -0.132 0.000 0.747 170 L CB -0.430 41.678 42.059 0.082 0.000 0.896 170 L HN 0.206 nan 8.230 nan 0.000 0.432 171 I N 0.093 120.708 120.570 0.074 0.000 2.194 171 I HA -0.350 3.820 4.170 -0.001 0.000 0.246 171 I C 2.306 178.430 176.117 0.011 0.000 1.093 171 I CA 1.766 63.123 61.300 0.094 0.000 1.355 171 I CB -0.449 37.576 38.000 0.043 0.000 1.046 171 I HN 0.372 nan 8.210 nan 0.000 0.413 172 N N 0.962 119.629 118.700 -0.056 0.000 2.171 172 N HA -0.147 4.592 4.740 -0.001 0.000 0.184 172 N C 1.591 177.042 175.510 -0.098 0.000 1.021 172 N CA 1.405 54.413 53.050 -0.072 0.000 0.854 172 N CB -0.044 38.386 38.487 -0.094 0.000 0.994 172 N HN 0.167 nan 8.380 nan 0.000 0.426 173 N N 0.086 118.702 118.700 -0.139 0.000 2.216 173 N HA -0.016 4.723 4.740 -0.001 0.000 0.183 173 N C 1.305 176.722 175.510 -0.155 0.000 1.017 173 N CA 0.545 53.496 53.050 -0.166 0.000 0.861 173 N CB -0.176 38.181 38.487 -0.216 0.000 0.986 173 N HN 0.247 nan 8.380 nan 0.000 0.428 174 I N 1.077 121.599 120.570 -0.081 0.000 2.315 174 I HA -0.088 4.081 4.170 -0.001 0.000 0.248 174 I C 2.142 178.217 176.117 -0.070 0.000 1.117 174 I CA 0.473 61.762 61.300 -0.018 0.000 1.404 174 I CB -1.502 36.539 38.000 0.069 0.000 1.071 174 I HN 0.012 nan 8.210 nan 0.000 0.419 175 A N 0.410 123.179 122.820 -0.084 0.000 1.873 175 A HA -0.159 4.161 4.320 -0.001 0.000 0.215 175 A C 2.315 179.814 177.584 -0.141 0.000 1.186 175 A CA 1.283 53.242 52.037 -0.131 0.000 0.616 175 A CB -0.311 18.641 19.000 -0.080 0.000 0.823 175 A HN 0.198 nan 8.150 nan 0.000 0.442 176 K N -0.341 119.982 120.400 -0.128 0.000 2.103 176 K HA 0.074 4.394 4.320 -0.001 0.000 0.204 176 K C 2.181 178.679 176.600 -0.169 0.000 1.052 176 K CA 1.236 57.447 56.287 -0.127 0.000 0.945 176 K CB -0.447 31.989 32.500 -0.106 0.000 0.722 176 K HN 0.444 nan 8.250 nan 0.000 0.443 177 A N 0.610 123.274 122.820 -0.260 0.000 1.903 177 A HA -0.069 4.250 4.320 -0.001 0.000 0.213 177 A C 1.436 178.746 177.584 -0.457 0.000 1.185 177 A CA 0.924 52.711 52.037 -0.417 0.000 0.628 177 A CB -0.229 18.395 19.000 -0.626 0.000 0.830 177 A HN 0.245 nan 8.150 nan 0.000 0.446 178 H N -1.445 117.569 119.070 -0.092 0.000 2.755 178 H HA 0.281 4.836 4.556 -0.001 0.000 0.273 178 H C 1.296 176.543 175.328 -0.136 0.000 1.055 178 H CA 0.121 56.111 56.048 -0.097 0.000 1.191 178 H CB 0.030 29.741 29.762 -0.086 0.000 1.536 178 H HN 0.570 nan 8.280 nan 0.000 0.529 179 G N 1.484 110.225 108.800 -0.099 0.000 2.323 179 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.292 179 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.292 179 G C 0.522 175.221 174.900 -0.335 0.000 1.040 179 G CA 0.445 45.418 45.100 -0.212 0.000 0.942 179 G HN 0.695 nan 8.290 nan 0.000 0.506 180 G N -1.105 107.522 108.800 -0.288 0.000 2.452 180 G HA2 0.724 4.684 3.960 -0.001 0.000 0.324 180 G HA3 0.724 4.684 3.960 -0.001 0.000 0.324 180 G C -0.275 174.414 174.900 -0.350 0.000 1.214 180 G CA -1.026 43.879 45.100 -0.325 0.000 0.947 180 G HN 0.159 nan 8.290 nan 0.000 0.478 181 F N 0.509 120.325 119.950 -0.223 0.000 2.368 181 F HA 0.646 5.173 4.527 -0.001 0.000 0.308 181 F C 1.065 176.804 175.800 -0.101 0.000 1.198 181 F CA -0.384 57.452 58.000 -0.273 0.000 1.130 181 F CB 1.517 40.096 39.000 -0.703 0.000 1.300 181 F HN 0.292 nan 8.300 nan 0.000 0.537 182 S N -0.380 115.456 115.700 0.227 0.000 2.568 182 S HA 0.780 5.250 4.470 -0.001 0.000 0.293 182 S C -1.321 173.443 174.600 0.273 0.000 1.089 182 S CA -0.786 57.574 58.200 0.267 0.000 0.945 182 S CB 2.233 65.659 63.200 0.376 0.000 1.077 182 S HN 0.264 nan 8.310 nan 0.000 0.485 183 V N 2.484 122.577 119.914 0.298 0.000 2.531 183 V HA 0.529 4.648 4.120 -0.001 0.000 0.301 183 V C -1.293 174.980 176.094 0.298 0.000 1.034 183 V CA -0.672 61.775 62.300 0.245 0.000 0.865 183 V CB 1.341 33.270 31.823 0.176 0.000 0.995 183 V HN 0.839 nan 8.190 nan 0.000 0.424 184 F N 3.383 123.379 119.950 0.076 0.000 2.426 184 F HA 0.707 5.233 4.527 -0.001 0.000 0.348 184 F C 0.200 175.917 175.800 -0.138 0.000 1.124 184 F CA 0.017 58.034 58.000 0.029 0.000 1.008 184 F CB 1.698 40.639 39.000 -0.098 0.000 1.139 184 F HN 0.480 nan 8.300 nan 0.000 0.452 185 T N 4.955 119.175 114.554 -0.557 0.000 2.791 185 T HA 0.479 4.829 4.350 -0.001 0.000 0.288 185 T C 0.068 174.467 174.700 -0.502 0.000 0.999 185 T CA -0.643 61.214 62.100 -0.407 0.000 0.952 185 T CB 1.176 69.899 68.868 -0.242 0.000 0.938 185 T HN 0.869 nan 8.240 nan 0.000 0.444 186 G N 2.119 110.777 108.800 -0.236 0.000 2.393 186 G HA2 0.496 4.456 3.960 -0.001 0.000 0.311 186 G HA3 0.496 4.456 3.960 -0.001 0.000 0.311 186 G C -0.348 174.632 174.900 0.133 0.000 1.067 186 G CA -0.368 44.811 45.100 0.131 0.000 1.000 186 G HN 0.657 nan 8.290 nan 0.000 0.422 187 V N 2.937 122.894 119.914 0.072 0.000 2.318 187 V HA 0.568 4.688 4.120 -0.001 0.000 0.271 187 V C 1.227 177.388 176.094 0.111 0.000 1.030 187 V CA 0.560 62.913 62.300 0.088 0.000 0.844 187 V CB 0.594 32.462 31.823 0.074 0.000 1.015 187 V HN 1.343 nan 8.190 nan 0.000 0.460 188 G N 3.975 112.842 108.800 0.112 0.000 2.176 188 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.252 188 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.252 188 G C 0.077 175.041 174.900 0.106 0.000 1.024 188 G CA 0.405 45.560 45.100 0.091 0.000 0.755 188 G HN 0.840 nan 8.290 nan 0.000 0.507 189 E N 0.505 120.799 120.200 0.158 0.000 2.417 189 E HA 0.349 4.698 4.350 -0.001 0.000 0.261 189 E C 1.161 177.812 176.600 0.084 0.000 1.000 189 E CA -0.498 56.007 56.400 0.175 0.000 0.919 189 E CB 0.287 30.192 29.700 0.341 0.000 0.955 189 E HN 0.439 nan 8.360 nan 0.000 0.455 190 R N 3.694 124.227 120.500 0.056 0.000 2.485 190 R HA -0.060 4.280 4.340 -0.001 0.000 0.304 190 R C 0.927 177.203 176.300 -0.040 0.000 0.934 190 R CA 0.575 56.682 56.100 0.012 0.000 1.102 190 R CB 0.115 30.426 30.300 0.018 0.000 0.906 190 R HN 0.704 nan 8.270 nan 0.000 0.407 191 T N 2.575 117.092 114.554 -0.061 0.000 2.720 191 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 191 T C 1.779 176.410 174.700 -0.116 0.000 1.037 191 T CA 1.220 63.249 62.100 -0.119 0.000 1.144 191 T CB -0.128 68.690 68.868 -0.083 0.000 0.864 191 T HN 0.559 nan 8.240 nan 0.000 0.444 192 R N 0.952 121.416 120.500 -0.061 0.000 2.133 192 R HA -0.157 4.182 4.340 -0.001 0.000 0.247 192 R C 2.063 178.337 176.300 -0.043 0.000 1.151 192 R CA 1.704 57.780 56.100 -0.041 0.000 0.971 192 R CB -0.083 30.207 30.300 -0.016 0.000 0.866 192 R HN 0.528 nan 8.270 nan 0.000 0.447 193 E N -1.805 118.370 120.200 -0.043 0.000 2.318 193 E HA -0.002 4.348 4.350 -0.001 0.000 0.193 193 E C 1.720 178.287 176.600 -0.055 0.000 0.998 193 E CA 0.518 56.908 56.400 -0.016 0.000 0.859 193 E CB 0.260 29.982 29.700 0.036 0.000 0.812 193 E HN 0.525 nan 8.360 nan 0.000 0.492 194 G N 1.648 110.319 108.800 -0.215 0.000 2.394 194 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.215 194 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.215 194 G C 1.417 176.155 174.900 -0.270 0.000 1.165 194 G CA 0.440 45.223 45.100 -0.528 0.000 0.784 194 G HN 0.184 nan 8.290 nan 0.000 0.535 195 N N 0.828 119.424 118.700 -0.174 0.000 2.166 195 N HA -0.129 4.611 4.740 -0.001 0.000 0.186 195 N C 1.427 176.957 175.510 0.033 0.000 1.019 195 N CA 1.413 54.442 53.050 -0.035 0.000 0.856 195 N CB -0.141 38.326 38.487 -0.034 0.000 0.993 195 N HN 0.119 nan 8.380 nan 0.000 0.426 196 D N 0.871 121.274 120.400 0.005 0.000 2.144 196 D HA -0.117 4.523 4.640 -0.001 0.000 0.200 196 D C 1.994 178.313 176.300 0.031 0.000 0.978 196 D CA 0.391 54.404 54.000 0.022 0.000 0.833 196 D CB -0.217 40.593 40.800 0.016 0.000 0.961 196 D HN 0.249 nan 8.370 nan 0.000 0.470 197 L N -0.050 121.189 121.223 0.027 0.000 2.056 197 L HA -0.157 4.182 4.340 -0.001 0.000 0.207 197 L C 2.243 179.157 176.870 0.074 0.000 1.078 197 L CA 1.359 56.204 54.840 0.009 0.000 0.749 197 L CB -0.622 41.414 42.059 -0.038 0.000 0.901 197 L HN -0.022 nan 8.230 nan 0.000 0.433 198 Y N 0.372 120.666 120.300 -0.010 0.000 2.181 198 Y HA -0.231 4.318 4.550 -0.001 0.000 0.288 198 Y C 2.832 178.732 175.900 0.001 0.000 1.146 198 Y CA 2.002 60.110 58.100 0.013 0.000 1.164 198 Y CB -0.304 38.174 38.460 0.030 0.000 0.982 198 Y HN 0.180 nan 8.280 nan 0.000 0.515 199 R N 0.405 120.891 120.500 -0.024 0.000 2.148 199 R HA -0.164 4.176 4.340 -0.001 0.000 0.227 199 R C 2.132 178.388 176.300 -0.074 0.000 1.103 199 R CA 1.630 57.663 56.100 -0.111 0.000 0.983 199 R CB -0.231 30.054 30.300 -0.025 0.000 0.874 199 R HN 0.542 nan 8.270 nan 0.000 0.451 200 E N -0.206 119.987 120.200 -0.012 0.000 2.250 200 E HA -0.066 4.283 4.350 -0.001 0.000 0.192 200 E C 1.844 178.453 176.600 0.014 0.000 0.986 200 E CA 0.320 56.747 56.400 0.045 0.000 0.849 200 E CB 0.142 29.883 29.700 0.069 0.000 0.797 200 E HN 0.323 nan 8.360 nan 0.000 0.482 201 M N 0.258 119.835 119.600 -0.039 0.000 2.319 201 M HA -0.091 4.389 4.480 -0.001 0.000 0.265 201 M C 1.993 178.251 176.300 -0.070 0.000 1.068 201 M CA 1.205 56.477 55.300 -0.046 0.000 1.118 201 M CB 0.120 32.698 32.600 -0.036 0.000 1.395 201 M HN -0.038 nan 8.290 nan 0.000 0.435 202 K N 0.120 120.437 120.400 -0.139 0.000 2.062 202 K HA -0.104 4.216 4.320 -0.001 0.000 0.205 202 K C 1.704 178.245 176.600 -0.099 0.000 1.051 202 K CA 1.075 57.271 56.287 -0.152 0.000 0.941 202 K CB -0.058 32.287 32.500 -0.257 0.000 0.719 202 K HN 0.387 nan 8.250 nan 0.000 0.440 203 E N -0.009 120.141 120.200 -0.083 0.000 2.204 203 E HA -0.141 4.208 4.350 -0.001 0.000 0.194 203 E C 1.765 178.332 176.600 -0.054 0.000 0.989 203 E CA 1.100 57.450 56.400 -0.084 0.000 0.824 203 E CB 0.067 29.715 29.700 -0.087 0.000 0.756 203 E HN 0.136 nan 8.360 nan 0.000 0.477 204 T N -1.851 112.708 114.554 0.009 0.000 3.067 204 T HA 0.125 4.474 4.350 -0.001 0.000 0.257 204 T C 1.291 175.995 174.700 0.007 0.000 1.105 204 T CA 1.000 63.129 62.100 0.047 0.000 1.104 204 T CB 0.109 69.036 68.868 0.099 0.000 0.925 204 T HN 0.402 nan 8.240 nan 0.000 0.498 205 G N 0.282 109.072 108.800 -0.017 0.000 2.217 205 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.246 205 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.246 205 G C 1.230 176.124 174.900 -0.010 0.000 0.990 205 G CA 0.732 45.821 45.100 -0.018 0.000 0.627 205 G HN 1.092 nan 8.290 nan 0.000 0.522 206 V N -1.155 118.753 119.914 -0.009 0.000 2.759 206 V HA 0.412 4.532 4.120 -0.001 0.000 0.256 206 V C 1.265 177.362 176.094 0.005 0.000 1.080 206 V CA 1.455 63.754 62.300 -0.002 0.000 1.101 206 V CB -0.224 31.591 31.823 -0.013 0.000 0.698 206 V HN 0.487 nan 8.190 nan 0.000 0.477 207 I N 1.870 122.435 120.570 -0.009 0.000 2.433 207 I HA 0.498 4.668 4.170 -0.001 0.000 0.292 207 I C -0.693 175.410 176.117 -0.023 0.000 1.001 207 I CA -0.306 60.993 61.300 -0.003 0.000 1.119 207 I CB 1.685 39.689 38.000 0.008 0.000 1.289 207 I HN 0.143 nan 8.210 nan 0.000 0.438 208 N N 6.734 125.428 118.700 -0.009 0.000 2.549 208 N HA 0.336 5.076 4.740 -0.001 0.000 0.281 208 N C 0.356 175.863 175.510 -0.005 0.000 1.084 208 N CA -0.390 52.650 53.050 -0.016 0.000 0.862 208 N CB 1.636 40.118 38.487 -0.010 0.000 1.333 208 N HN 0.546 nan 8.380 nan 0.000 0.523 209 L N 1.920 123.137 121.223 -0.009 0.000 2.012 209 L HA -0.088 4.252 4.340 -0.001 0.000 0.210 209 L C 1.789 178.661 176.870 0.005 0.000 1.073 209 L CA 1.304 56.148 54.840 0.007 0.000 0.748 209 L CB -0.093 41.969 42.059 0.005 0.000 0.891 209 L HN 0.526 nan 8.230 nan 0.000 0.431 210 E N -0.141 120.057 120.200 -0.004 0.000 2.274 210 E HA -0.034 4.316 4.350 -0.001 0.000 0.194 210 E C 1.394 177.995 176.600 0.001 0.000 0.996 210 E CA 0.641 57.040 56.400 -0.002 0.000 0.840 210 E CB 0.100 29.796 29.700 -0.008 0.000 0.772 210 E HN 0.571 nan 8.360 nan 0.000 0.491 211 G N 0.536 109.337 108.800 0.001 0.000 3.414 211 G HA2 0.241 4.200 3.960 -0.001 0.000 0.189 211 G HA3 0.241 4.200 3.960 -0.001 0.000 0.189 211 G C -0.638 174.268 174.900 0.010 0.000 1.329 211 G CA -0.485 44.618 45.100 0.005 0.000 0.851 211 G HN -0.061 nan 8.290 nan 0.000 0.671 212 E N 0.235 120.445 120.200 0.015 0.000 2.187 212 E HA 0.536 4.885 4.350 -0.001 0.000 0.268 212 E C -0.895 175.718 176.600 0.021 0.000 0.896 212 E CA -0.342 56.071 56.400 0.022 0.000 0.766 212 E CB 2.096 31.824 29.700 0.046 0.000 1.142 212 E HN 0.216 nan 8.360 nan 0.000 0.408 213 S N 1.577 117.278 115.700 0.002 0.000 2.687 213 S HA 0.271 4.740 4.470 -0.001 0.000 0.283 213 S C 0.675 175.283 174.600 0.013 0.000 1.170 213 S CA -0.694 57.509 58.200 0.004 0.000 1.008 213 S CB 1.304 64.502 63.200 -0.002 0.000 1.026 213 S HN 0.426 nan 8.310 nan 0.000 0.541 214 K N 0.008 120.441 120.400 0.054 0.000 2.380 214 K HA 0.335 4.654 4.320 -0.001 0.000 0.198 214 K C -0.356 176.318 176.600 0.124 0.000 1.070 214 K CA 0.159 56.540 56.287 0.157 0.000 1.040 214 K CB 1.019 33.604 32.500 0.141 0.000 0.903 214 K HN 0.303 nan 8.250 nan 0.000 0.549 215 V N 0.420 120.366 119.914 0.053 0.000 2.925 215 V HA 0.707 4.826 4.120 -0.001 0.000 0.311 215 V C -1.797 174.335 176.094 0.063 0.000 1.104 215 V CA -0.874 61.476 62.300 0.083 0.000 0.954 215 V CB 1.879 33.757 31.823 0.092 0.000 1.022 215 V HN 0.099 nan 8.190 nan 0.000 0.427 216 A N 6.467 129.347 122.820 0.100 0.000 2.305 216 A HA 0.846 5.165 4.320 -0.001 0.000 0.322 216 A C -0.932 176.693 177.584 0.068 0.000 1.187 216 A CA -0.624 51.463 52.037 0.083 0.000 0.825 216 A CB 0.799 19.864 19.000 0.109 0.000 1.164 216 A HN 0.881 nan 8.150 nan 0.000 0.498 217 L N 2.919 124.154 121.223 0.020 0.000 2.282 217 L HA 0.527 4.867 4.340 -0.001 0.000 0.288 217 L C -0.878 175.897 176.870 -0.158 0.000 1.033 217 L CA -0.767 54.018 54.840 -0.091 0.000 0.807 217 L CB 1.581 43.605 42.059 -0.058 0.000 1.209 217 L HN 0.413 nan 8.230 nan 0.000 0.423 218 V N 3.568 123.321 119.914 -0.269 0.000 2.444 218 V HA 0.462 4.581 4.120 -0.001 0.000 0.294 218 V C -0.692 175.214 176.094 -0.313 0.000 1.022 218 V CA -0.437 61.747 62.300 -0.192 0.000 0.850 218 V CB 1.579 33.339 31.823 -0.105 0.000 0.992 218 V HN 0.372 nan 8.190 nan 0.000 0.426 219 F N 2.156 122.137 119.950 0.052 0.000 2.493 219 F HA 0.739 5.266 4.527 -0.001 0.000 0.329 219 F C 0.731 176.552 175.800 0.033 0.000 1.126 219 F CA -0.716 57.319 58.000 0.058 0.000 0.937 219 F CB 2.347 41.376 39.000 0.049 0.000 1.146 219 F HN 0.537 nan 8.300 nan 0.000 0.442 220 G N 3.383 112.331 108.800 0.247 0.000 3.205 220 G HA2 0.408 4.367 3.960 -0.001 0.000 0.343 220 G HA3 0.408 4.367 3.960 -0.001 0.000 0.343 220 G C -0.725 174.257 174.900 0.137 0.000 1.305 220 G CA -0.494 44.694 45.100 0.146 0.000 1.120 220 G HN 0.563 nan 8.290 nan 0.000 0.472 221 Q N 1.235 121.102 119.800 0.111 0.000 2.395 221 Q HA 0.136 4.476 4.340 -0.001 0.000 0.271 221 Q C 1.712 177.744 176.000 0.053 0.000 1.026 221 Q CA -0.062 55.784 55.803 0.071 0.000 0.900 221 Q CB 1.319 30.070 28.738 0.023 0.000 1.266 221 Q HN 0.558 nan 8.270 nan 0.000 0.430 222 M N 1.911 121.537 119.600 0.044 0.000 2.255 222 M HA -0.239 4.241 4.480 -0.001 0.000 0.259 222 M C 1.237 177.549 176.300 0.020 0.000 1.071 222 M CA 1.441 56.760 55.300 0.032 0.000 1.074 222 M CB -0.162 32.453 32.600 0.025 0.000 1.384 222 M HN 0.685 nan 8.290 nan 0.000 0.415 223 N N -0.120 118.589 118.700 0.015 0.000 2.322 223 N HA 0.007 4.746 4.740 -0.001 0.000 0.194 223 N C -0.481 175.036 175.510 0.011 0.000 1.126 223 N CA 0.157 53.212 53.050 0.009 0.000 0.845 223 N CB -0.120 38.370 38.487 0.004 0.000 0.976 223 N HN 0.394 nan 8.380 nan 0.000 0.475 224 E N 1.663 121.874 120.200 0.018 0.000 2.283 224 E HA 0.313 4.662 4.350 -0.001 0.000 0.267 224 E C -2.267 174.342 176.600 0.014 0.000 1.045 224 E CA -2.048 54.364 56.400 0.019 0.000 0.884 224 E CB 0.839 30.556 29.700 0.029 0.000 1.106 224 E HN 0.219 nan 8.360 nan 0.000 0.408 225 P HA 0.019 nan 4.420 nan 0.000 0.272 225 P C -2.269 175.033 177.300 0.004 0.000 1.230 225 P CA -1.235 61.869 63.100 0.006 0.000 0.788 225 P CB 0.208 31.912 31.700 0.008 0.000 0.949 226 P HA -0.185 nan 4.420 nan 0.000 0.217 226 P C 1.688 178.980 177.300 -0.014 0.000 1.151 226 P CA 2.189 65.278 63.100 -0.018 0.000 0.849 226 P CB -0.585 31.098 31.700 -0.028 0.000 0.787 227 G N -0.362 108.438 108.800 -0.001 0.000 2.432 227 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.219 227 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.219 227 G C 1.605 176.518 174.900 0.022 0.000 1.135 227 G CA 0.900 46.007 45.100 0.010 0.000 0.767 227 G HN 0.358 nan 8.290 nan 0.000 0.550 228 A N 0.820 123.653 122.820 0.023 0.000 1.874 228 A HA 0.126 4.445 4.320 -0.001 0.000 0.214 228 A C 2.397 180.005 177.584 0.039 0.000 1.189 228 A CA 1.353 53.409 52.037 0.031 0.000 0.615 228 A CB -0.313 18.706 19.000 0.031 0.000 0.830 228 A HN 0.292 nan 8.150 nan 0.000 0.443 229 R N -0.329 120.191 120.500 0.033 0.000 2.193 229 R HA -0.005 4.335 4.340 -0.001 0.000 0.229 229 R C 2.093 178.428 176.300 0.058 0.000 1.110 229 R CA 1.021 57.148 56.100 0.045 0.000 0.988 229 R CB -0.300 30.017 30.300 0.028 0.000 0.871 229 R HN 0.517 nan 8.270 nan 0.000 0.458 230 A N 0.295 123.132 122.820 0.027 0.000 2.021 230 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 230 A C 1.667 179.333 177.584 0.136 0.000 1.163 230 A CA 0.657 52.703 52.037 0.014 0.000 0.676 230 A CB 0.142 19.092 19.000 -0.083 0.000 0.818 230 A HN 0.032 nan 8.150 nan 0.000 0.453 231 R N -0.199 120.357 120.500 0.092 0.000 2.206 231 R HA 0.035 4.374 4.340 -0.001 0.000 0.198 231 R C 1.999 178.320 176.300 0.035 0.000 0.986 231 R CA 1.238 57.378 56.100 0.067 0.000 1.029 231 R CB -1.325 28.994 30.300 0.031 0.000 0.966 231 R HN 0.495 nan 8.270 nan 0.000 0.487 232 V N 0.238 120.180 119.914 0.046 0.000 2.313 232 V HA -0.273 3.847 4.120 -0.001 0.000 0.253 232 V C 2.445 178.525 176.094 -0.023 0.000 1.070 232 V CA 2.056 64.365 62.300 0.015 0.000 1.057 232 V CB -1.495 30.347 31.823 0.032 0.000 0.653 232 V HN 0.196 nan 8.190 nan 0.000 0.450 233 A N 0.919 123.730 122.820 -0.014 0.000 1.908 233 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 233 A C 2.259 179.767 177.584 -0.127 0.000 1.181 233 A CA 2.361 54.330 52.037 -0.114 0.000 0.627 233 A CB -0.688 18.171 19.000 -0.235 0.000 0.818 233 A HN 0.613 nan 8.150 nan 0.000 0.445 234 L N -1.048 120.119 121.223 -0.093 0.000 2.217 234 L HA -0.109 4.230 4.340 -0.001 0.000 0.211 234 L C 2.653 179.451 176.870 -0.119 0.000 1.107 234 L CA 1.468 56.233 54.840 -0.124 0.000 0.783 234 L CB -0.944 41.012 42.059 -0.170 0.000 0.919 234 L HN 0.323 nan 8.230 nan 0.000 0.442 235 T N -0.026 114.470 114.554 -0.097 0.000 2.737 235 T HA -0.094 4.255 4.350 -0.001 0.000 0.265 235 T C 1.930 176.586 174.700 -0.073 0.000 1.038 235 T CA 1.405 63.456 62.100 -0.082 0.000 1.144 235 T CB -0.494 68.339 68.868 -0.059 0.000 0.866 235 T HN 0.527 nan 8.240 nan 0.000 0.434 236 G N 1.569 110.325 108.800 -0.074 0.000 2.440 236 G HA2 -0.168 3.792 3.960 -0.001 0.000 0.218 236 G HA3 -0.168 3.792 3.960 -0.001 0.000 0.218 236 G C 1.555 176.424 174.900 -0.052 0.000 1.154 236 G CA 0.955 46.017 45.100 -0.064 0.000 0.767 236 G HN 0.447 nan 8.290 nan 0.000 0.552 237 L N 0.717 121.894 121.223 -0.077 0.000 2.093 237 L HA 0.041 4.380 4.340 -0.001 0.000 0.208 237 L C 2.756 179.598 176.870 -0.046 0.000 1.085 237 L CA 2.522 57.319 54.840 -0.071 0.000 0.755 237 L CB -0.803 41.193 42.059 -0.106 0.000 0.904 237 L HN 0.140 nan 8.230 nan 0.000 0.435 238 T N 0.029 114.549 114.554 -0.058 0.000 2.777 238 T HA -0.085 4.265 4.350 -0.001 0.000 0.266 238 T C 1.940 176.613 174.700 -0.046 0.000 1.040 238 T CA 1.884 63.955 62.100 -0.049 0.000 1.141 238 T CB -0.299 68.528 68.868 -0.067 0.000 0.868 238 T HN 0.341 nan 8.240 nan 0.000 0.444 239 I N 1.433 121.966 120.570 -0.062 0.000 2.226 239 I HA -0.188 3.982 4.170 -0.001 0.000 0.245 239 I C 2.918 179.011 176.117 -0.041 0.000 1.100 239 I CA 1.145 62.383 61.300 -0.103 0.000 1.374 239 I CB -0.495 37.474 38.000 -0.050 0.000 1.057 239 I HN 0.186 nan 8.210 nan 0.000 0.413 240 A N 0.445 123.314 122.820 0.081 0.000 1.902 240 A HA -0.223 4.097 4.320 -0.001 0.000 0.217 240 A C 2.219 179.887 177.584 0.141 0.000 1.181 240 A CA 1.675 53.827 52.037 0.193 0.000 0.623 240 A CB -0.564 18.505 19.000 0.115 0.000 0.818 240 A HN 0.440 nan 8.150 nan 0.000 0.443 241 E N -1.725 118.507 120.200 0.053 0.000 2.077 241 E HA -0.213 4.137 4.350 -0.001 0.000 0.193 241 E C 1.827 178.447 176.600 0.033 0.000 0.989 241 E CA 1.378 57.798 56.400 0.034 0.000 0.800 241 E CB -0.309 29.396 29.700 0.009 0.000 0.746 241 E HN 0.778 nan 8.360 nan 0.000 0.452 242 Y N 0.410 120.630 120.300 -0.134 0.000 2.165 242 Y HA -0.286 4.263 4.550 -0.001 0.000 0.286 242 Y C 1.802 177.624 175.900 -0.130 0.000 1.155 242 Y CA 1.623 59.608 58.100 -0.192 0.000 1.164 242 Y CB -0.236 38.022 38.460 -0.337 0.000 0.978 242 Y HN -0.028 nan 8.280 nan 0.000 0.513 243 F N 0.136 120.176 119.950 0.151 0.000 2.161 243 F HA -0.186 4.341 4.527 -0.001 0.000 0.300 243 F C 2.703 178.496 175.800 -0.012 0.000 1.089 243 F CA 1.847 59.907 58.000 0.100 0.000 1.282 243 F CB -0.926 38.202 39.000 0.214 0.000 1.010 243 F HN 0.005 nan 8.300 nan 0.000 0.485 244 R N 0.589 121.174 120.500 0.142 0.000 2.061 244 R HA -0.145 4.194 4.340 -0.001 0.000 0.230 244 R C 1.832 178.111 176.300 -0.036 0.000 1.140 244 R CA 2.111 58.236 56.100 0.041 0.000 0.940 244 R CB -0.396 29.917 30.300 0.022 0.000 0.839 244 R HN 0.160 nan 8.270 nan 0.000 0.429 245 D N -0.116 120.229 120.400 -0.091 0.000 2.103 245 D HA -0.132 4.508 4.640 -0.001 0.000 0.199 245 D C 1.837 178.026 176.300 -0.185 0.000 0.978 245 D CA 1.146 55.072 54.000 -0.123 0.000 0.829 245 D CB -0.171 40.559 40.800 -0.117 0.000 0.981 245 D HN 0.247 nan 8.370 nan 0.000 0.464 246 E N 0.621 120.605 120.200 -0.360 0.000 2.086 246 E HA -0.033 4.316 4.350 -0.001 0.000 0.190 246 E C 1.258 177.730 176.600 -0.214 0.000 0.975 246 E CA 0.782 56.929 56.400 -0.422 0.000 0.813 246 E CB 0.223 29.302 29.700 -1.036 0.000 0.768 246 E HN 0.231 nan 8.360 nan 0.000 0.457 247 E N -1.328 118.797 120.200 -0.127 0.000 2.498 247 E HA 0.201 4.550 4.350 -0.001 0.000 0.203 247 E C 0.272 176.879 176.600 0.012 0.000 1.013 247 E CA 0.272 56.680 56.400 0.013 0.000 0.927 247 E CB 0.847 30.646 29.700 0.166 0.000 1.012 247 E HN 0.291 nan 8.360 nan 0.000 0.482 248 G N 2.549 111.340 108.800 -0.015 0.000 2.305 248 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.287 248 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.287 248 G C -0.003 174.887 174.900 -0.016 0.000 1.036 248 G CA 0.540 45.627 45.100 -0.020 0.000 0.887 248 G HN 0.241 nan 8.290 nan 0.000 0.505 249 Q N -0.440 119.364 119.800 0.006 0.000 2.193 249 Q HA 0.408 4.748 4.340 -0.001 0.000 0.246 249 Q C -0.542 175.444 176.000 -0.024 0.000 0.959 249 Q CA -0.783 55.008 55.803 -0.020 0.000 0.904 249 Q CB 1.021 29.748 28.738 -0.019 0.000 1.238 249 Q HN 0.275 nan 8.270 nan 0.000 0.469 250 D N 1.516 121.884 120.400 -0.053 0.000 2.347 250 D HA 0.226 4.866 4.640 -0.001 0.000 0.235 250 D C -0.886 175.394 176.300 -0.032 0.000 1.149 250 D CA 0.016 53.980 54.000 -0.061 0.000 0.850 250 D CB 1.159 41.883 40.800 -0.128 0.000 1.061 250 D HN 0.100 nan 8.370 nan 0.000 0.487 251 V N 2.904 122.817 119.914 -0.002 0.000 2.630 251 V HA 0.432 4.552 4.120 -0.001 0.000 0.305 251 V C 0.460 176.554 176.094 0.000 0.000 1.046 251 V CA -0.869 61.454 62.300 0.038 0.000 0.934 251 V CB 2.079 33.975 31.823 0.123 0.000 1.003 251 V HN 0.329 nan 8.190 nan 0.000 0.451 252 L N 3.930 125.160 121.223 0.012 0.000 2.325 252 L HA 0.632 4.972 4.340 -0.001 0.000 0.278 252 L C -0.850 175.963 176.870 -0.094 0.000 1.023 252 L CA -0.599 54.175 54.840 -0.110 0.000 0.811 252 L CB 1.747 43.743 42.059 -0.105 0.000 1.249 252 L HN 0.486 nan 8.230 nan 0.000 0.431 253 L N 3.007 124.075 121.223 -0.258 0.000 2.376 253 L HA 0.556 4.895 4.340 -0.001 0.000 0.275 253 L C -1.441 175.229 176.870 -0.332 0.000 0.987 253 L CA 0.144 54.882 54.840 -0.170 0.000 0.828 253 L CB 1.249 43.236 42.059 -0.119 0.000 1.249 253 L HN 0.208 nan 8.230 nan 0.000 0.409 254 F N 5.853 125.730 119.950 -0.122 0.000 2.415 254 F HA 0.589 5.115 4.527 -0.001 0.000 0.348 254 F C 0.053 175.606 175.800 -0.411 0.000 1.119 254 F CA -0.361 57.511 58.000 -0.213 0.000 1.069 254 F CB 1.464 40.379 39.000 -0.142 0.000 1.124 254 F HN 0.249 nan 8.300 nan 0.000 0.472 255 I N 3.235 123.694 120.570 -0.186 0.000 2.411 255 I HA 0.251 4.420 4.170 -0.001 0.000 0.284 255 I C -1.226 174.778 176.117 -0.189 0.000 1.012 255 I CA -0.482 60.670 61.300 -0.247 0.000 1.119 255 I CB 1.608 39.476 38.000 -0.221 0.000 1.261 255 I HN 0.433 nan 8.210 nan 0.000 0.448 256 D N 6.627 126.885 120.400 -0.236 0.000 2.505 256 D HA 0.237 4.877 4.640 -0.001 0.000 0.250 256 D C -1.209 175.100 176.300 0.015 0.000 1.164 256 D CA -0.293 53.670 54.000 -0.063 0.000 0.870 256 D CB 1.351 42.156 40.800 0.009 0.000 1.160 256 D HN 0.352 nan 8.370 nan 0.000 0.549 257 N N 3.999 122.741 118.700 0.069 0.000 2.362 257 N HA 0.184 4.923 4.740 -0.001 0.000 0.298 257 N C 0.940 176.518 175.510 0.113 0.000 1.048 257 N CA -0.508 52.598 53.050 0.093 0.000 0.858 257 N CB 1.741 40.323 38.487 0.159 0.000 1.218 257 N HN 0.423 nan 8.380 nan 0.000 0.488 258 I N 3.663 124.282 120.570 0.081 0.000 2.361 258 I HA -0.145 4.025 4.170 -0.001 0.000 0.251 258 I C 1.758 178.030 176.117 0.260 0.000 1.133 258 I CA 1.095 62.454 61.300 0.099 0.000 1.413 258 I CB -0.293 37.703 38.000 -0.006 0.000 1.073 258 I HN 0.616 nan 8.210 nan 0.000 0.424 259 F N 1.473 121.512 119.950 0.148 0.000 2.161 259 F HA -0.234 4.293 4.527 -0.001 0.000 0.300 259 F C 2.473 178.387 175.800 0.190 0.000 1.089 259 F CA 1.723 59.845 58.000 0.204 0.000 1.282 259 F CB -0.352 38.812 39.000 0.273 0.000 1.010 259 F HN -0.040 nan 8.300 nan 0.000 0.485 260 R N -1.013 119.574 120.500 0.145 0.000 2.189 260 R HA -0.137 4.202 4.340 -0.001 0.000 0.218 260 R C 2.220 178.523 176.300 0.005 0.000 1.074 260 R CA 1.325 57.434 56.100 0.016 0.000 0.991 260 R CB -0.664 29.700 30.300 0.106 0.000 0.883 260 R HN 0.478 nan 8.270 nan 0.000 0.457 261 F N 1.016 120.922 119.950 -0.073 0.000 2.206 261 F HA -0.110 4.417 4.527 -0.001 0.000 0.298 261 F C 1.988 177.734 175.800 -0.090 0.000 1.090 261 F CA 1.308 59.268 58.000 -0.067 0.000 1.323 261 F CB -0.288 38.681 39.000 -0.052 0.000 1.028 261 F HN -0.207 nan 8.300 nan 0.000 0.492 262 T N 0.669 115.136 114.554 -0.147 0.000 2.674 262 T HA -0.188 4.161 4.350 -0.001 0.000 0.265 262 T C 1.874 176.401 174.700 -0.289 0.000 1.039 262 T CA 1.635 63.576 62.100 -0.266 0.000 1.150 262 T CB -0.284 68.526 68.868 -0.097 0.000 0.864 262 T HN 0.305 nan 8.240 nan 0.000 0.427 263 Q N 0.538 120.103 119.800 -0.392 0.000 2.170 263 Q HA -0.021 4.319 4.340 -0.001 0.000 0.203 263 Q C 2.639 178.513 176.000 -0.210 0.000 0.976 263 Q CA 1.411 57.025 55.803 -0.316 0.000 0.858 263 Q CB -0.515 27.992 28.738 -0.385 0.000 0.907 263 Q HN 0.572 nan 8.270 nan 0.000 0.433 264 A N 0.590 123.285 122.820 -0.208 0.000 1.898 264 A HA -0.058 4.261 4.320 -0.001 0.000 0.216 264 A C 2.335 179.808 177.584 -0.184 0.000 1.181 264 A CA 1.659 53.602 52.037 -0.157 0.000 0.620 264 A CB -0.923 18.005 19.000 -0.120 0.000 0.819 264 A HN 0.446 nan 8.150 nan 0.000 0.442 265 G N -1.043 107.584 108.800 -0.288 0.000 2.408 265 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.217 265 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.217 265 G C 1.880 176.692 174.900 -0.146 0.000 1.150 265 G CA 1.366 46.308 45.100 -0.262 0.000 0.776 265 G HN 0.523 nan 8.290 nan 0.000 0.542 266 S N 0.162 115.789 115.700 -0.121 0.000 2.370 266 S HA -0.133 4.337 4.470 -0.001 0.000 0.226 266 S C 2.261 176.813 174.600 -0.081 0.000 1.033 266 S CA 1.964 60.119 58.200 -0.076 0.000 1.011 266 S CB -0.240 62.899 63.200 -0.102 0.000 0.852 266 S HN 0.597 nan 8.310 nan 0.000 0.457 267 E N -0.160 119.985 120.200 -0.092 0.000 2.046 267 E HA -0.066 4.284 4.350 -0.001 0.000 0.190 267 E C 2.177 178.746 176.600 -0.053 0.000 0.982 267 E CA 1.229 57.587 56.400 -0.069 0.000 0.800 267 E CB -0.168 29.492 29.700 -0.067 0.000 0.756 267 E HN 0.339 nan 8.360 nan 0.000 0.449 268 V N 1.042 120.921 119.914 -0.059 0.000 2.255 268 V HA -0.310 3.809 4.120 -0.001 0.000 0.247 268 V C 2.459 178.533 176.094 -0.034 0.000 1.051 268 V CA 2.067 64.341 62.300 -0.042 0.000 1.018 268 V CB -0.675 31.119 31.823 -0.048 0.000 0.641 268 V HN 0.290 nan 8.190 nan 0.000 0.445 269 S N -0.057 115.618 115.700 -0.041 0.000 2.365 269 S HA -0.258 4.212 4.470 -0.001 0.000 0.225 269 S C 2.146 176.733 174.600 -0.021 0.000 1.039 269 S CA 1.960 60.143 58.200 -0.028 0.000 1.033 269 S CB -0.476 62.708 63.200 -0.026 0.000 0.887 269 S HN 0.640 nan 8.310 nan 0.000 0.447 270 A N 1.371 124.175 122.820 -0.027 0.000 1.908 270 A HA -0.009 4.311 4.320 -0.001 0.000 0.218 270 A C 2.288 179.862 177.584 -0.017 0.000 1.181 270 A CA 1.651 53.674 52.037 -0.023 0.000 0.627 270 A CB -0.879 18.102 19.000 -0.032 0.000 0.818 270 A HN 0.606 nan 8.150 nan 0.000 0.445 271 L N -0.919 120.293 121.223 -0.018 0.000 2.201 271 L HA -0.083 4.256 4.340 -0.001 0.000 0.212 271 L C 2.068 178.935 176.870 -0.006 0.000 1.105 271 L CA 0.678 55.511 54.840 -0.012 0.000 0.775 271 L CB -0.311 41.741 42.059 -0.012 0.000 0.913 271 L HN 0.373 nan 8.230 nan 0.000 0.440 272 L N -0.738 120.481 121.223 -0.006 0.000 2.554 272 L HA 0.107 4.446 4.340 -0.001 0.000 0.226 272 L C 1.445 178.315 176.870 0.001 0.000 1.137 272 L CA 0.621 55.461 54.840 -0.000 0.000 0.863 272 L CB -0.264 41.794 42.059 -0.001 0.000 0.985 272 L HN 0.456 nan 8.230 nan 0.000 0.451 273 G N 0.367 109.166 108.800 -0.002 0.000 2.141 273 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.231 273 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.231 273 G C 0.271 175.171 174.900 -0.000 0.000 0.984 273 G CA -0.401 44.698 45.100 -0.000 0.000 0.660 273 G HN 0.318 nan 8.290 nan 0.000 0.525 274 R N -0.527 119.972 120.500 -0.002 0.000 2.594 274 R HA 0.478 4.817 4.340 -0.001 0.000 0.272 274 R C 0.274 176.575 176.300 0.001 0.000 1.074 274 R CA -0.586 55.514 56.100 0.000 0.000 1.105 274 R CB 0.550 30.849 30.300 -0.001 0.000 1.008 274 R HN 0.131 nan 8.270 nan 0.000 0.472 275 I N 4.999 125.572 120.570 0.004 0.000 2.471 275 I HA 0.091 4.261 4.170 -0.001 0.000 0.286 275 I C -1.703 174.420 176.117 0.011 0.000 1.079 275 I CA -2.318 58.986 61.300 0.006 0.000 1.398 275 I CB 0.387 38.392 38.000 0.008 0.000 1.403 275 I HN 0.435 nan 8.210 nan 0.000 0.530 276 P HA 0.152 nan 4.420 nan 0.000 0.272 276 P C -0.214 177.106 177.300 0.034 0.000 1.230 276 P CA -0.329 62.783 63.100 0.019 0.000 0.788 276 P CB 0.966 32.669 31.700 0.005 0.000 0.949 277 S N 0.481 116.217 115.700 0.059 0.000 2.590 277 S HA 0.615 5.085 4.470 -0.001 0.000 0.282 277 S C -0.026 174.627 174.600 0.088 0.000 1.136 277 S CA -0.383 57.858 58.200 0.070 0.000 1.030 277 S CB 0.015 63.264 63.200 0.081 0.000 1.195 277 S HN 0.598 nan 8.310 nan 0.000 0.506 278 A N 0.293 123.172 122.820 0.098 0.000 2.561 278 A HA 0.347 4.666 4.320 -0.001 0.000 0.234 278 A C 1.091 178.781 177.584 0.176 0.000 1.055 278 A CA 0.503 52.606 52.037 0.110 0.000 0.756 278 A CB -0.891 18.166 19.000 0.095 0.000 0.986 278 A HN 1.652 nan 8.150 nan 0.000 0.505 279 V N 1.009 121.001 119.914 0.130 0.000 2.666 279 V HA -0.321 3.799 4.120 -0.001 0.000 0.147 279 V C 1.816 177.914 176.094 0.007 0.000 0.450 279 V CA 1.810 64.187 62.300 0.129 0.000 1.232 279 V CB -2.436 29.542 31.823 0.258 0.000 1.437 279 V HN 2.962 nan 8.190 nan 0.000 1.056 280 G N -2.799 106.005 108.800 0.006 0.000 2.175 280 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.244 280 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.244 280 G C -0.145 174.677 174.900 -0.130 0.000 0.982 280 G CA 0.251 45.300 45.100 -0.085 0.000 0.641 280 G HN 0.838 nan 8.290 nan 0.000 0.527 281 Y N 1.551 121.860 120.300 0.015 0.000 2.281 281 Y HA 0.453 5.002 4.550 -0.001 0.000 0.337 281 Y C 1.356 177.248 175.900 -0.013 0.000 1.304 281 Y CA 0.020 58.119 58.100 -0.002 0.000 1.465 281 Y CB 0.392 38.859 38.460 0.011 0.000 1.350 281 Y HN 0.366 nan 8.280 nan 0.000 0.575 282 Q N 3.093 122.986 119.800 0.153 0.000 2.373 282 Q HA 0.096 4.435 4.340 -0.001 0.000 0.255 282 Q C -2.287 173.754 176.000 0.068 0.000 0.980 282 Q CA -1.724 54.118 55.803 0.065 0.000 0.882 282 Q CB 1.047 29.796 28.738 0.019 0.000 1.249 282 Q HN 0.381 nan 8.270 nan 0.000 0.438 283 P HA -0.144 nan 4.420 nan 0.000 0.218 283 P C 0.940 178.257 177.300 0.027 0.000 1.148 283 P CA 1.704 64.825 63.100 0.035 0.000 0.822 283 P CB -0.143 31.570 31.700 0.022 0.000 0.784 284 T N -3.382 111.183 114.554 0.018 0.000 3.272 284 T HA 0.095 4.445 4.350 -0.001 0.000 0.250 284 T C 1.511 176.221 174.700 0.016 0.000 1.082 284 T CA -0.298 61.810 62.100 0.014 0.000 0.968 284 T CB -0.926 67.945 68.868 0.004 0.000 1.015 284 T HN -0.159 nan 8.240 nan 0.000 0.563 285 L N 2.023 123.258 121.223 0.020 0.000 2.011 285 L HA -0.187 4.153 4.340 -0.001 0.000 0.225 285 L C 2.699 179.588 176.870 0.032 0.000 1.084 285 L CA 2.463 57.309 54.840 0.010 0.000 0.791 285 L CB -1.186 40.866 42.059 -0.011 0.000 0.898 285 L HN 0.393 nan 8.230 nan 0.000 0.440 286 A N -1.965 120.881 122.820 0.044 0.000 1.929 286 A HA -0.152 4.168 4.320 -0.001 0.000 0.216 286 A C 2.244 179.886 177.584 0.096 0.000 1.176 286 A CA 2.076 54.161 52.037 0.080 0.000 0.628 286 A CB -1.164 17.878 19.000 0.069 0.000 0.816 286 A HN 0.658 nan 8.150 nan 0.000 0.444 287 T N -2.121 112.473 114.554 0.068 0.000 2.942 287 T HA -0.087 4.262 4.350 -0.001 0.000 0.265 287 T C 1.305 176.051 174.700 0.077 0.000 1.062 287 T CA 1.197 63.338 62.100 0.067 0.000 1.139 287 T CB -0.368 68.527 68.868 0.044 0.000 0.883 287 T HN 0.315 nan 8.240 nan 0.000 0.468 288 D N 1.089 121.532 120.400 0.071 0.000 2.123 288 D HA -0.048 4.592 4.640 -0.001 0.000 0.196 288 D C 1.906 178.334 176.300 0.214 0.000 0.992 288 D CA 1.076 55.135 54.000 0.099 0.000 0.833 288 D CB -0.352 40.446 40.800 -0.004 0.000 0.954 288 D HN 0.322 nan 8.370 nan 0.000 0.455 289 M N 0.415 120.121 119.600 0.178 0.000 2.156 289 M HA 0.050 4.530 4.480 -0.001 0.000 0.264 289 M C 1.933 178.203 176.300 -0.050 0.000 1.067 289 M CA 1.683 57.074 55.300 0.153 0.000 1.131 289 M CB -0.524 32.152 32.600 0.127 0.000 1.368 289 M HN -0.021 nan 8.290 nan 0.000 0.416 290 G N -0.154 108.664 108.800 0.031 0.000 2.422 290 G HA2 -0.119 3.841 3.960 -0.001 0.000 0.218 290 G HA3 -0.119 3.841 3.960 -0.001 0.000 0.218 290 G C 1.472 176.377 174.900 0.009 0.000 1.140 290 G CA 0.741 45.861 45.100 0.032 0.000 0.775 290 G HN 0.485 nan 8.290 nan 0.000 0.545 291 L N -0.267 120.983 121.223 0.044 0.000 2.275 291 L HA 0.058 4.397 4.340 -0.001 0.000 0.215 291 L C 2.511 179.390 176.870 0.015 0.000 1.119 291 L CA 0.294 55.163 54.840 0.050 0.000 0.790 291 L CB -0.095 42.018 42.059 0.090 0.000 0.919 291 L HN 0.297 nan 8.230 nan 0.000 0.443 292 L N -1.504 119.699 121.223 -0.033 0.000 2.200 292 L HA -0.029 4.311 4.340 -0.001 0.000 0.200 292 L C 2.430 179.182 176.870 -0.197 0.000 1.072 292 L CA 1.356 56.106 54.840 -0.150 0.000 0.787 292 L CB -0.402 41.444 42.059 -0.356 0.000 0.957 292 L HN 0.070 nan 8.230 nan 0.000 0.459 293 Q N 0.036 119.682 119.800 -0.257 0.000 2.172 293 Q HA -0.105 4.235 4.340 -0.001 0.000 0.200 293 Q C 1.923 177.844 176.000 -0.132 0.000 0.964 293 Q CA 1.037 56.670 55.803 -0.284 0.000 0.855 293 Q CB -0.153 28.230 28.738 -0.591 0.000 0.918 293 Q HN 0.605 nan 8.270 nan 0.000 0.444 294 E N 0.659 120.817 120.200 -0.069 0.000 2.409 294 E HA -0.116 4.233 4.350 -0.001 0.000 0.198 294 E C 1.723 178.312 176.600 -0.018 0.000 1.024 294 E CA 0.457 56.857 56.400 0.001 0.000 0.861 294 E CB 0.062 29.784 29.700 0.037 0.000 0.788 294 E HN 0.288 nan 8.360 nan 0.000 0.521 295 R N 0.015 120.488 120.500 -0.046 0.000 2.161 295 R HA 0.148 4.487 4.340 -0.001 0.000 0.213 295 R C 0.906 177.174 176.300 -0.053 0.000 1.055 295 R CA 0.143 56.217 56.100 -0.043 0.000 0.996 295 R CB 0.215 30.485 30.300 -0.048 0.000 0.901 295 R HN 0.052 nan 8.270 nan 0.000 0.456 296 I N 1.682 122.208 120.570 -0.074 0.000 2.389 296 I HA 0.037 4.207 4.170 -0.001 0.000 0.295 296 I C 0.219 176.300 176.117 -0.060 0.000 1.117 296 I CA 0.437 61.690 61.300 -0.079 0.000 1.317 296 I CB 0.675 38.607 38.000 -0.113 0.000 1.431 296 I HN -0.009 nan 8.210 nan 0.000 0.521 297 T N 3.135 117.658 114.554 -0.052 0.000 2.700 297 T HA 0.276 4.625 4.350 -0.001 0.000 0.307 297 T C -0.758 173.913 174.700 -0.049 0.000 1.580 297 T CA -0.491 61.581 62.100 -0.046 0.000 0.992 297 T CB 1.608 70.455 68.868 -0.035 0.000 1.577 297 T HN 0.379 nan 8.240 nan 0.000 0.496 298 T N 2.685 117.208 114.554 -0.053 0.000 2.799 298 T HA 0.628 4.977 4.350 -0.001 0.000 0.286 298 T C 0.441 175.106 174.700 -0.058 0.000 0.973 298 T CA -0.385 61.681 62.100 -0.056 0.000 1.035 298 T CB 1.001 69.833 68.868 -0.060 0.000 0.932 298 T HN 0.867 nan 8.240 nan 0.000 0.469 299 T N 0.114 114.636 114.554 -0.054 0.000 2.844 299 T HA 0.466 4.815 4.350 -0.001 0.000 0.274 299 T C 1.138 175.805 174.700 -0.055 0.000 0.991 299 T CA -1.011 61.056 62.100 -0.055 0.000 0.983 299 T CB 1.275 70.115 68.868 -0.046 0.000 1.310 299 T HN 0.391 nan 8.240 nan 0.000 0.596 300 K N -0.003 120.366 120.400 -0.052 0.000 2.217 300 K HA 0.039 4.358 4.320 -0.001 0.000 0.202 300 K C 2.184 178.758 176.600 -0.043 0.000 1.051 300 K CA 0.610 56.868 56.287 -0.048 0.000 0.952 300 K CB 0.003 32.477 32.500 -0.044 0.000 0.736 300 K HN 0.341 nan 8.250 nan 0.000 0.453 301 K N 0.147 120.522 120.400 -0.043 0.000 2.062 301 K HA 0.013 4.332 4.320 -0.001 0.000 0.205 301 K C 1.358 177.934 176.600 -0.041 0.000 1.051 301 K CA 1.131 57.393 56.287 -0.042 0.000 0.941 301 K CB 0.384 32.856 32.500 -0.046 0.000 0.719 301 K HN 0.310 nan 8.250 nan 0.000 0.440 302 G N -0.383 108.391 108.800 -0.042 0.000 2.485 302 G HA2 0.222 4.182 3.960 -0.001 0.000 0.182 302 G HA3 0.222 4.182 3.960 -0.001 0.000 0.182 302 G C -1.469 173.403 174.900 -0.046 0.000 1.172 302 G CA 0.071 45.145 45.100 -0.043 0.000 0.996 302 G HN 0.184 nan 8.290 nan 0.000 0.496 303 S N -1.538 114.138 115.700 -0.040 0.000 2.543 303 S HA 0.637 5.107 4.470 -0.001 0.000 0.274 303 S C -1.538 173.043 174.600 -0.031 0.000 1.149 303 S CA -0.546 57.627 58.200 -0.044 0.000 0.866 303 S CB 1.665 64.827 63.200 -0.063 0.000 1.111 303 S HN 1.270 nan 8.310 nan 0.000 0.457 304 V N 2.464 122.356 119.914 -0.035 0.000 2.398 304 V HA 0.636 4.755 4.120 -0.001 0.000 0.286 304 V C -0.125 175.925 176.094 -0.073 0.000 1.026 304 V CA -0.236 62.041 62.300 -0.039 0.000 0.868 304 V CB 1.527 33.330 31.823 -0.033 0.000 0.982 304 V HN 1.037 nan 8.190 nan 0.000 0.443 305 T N 3.426 117.924 114.554 -0.094 0.000 2.797 305 T HA 0.443 4.793 4.350 -0.001 0.000 0.279 305 T C -0.242 174.330 174.700 -0.212 0.000 0.991 305 T CA -0.369 61.652 62.100 -0.132 0.000 0.979 305 T CB 1.558 70.366 68.868 -0.100 0.000 0.943 305 T HN 0.610 nan 8.240 nan 0.000 0.444 306 S N 2.222 117.776 115.700 -0.243 0.000 2.478 306 S HA 0.640 5.109 4.470 -0.001 0.000 0.312 306 S C -0.686 173.704 174.600 -0.351 0.000 1.094 306 S CA -0.596 57.422 58.200 -0.304 0.000 1.081 306 S CB 0.621 63.676 63.200 -0.240 0.000 1.007 306 S HN 0.474 nan 8.310 nan 0.000 0.475 307 V N 5.973 125.624 119.914 -0.439 0.000 2.384 307 V HA 0.490 4.610 4.120 -0.001 0.000 0.287 307 V C -0.457 175.542 176.094 -0.159 0.000 1.020 307 V CA -0.497 61.621 62.300 -0.305 0.000 0.850 307 V CB 1.399 33.068 31.823 -0.258 0.000 0.987 307 V HN 0.868 nan 8.190 nan 0.000 0.436 308 Q N 3.160 122.873 119.800 -0.145 0.000 2.310 308 Q HA 0.705 5.045 4.340 -0.001 0.000 0.270 308 Q C -0.411 175.506 176.000 -0.138 0.000 1.025 308 Q CA -0.579 55.140 55.803 -0.140 0.000 0.772 308 Q CB 2.551 31.177 28.738 -0.187 0.000 1.253 308 Q HN 0.862 nan 8.270 nan 0.000 0.450 309 A N 2.450 125.223 122.820 -0.079 0.000 2.409 309 A HA 0.495 4.815 4.320 -0.001 0.000 0.262 309 A C -0.339 177.166 177.584 -0.132 0.000 1.113 309 A CA -0.288 51.694 52.037 -0.091 0.000 0.790 309 A CB 0.512 19.523 19.000 0.018 0.000 1.046 309 A HN 0.496 nan 8.150 nan 0.000 0.496 310 V N 3.770 123.497 119.914 -0.311 0.000 2.409 310 V HA 0.241 4.360 4.120 -0.001 0.000 0.291 310 V C -0.829 175.189 176.094 -0.128 0.000 1.020 310 V CA -0.424 61.713 62.300 -0.271 0.000 0.848 310 V CB 1.107 32.581 31.823 -0.581 0.000 0.990 310 V HN 0.808 nan 8.190 nan 0.000 0.430 311 Y N 5.144 125.405 120.300 -0.066 0.000 2.320 311 Y HA 0.613 5.163 4.550 -0.000 0.000 0.334 311 Y C -0.197 175.598 175.900 -0.175 0.000 1.055 311 Y CA -0.547 57.479 58.100 -0.123 0.000 1.143 311 Y CB 1.650 39.989 38.460 -0.201 0.000 1.193 311 Y HN 0.384 nan 8.280 nan 0.000 0.477 312 V N 9.172 128.602 119.914 -0.808 0.000 2.333 312 V HA 0.316 4.436 4.120 -0.001 0.000 0.274 312 V C -2.253 173.276 176.094 -0.941 0.000 1.028 312 V CA -2.133 59.825 62.300 -0.569 0.000 0.851 312 V CB 1.003 32.721 31.823 -0.175 0.000 1.000 312 V HN 0.730 nan 8.190 nan 0.000 0.456 313 P HA 0.220 nan 4.420 nan 0.000 0.266 313 P C 0.592 177.796 177.300 -0.160 0.000 1.215 313 P CA 0.681 63.602 63.100 -0.297 0.000 0.763 313 P CB 0.836 32.539 31.700 0.004 0.000 0.806 314 A N 4.230 126.986 122.820 -0.106 0.000 2.945 314 A HA -0.257 4.062 4.320 -0.001 0.000 0.263 314 A C 0.952 178.495 177.584 -0.069 0.000 1.293 314 A CA 1.121 53.134 52.037 -0.040 0.000 0.944 314 A CB -2.540 16.464 19.000 0.007 0.000 1.093 314 A HN 0.610 nan 8.150 nan 0.000 0.786 315 D N -1.470 118.849 120.400 -0.136 0.000 2.945 315 D HA -0.191 4.448 4.640 -0.001 0.000 0.225 315 D C -0.251 176.001 176.300 -0.080 0.000 1.158 315 D CA 1.900 55.834 54.000 -0.110 0.000 0.805 315 D CB -1.140 39.619 40.800 -0.068 0.000 1.098 315 D HN 0.925 nan 8.370 nan 0.000 0.426 316 D N 0.346 120.702 120.400 -0.074 0.000 2.443 316 D HA 0.268 4.908 4.640 -0.001 0.000 0.221 316 D C 1.498 177.764 176.300 -0.058 0.000 1.097 316 D CA -0.446 53.525 54.000 -0.049 0.000 0.865 316 D CB 0.350 41.141 40.800 -0.015 0.000 1.034 316 D HN 0.082 nan 8.370 nan 0.000 0.511 317 L N 2.377 123.546 121.223 -0.090 0.000 2.275 317 L HA -0.082 4.257 4.340 -0.001 0.000 0.215 317 L C 2.292 179.090 176.870 -0.119 0.000 1.119 317 L CA 1.320 56.075 54.840 -0.140 0.000 0.790 317 L CB -0.400 41.513 42.059 -0.245 0.000 0.919 317 L HN 0.485 nan 8.230 nan 0.000 0.443 318 T N -4.182 110.327 114.554 -0.075 0.000 3.148 318 T HA -0.077 4.273 4.350 -0.001 0.000 0.253 318 T C 0.748 175.445 174.700 -0.006 0.000 1.134 318 T CA -0.329 61.744 62.100 -0.046 0.000 1.051 318 T CB -0.418 68.429 68.868 -0.035 0.000 0.959 318 T HN 0.199 nan 8.240 nan 0.000 0.525 319 D N 2.375 122.786 120.400 0.017 0.000 2.455 319 D HA 0.062 4.701 4.640 -0.001 0.000 0.241 319 D C -1.467 174.849 176.300 0.027 0.000 1.138 319 D CA -1.687 52.356 54.000 0.072 0.000 0.877 319 D CB 1.627 42.501 40.800 0.124 0.000 1.187 319 D HN -0.000 nan 8.370 nan 0.000 0.451 320 P HA -0.218 nan 4.420 nan 0.000 0.218 320 P C 0.823 177.964 177.300 -0.265 0.000 1.152 320 P CA 2.061 65.047 63.100 -0.189 0.000 0.857 320 P CB 0.153 31.643 31.700 -0.350 0.000 0.787 321 A N -0.197 122.440 122.820 -0.305 0.000 1.841 321 A HA -0.091 4.228 4.320 -0.001 0.000 0.214 321 A C -0.040 177.634 177.584 0.150 0.000 1.195 321 A CA 2.066 54.056 52.037 -0.078 0.000 0.611 321 A CB -2.196 16.982 19.000 0.296 0.000 0.835 321 A HN 0.209 nan 8.150 nan 0.000 0.443 322 P HA -0.141 nan 4.420 nan 0.000 0.216 322 P C 1.586 179.075 177.300 0.315 0.000 1.150 322 P CA 2.073 65.363 63.100 0.315 0.000 0.837 322 P CB -0.217 31.636 31.700 0.254 0.000 0.786 323 A N -0.227 122.671 122.820 0.129 0.000 1.902 323 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 323 A C 2.309 179.976 177.584 0.138 0.000 1.181 323 A CA 2.433 54.523 52.037 0.088 0.000 0.623 323 A CB -1.864 17.142 19.000 0.011 0.000 0.818 323 A HN 0.209 nan 8.150 nan 0.000 0.443 324 T N -0.303 114.317 114.554 0.110 0.000 2.812 324 T HA -0.092 4.257 4.350 -0.001 0.000 0.264 324 T C 2.018 176.856 174.700 0.230 0.000 1.042 324 T CA 1.798 63.976 62.100 0.131 0.000 1.140 324 T CB -0.552 68.364 68.868 0.079 0.000 0.870 324 T HN 0.553 nan 8.240 nan 0.000 0.445 325 T N 1.831 116.526 114.554 0.235 0.000 2.684 325 T HA -0.052 4.297 4.350 -0.001 0.000 0.267 325 T C 1.589 176.412 174.700 0.205 0.000 1.036 325 T CA 1.075 63.304 62.100 0.215 0.000 1.148 325 T CB -0.647 68.318 68.868 0.161 0.000 0.863 325 T HN 0.261 nan 8.240 nan 0.000 0.436 326 F N 1.685 121.701 119.950 0.111 0.000 2.250 326 F HA -0.049 4.478 4.527 -0.000 0.000 0.301 326 F C 2.559 178.388 175.800 0.047 0.000 1.077 326 F CA 0.698 58.752 58.000 0.089 0.000 1.348 326 F CB -0.544 38.503 39.000 0.078 0.000 1.040 326 F HN 0.142 nan 8.300 nan 0.000 0.509 327 A N -1.103 121.829 122.820 0.186 0.000 2.019 327 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 327 A C 1.840 179.338 177.584 -0.143 0.000 1.164 327 A CA 1.710 53.740 52.037 -0.012 0.000 0.644 327 A CB -0.822 18.107 19.000 -0.117 0.000 0.805 327 A HN 0.494 nan 8.150 nan 0.000 0.449 328 H N -1.182 117.903 119.070 0.024 0.000 2.595 328 H HA 0.261 4.817 4.556 -0.001 0.000 0.265 328 H C 0.178 175.473 175.328 -0.055 0.000 0.953 328 H CA -0.101 55.936 56.048 -0.019 0.000 1.197 328 H CB 0.022 29.764 29.762 -0.035 0.000 1.438 328 H HN 0.326 nan 8.280 nan 0.000 0.531 329 L N 1.888 123.122 121.223 0.019 0.000 2.456 329 L HA -0.021 4.318 4.340 -0.001 0.000 0.272 329 L C 0.952 177.803 176.870 -0.031 0.000 1.189 329 L CA 0.334 55.132 54.840 -0.069 0.000 0.846 329 L CB 0.712 42.649 42.059 -0.203 0.000 1.111 329 L HN 0.145 nan 8.230 nan 0.000 0.475 330 D N 1.466 121.836 120.400 -0.049 0.000 2.423 330 D HA 0.266 4.905 4.640 -0.001 0.000 0.208 330 D C 0.286 176.582 176.300 -0.007 0.000 1.068 330 D CA 0.410 54.397 54.000 -0.022 0.000 0.860 330 D CB 1.330 42.111 40.800 -0.031 0.000 0.992 330 D HN 0.593 nan 8.370 nan 0.000 0.504 331 A N 0.466 123.266 122.820 -0.035 0.000 2.602 331 A HA 0.624 4.943 4.320 -0.001 0.000 0.290 331 A C -0.892 176.698 177.584 0.010 0.000 1.114 331 A CA -0.539 51.504 52.037 0.011 0.000 0.683 331 A CB 1.665 20.694 19.000 0.048 0.000 1.281 331 A HN -0.023 nan 8.150 nan 0.000 0.416 332 T N -1.576 113.030 114.554 0.087 0.000 2.916 332 T HA 0.713 5.063 4.350 -0.001 0.000 0.298 332 T C -0.758 174.054 174.700 0.187 0.000 1.031 332 T CA -0.476 61.720 62.100 0.159 0.000 0.993 332 T CB 1.617 70.587 68.868 0.171 0.000 1.045 332 T HN 0.616 nan 8.240 nan 0.000 0.454 333 T N 2.610 117.303 114.554 0.232 0.000 2.772 333 T HA 0.522 4.872 4.350 -0.001 0.000 0.288 333 T C -0.308 174.486 174.700 0.156 0.000 0.994 333 T CA -0.519 61.695 62.100 0.189 0.000 0.951 333 T CB 0.901 69.900 68.868 0.217 0.000 0.933 333 T HN 0.645 nan 8.240 nan 0.000 0.447 334 V N 6.008 125.969 119.914 0.079 0.000 2.333 334 V HA 0.374 4.494 4.120 -0.001 0.000 0.274 334 V C 0.045 176.135 176.094 -0.006 0.000 1.028 334 V CA -0.760 61.578 62.300 0.063 0.000 0.851 334 V CB 0.736 32.547 31.823 -0.020 0.000 1.000 334 V HN 0.743 nan 8.190 nan 0.000 0.456 335 L N 4.339 125.557 121.223 -0.008 0.000 2.276 335 L HA 0.597 4.936 4.340 -0.001 0.000 0.286 335 L C 0.370 177.238 176.870 -0.003 0.000 1.061 335 L CA 0.284 55.096 54.840 -0.047 0.000 0.807 335 L CB 1.538 43.553 42.059 -0.074 0.000 1.177 335 L HN 0.681 nan 8.230 nan 0.000 0.429 336 S N 2.443 118.129 115.700 -0.023 0.000 2.538 336 S HA 0.377 4.846 4.470 -0.001 0.000 0.288 336 S C 0.647 175.230 174.600 -0.027 0.000 1.108 336 S CA -0.752 57.441 58.200 -0.013 0.000 0.971 336 S CB 1.938 65.129 63.200 -0.016 0.000 1.041 336 S HN 0.717 nan 8.310 nan 0.000 0.483 337 R N 2.686 123.181 120.500 -0.009 0.000 2.120 337 R HA -0.016 4.323 4.340 -0.001 0.000 0.234 337 R C 2.116 178.401 176.300 -0.024 0.000 1.123 337 R CA 1.804 57.897 56.100 -0.012 0.000 0.975 337 R CB -0.731 29.574 30.300 0.008 0.000 0.866 337 R HN 0.831 nan 8.270 nan 0.000 0.446 338 G N 0.658 109.448 108.800 -0.018 0.000 2.422 338 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.218 338 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.218 338 G C 1.257 176.141 174.900 -0.027 0.000 1.140 338 G CA 0.414 45.505 45.100 -0.015 0.000 0.775 338 G HN 0.156 nan 8.290 nan 0.000 0.545 339 I N 2.077 122.618 120.570 -0.048 0.000 2.333 339 I HA -0.082 4.087 4.170 -0.001 0.000 0.246 339 I C 3.025 179.055 176.117 -0.145 0.000 1.106 339 I CA 1.568 62.825 61.300 -0.072 0.000 1.411 339 I CB -1.233 36.723 38.000 -0.074 0.000 1.082 339 I HN 0.301 nan 8.210 nan 0.000 0.420 340 S N 0.802 116.380 115.700 -0.202 0.000 2.383 340 S HA -0.137 4.333 4.470 -0.001 0.000 0.227 340 S C 1.738 176.248 174.600 -0.150 0.000 1.026 340 S CA 0.780 58.777 58.200 -0.339 0.000 0.981 340 S CB -0.612 62.396 63.200 -0.321 0.000 0.818 340 S HN 0.457 nan 8.310 nan 0.000 0.472 341 E N 1.121 121.283 120.200 -0.064 0.000 2.209 341 E HA -0.011 4.338 4.350 -0.001 0.000 0.196 341 E C 1.627 178.225 176.600 -0.003 0.000 0.993 341 E CA 0.959 57.352 56.400 -0.013 0.000 0.819 341 E CB -0.356 29.343 29.700 -0.002 0.000 0.745 341 E HN 0.547 nan 8.360 nan 0.000 0.477 342 L N -0.748 120.466 121.223 -0.014 0.000 2.554 342 L HA 0.103 4.443 4.340 -0.001 0.000 0.226 342 L C 1.234 178.123 176.870 0.031 0.000 1.137 342 L CA 0.359 55.205 54.840 0.011 0.000 0.863 342 L CB 0.166 42.238 42.059 0.021 0.000 0.985 342 L HN 0.254 nan 8.230 nan 0.000 0.451 343 G N 0.807 109.617 108.800 0.017 0.000 2.142 343 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.225 343 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.225 343 G C -0.029 174.987 174.900 0.194 0.000 1.015 343 G CA -0.465 44.713 45.100 0.129 0.000 0.716 343 G HN 0.123 nan 8.290 nan 0.000 0.508 344 I N 0.618 121.151 120.570 -0.061 0.000 2.330 344 I HA 0.502 4.672 4.170 -0.001 0.000 0.289 344 I C -0.401 175.538 176.117 -0.296 0.000 1.001 344 I CA -1.270 60.008 61.300 -0.037 0.000 1.193 344 I CB 0.736 38.740 38.000 0.007 0.000 1.345 344 I HN 0.075 nan 8.210 nan 0.000 0.461 345 Y N 7.047 127.317 120.300 -0.050 0.000 2.391 345 Y HA 0.426 4.975 4.550 -0.001 0.000 0.341 345 Y C -2.122 173.625 175.900 -0.255 0.000 0.965 345 Y CA -2.358 55.657 58.100 -0.141 0.000 1.067 345 Y CB 2.102 40.449 38.460 -0.188 0.000 1.199 345 Y HN 0.392 nan 8.280 nan 0.000 0.450 346 P HA 0.106 nan 4.420 nan 0.000 0.275 346 P C -0.318 176.992 177.300 0.016 0.000 1.228 346 P CA -0.221 62.934 63.100 0.091 0.000 0.786 346 P CB 1.208 33.149 31.700 0.401 0.000 0.927 347 A N 3.319 126.108 122.820 -0.052 0.000 2.604 347 A HA 0.171 4.490 4.320 -0.001 0.000 0.248 347 A C 0.532 178.066 177.584 -0.083 0.000 1.466 347 A CA -0.173 51.771 52.037 -0.154 0.000 1.222 347 A CB -1.230 17.641 19.000 -0.215 0.000 0.945 347 A HN 0.377 nan 8.150 nan 0.000 0.600 348 V N 1.460 121.349 119.914 -0.042 0.000 2.470 348 V HA 0.034 4.154 4.120 -0.001 0.000 0.276 348 V C 0.415 176.498 176.094 -0.019 0.000 1.040 348 V CA -0.524 61.754 62.300 -0.036 0.000 1.008 348 V CB 1.069 32.902 31.823 0.016 0.000 0.990 348 V HN 0.570 nan 8.190 nan 0.000 0.477 349 D N 8.499 128.886 120.400 -0.021 0.000 2.358 349 D HA 0.103 4.742 4.640 -0.001 0.000 0.258 349 D C -1.306 174.992 176.300 -0.003 0.000 1.223 349 D CA -1.541 52.452 54.000 -0.012 0.000 0.886 349 D CB 1.911 42.700 40.800 -0.017 0.000 1.120 349 D HN 0.297 nan 8.370 nan 0.000 0.482 350 P HA -0.034 nan 4.420 nan 0.000 0.229 350 P C 1.441 178.737 177.300 -0.005 0.000 1.160 350 P CA 0.493 63.590 63.100 -0.004 0.000 0.777 350 P CB 0.584 32.282 31.700 -0.003 0.000 0.814 351 L N -0.866 120.356 121.223 -0.002 0.000 2.286 351 L HA 0.087 4.426 4.340 -0.001 0.000 0.203 351 L C 2.001 178.863 176.870 -0.012 0.000 1.068 351 L CA 0.873 55.710 54.840 -0.004 0.000 0.811 351 L CB -0.767 41.293 42.059 0.002 0.000 0.989 351 L HN -0.177 nan 8.230 nan 0.000 0.467 352 D N 0.114 120.501 120.400 -0.021 0.000 2.178 352 D HA -0.068 4.571 4.640 -0.001 0.000 0.202 352 D C 0.768 177.047 176.300 -0.035 0.000 0.974 352 D CA 0.663 54.638 54.000 -0.042 0.000 0.841 352 D CB 0.062 40.824 40.800 -0.064 0.000 0.953 352 D HN 0.039 nan 8.370 nan 0.000 0.478 353 S N 0.862 116.558 115.700 -0.007 0.000 2.465 353 S HA 0.217 4.687 4.470 -0.001 0.000 0.280 353 S C 0.209 174.833 174.600 0.040 0.000 1.232 353 S CA -0.032 58.184 58.200 0.027 0.000 1.066 353 S CB 0.795 64.026 63.200 0.053 0.000 0.929 353 S HN 0.051 nan 8.310 nan 0.000 0.494 354 K N 1.565 121.996 120.400 0.053 0.000 2.375 354 K HA 0.596 4.915 4.320 -0.001 0.000 0.249 354 K C -0.736 175.911 176.600 0.078 0.000 0.942 354 K CA -0.527 55.795 56.287 0.057 0.000 0.806 354 K CB 1.985 34.513 32.500 0.046 0.000 1.227 354 K HN 0.496 nan 8.250 nan 0.000 0.430 355 S N 1.365 117.111 115.700 0.076 0.000 2.571 355 S HA 0.296 4.765 4.470 -0.001 0.000 0.284 355 S C 0.342 174.980 174.600 0.062 0.000 1.128 355 S CA -0.702 57.545 58.200 0.078 0.000 0.970 355 S CB 1.404 64.664 63.200 0.099 0.000 1.039 355 S HN 0.708 nan 8.310 nan 0.000 0.485 356 R N 2.705 123.234 120.500 0.049 0.000 2.152 356 R HA 0.092 4.431 4.340 -0.001 0.000 0.232 356 R C 1.238 177.555 176.300 0.028 0.000 1.117 356 R CA 1.332 57.455 56.100 0.037 0.000 0.981 356 R CB -0.253 30.062 30.300 0.025 0.000 0.870 356 R HN 0.685 nan 8.270 nan 0.000 0.451 357 L N 0.720 121.958 121.223 0.026 0.000 2.599 357 L HA 0.019 4.359 4.340 -0.001 0.000 0.230 357 L C 0.437 177.306 176.870 -0.002 0.000 1.141 357 L CA -0.202 54.640 54.840 0.004 0.000 0.877 357 L CB -0.077 41.980 42.059 -0.002 0.000 1.009 357 L HN 0.122 nan 8.230 nan 0.000 0.447 358 L N 1.528 122.777 121.223 0.042 0.000 2.400 358 L HA 0.166 4.505 4.340 -0.001 0.000 0.262 358 L C -0.632 176.356 176.870 0.197 0.000 1.309 358 L CA 0.665 55.564 54.840 0.098 0.000 1.186 358 L CB -0.762 41.366 42.059 0.114 0.000 1.375 358 L HN 0.037 nan 8.230 nan 0.000 0.433 359 D N 1.190 121.638 120.400 0.081 0.000 2.947 359 D HA 0.475 5.114 4.640 -0.001 0.000 0.224 359 D C 0.785 176.990 176.300 -0.158 0.000 1.230 359 D CA 0.126 54.072 54.000 -0.089 0.000 0.871 359 D CB 1.989 42.734 40.800 -0.091 0.000 1.671 359 D HN 0.215 nan 8.370 nan 0.000 0.507 360 A N 2.725 125.318 122.820 -0.378 0.000 2.032 360 A HA -0.024 4.296 4.320 -0.001 0.000 0.221 360 A C 2.011 179.527 177.584 -0.114 0.000 1.165 360 A CA 2.220 54.128 52.037 -0.214 0.000 0.645 360 A CB -0.729 18.102 19.000 -0.281 0.000 0.807 360 A HN 0.628 nan 8.150 nan 0.000 0.453 361 A N -1.059 121.687 122.820 -0.123 0.000 1.969 361 A HA 0.136 4.455 4.320 -0.001 0.000 0.218 361 A C 2.084 179.632 177.584 -0.059 0.000 1.169 361 A CA 1.760 53.750 52.037 -0.078 0.000 0.635 361 A CB -0.374 18.581 19.000 -0.075 0.000 0.810 361 A HN 0.408 nan 8.150 nan 0.000 0.445 362 V N -0.752 119.123 119.914 -0.066 0.000 2.788 362 V HA -0.052 4.067 4.120 -0.001 0.000 0.241 362 V C 2.211 178.264 176.094 -0.067 0.000 1.083 362 V CA 1.448 63.712 62.300 -0.059 0.000 1.103 362 V CB 0.394 32.182 31.823 -0.059 0.000 0.800 362 V HN 0.517 nan 8.190 nan 0.000 0.476 363 V N -1.788 118.067 119.914 -0.098 0.000 3.660 363 V HA 0.745 4.864 4.120 -0.001 0.000 0.276 363 V C 0.810 176.895 176.094 -0.015 0.000 1.317 363 V CA 0.279 62.490 62.300 -0.148 0.000 1.097 363 V CB -0.540 30.966 31.823 -0.527 0.000 0.863 363 V HN 0.803 nan 8.190 nan 0.000 0.438 364 G N 0.551 109.356 108.800 0.009 0.000 2.690 364 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.686 364 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.686 364 G C -0.141 174.817 174.900 0.096 0.000 1.277 364 G CA 0.282 45.414 45.100 0.053 0.000 0.799 364 G HN 0.473 nan 8.290 nan 0.000 0.613 365 Q N -0.053 119.797 119.800 0.083 0.000 2.020 365 Q HA -0.028 4.312 4.340 -0.001 0.000 0.202 365 Q C 2.514 178.616 176.000 0.171 0.000 0.982 365 Q CA 2.888 58.757 55.803 0.111 0.000 0.838 365 Q CB -0.258 28.523 28.738 0.072 0.000 0.899 365 Q HN 0.789 nan 8.270 nan 0.000 0.423 366 E N -0.648 119.635 120.200 0.139 0.000 2.033 366 E HA -0.276 4.074 4.350 -0.001 0.000 0.199 366 E C 2.020 178.722 176.600 0.170 0.000 1.011 366 E CA 1.300 57.779 56.400 0.132 0.000 0.815 366 E CB -0.520 29.240 29.700 0.100 0.000 0.755 366 E HN 0.494 nan 8.360 nan 0.000 0.451 367 H N 0.261 119.379 119.070 0.080 0.000 2.321 367 H HA -0.226 4.330 4.556 -0.001 0.000 0.295 367 H C 1.997 177.371 175.328 0.076 0.000 1.102 367 H CA 2.051 58.138 56.048 0.066 0.000 1.266 367 H CB -0.474 29.325 29.762 0.063 0.000 1.363 367 H HN 0.265 nan 8.280 nan 0.000 0.492 368 Y N 1.518 121.944 120.300 0.210 0.000 2.163 368 Y HA -0.158 4.392 4.550 -0.001 0.000 0.288 368 Y C 2.280 178.236 175.900 0.092 0.000 1.136 368 Y CA 1.933 60.106 58.100 0.121 0.000 1.147 368 Y CB -0.263 38.226 38.460 0.049 0.000 0.987 368 Y HN 0.164 nan 8.280 nan 0.000 0.509 369 D N -0.500 119.992 120.400 0.153 0.000 2.144 369 D HA -0.175 4.464 4.640 -0.001 0.000 0.199 369 D C 2.402 178.692 176.300 -0.017 0.000 0.984 369 D CA 1.608 55.639 54.000 0.052 0.000 0.834 369 D CB -0.408 40.462 40.800 0.117 0.000 0.955 369 D HN 0.316 nan 8.370 nan 0.000 0.465 370 V N 1.619 121.543 119.914 0.016 0.000 2.261 370 V HA -0.248 3.872 4.120 -0.001 0.000 0.246 370 V C 2.612 178.674 176.094 -0.053 0.000 1.047 370 V CA 1.911 64.212 62.300 0.003 0.000 1.015 370 V CB -0.927 30.899 31.823 0.005 0.000 0.642 370 V HN 0.181 nan 8.190 nan 0.000 0.446 371 A N -0.191 122.577 122.820 -0.087 0.000 1.908 371 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 371 A C 2.474 179.954 177.584 -0.174 0.000 1.181 371 A CA 2.486 54.446 52.037 -0.128 0.000 0.627 371 A CB -0.780 18.186 19.000 -0.056 0.000 0.818 371 A HN 0.530 nan 8.150 nan 0.000 0.445 372 S N -0.399 115.134 115.700 -0.280 0.000 2.368 372 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 372 S C 1.958 176.484 174.600 -0.124 0.000 1.029 372 S CA 1.510 59.544 58.200 -0.275 0.000 0.988 372 S CB -0.224 62.716 63.200 -0.433 0.000 0.838 372 S HN 0.611 nan 8.310 nan 0.000 0.462 373 K N 0.748 121.100 120.400 -0.080 0.000 2.057 373 K HA -0.037 4.283 4.320 -0.001 0.000 0.207 373 K C 2.077 178.674 176.600 -0.005 0.000 1.049 373 K CA 1.103 57.377 56.287 -0.022 0.000 0.931 373 K CB -0.426 32.078 32.500 0.007 0.000 0.714 373 K HN 0.146 nan 8.250 nan 0.000 0.440 374 V N 1.856 121.765 119.914 -0.008 0.000 2.287 374 V HA -0.308 3.812 4.120 -0.001 0.000 0.248 374 V C 2.251 178.341 176.094 -0.007 0.000 1.053 374 V CA 1.802 64.108 62.300 0.011 0.000 1.027 374 V CB -0.477 31.331 31.823 -0.023 0.000 0.646 374 V HN 0.389 nan 8.190 nan 0.000 0.447 375 Q N -0.675 119.103 119.800 -0.036 0.000 2.124 375 Q HA -0.253 4.087 4.340 -0.001 0.000 0.202 375 Q C 2.364 178.362 176.000 -0.004 0.000 0.977 375 Q CA 1.780 57.567 55.803 -0.026 0.000 0.850 375 Q CB -0.174 28.536 28.738 -0.046 0.000 0.901 375 Q HN 0.693 nan 8.270 nan 0.000 0.429 376 E N -0.120 120.076 120.200 -0.006 0.000 2.106 376 E HA -0.141 4.209 4.350 -0.001 0.000 0.192 376 E C 1.681 178.298 176.600 0.028 0.000 0.984 376 E CA 1.316 57.721 56.400 0.009 0.000 0.806 376 E CB 0.234 29.937 29.700 0.005 0.000 0.750 376 E HN 0.302 nan 8.360 nan 0.000 0.458 377 T N 1.534 116.105 114.554 0.030 0.000 2.652 377 T HA -0.163 4.187 4.350 -0.001 0.000 0.267 377 T C 1.909 176.652 174.700 0.071 0.000 1.039 377 T CA 1.188 63.313 62.100 0.043 0.000 1.153 377 T CB -0.221 68.664 68.868 0.029 0.000 0.863 377 T HN 0.155 nan 8.240 nan 0.000 0.428 378 L N 0.571 121.830 121.223 0.059 0.000 2.141 378 L HA -0.063 4.276 4.340 -0.001 0.000 0.209 378 L C 2.836 179.786 176.870 0.133 0.000 1.094 378 L CA 0.893 55.790 54.840 0.096 0.000 0.763 378 L CB -0.442 41.650 42.059 0.054 0.000 0.908 378 L HN 0.186 nan 8.230 nan 0.000 0.437 379 Q N 0.213 120.059 119.800 0.078 0.000 2.046 379 Q HA -0.154 4.186 4.340 -0.001 0.000 0.200 379 Q C 2.247 178.282 176.000 0.058 0.000 0.975 379 Q CA 2.417 58.254 55.803 0.057 0.000 0.836 379 Q CB -0.353 28.403 28.738 0.030 0.000 0.896 379 Q HN 0.551 nan 8.270 nan 0.000 0.428 380 T N -1.447 113.147 114.554 0.067 0.000 2.788 380 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 380 T C 1.654 176.402 174.700 0.081 0.000 1.044 380 T CA 1.329 63.464 62.100 0.059 0.000 1.139 380 T CB -0.782 68.120 68.868 0.057 0.000 0.867 380 T HN 0.385 nan 8.240 nan 0.000 0.454 381 Y N 2.415 122.715 120.300 -0.001 0.000 2.145 381 Y HA -0.033 4.517 4.550 -0.000 0.000 0.286 381 Y C 2.579 178.478 175.900 -0.003 0.000 1.145 381 Y CA 1.563 59.662 58.100 -0.002 0.000 1.148 381 Y CB -0.304 38.156 38.460 0.000 0.000 0.981 381 Y HN 0.087 nan 8.280 nan 0.000 0.507 382 K N -0.041 120.369 120.400 0.016 0.000 2.044 382 K HA -0.210 4.109 4.320 -0.001 0.000 0.210 382 K C 2.209 178.741 176.600 -0.114 0.000 1.049 382 K CA 2.116 58.363 56.287 -0.066 0.000 0.927 382 K CB -0.344 32.167 32.500 0.020 0.000 0.713 382 K HN 0.523 nan 8.250 nan 0.000 0.443 383 S N 0.831 116.490 115.700 -0.067 0.000 2.383 383 S HA -0.104 4.365 4.470 -0.001 0.000 0.227 383 S C 1.936 176.483 174.600 -0.088 0.000 1.026 383 S CA 0.921 59.085 58.200 -0.061 0.000 0.981 383 S CB -0.430 62.752 63.200 -0.030 0.000 0.818 383 S HN 0.307 nan 8.310 nan 0.000 0.472 384 L N 1.131 122.283 121.223 -0.118 0.000 2.552 384 L HA 0.062 4.402 4.340 -0.001 0.000 0.227 384 L C 2.709 179.470 176.870 -0.180 0.000 1.146 384 L CA 0.313 55.079 54.840 -0.123 0.000 0.858 384 L CB -0.504 41.498 42.059 -0.094 0.000 0.969 384 L HN 0.287 nan 8.230 nan 0.000 0.451 385 Q N 0.363 120.009 119.800 -0.257 0.000 2.197 385 Q HA -0.232 4.108 4.340 -0.001 0.000 0.207 385 Q C 1.396 177.310 176.000 -0.143 0.000 0.984 385 Q CA 1.529 57.176 55.803 -0.260 0.000 0.869 385 Q CB -0.149 28.437 28.738 -0.254 0.000 0.906 385 Q HN 0.620 nan 8.270 nan 0.000 0.426 386 D N 0.497 120.834 120.400 -0.106 0.000 2.103 386 D HA -0.106 4.533 4.640 -0.001 0.000 0.199 386 D C 2.069 178.335 176.300 -0.057 0.000 0.978 386 D CA 1.094 55.052 54.000 -0.069 0.000 0.829 386 D CB -0.192 40.575 40.800 -0.055 0.000 0.981 386 D HN 0.441 nan 8.370 nan 0.000 0.464 387 I N -1.515 119.021 120.570 -0.057 0.000 2.928 387 I HA -0.093 4.076 4.170 -0.001 0.000 0.266 387 I C 1.913 178.005 176.117 -0.041 0.000 1.234 387 I CA 0.483 61.757 61.300 -0.042 0.000 1.483 387 I CB -0.102 37.877 38.000 -0.035 0.000 1.097 387 I HN -0.189 nan 8.210 nan 0.000 0.455 388 I N 2.474 123.010 120.570 -0.057 0.000 2.286 388 I HA -0.142 4.027 4.170 -0.001 0.000 0.245 388 I C 2.918 179.013 176.117 -0.037 0.000 1.104 388 I CA 1.544 62.815 61.300 -0.048 0.000 1.397 388 I CB -1.515 36.442 38.000 -0.072 0.000 1.072 388 I HN 0.351 nan 8.210 nan 0.000 0.417 389 A N 0.232 123.026 122.820 -0.044 0.000 2.070 389 A HA -0.093 4.227 4.320 -0.001 0.000 0.220 389 A C 2.210 179.780 177.584 -0.023 0.000 1.159 389 A CA 1.480 53.497 52.037 -0.033 0.000 0.656 389 A CB -0.369 18.609 19.000 -0.037 0.000 0.800 389 A HN 0.485 nan 8.150 nan 0.000 0.453 390 I N -2.749 117.807 120.570 -0.023 0.000 4.033 390 I HA 0.125 4.294 4.170 -0.001 0.000 0.296 390 I C 1.764 177.872 176.117 -0.015 0.000 1.210 390 I CA 0.194 61.483 61.300 -0.017 0.000 1.341 390 I CB 0.057 38.047 38.000 -0.017 0.000 1.369 390 I HN 0.085 nan 8.210 nan 0.000 0.453 391 L N 0.799 122.013 121.223 -0.016 0.000 2.416 391 L HA 0.388 4.727 4.340 -0.001 0.000 0.216 391 L C 1.043 177.907 176.870 -0.010 0.000 1.098 391 L CA 0.506 55.339 54.840 -0.013 0.000 0.840 391 L CB -0.285 41.766 42.059 -0.013 0.000 0.981 391 L HN 0.441 nan 8.230 nan 0.000 0.462 392 G N -0.483 108.310 108.800 -0.011 0.000 2.710 392 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.668 392 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.668 392 G C 0.030 174.927 174.900 -0.005 0.000 1.320 392 G CA -0.279 44.817 45.100 -0.007 0.000 0.860 392 G HN -0.036 nan 8.290 nan 0.000 0.538 393 M N 0.143 119.744 119.600 0.001 0.000 2.618 393 M HA 0.076 4.556 4.480 -0.001 0.000 0.240 393 M C 1.429 177.733 176.300 0.006 0.000 1.123 393 M CA 0.905 56.209 55.300 0.006 0.000 1.060 393 M CB -0.200 32.408 32.600 0.015 0.000 1.535 393 M HN 0.534 nan 8.290 nan 0.000 0.507 394 D N 0.785 121.186 120.400 0.002 0.000 2.224 394 D HA -0.077 4.563 4.640 -0.001 0.000 0.205 394 D C 0.672 176.973 176.300 0.001 0.000 0.965 394 D CA 0.937 54.938 54.000 0.002 0.000 0.852 394 D CB 0.097 40.898 40.800 0.001 0.000 0.947 394 D HN 0.176 nan 8.370 nan 0.000 0.494 395 E N 0.708 120.908 120.200 -0.001 0.000 2.232 395 E HA 0.249 4.598 4.350 -0.001 0.000 0.296 395 E C -0.286 176.313 176.600 -0.001 0.000 1.372 395 E CA -0.016 56.383 56.400 -0.002 0.000 1.527 395 E CB 0.055 29.752 29.700 -0.005 0.000 1.424 395 E HN 0.307 nan 8.360 nan 0.000 0.485 396 L N 0.591 121.816 121.223 0.003 0.000 2.482 396 L HA 0.225 4.564 4.340 -0.001 0.000 0.263 396 L C 0.256 177.130 176.870 0.007 0.000 0.957 396 L CA -0.855 53.988 54.840 0.006 0.000 0.836 396 L CB 2.159 44.224 42.059 0.011 0.000 1.324 396 L HN 0.095 nan 8.230 nan 0.000 0.406 397 S N 0.439 116.144 115.700 0.008 0.000 2.593 397 S HA 0.177 4.646 4.470 -0.001 0.000 0.269 397 S C 0.866 175.472 174.600 0.011 0.000 1.334 397 S CA -0.685 57.520 58.200 0.008 0.000 1.015 397 S CB 1.244 64.448 63.200 0.008 0.000 0.912 397 S HN 0.643 nan 8.310 nan 0.000 0.541 398 E N 1.000 121.206 120.200 0.009 0.000 2.086 398 E HA -0.270 4.079 4.350 -0.001 0.000 0.200 398 E C 1.916 178.523 176.600 0.012 0.000 1.012 398 E CA 1.640 58.046 56.400 0.010 0.000 0.812 398 E CB -0.419 29.286 29.700 0.008 0.000 0.743 398 E HN 0.860 nan 8.360 nan 0.000 0.453 399 Q N 0.288 120.095 119.800 0.012 0.000 2.167 399 Q HA -0.152 4.187 4.340 -0.001 0.000 0.202 399 Q C 1.517 177.528 176.000 0.019 0.000 0.970 399 Q CA 1.103 56.915 55.803 0.014 0.000 0.855 399 Q CB 0.182 28.928 28.738 0.014 0.000 0.911 399 Q HN 0.254 nan 8.270 nan 0.000 0.438 400 D N 0.493 120.904 120.400 0.020 0.000 2.120 400 D HA -0.129 4.511 4.640 -0.001 0.000 0.202 400 D C 1.830 178.150 176.300 0.034 0.000 0.972 400 D CA 1.280 55.296 54.000 0.027 0.000 0.837 400 D CB 0.019 40.832 40.800 0.022 0.000 0.989 400 D HN 0.404 nan 8.370 nan 0.000 0.469 401 K N 0.892 121.309 120.400 0.027 0.000 2.209 401 K HA -0.125 4.194 4.320 -0.001 0.000 0.204 401 K C 2.179 178.796 176.600 0.028 0.000 1.048 401 K CA 0.750 57.055 56.287 0.030 0.000 0.940 401 K CB -0.271 32.242 32.500 0.022 0.000 0.729 401 K HN 0.033 nan 8.250 nan 0.000 0.451 402 L N 2.666 123.902 121.223 0.021 0.000 2.044 402 L HA -0.114 4.226 4.340 -0.001 0.000 0.205 402 L C 2.324 179.201 176.870 0.011 0.000 1.075 402 L CA 2.389 57.237 54.840 0.013 0.000 0.747 402 L CB -0.829 41.237 42.059 0.010 0.000 0.903 402 L HN 0.484 nan 8.230 nan 0.000 0.435 403 T N -3.968 110.599 114.554 0.022 0.000 2.867 403 T HA -0.119 4.230 4.350 -0.001 0.000 0.268 403 T C 1.882 176.601 174.700 0.032 0.000 1.057 403 T CA 1.319 63.433 62.100 0.023 0.000 1.136 403 T CB -1.014 67.875 68.868 0.034 0.000 0.874 403 T HN 0.152 nan 8.240 nan 0.000 0.466 404 V N 1.728 121.685 119.914 0.072 0.000 2.358 404 V HA -0.117 4.002 4.120 -0.001 0.000 0.246 404 V C 2.766 178.884 176.094 0.041 0.000 1.047 404 V CA 1.979 64.367 62.300 0.148 0.000 1.035 404 V CB -0.662 31.282 31.823 0.202 0.000 0.658 404 V HN 0.580 nan 8.190 nan 0.000 0.452 405 E N 0.127 120.335 120.200 0.014 0.000 2.077 405 E HA -0.277 4.073 4.350 -0.001 0.000 0.193 405 E C 2.398 178.940 176.600 -0.097 0.000 0.989 405 E CA 1.411 57.794 56.400 -0.028 0.000 0.800 405 E CB -0.025 29.667 29.700 -0.012 0.000 0.746 405 E HN 0.425 nan 8.360 nan 0.000 0.452 406 R N -0.232 120.214 120.500 -0.090 0.000 2.090 406 R HA -0.037 4.303 4.340 -0.001 0.000 0.228 406 R C 2.183 178.374 176.300 -0.181 0.000 1.110 406 R CA 1.171 57.192 56.100 -0.133 0.000 0.973 406 R CB -0.193 30.066 30.300 -0.068 0.000 0.869 406 R HN 0.204 nan 8.270 nan 0.000 0.440 407 A N 0.684 123.394 122.820 -0.182 0.000 1.902 407 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 407 A C 2.038 179.366 177.584 -0.426 0.000 1.181 407 A CA 1.342 53.205 52.037 -0.291 0.000 0.623 407 A CB -0.439 18.342 19.000 -0.365 0.000 0.818 407 A HN 0.266 nan 8.150 nan 0.000 0.443 408 R N -0.265 119.968 120.500 -0.445 0.000 2.105 408 R HA -0.165 4.174 4.340 -0.001 0.000 0.239 408 R C 2.192 178.344 176.300 -0.248 0.000 1.135 408 R CA 1.896 57.790 56.100 -0.345 0.000 0.967 408 R CB -0.264 29.921 30.300 -0.191 0.000 0.861 408 R HN 0.569 nan 8.270 nan 0.000 0.442 409 K N 0.194 120.399 120.400 -0.324 0.000 2.007 409 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 409 K C 2.143 178.508 176.600 -0.393 0.000 1.047 409 K CA 1.134 57.093 56.287 -0.546 0.000 0.937 409 K CB -0.161 31.750 32.500 -0.982 0.000 0.718 409 K HN 0.085 nan 8.250 nan 0.000 0.438 410 I N 1.690 122.116 120.570 -0.239 0.000 2.118 410 I HA -0.386 3.783 4.170 -0.001 0.000 0.241 410 I C 2.881 179.091 176.117 0.155 0.000 1.070 410 I CA 1.482 62.809 61.300 0.045 0.000 1.327 410 I CB -0.373 37.693 38.000 0.110 0.000 1.034 410 I HN 0.302 nan 8.210 nan 0.000 0.405 411 Q N 0.989 120.800 119.800 0.018 0.000 2.047 411 Q HA -0.288 4.052 4.340 -0.001 0.000 0.211 411 Q C 2.397 178.473 176.000 0.126 0.000 1.005 411 Q CA 2.078 57.903 55.803 0.036 0.000 0.866 411 Q CB -0.082 28.614 28.738 -0.071 0.000 0.938 411 Q HN 0.416 nan 8.270 nan 0.000 0.414 412 R N -0.864 119.717 120.500 0.135 0.000 2.148 412 R HA -0.107 4.233 4.340 -0.001 0.000 0.227 412 R C 2.079 178.594 176.300 0.359 0.000 1.103 412 R CA 0.848 57.110 56.100 0.270 0.000 0.983 412 R CB -0.226 30.242 30.300 0.281 0.000 0.874 412 R HN 0.297 nan 8.270 nan 0.000 0.451 413 F N 1.123 121.151 119.950 0.130 0.000 2.502 413 F HA 0.042 4.568 4.527 -0.001 0.000 0.298 413 F C 1.533 177.500 175.800 0.277 0.000 1.111 413 F CA 0.637 58.731 58.000 0.156 0.000 1.445 413 F CB -0.072 38.892 39.000 -0.060 0.000 1.081 413 F HN -0.089 nan 8.300 nan 0.000 0.558 414 L N -0.395 121.035 121.223 0.345 0.000 2.478 414 L HA -0.005 4.334 4.340 -0.001 0.000 0.223 414 L C 1.414 178.348 176.870 0.106 0.000 1.140 414 L CA 0.294 55.248 54.840 0.189 0.000 0.842 414 L CB -0.708 41.426 42.059 0.125 0.000 0.953 414 L HN 0.051 nan 8.230 nan 0.000 0.452 415 S N -0.377 115.390 115.700 0.111 0.000 2.614 415 S HA 0.390 4.859 4.470 -0.001 0.000 0.265 415 S C -0.310 174.280 174.600 -0.016 0.000 1.303 415 S CA -0.505 57.703 58.200 0.012 0.000 1.000 415 S CB 1.868 65.034 63.200 -0.057 0.000 0.935 415 S HN 0.262 nan 8.310 nan 0.000 0.551 416 Q N 0.354 120.092 119.800 -0.103 0.000 2.443 416 Q HA 0.352 4.691 4.340 -0.001 0.000 0.258 416 Q C -3.124 172.761 176.000 -0.192 0.000 0.967 416 Q CA -1.641 54.119 55.803 -0.071 0.000 0.951 416 Q CB 2.149 30.927 28.738 0.067 0.000 1.459 416 Q HN 0.559 nan 8.270 nan 0.000 0.415 417 P HA 0.211 nan 4.420 nan 0.000 0.275 417 P C -1.059 176.322 177.300 0.136 0.000 1.227 417 P CA -0.047 63.007 63.100 -0.077 0.000 0.781 417 P CB 0.340 32.022 31.700 -0.030 0.000 0.906 418 F N 1.060 121.005 119.950 -0.008 0.000 2.420 418 F HA 0.393 4.919 4.527 -0.001 0.000 0.342 418 F C 1.669 177.464 175.800 -0.008 0.000 1.113 418 F CA -1.553 56.440 58.000 -0.010 0.000 1.059 418 F CB 0.680 39.678 39.000 -0.004 0.000 1.128 418 F HN 0.390 nan 8.300 nan 0.000 0.475 419 A N 2.795 125.710 122.820 0.159 0.000 1.917 419 A HA -0.176 4.144 4.320 -0.001 0.000 0.219 419 A C 2.177 179.807 177.584 0.076 0.000 1.182 419 A CA 2.558 54.639 52.037 0.072 0.000 0.633 419 A CB -1.149 17.859 19.000 0.012 0.000 0.819 419 A HN 0.724 nan 8.150 nan 0.000 0.448 420 V N -3.001 116.959 119.914 0.076 0.000 2.720 420 V HA 0.043 4.163 4.120 -0.001 0.000 0.256 420 V C 2.153 178.350 176.094 0.172 0.000 1.082 420 V CA 1.829 64.183 62.300 0.091 0.000 1.101 420 V CB -1.209 30.645 31.823 0.053 0.000 0.693 420 V HN 0.597 nan 8.190 nan 0.000 0.479 421 A N -0.336 122.602 122.820 0.197 0.000 2.307 421 A HA 0.195 4.514 4.320 -0.001 0.000 0.218 421 A C 2.053 179.759 177.584 0.203 0.000 1.228 421 A CA 0.607 52.779 52.037 0.224 0.000 0.857 421 A CB -0.446 18.626 19.000 0.120 0.000 0.897 421 A HN 0.661 nan 8.150 nan 0.000 0.495 422 E N 0.318 120.600 120.200 0.136 0.000 2.106 422 E HA -0.146 4.203 4.350 -0.001 0.000 0.192 422 E C 1.899 178.526 176.600 0.046 0.000 0.984 422 E CA 1.620 58.065 56.400 0.074 0.000 0.806 422 E CB -0.146 29.581 29.700 0.045 0.000 0.750 422 E HN 0.524 nan 8.360 nan 0.000 0.458 423 V N -1.175 118.754 119.914 0.025 0.000 2.407 423 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 423 V C 1.912 177.888 176.094 -0.195 0.000 1.055 423 V CA 1.523 63.748 62.300 -0.124 0.000 1.049 423 V CB -0.939 30.738 31.823 -0.244 0.000 0.662 423 V HN 0.164 nan 8.190 nan 0.000 0.455 424 F N 1.957 121.893 119.950 -0.022 0.000 2.512 424 F HA 0.076 4.603 4.527 -0.001 0.000 0.296 424 F C 2.529 178.308 175.800 -0.034 0.000 1.110 424 F CA 1.424 59.407 58.000 -0.029 0.000 1.446 424 F CB -0.350 38.628 39.000 -0.037 0.000 1.092 424 F HN 0.386 nan 8.300 nan 0.000 0.554 425 T N -5.282 109.350 114.554 0.130 0.000 2.987 425 T HA 0.441 4.791 4.350 -0.001 0.000 0.248 425 T C 1.896 176.616 174.700 0.033 0.000 0.997 425 T CA 0.603 62.741 62.100 0.063 0.000 1.013 425 T CB 0.403 69.289 68.868 0.029 0.000 1.077 425 T HN 0.284 nan 8.240 nan 0.000 0.483 426 G N 1.652 110.466 108.800 0.025 0.000 2.225 426 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.254 426 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.254 426 G C -0.049 174.859 174.900 0.012 0.000 0.988 426 G CA 0.077 45.183 45.100 0.011 0.000 0.625 426 G HN 0.632 nan 8.290 nan 0.000 0.527 427 I N 4.099 124.678 120.570 0.015 0.000 2.396 427 I HA 0.331 4.501 4.170 -0.001 0.000 0.289 427 I C -1.463 174.662 176.117 0.013 0.000 1.056 427 I CA -2.200 59.105 61.300 0.009 0.000 1.365 427 I CB 0.932 38.932 38.000 -0.001 0.000 1.407 427 I HN -0.070 nan 8.210 nan 0.000 0.509 428 P HA 0.081 nan 4.420 nan 0.000 0.264 428 P C 0.091 177.403 177.300 0.020 0.000 1.193 428 P CA -0.121 62.987 63.100 0.012 0.000 0.763 428 P CB 0.558 32.261 31.700 0.004 0.000 0.810 429 G N 3.190 112.012 108.800 0.036 0.000 2.448 429 G HA2 0.422 4.382 3.960 -0.001 0.000 0.285 429 G HA3 0.422 4.382 3.960 -0.001 0.000 0.285 429 G C -0.532 174.397 174.900 0.049 0.000 1.176 429 G CA -0.511 44.626 45.100 0.063 0.000 0.852 429 G HN 0.303 nan 8.290 nan 0.000 0.530 430 K N 0.629 121.072 120.400 0.070 0.000 2.324 430 K HA 0.387 4.706 4.320 -0.001 0.000 0.253 430 K C -1.236 175.390 176.600 0.044 0.000 0.932 430 K CA -0.718 55.596 56.287 0.045 0.000 0.799 430 K CB 2.788 35.312 32.500 0.040 0.000 1.154 430 K HN 0.368 nan 8.250 nan 0.000 0.425 431 L N 3.051 124.275 121.223 0.001 0.000 2.318 431 L HA 0.305 4.644 4.340 -0.001 0.000 0.277 431 L C -1.013 175.841 176.870 -0.026 0.000 1.008 431 L CA -0.849 53.973 54.840 -0.030 0.000 0.846 431 L CB 1.161 43.179 42.059 -0.068 0.000 1.220 431 L HN 0.228 nan 8.230 nan 0.000 0.423 432 V N 5.199 125.103 119.914 -0.017 0.000 2.498 432 V HA 0.399 4.519 4.120 -0.001 0.000 0.279 432 V C 0.556 176.633 176.094 -0.029 0.000 1.048 432 V CA -0.640 61.652 62.300 -0.014 0.000 0.967 432 V CB 1.226 33.046 31.823 -0.006 0.000 0.988 432 V HN 0.700 nan 8.190 nan 0.000 0.473 433 R N 2.482 122.969 120.500 -0.022 0.000 2.490 433 R HA 0.180 4.520 4.340 -0.001 0.000 0.280 433 R C 1.120 177.412 176.300 -0.012 0.000 1.077 433 R CA -0.572 55.516 56.100 -0.020 0.000 1.065 433 R CB 0.820 31.112 30.300 -0.012 0.000 1.003 433 R HN 0.652 nan 8.270 nan 0.000 0.470 434 L N 3.892 125.113 121.223 -0.004 0.000 1.997 434 L HA -0.289 4.050 4.340 -0.001 0.000 0.216 434 L C 1.885 178.752 176.870 -0.006 0.000 1.074 434 L CA 2.002 56.843 54.840 0.001 0.000 0.763 434 L CB -0.222 41.866 42.059 0.048 0.000 0.890 434 L HN 0.520 nan 8.230 nan 0.000 0.434 435 K N -0.217 120.192 120.400 0.015 0.000 2.074 435 K HA -0.200 4.119 4.320 -0.001 0.000 0.209 435 K C 1.849 178.459 176.600 0.016 0.000 1.048 435 K CA 1.888 58.187 56.287 0.019 0.000 0.926 435 K CB -0.756 31.760 32.500 0.026 0.000 0.713 435 K HN 0.532 nan 8.250 nan 0.000 0.444 436 D N 0.186 120.596 120.400 0.017 0.000 2.117 436 D HA -0.083 4.556 4.640 -0.001 0.000 0.198 436 D C 1.891 178.217 176.300 0.044 0.000 0.982 436 D CA 1.201 55.221 54.000 0.033 0.000 0.828 436 D CB -0.377 40.440 40.800 0.028 0.000 0.967 436 D HN 0.188 nan 8.370 nan 0.000 0.464 437 T N 1.126 115.686 114.554 0.010 0.000 2.708 437 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 437 T C 2.341 177.059 174.700 0.030 0.000 1.037 437 T CA 0.866 62.971 62.100 0.009 0.000 1.146 437 T CB -0.416 68.400 68.868 -0.086 0.000 0.865 437 T HN -0.029 nan 8.240 nan 0.000 0.435 438 V N 1.825 121.700 119.914 -0.065 0.000 2.255 438 V HA -0.207 3.912 4.120 -0.001 0.000 0.247 438 V C 2.932 179.055 176.094 0.049 0.000 1.051 438 V CA 1.875 64.122 62.300 -0.087 0.000 1.018 438 V CB -1.302 30.432 31.823 -0.148 0.000 0.641 438 V HN 0.554 nan 8.190 nan 0.000 0.445 439 A N -0.408 122.452 122.820 0.067 0.000 1.902 439 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 439 A C 2.480 180.157 177.584 0.155 0.000 1.181 439 A CA 2.276 54.373 52.037 0.100 0.000 0.623 439 A CB -0.773 18.276 19.000 0.082 0.000 0.818 439 A HN 0.517 nan 8.150 nan 0.000 0.443 440 S N -0.776 115.032 115.700 0.180 0.000 2.359 440 S HA -0.136 4.334 4.470 -0.001 0.000 0.224 440 S C 1.626 176.388 174.600 0.269 0.000 1.035 440 S CA 1.662 60.001 58.200 0.231 0.000 1.018 440 S CB -0.535 62.823 63.200 0.264 0.000 0.876 440 S HN 0.535 nan 8.310 nan 0.000 0.448 441 F N 1.650 121.693 119.950 0.154 0.000 2.259 441 F HA 0.072 4.598 4.527 -0.001 0.000 0.298 441 F C 2.290 178.162 175.800 0.121 0.000 1.088 441 F CA 0.860 58.952 58.000 0.153 0.000 1.358 441 F CB -0.240 38.773 39.000 0.021 0.000 1.040 441 F HN 0.077 nan 8.300 nan 0.000 0.505 442 K N 0.471 121.022 120.400 0.253 0.000 2.063 442 K HA -0.203 4.117 4.320 -0.001 0.000 0.208 442 K C 2.234 178.928 176.600 0.156 0.000 1.048 442 K CA 1.344 57.730 56.287 0.165 0.000 0.928 442 K CB -0.295 32.276 32.500 0.119 0.000 0.713 442 K HN 0.215 nan 8.250 nan 0.000 0.442 443 A N 0.444 123.375 122.820 0.185 0.000 1.969 443 A HA -0.084 4.236 4.320 -0.001 0.000 0.218 443 A C 2.176 179.897 177.584 0.228 0.000 1.169 443 A CA 1.427 53.586 52.037 0.203 0.000 0.635 443 A CB -0.414 18.770 19.000 0.306 0.000 0.810 443 A HN 0.176 nan 8.150 nan 0.000 0.445 444 V N 0.066 120.123 119.914 0.238 0.000 2.307 444 V HA -0.237 3.883 4.120 -0.001 0.000 0.245 444 V C 2.502 178.662 176.094 0.109 0.000 1.045 444 V CA 1.863 64.274 62.300 0.185 0.000 1.024 444 V CB -0.827 31.040 31.823 0.074 0.000 0.651 444 V HN 0.572 nan 8.190 nan 0.000 0.449 445 L N -0.143 121.149 121.223 0.114 0.000 2.187 445 L HA -0.212 4.128 4.340 -0.001 0.000 0.213 445 L C 2.434 179.340 176.870 0.060 0.000 1.100 445 L CA 1.578 56.469 54.840 0.085 0.000 0.765 445 L CB -0.548 41.571 42.059 0.099 0.000 0.904 445 L HN 0.436 nan 8.230 nan 0.000 0.437 446 E N -0.505 119.732 120.200 0.061 0.000 2.371 446 E HA 0.039 4.389 4.350 -0.001 0.000 0.194 446 E C 1.222 177.834 176.600 0.020 0.000 1.012 446 E CA 0.536 56.959 56.400 0.037 0.000 0.860 446 E CB 0.216 29.937 29.700 0.035 0.000 0.811 446 E HN 0.499 nan 8.360 nan 0.000 0.502 447 G N 1.728 110.544 108.800 0.026 0.000 2.145 447 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.176 447 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.176 447 G C 0.463 175.345 174.900 -0.030 0.000 1.013 447 G CA -0.006 45.099 45.100 0.009 0.000 0.689 447 G HN 0.139 nan 8.290 nan 0.000 0.506 448 K N -0.683 119.678 120.400 -0.064 0.000 2.458 448 K HA 0.331 4.650 4.320 -0.001 0.000 0.194 448 K C 0.192 176.471 176.600 -0.534 0.000 1.024 448 K CA 0.313 56.429 56.287 -0.284 0.000 1.108 448 K CB 0.165 32.443 32.500 -0.370 0.000 0.846 448 K HN 0.513 nan 8.250 nan 0.000 0.518 449 Y N -0.889 119.431 120.300 0.034 0.000 2.810 449 Y HA 0.099 4.648 4.550 -0.001 0.000 0.244 449 Y C 0.215 176.168 175.900 0.088 0.000 1.092 449 Y CA -0.749 57.390 58.100 0.066 0.000 1.130 449 Y CB 0.505 39.035 38.460 0.116 0.000 1.219 449 Y HN -0.024 nan 8.280 nan 0.000 0.616 450 D N 0.337 120.806 120.400 0.115 0.000 2.183 450 D HA -0.137 4.502 4.640 -0.001 0.000 0.203 450 D C 1.751 178.096 176.300 0.075 0.000 0.969 450 D CA 1.349 55.392 54.000 0.072 0.000 0.842 450 D CB -0.060 40.755 40.800 0.025 0.000 0.957 450 D HN 0.445 nan 8.370 nan 0.000 0.484 451 N N 0.827 119.567 118.700 0.067 0.000 2.571 451 N HA -0.110 4.629 4.740 -0.001 0.000 0.189 451 N C 0.228 175.786 175.510 0.080 0.000 1.154 451 N CA 0.238 53.321 53.050 0.055 0.000 0.907 451 N CB -0.019 38.484 38.487 0.028 0.000 0.977 451 N HN 0.101 nan 8.380 nan 0.000 0.449 452 I N 2.925 123.579 120.570 0.139 0.000 2.371 452 I HA 0.257 4.427 4.170 -0.001 0.000 0.290 452 I C -1.964 174.263 176.117 0.182 0.000 1.028 452 I CA -2.608 58.776 61.300 0.140 0.000 1.345 452 I CB 0.583 38.665 38.000 0.137 0.000 1.407 452 I HN -0.073 nan 8.210 nan 0.000 0.501 453 P HA 0.071 nan 4.420 nan 0.000 0.267 453 P C 0.530 177.955 177.300 0.209 0.000 1.200 453 P CA -0.049 63.125 63.100 0.123 0.000 0.772 453 P CB 0.981 32.730 31.700 0.081 0.000 0.855 454 E N 0.550 120.859 120.200 0.182 0.000 2.160 454 E HA -0.253 4.096 4.350 -0.001 0.000 0.195 454 E C 1.529 178.308 176.600 0.299 0.000 0.991 454 E CA 1.186 57.713 56.400 0.211 0.000 0.810 454 E CB -0.351 29.401 29.700 0.086 0.000 0.742 454 E HN 0.585 nan 8.360 nan 0.000 0.466 455 H N -0.192 118.943 119.070 0.110 0.000 2.546 455 H HA 0.125 4.680 4.556 -0.001 0.000 0.277 455 H C 1.538 176.926 175.328 0.100 0.000 1.004 455 H CA 0.907 57.009 56.048 0.090 0.000 1.231 455 H CB 0.075 29.852 29.762 0.027 0.000 1.382 455 H HN 0.143 nan 8.280 nan 0.000 0.580 456 A N -0.791 122.017 122.820 -0.021 0.000 2.119 456 A HA 0.007 4.326 4.320 -0.001 0.000 0.216 456 A C 1.295 178.624 177.584 -0.425 0.000 1.152 456 A CA 0.530 52.405 52.037 -0.270 0.000 0.708 456 A CB -0.653 18.132 19.000 -0.358 0.000 0.805 456 A HN 0.379 nan 8.150 nan 0.000 0.460 457 F N -2.555 117.287 119.950 -0.179 0.000 2.776 457 F HA 0.217 4.744 4.527 -0.000 0.000 0.300 457 F C 0.618 176.432 175.800 0.023 0.000 1.116 457 F CA -0.304 57.562 58.000 -0.223 0.000 1.375 457 F CB -0.111 38.729 39.000 -0.267 0.000 1.109 457 F HN 0.270 nan 8.300 nan 0.000 0.585 458 Y N 1.647 121.969 120.300 0.036 0.000 2.336 458 Y HA 0.320 4.869 4.550 -0.001 0.000 0.335 458 Y C 0.611 176.505 175.900 -0.011 0.000 1.046 458 Y CA -1.530 56.598 58.100 0.046 0.000 1.198 458 Y CB 0.276 38.775 38.460 0.065 0.000 1.182 458 Y HN 0.011 nan 8.280 nan 0.000 0.502 459 M N 6.182 125.511 119.600 -0.453 0.000 2.516 459 M HA -0.164 4.315 4.480 -0.001 0.000 0.183 459 M C -1.225 174.999 176.300 -0.128 0.000 0.928 459 M CA 0.937 56.030 55.300 -0.345 0.000 0.573 459 M CB -2.561 29.769 32.600 -0.450 0.000 1.126 459 M HN 0.435 nan 8.290 nan 0.000 0.859 460 V N -2.706 117.194 119.914 -0.024 0.000 3.167 460 V HA 1.076 5.195 4.120 -0.001 0.000 0.310 460 V C 0.614 176.758 176.094 0.084 0.000 1.207 460 V CA -0.186 62.123 62.300 0.015 0.000 1.059 460 V CB 1.611 33.425 31.823 -0.016 0.000 1.079 460 V HN 0.454 nan 8.190 nan 0.000 0.446 461 G N 0.083 108.925 108.800 0.069 0.000 3.199 461 G HA2 0.557 4.517 3.960 -0.001 0.000 0.184 461 G HA3 0.557 4.517 3.960 -0.001 0.000 0.184 461 G C 0.589 175.562 174.900 0.121 0.000 1.974 461 G CA 0.036 45.180 45.100 0.073 0.000 0.885 461 G HN 1.379 nan 8.290 nan 0.000 0.575 462 G N -0.820 108.029 108.800 0.082 0.000 2.570 462 G HA2 0.313 4.272 3.960 -0.001 0.000 0.276 462 G HA3 0.313 4.272 3.960 -0.001 0.000 0.276 462 G C 0.840 175.822 174.900 0.137 0.000 1.346 462 G CA 0.079 45.240 45.100 0.103 0.000 1.034 462 G HN 0.406 nan 8.290 nan 0.000 0.512 463 I N -0.802 119.828 120.570 0.100 0.000 2.546 463 I HA -0.005 4.164 4.170 -0.001 0.000 0.255 463 I C 2.402 178.422 176.117 -0.162 0.000 1.163 463 I CA 1.305 62.576 61.300 -0.048 0.000 1.457 463 I CB -0.250 37.721 38.000 -0.048 0.000 1.092 463 I HN 0.672 nan 8.210 nan 0.000 0.434 464 E N 0.177 120.335 120.200 -0.070 0.000 2.204 464 E HA -0.210 4.139 4.350 -0.001 0.000 0.194 464 E C 1.419 177.959 176.600 -0.100 0.000 0.989 464 E CA 1.270 57.627 56.400 -0.072 0.000 0.824 464 E CB -0.086 29.596 29.700 -0.028 0.000 0.756 464 E HN 0.530 nan 8.360 nan 0.000 0.477 465 D N -0.253 120.091 120.400 -0.093 0.000 2.224 465 D HA -0.101 4.538 4.640 -0.001 0.000 0.205 465 D C 1.864 178.046 176.300 -0.197 0.000 0.965 465 D CA 0.540 54.478 54.000 -0.104 0.000 0.852 465 D CB 0.065 40.834 40.800 -0.052 0.000 0.947 465 D HN 0.023 nan 8.370 nan 0.000 0.494 466 V N 0.218 119.940 119.914 -0.319 0.000 2.270 466 V HA -0.178 3.942 4.120 -0.001 0.000 0.245 466 V C 2.544 178.377 176.094 -0.434 0.000 1.043 466 V CA 0.954 62.923 62.300 -0.551 0.000 1.014 466 V CB -0.644 30.596 31.823 -0.971 0.000 0.645 466 V HN 0.071 nan 8.190 nan 0.000 0.447 467 V N 0.584 120.296 119.914 -0.337 0.000 2.332 467 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 467 V C 2.783 178.795 176.094 -0.137 0.000 1.055 467 V CA 2.110 64.295 62.300 -0.191 0.000 1.038 467 V CB -1.212 30.555 31.823 -0.093 0.000 0.651 467 V HN 0.550 nan 8.190 nan 0.000 0.450 468 A N -0.399 122.344 122.820 -0.128 0.000 1.883 468 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 468 A C 2.361 179.887 177.584 -0.098 0.000 1.186 468 A CA 2.299 54.281 52.037 -0.092 0.000 0.624 468 A CB -0.508 18.447 19.000 -0.076 0.000 0.822 468 A HN 0.505 nan 8.150 nan 0.000 0.444 469 K N -0.565 119.754 120.400 -0.134 0.000 2.097 469 K HA -0.025 4.295 4.320 -0.001 0.000 0.205 469 K C 2.114 178.644 176.600 -0.117 0.000 1.050 469 K CA 1.000 57.211 56.287 -0.127 0.000 0.938 469 K CB -0.273 32.128 32.500 -0.166 0.000 0.718 469 K HN 0.392 nan 8.250 nan 0.000 0.442 470 A N 1.201 123.932 122.820 -0.148 0.000 1.972 470 A HA -0.170 4.150 4.320 -0.001 0.000 0.219 470 A C 1.681 179.228 177.584 -0.062 0.000 1.169 470 A CA 1.468 53.437 52.037 -0.114 0.000 0.635 470 A CB -0.300 18.614 19.000 -0.144 0.000 0.810 470 A HN 0.416 nan 8.150 nan 0.000 0.446 471 E N -0.474 119.691 120.200 -0.059 0.000 2.158 471 E HA -0.099 4.250 4.350 -0.001 0.000 0.191 471 E C 1.921 178.504 176.600 -0.027 0.000 0.982 471 E CA 0.818 57.196 56.400 -0.036 0.000 0.823 471 E CB -0.062 29.618 29.700 -0.034 0.000 0.766 471 E HN 0.554 nan 8.360 nan 0.000 0.468 472 K N 0.589 120.969 120.400 -0.033 0.000 2.062 472 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 472 K C 2.018 178.612 176.600 -0.010 0.000 1.051 472 K CA 0.682 56.956 56.287 -0.021 0.000 0.941 472 K CB 0.074 32.559 32.500 -0.025 0.000 0.719 472 K HN 0.096 nan 8.250 nan 0.000 0.440 473 L N -0.047 121.170 121.223 -0.011 0.000 2.478 473 L HA -0.040 4.300 4.340 -0.001 0.000 0.223 473 L C 2.143 179.019 176.870 0.010 0.000 1.140 473 L CA 0.341 55.187 54.840 0.010 0.000 0.842 473 L CB -0.134 41.938 42.059 0.022 0.000 0.953 473 L HN 0.170 nan 8.230 nan 0.000 0.452 474 A N -0.427 122.392 122.820 -0.000 0.000 1.973 474 A HA 0.533 4.852 4.320 -0.001 0.000 0.210 474 A C 1.133 178.717 177.584 0.001 0.000 1.200 474 A CA 0.799 52.837 52.037 0.001 0.000 0.707 474 A CB 0.061 19.059 19.000 -0.002 0.000 0.862 474 A HN 0.281 nan 8.150 nan 0.000 0.461 475 A N 0.000 122.818 122.820 -0.003 0.000 2.254 475 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486