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 3kd2_1_A DATA FIRST_RESID 25 DATA SEQUENCE AEEFPVPNGF ESAYREVDGV KLHYVKGGQG PLVMLVHGFG QTWYEWHQLM DATA SEQUENCE PELAKRFTVI APDLPGLGQS EPPKTGYSGE QVAVYLHKLA RQFSPDRPFD DATA SEQUENCE LVAHDIGIWN TYPMVVKNQA DIARLVYMEA PIPDARIYRF PAFTAQGESL DATA SEQUENCE VWHFSFFAAD DRLAETLIAG KERFFLEHFI KSHASNTEVF SERLLDLYAR DATA SEQUENCE SYAKPHSLNA SFEYYRALNE SVRQNAELAK TRLQMPTMTL AGGGHGGMGT DATA SEQUENCE FQLEQMKAYA EDVEGHVLPG cGHWLPEEcA APMNRLVIDF LSR 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 25 A HA 0.000 nan 4.320 nan 0.000 0.244 25 A C 0.000 177.587 177.584 0.005 0.000 1.274 25 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 25 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 26 E N 1.534 121.729 120.200 -0.008 0.000 2.187 26 E HA 0.329 4.679 4.350 0.001 0.000 0.268 26 E C 0.274 176.832 176.600 -0.071 0.000 0.896 26 E CA -0.531 55.875 56.400 0.011 0.000 0.766 26 E CB 1.868 31.615 29.700 0.078 0.000 1.142 26 E HN 0.752 nan 8.360 nan 0.000 0.408 27 E N 1.520 121.664 120.200 -0.093 0.000 2.208 27 E HA -0.017 4.333 4.350 0.001 0.000 0.193 27 E C -0.211 175.861 176.600 -0.882 0.000 0.988 27 E CA 0.944 57.076 56.400 -0.447 0.000 0.828 27 E CB 0.196 29.636 29.700 -0.434 0.000 0.763 27 E HN 0.285 nan 8.360 nan 0.000 0.478 28 F N -0.443 119.427 119.950 -0.134 0.000 2.588 28 F HA 0.348 4.875 4.527 0.000 0.000 0.314 28 F C -2.423 173.332 175.800 -0.076 0.000 1.069 28 F CA -3.204 54.550 58.000 -0.411 0.000 0.931 28 F CB 1.176 39.627 39.000 -0.915 0.000 1.260 28 F HN -0.311 nan 8.300 nan 0.000 0.465 29 P HA 0.133 nan 4.420 nan 0.000 0.271 29 P C -0.626 176.907 177.300 0.387 0.000 1.233 29 P CA -0.107 63.077 63.100 0.140 0.000 0.764 29 P CB 0.579 32.311 31.700 0.054 0.000 0.825 30 V N 7.044 127.154 119.914 0.327 0.000 2.555 30 V HA 0.144 4.264 4.120 0.001 0.000 0.286 30 V C -1.669 174.568 176.094 0.239 0.000 1.044 30 V CA -1.234 61.246 62.300 0.300 0.000 1.026 30 V CB 0.085 31.987 31.823 0.132 0.000 0.981 30 V HN 0.565 nan 8.190 nan 0.000 0.480 31 P HA 0.037 nan 4.420 nan 0.000 0.269 31 P C 0.033 177.480 177.300 0.245 0.000 1.209 31 P CA -0.278 62.905 63.100 0.138 0.000 0.776 31 P CB 0.279 31.892 31.700 -0.145 0.000 0.876 32 N N 1.790 120.623 118.700 0.222 0.000 2.357 32 N HA -0.018 4.722 4.740 0.001 0.000 0.257 32 N C 1.203 176.885 175.510 0.286 0.000 1.250 32 N CA 1.733 54.908 53.050 0.209 0.000 0.862 32 N CB -0.056 38.519 38.487 0.147 0.000 1.066 32 N HN 0.743 nan 8.380 nan 0.000 0.468 33 G N 2.618 111.537 108.800 0.198 0.000 2.176 33 G HA2 -0.264 3.697 3.960 0.001 0.000 0.253 33 G HA3 -0.264 3.697 3.960 0.001 0.000 0.253 33 G C -0.138 174.774 174.900 0.020 0.000 0.979 33 G CA -0.028 45.132 45.100 0.100 0.000 0.641 33 G HN 0.548 nan 8.290 nan 0.000 0.530 34 F N 1.066 121.027 119.950 0.018 0.000 2.483 34 F HA 0.612 5.139 4.527 0.001 0.000 0.329 34 F C 0.651 176.425 175.800 -0.044 0.000 1.064 34 F CA -0.487 57.504 58.000 -0.016 0.000 0.986 34 F CB 1.334 40.322 39.000 -0.020 0.000 1.218 34 F HN 0.276 nan 8.300 nan 0.000 0.484 35 E N 0.110 120.356 120.200 0.076 0.000 2.212 35 E HA 0.475 4.826 4.350 0.001 0.000 0.268 35 E C -1.322 175.200 176.600 -0.129 0.000 0.902 35 E CA -0.985 55.407 56.400 -0.012 0.000 0.779 35 E CB 1.982 31.668 29.700 -0.024 0.000 1.172 35 E HN 0.382 nan 8.360 nan 0.000 0.409 36 S N 2.032 117.637 115.700 -0.159 0.000 2.438 36 S HA 0.701 5.171 4.470 0.001 0.000 0.293 36 S C -0.767 173.626 174.600 -0.345 0.000 1.141 36 S CA 0.049 58.072 58.200 -0.295 0.000 1.080 36 S CB 0.526 63.678 63.200 -0.080 0.000 0.978 36 S HN 0.728 nan 8.310 nan 0.000 0.479 37 A N 4.038 126.402 122.820 -0.760 0.000 2.567 37 A HA 0.858 5.178 4.320 0.001 0.000 0.289 37 A C -2.111 174.906 177.584 -0.946 0.000 1.177 37 A CA -0.696 50.948 52.037 -0.655 0.000 0.694 37 A CB 0.894 19.591 19.000 -0.505 0.000 1.292 37 A HN 0.793 nan 8.150 nan 0.000 0.425 38 Y N -0.838 119.346 120.300 -0.194 0.000 2.512 38 Y HA 0.784 5.334 4.550 0.000 0.000 0.348 38 Y C 0.086 176.137 175.900 0.252 0.000 0.990 38 Y CA -0.598 57.533 58.100 0.053 0.000 1.033 38 Y CB 2.240 40.749 38.460 0.082 0.000 1.259 38 Y HN 0.738 nan 8.280 nan 0.000 0.461 39 R N 1.455 122.243 120.500 0.481 0.000 2.538 39 R HA 0.388 4.728 4.340 0.001 0.000 0.292 39 R C -1.597 174.843 176.300 0.234 0.000 1.008 39 R CA -0.814 55.489 56.100 0.339 0.000 0.896 39 R CB 1.264 31.760 30.300 0.327 0.000 1.187 39 R HN 0.643 nan 8.270 nan 0.000 0.440 40 E N 2.676 122.971 120.200 0.159 0.000 2.299 40 E HA 0.262 4.612 4.350 0.001 0.000 0.272 40 E C -1.189 175.478 176.600 0.112 0.000 1.043 40 E CA -0.003 56.469 56.400 0.121 0.000 0.895 40 E CB 0.782 30.531 29.700 0.082 0.000 1.011 40 E HN 0.342 nan 8.360 nan 0.000 0.432 41 V N 5.388 125.391 119.914 0.148 0.000 2.443 41 V HA 0.161 4.281 4.120 0.001 0.000 0.293 41 V C -0.610 175.632 176.094 0.246 0.000 1.021 41 V CA -0.846 61.560 62.300 0.176 0.000 0.848 41 V CB 1.654 33.615 31.823 0.229 0.000 0.998 41 V HN 0.819 nan 8.190 nan 0.000 0.424 42 D N 4.404 124.893 120.400 0.149 0.000 2.686 42 D HA -0.192 4.448 4.640 0.001 0.000 0.235 42 D C 1.362 177.771 176.300 0.182 0.000 1.160 42 D CA 1.891 55.972 54.000 0.135 0.000 0.645 42 D CB -1.024 39.820 40.800 0.073 0.000 1.039 42 D HN 1.432 nan 8.370 nan 0.000 0.423 43 G N -2.357 106.518 108.800 0.125 0.000 2.162 43 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 43 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 43 G C 0.323 175.272 174.900 0.082 0.000 0.976 43 G CA 0.305 45.459 45.100 0.091 0.000 0.655 43 G HN 0.654 nan 8.290 nan 0.000 0.533 44 V N 0.834 120.811 119.914 0.106 0.000 2.417 44 V HA 0.472 4.592 4.120 0.001 0.000 0.291 44 V C 0.546 176.671 176.094 0.052 0.000 1.024 44 V CA -0.914 61.393 62.300 0.012 0.000 0.861 44 V CB 1.824 33.529 31.823 -0.198 0.000 0.985 44 V HN 0.311 nan 8.190 nan 0.000 0.436 45 K N 5.551 125.986 120.400 0.058 0.000 2.310 45 K HA 0.461 4.781 4.320 0.001 0.000 0.290 45 K C -0.948 175.782 176.600 0.215 0.000 1.077 45 K CA -0.326 56.045 56.287 0.139 0.000 0.922 45 K CB 0.287 32.847 32.500 0.101 0.000 1.057 45 K HN 0.590 nan 8.250 nan 0.000 0.479 46 L N 4.683 126.065 121.223 0.264 0.000 2.289 46 L HA 0.276 4.617 4.340 0.001 0.000 0.285 46 L C 0.530 177.616 176.870 0.360 0.000 1.049 46 L CA -0.854 54.158 54.840 0.288 0.000 0.804 46 L CB 1.101 43.304 42.059 0.240 0.000 1.195 46 L HN 0.626 nan 8.230 nan 0.000 0.428 47 H N 3.844 123.017 119.070 0.172 0.000 2.511 47 H HA 0.396 4.952 4.556 0.000 0.000 0.346 47 H C -1.488 173.822 175.328 -0.031 0.000 1.128 47 H CA -0.346 55.580 56.048 -0.203 0.000 1.342 47 H CB 1.370 31.003 29.762 -0.216 0.000 1.470 47 H HN 0.592 nan 8.280 nan 0.000 0.546 48 Y N 0.851 120.560 120.300 -0.986 0.000 2.638 48 Y HA 0.506 5.056 4.550 0.000 0.000 0.335 48 Y C -2.120 173.226 175.900 -0.923 0.000 1.155 48 Y CA -1.120 56.520 58.100 -0.765 0.000 1.046 48 Y CB 0.668 38.914 38.460 -0.357 0.000 1.303 48 Y HN 0.227 nan 8.280 nan 0.000 0.460 49 V N 2.297 121.884 119.914 -0.544 0.000 2.540 49 V HA 0.562 4.682 4.120 0.001 0.000 0.302 49 V C -0.688 175.385 176.094 -0.035 0.000 1.035 49 V CA -0.864 61.139 62.300 -0.496 0.000 0.873 49 V CB 1.514 32.752 31.823 -0.974 0.000 0.992 49 V HN 0.789 nan 8.190 nan 0.000 0.428 50 K N 2.563 123.008 120.400 0.076 0.000 2.422 50 K HA 0.844 5.165 4.320 0.001 0.000 0.251 50 K C -0.418 176.147 176.600 -0.058 0.000 0.933 50 K CA -0.312 56.010 56.287 0.059 0.000 0.798 50 K CB 2.411 34.908 32.500 -0.005 0.000 1.238 50 K HN 0.954 nan 8.250 nan 0.000 0.428 51 G N 0.680 109.286 108.800 -0.323 0.000 2.576 51 G HA2 0.615 4.575 3.960 0.001 0.000 0.290 51 G HA3 0.615 4.575 3.960 0.001 0.000 0.290 51 G C -0.440 174.132 174.900 -0.546 0.000 1.442 51 G CA -0.163 44.392 45.100 -0.908 0.000 0.792 51 G HN 0.995 nan 8.290 nan 0.000 0.491 52 G N -1.049 107.473 108.800 -0.465 0.000 2.698 52 G HA2 0.249 4.209 3.960 0.001 0.000 0.225 52 G HA3 0.249 4.209 3.960 0.001 0.000 0.225 52 G C -0.563 174.263 174.900 -0.123 0.000 1.345 52 G CA 0.158 45.127 45.100 -0.217 0.000 0.871 52 G HN 0.925 nan 8.290 nan 0.000 0.540 53 Q N -0.848 118.910 119.800 -0.069 0.000 2.416 53 Q HA 0.622 4.963 4.340 0.001 0.000 0.281 53 Q C 0.272 176.248 176.000 -0.041 0.000 1.067 53 Q CA -0.074 55.699 55.803 -0.051 0.000 0.809 53 Q CB 2.256 30.960 28.738 -0.057 0.000 1.418 53 Q HN 2.627 nan 8.270 nan 0.000 0.411 54 G N 1.237 110.022 108.800 -0.024 0.000 2.447 54 G HA2 -0.113 3.847 3.960 0.001 0.000 0.220 54 G HA3 -0.113 3.847 3.960 0.001 0.000 0.220 54 G C -2.932 172.000 174.900 0.053 0.000 1.261 54 G CA -1.256 43.828 45.100 -0.027 0.000 1.000 54 G HN 0.424 nan 8.290 nan 0.000 0.515 55 P HA 0.403 nan 4.420 nan 0.000 0.267 55 P C 0.008 177.463 177.300 0.259 0.000 1.201 55 P CA -0.323 62.893 63.100 0.194 0.000 0.775 55 P CB 0.502 32.359 31.700 0.262 0.000 0.854 56 L N 3.853 125.188 121.223 0.187 0.000 2.331 56 L HA 0.421 4.761 4.340 0.001 0.000 0.278 56 L C -0.675 176.257 176.870 0.103 0.000 1.106 56 L CA -0.213 54.697 54.840 0.116 0.000 0.824 56 L CB 0.942 43.035 42.059 0.057 0.000 1.142 56 L HN 0.109 nan 8.230 nan 0.000 0.443 57 V N 7.435 127.344 119.914 -0.009 0.000 2.487 57 V HA 0.503 4.623 4.120 0.001 0.000 0.298 57 V C -0.465 175.563 176.094 -0.110 0.000 1.028 57 V CA -0.659 61.585 62.300 -0.093 0.000 0.860 57 V CB 1.701 33.339 31.823 -0.309 0.000 0.991 57 V HN 0.936 nan 8.190 nan 0.000 0.427 58 M N 7.587 127.146 119.600 -0.069 0.000 2.180 58 M HA 0.585 5.065 4.480 0.001 0.000 0.350 58 M C -1.724 174.473 176.300 -0.172 0.000 1.125 58 M CA -0.523 54.702 55.300 -0.126 0.000 1.031 58 M CB 1.163 33.693 32.600 -0.118 0.000 1.623 58 M HN 0.612 nan 8.290 nan 0.000 0.451 59 L N 6.084 127.134 121.223 -0.289 0.000 2.287 59 L HA 0.599 4.939 4.340 0.001 0.000 0.287 59 L C -1.042 175.684 176.870 -0.239 0.000 1.022 59 L CA -0.998 53.468 54.840 -0.623 0.000 0.814 59 L CB 1.457 42.753 42.059 -1.271 0.000 1.217 59 L HN 0.427 nan 8.230 nan 0.000 0.420 60 V N 2.051 121.976 119.914 0.018 0.000 2.378 60 V HA 0.254 4.374 4.120 0.001 0.000 0.288 60 V C -0.022 176.402 176.094 0.549 0.000 1.016 60 V CA -0.815 61.655 62.300 0.283 0.000 0.840 60 V CB 1.078 32.985 31.823 0.140 0.000 0.994 60 V HN 0.848 nan 8.190 nan 0.000 0.431 61 H N 2.904 122.315 119.070 0.570 0.000 2.548 61 H HA 0.822 5.378 4.556 0.001 0.000 0.366 61 H C 0.457 175.810 175.328 0.043 0.000 1.433 61 H CA 0.244 56.473 56.048 0.303 0.000 1.443 61 H CB 0.908 30.739 29.762 0.115 0.000 1.594 61 H HN 0.695 nan 8.280 nan 0.000 0.608 62 G N -1.040 107.752 108.800 -0.013 0.000 3.251 62 G HA2 0.330 4.290 3.960 0.001 0.000 0.248 62 G HA3 0.330 4.290 3.960 0.001 0.000 0.248 62 G C -1.349 173.558 174.900 0.012 0.000 1.320 62 G CA -1.027 43.965 45.100 -0.180 0.000 0.982 62 G HN 0.660 nan 8.290 nan 0.000 0.575 63 F N 0.711 120.574 119.950 -0.144 0.000 2.518 63 F HA 0.419 4.947 4.527 0.001 0.000 0.359 63 F C 1.366 177.151 175.800 -0.025 0.000 1.118 63 F CA 1.464 59.437 58.000 -0.045 0.000 1.287 63 F CB 0.967 40.002 39.000 0.057 0.000 1.132 63 F HN 1.188 nan 8.300 nan 0.000 0.587 64 G N 3.398 111.403 108.800 -1.324 0.000 2.199 64 G HA2 -0.236 3.724 3.960 0.001 0.000 0.254 64 G HA3 -0.236 3.724 3.960 0.001 0.000 0.254 64 G C 0.006 174.390 174.900 -0.861 0.000 0.982 64 G CA 0.431 44.744 45.100 -1.311 0.000 0.632 64 G HN 0.770 nan 8.290 nan 0.000 0.529 65 Q N -1.133 118.323 119.800 -0.573 0.000 2.991 65 Q HA 0.756 5.096 4.340 0.001 0.000 0.322 65 Q C 0.129 175.821 176.000 -0.512 0.000 0.978 65 Q CA -0.337 55.091 55.803 -0.626 0.000 0.787 65 Q CB 1.865 30.199 28.738 -0.673 0.000 1.492 65 Q HN 0.613 nan 8.270 nan 0.000 0.498 66 T N -3.890 110.264 114.554 -0.666 0.000 2.618 66 T HA 0.233 4.583 4.350 0.001 0.000 0.286 66 T C 0.542 174.824 174.700 -0.696 0.000 1.027 66 T CA -0.737 60.746 62.100 -1.029 0.000 1.063 66 T CB 0.006 68.519 68.868 -0.591 0.000 1.440 66 T HN 0.935 nan 8.240 nan 0.000 0.505 67 W N 0.010 121.159 121.300 -0.252 0.000 2.321 67 W HA -0.244 4.416 4.660 0.001 0.000 0.285 67 W C 1.348 177.915 176.519 0.080 0.000 1.213 67 W CA 1.245 58.672 57.345 0.136 0.000 1.205 67 W CB -1.217 28.344 29.460 0.167 0.000 1.134 67 W HN 0.710 nan 8.180 nan 0.000 0.549 68 Y N 3.735 123.120 120.300 -1.525 0.000 2.403 68 Y HA -0.249 4.302 4.550 0.000 0.000 0.291 68 Y C 2.673 178.243 175.900 -0.550 0.000 1.143 68 Y CA 2.562 59.674 58.100 -1.646 0.000 1.257 68 Y CB -0.676 36.543 38.460 -2.068 0.000 0.984 68 Y HN 0.321 nan 8.280 nan 0.000 0.550 69 E N -1.745 118.183 120.200 -0.454 0.000 2.267 69 E HA -0.252 4.098 4.350 0.001 0.000 0.197 69 E C 1.200 177.501 176.600 -0.499 0.000 0.998 69 E CA 1.631 57.765 56.400 -0.444 0.000 0.830 69 E CB -0.927 28.443 29.700 -0.550 0.000 0.751 69 E HN 0.639 nan 8.360 nan 0.000 0.491 70 W N 1.558 122.802 121.300 -0.092 0.000 3.290 70 W HA 0.121 4.781 4.660 0.000 0.000 0.287 70 W C 2.022 178.462 176.519 -0.130 0.000 1.288 70 W CA -0.046 57.264 57.345 -0.059 0.000 1.725 70 W CB -0.018 29.486 29.460 0.074 0.000 1.103 70 W HN 0.273 nan 8.180 nan 0.000 0.670 71 H N 0.013 118.984 119.070 -0.166 0.000 2.489 71 H HA -0.085 4.471 4.556 0.000 0.000 0.293 71 H C 1.237 176.478 175.328 -0.145 0.000 1.066 71 H CA 1.406 57.346 56.048 -0.179 0.000 1.305 71 H CB -0.330 29.134 29.762 -0.497 0.000 1.386 71 H HN 0.312 nan 8.280 nan 0.000 0.551 72 Q N 0.056 119.435 119.800 -0.701 0.000 2.212 72 Q HA 0.013 4.353 4.340 0.001 0.000 0.199 72 Q C 2.405 178.314 176.000 -0.152 0.000 0.950 72 Q CA 0.745 56.282 55.803 -0.443 0.000 0.863 72 Q CB 0.213 28.665 28.738 -0.476 0.000 0.944 72 Q HN 0.322 nan 8.270 nan 0.000 0.465 73 L N 0.104 121.291 121.223 -0.060 0.000 2.179 73 L HA -0.028 4.312 4.340 0.001 0.000 0.208 73 L C 1.988 178.902 176.870 0.073 0.000 1.096 73 L CA 1.423 56.289 54.840 0.044 0.000 0.779 73 L CB -0.188 41.954 42.059 0.140 0.000 0.922 73 L HN 0.157 nan 8.230 nan 0.000 0.443 74 M N -0.104 119.536 119.600 0.067 0.000 2.080 74 M HA -0.156 4.325 4.480 0.001 0.000 0.260 74 M C -0.310 176.145 176.300 0.257 0.000 1.068 74 M CA 2.312 57.676 55.300 0.107 0.000 1.109 74 M CB -1.473 31.070 32.600 -0.096 0.000 1.342 74 M HN 0.167 nan 8.290 nan 0.000 0.405 75 P HA -0.146 nan 4.420 nan 0.000 0.217 75 P C 1.170 178.599 177.300 0.216 0.000 1.150 75 P CA 1.149 64.427 63.100 0.296 0.000 0.832 75 P CB -0.081 31.723 31.700 0.173 0.000 0.787 76 E N -0.489 119.798 120.200 0.145 0.000 2.072 76 E HA -0.079 4.271 4.350 0.001 0.000 0.191 76 E C 2.109 178.803 176.600 0.157 0.000 0.985 76 E CA 0.874 57.346 56.400 0.121 0.000 0.801 76 E CB -0.972 28.778 29.700 0.084 0.000 0.750 76 E HN 0.263 nan 8.360 nan 0.000 0.452 77 L N 0.281 121.618 121.223 0.190 0.000 2.083 77 L HA -0.126 4.214 4.340 0.001 0.000 0.209 77 L C 2.299 179.348 176.870 0.299 0.000 1.083 77 L CA 1.038 56.039 54.840 0.269 0.000 0.752 77 L CB -0.445 41.727 42.059 0.188 0.000 0.899 77 L HN 0.055 nan 8.230 nan 0.000 0.433 78 A N -0.263 122.708 122.820 0.251 0.000 2.178 78 A HA -0.186 4.134 4.320 0.001 0.000 0.218 78 A C 2.144 179.769 177.584 0.068 0.000 1.157 78 A CA 1.231 53.363 52.037 0.157 0.000 0.689 78 A CB -0.328 18.756 19.000 0.140 0.000 0.787 78 A HN 0.351 nan 8.150 nan 0.000 0.465 79 K N -1.037 119.410 120.400 0.079 0.000 2.366 79 K HA 0.011 4.332 4.320 0.001 0.000 0.198 79 K C 1.611 178.175 176.600 -0.060 0.000 1.044 79 K CA 0.930 57.225 56.287 0.014 0.000 0.973 79 K CB 0.052 32.569 32.500 0.029 0.000 0.767 79 K HN 0.437 nan 8.250 nan 0.000 0.475 80 R N -1.378 119.064 120.500 -0.096 0.000 2.507 80 R HA 0.208 4.549 4.340 0.001 0.000 0.230 80 R C -0.317 175.572 176.300 -0.685 0.000 0.897 80 R CA -0.030 55.818 56.100 -0.419 0.000 1.006 80 R CB 0.756 30.717 30.300 -0.565 0.000 1.341 80 R HN -0.069 nan 8.270 nan 0.000 0.604 81 F N -0.432 119.514 119.950 -0.006 0.000 2.620 81 F HA 0.348 4.875 4.527 0.000 0.000 0.320 81 F C 0.132 175.912 175.800 -0.033 0.000 1.069 81 F CA -1.075 56.918 58.000 -0.012 0.000 0.953 81 F CB 1.683 40.682 39.000 -0.001 0.000 1.322 81 F HN -0.364 nan 8.300 nan 0.000 0.479 82 T N 2.451 117.101 114.554 0.161 0.000 2.737 82 T HA 0.449 4.799 4.350 0.001 0.000 0.296 82 T C -0.372 174.347 174.700 0.032 0.000 0.922 82 T CA -0.281 61.842 62.100 0.038 0.000 1.079 82 T CB 0.306 69.174 68.868 -0.001 0.000 0.892 82 T HN 0.268 nan 8.240 nan 0.000 0.514 83 V N 5.741 125.661 119.914 0.009 0.000 2.435 83 V HA 0.547 4.667 4.120 0.001 0.000 0.290 83 V C 0.002 176.075 176.094 -0.034 0.000 1.030 83 V CA -0.868 61.450 62.300 0.030 0.000 0.881 83 V CB 1.626 33.560 31.823 0.185 0.000 0.983 83 V HN 0.794 nan 8.190 nan 0.000 0.445 84 I N 3.773 124.265 120.570 -0.130 0.000 2.498 84 I HA 0.816 4.986 4.170 0.001 0.000 0.290 84 I C -0.295 175.757 176.117 -0.108 0.000 1.032 84 I CA -0.680 60.502 61.300 -0.196 0.000 1.073 84 I CB 1.774 39.474 38.000 -0.500 0.000 1.251 84 I HN 0.703 nan 8.210 nan 0.000 0.426 85 A N 9.354 132.168 122.820 -0.010 0.000 2.409 85 A HA 0.699 5.019 4.320 0.001 0.000 0.300 85 A C -2.857 174.829 177.584 0.169 0.000 1.273 85 A CA -1.398 50.712 52.037 0.122 0.000 0.774 85 A CB 0.649 19.843 19.000 0.324 0.000 1.144 85 A HN 0.432 nan 8.150 nan 0.000 0.472 86 P HA 0.324 nan 4.420 nan 0.000 0.279 86 P C -1.099 176.440 177.300 0.399 0.000 1.252 86 P CA -0.239 62.991 63.100 0.217 0.000 0.811 86 P CB 1.304 33.101 31.700 0.162 0.000 1.035 87 D N 1.411 122.055 120.400 0.406 0.000 2.264 87 D HA 0.258 4.898 4.640 0.001 0.000 0.250 87 D C 0.562 177.136 176.300 0.457 0.000 1.113 87 D CA -0.195 54.140 54.000 0.559 0.000 0.871 87 D CB 0.622 41.739 40.800 0.529 0.000 1.167 87 D HN 0.258 nan 8.370 nan 0.000 0.447 88 L N 3.490 125.008 121.223 0.492 0.000 2.506 88 L HA 0.077 4.418 4.340 0.001 0.000 0.281 88 L C -1.896 175.165 176.870 0.318 0.000 1.228 88 L CA -1.302 53.682 54.840 0.242 0.000 0.850 88 L CB -0.074 41.982 42.059 -0.005 0.000 1.110 88 L HN 0.106 nan 8.230 nan 0.000 0.496 89 P HA -0.046 nan 4.420 nan 0.000 0.260 89 P C 0.738 178.218 177.300 0.301 0.000 1.172 89 P CA 1.227 64.420 63.100 0.155 0.000 0.760 89 P CB 0.591 32.252 31.700 -0.064 0.000 0.773 90 G N 2.188 111.149 108.800 0.268 0.000 2.268 90 G HA2 -0.231 3.729 3.960 0.001 0.000 0.240 90 G HA3 -0.231 3.729 3.960 0.001 0.000 0.240 90 G C -0.029 175.107 174.900 0.393 0.000 1.010 90 G CA -0.200 45.123 45.100 0.371 0.000 0.618 90 G HN 0.462 nan 8.290 nan 0.000 0.516 91 L N 0.206 121.656 121.223 0.378 0.000 2.358 91 L HA 0.638 4.978 4.340 0.001 0.000 0.268 91 L C 1.824 178.890 176.870 0.326 0.000 1.032 91 L CA -0.261 54.776 54.840 0.330 0.000 0.805 91 L CB 0.972 43.261 42.059 0.384 0.000 1.253 91 L HN 0.983 nan 8.230 nan 0.000 0.452 92 G N 1.181 110.140 108.800 0.266 0.000 2.651 92 G HA2 -0.371 3.589 3.960 0.001 0.000 0.315 92 G HA3 -0.371 3.589 3.960 0.001 0.000 0.315 92 G C 0.366 175.440 174.900 0.290 0.000 1.258 92 G CA 0.596 45.881 45.100 0.308 0.000 1.002 92 G HN 0.715 nan 8.290 nan 0.000 0.551 93 Q N 0.370 120.347 119.800 0.296 0.000 2.189 93 Q HA 0.462 4.802 4.340 0.001 0.000 0.221 93 Q C 0.250 176.466 176.000 0.360 0.000 0.848 93 Q CA 0.078 56.019 55.803 0.230 0.000 1.007 93 Q CB 0.762 29.455 28.738 -0.076 0.000 1.116 93 Q HN 0.315 nan 8.270 nan 0.000 0.481 94 S N 1.048 116.962 115.700 0.357 0.000 2.541 94 S HA 0.199 4.669 4.470 0.001 0.000 0.283 94 S C -0.151 174.573 174.600 0.207 0.000 1.196 94 S CA -0.603 57.781 58.200 0.307 0.000 1.062 94 S CB 1.164 64.539 63.200 0.291 0.000 1.009 94 S HN 0.223 nan 8.310 nan 0.000 0.502 95 E N 2.521 122.786 120.200 0.110 0.000 2.404 95 E HA 0.131 4.481 4.350 0.001 0.000 0.261 95 E C -2.251 174.332 176.600 -0.028 0.000 1.074 95 E CA -1.552 54.841 56.400 -0.013 0.000 0.917 95 E CB 0.117 29.791 29.700 -0.044 0.000 0.965 95 E HN 0.276 nan 8.360 nan 0.000 0.433 96 P HA 0.012 nan 4.420 nan 0.000 0.269 96 P C -2.451 174.723 177.300 -0.210 0.000 1.217 96 P CA -0.869 62.206 63.100 -0.041 0.000 0.783 96 P CB -0.141 31.579 31.700 0.034 0.000 0.898 97 P HA 0.134 nan 4.420 nan 0.000 0.274 97 P C 0.061 177.243 177.300 -0.197 0.000 1.231 97 P CA 0.082 62.914 63.100 -0.446 0.000 0.790 97 P CB 1.019 32.418 31.700 -0.502 0.000 0.951 98 K N 0.291 120.693 120.400 0.003 0.000 2.323 98 K HA -0.000 4.320 4.320 0.001 0.000 0.197 98 K C 1.802 178.442 176.600 0.068 0.000 1.043 98 K CA 1.206 57.523 56.287 0.050 0.000 0.997 98 K CB -0.073 32.482 32.500 0.091 0.000 0.807 98 K HN 0.605 nan 8.250 nan 0.000 0.497 99 T N -2.001 112.626 114.554 0.122 0.000 2.818 99 T HA 0.220 4.570 4.350 0.001 0.000 0.246 99 T C 1.056 175.774 174.700 0.030 0.000 1.036 99 T CA 0.564 62.707 62.100 0.070 0.000 1.160 99 T CB 0.131 69.035 68.868 0.061 0.000 0.869 99 T HN 0.189 nan 8.240 nan 0.000 0.419 100 G N -1.069 107.724 108.800 -0.011 0.000 2.342 100 G HA2 0.440 4.400 3.960 0.001 0.000 0.297 100 G HA3 0.440 4.400 3.960 0.001 0.000 0.297 100 G C -1.192 173.622 174.900 -0.144 0.000 1.313 100 G CA -0.706 44.375 45.100 -0.033 0.000 0.830 100 G HN 0.168 nan 8.290 nan 0.000 0.506 101 Y N 0.954 121.245 120.300 -0.015 0.000 2.467 101 Y HA 0.345 4.896 4.550 0.001 0.000 0.250 101 Y C 2.000 177.937 175.900 0.062 0.000 1.155 101 Y CA 0.170 58.210 58.100 -0.101 0.000 1.249 101 Y CB 0.615 38.866 38.460 -0.347 0.000 1.146 101 Y HN 0.565 nan 8.280 nan 0.000 0.524 102 S N -0.415 115.400 115.700 0.193 0.000 2.579 102 S HA 0.143 4.613 4.470 0.001 0.000 0.275 102 S C 1.754 176.477 174.600 0.205 0.000 1.345 102 S CA -0.055 58.248 58.200 0.173 0.000 1.031 102 S CB 1.365 64.633 63.200 0.112 0.000 0.892 102 S HN 0.459 nan 8.310 nan 0.000 0.529 103 G N 0.788 109.707 108.800 0.198 0.000 2.469 103 G HA2 -0.264 3.697 3.960 0.001 0.000 0.219 103 G HA3 -0.264 3.697 3.960 0.001 0.000 0.219 103 G C 1.197 176.204 174.900 0.177 0.000 1.150 103 G CA 1.060 46.292 45.100 0.222 0.000 0.763 103 G HN 0.899 nan 8.290 nan 0.000 0.561 104 E N -0.136 120.141 120.200 0.129 0.000 2.106 104 E HA -0.122 4.228 4.350 0.001 0.000 0.192 104 E C 2.574 179.216 176.600 0.069 0.000 0.984 104 E CA 0.938 57.389 56.400 0.085 0.000 0.806 104 E CB -0.058 29.678 29.700 0.060 0.000 0.750 104 E HN 0.603 nan 8.360 nan 0.000 0.458 105 Q N -0.328 119.522 119.800 0.084 0.000 2.046 105 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 105 Q C 2.305 178.372 176.000 0.111 0.000 0.975 105 Q CA 1.542 57.380 55.803 0.060 0.000 0.836 105 Q CB 0.141 28.924 28.738 0.074 0.000 0.896 105 Q HN 0.196 nan 8.270 nan 0.000 0.428 106 V N 1.018 121.067 119.914 0.224 0.000 2.427 106 V HA -0.245 3.876 4.120 0.001 0.000 0.248 106 V C 2.228 178.505 176.094 0.304 0.000 1.051 106 V CA 1.635 64.151 62.300 0.360 0.000 1.048 106 V CB -0.936 31.116 31.823 0.381 0.000 0.666 106 V HN 0.387 nan 8.190 nan 0.000 0.456 107 A N -0.117 122.826 122.820 0.206 0.000 1.978 107 A HA -0.167 4.153 4.320 0.001 0.000 0.220 107 A C 2.392 180.067 177.584 0.151 0.000 1.170 107 A CA 1.995 54.137 52.037 0.175 0.000 0.636 107 A CB -0.621 18.456 19.000 0.128 0.000 0.810 107 A HN 0.357 nan 8.150 nan 0.000 0.448 108 V N -1.354 118.593 119.914 0.056 0.000 2.343 108 V HA -0.306 3.814 4.120 0.001 0.000 0.247 108 V C 2.352 178.443 176.094 -0.004 0.000 1.051 108 V CA 2.100 64.387 62.300 -0.021 0.000 1.036 108 V CB -1.099 30.606 31.823 -0.196 0.000 0.654 108 V HN 0.675 nan 8.190 nan 0.000 0.451 109 Y N -0.021 120.340 120.300 0.102 0.000 2.145 109 Y HA -0.172 4.378 4.550 0.000 0.000 0.286 109 Y C 2.287 178.242 175.900 0.092 0.000 1.145 109 Y CA 1.482 59.634 58.100 0.087 0.000 1.148 109 Y CB -0.620 37.891 38.460 0.085 0.000 0.981 109 Y HN 0.141 nan 8.280 nan 0.000 0.507 110 L N -1.304 120.085 121.223 0.276 0.000 2.072 110 L HA -0.219 4.121 4.340 0.001 0.000 0.205 110 L C 2.572 179.539 176.870 0.161 0.000 1.079 110 L CA 1.570 56.528 54.840 0.195 0.000 0.752 110 L CB -0.798 41.380 42.059 0.199 0.000 0.906 110 L HN 0.409 nan 8.230 nan 0.000 0.436 111 H N 1.327 120.464 119.070 0.113 0.000 2.319 111 H HA -0.176 4.380 4.556 0.001 0.000 0.299 111 H C 2.117 177.479 175.328 0.058 0.000 1.092 111 H CA 1.792 57.914 56.048 0.123 0.000 1.302 111 H CB 0.281 30.115 29.762 0.120 0.000 1.373 111 H HN 0.259 nan 8.280 nan 0.000 0.497 112 K N 0.160 120.520 120.400 -0.067 0.000 2.057 112 K HA -0.136 4.185 4.320 0.001 0.000 0.207 112 K C 2.376 178.900 176.600 -0.126 0.000 1.049 112 K CA 1.056 57.256 56.287 -0.144 0.000 0.931 112 K CB -0.144 32.333 32.500 -0.038 0.000 0.714 112 K HN 0.151 nan 8.250 nan 0.000 0.440 113 L N 1.337 122.537 121.223 -0.038 0.000 1.989 113 L HA -0.187 4.153 4.340 0.001 0.000 0.211 113 L C 2.260 179.100 176.870 -0.050 0.000 1.071 113 L CA 2.060 56.889 54.840 -0.018 0.000 0.749 113 L CB -0.784 41.303 42.059 0.047 0.000 0.890 113 L HN 0.131 nan 8.230 nan 0.000 0.431 114 A N -0.572 122.134 122.820 -0.189 0.000 1.883 114 A HA -0.212 4.108 4.320 0.001 0.000 0.217 114 A C 2.292 179.671 177.584 -0.340 0.000 1.186 114 A CA 1.711 53.486 52.037 -0.437 0.000 0.624 114 A CB -0.594 17.740 19.000 -1.109 0.000 0.822 114 A HN 0.473 nan 8.150 nan 0.000 0.444 115 R N -0.395 119.922 120.500 -0.305 0.000 2.189 115 R HA -0.058 4.283 4.340 0.001 0.000 0.223 115 R C 2.034 178.225 176.300 -0.182 0.000 1.092 115 R CA 0.915 56.894 56.100 -0.201 0.000 0.989 115 R CB -0.498 29.644 30.300 -0.263 0.000 0.876 115 R HN 0.623 nan 8.270 nan 0.000 0.457 116 Q N -0.476 119.170 119.800 -0.256 0.000 2.124 116 Q HA -0.079 4.261 4.340 0.001 0.000 0.202 116 Q C 1.802 177.524 176.000 -0.464 0.000 0.977 116 Q CA 1.397 56.956 55.803 -0.408 0.000 0.850 116 Q CB -0.257 28.105 28.738 -0.626 0.000 0.901 116 Q HN 0.349 nan 8.270 nan 0.000 0.429 117 F N -0.723 119.120 119.950 -0.178 0.000 2.698 117 F HA 0.146 4.674 4.527 0.000 0.000 0.295 117 F C 1.158 176.893 175.800 -0.107 0.000 1.124 117 F CA 0.194 58.103 58.000 -0.153 0.000 1.426 117 F CB 0.535 39.408 39.000 -0.211 0.000 1.120 117 F HN -0.217 nan 8.300 nan 0.000 0.583 118 S N 0.772 116.496 115.700 0.040 0.000 2.359 118 S HA 0.259 4.730 4.470 0.001 0.000 0.148 118 S C -1.888 172.744 174.600 0.053 0.000 1.610 118 S CA -1.115 57.124 58.200 0.065 0.000 1.274 118 S CB 0.216 63.489 63.200 0.122 0.000 1.380 118 S HN -0.152 nan 8.310 nan 0.000 0.380 119 P HA 0.106 nan 4.420 nan 0.000 0.225 119 P C 0.111 177.427 177.300 0.026 0.000 1.156 119 P CA 0.954 64.052 63.100 -0.002 0.000 0.787 119 P CB 0.177 31.858 31.700 -0.032 0.000 0.802 120 D N -1.503 118.919 120.400 0.036 0.000 2.500 120 D HA 0.130 4.771 4.640 0.001 0.000 0.217 120 D C 0.547 176.874 176.300 0.046 0.000 1.159 120 D CA 0.117 54.137 54.000 0.034 0.000 0.828 120 D CB 1.000 41.812 40.800 0.020 0.000 1.039 120 D HN 0.091 nan 8.370 nan 0.000 0.512 121 R N 0.967 121.510 120.500 0.072 0.000 2.771 121 R HA 0.472 4.812 4.340 0.001 0.000 0.274 121 R C -2.799 173.571 176.300 0.116 0.000 0.987 121 R CA -1.826 54.319 56.100 0.076 0.000 0.908 121 R CB 1.179 31.523 30.300 0.073 0.000 1.213 121 R HN -0.160 nan 8.270 nan 0.000 0.468 122 P HA 0.207 nan 4.420 nan 0.000 0.272 122 P C -0.709 176.644 177.300 0.089 0.000 1.230 122 P CA -0.108 62.999 63.100 0.012 0.000 0.788 122 P CB 0.296 31.954 31.700 -0.069 0.000 0.949 123 F N -1.577 118.387 119.950 0.024 0.000 2.631 123 F HA 0.678 5.206 4.527 0.001 0.000 0.328 123 F C -0.415 175.377 175.800 -0.014 0.000 1.067 123 F CA -1.322 56.685 58.000 0.011 0.000 0.969 123 F CB 0.656 39.663 39.000 0.011 0.000 1.332 123 F HN 0.016 nan 8.300 nan 0.000 0.490 124 D N 1.250 121.737 120.400 0.145 0.000 2.253 124 D HA 0.503 5.144 4.640 0.001 0.000 0.249 124 D C -1.227 175.145 176.300 0.120 0.000 1.049 124 D CA -0.043 53.961 54.000 0.007 0.000 0.929 124 D CB 2.093 42.818 40.800 -0.124 0.000 1.176 124 D HN 0.588 nan 8.370 nan 0.000 0.437 125 L N 1.262 122.505 121.223 0.034 0.000 2.410 125 L HA 0.469 4.810 4.340 0.001 0.000 0.270 125 L C -1.551 175.324 176.870 0.008 0.000 0.983 125 L CA -0.627 54.259 54.840 0.078 0.000 0.822 125 L CB 1.990 44.127 42.059 0.130 0.000 1.285 125 L HN 0.125 nan 8.230 nan 0.000 0.409 126 V N 4.294 124.182 119.914 -0.045 0.000 2.487 126 V HA 0.964 5.084 4.120 0.001 0.000 0.298 126 V C -0.202 175.895 176.094 0.005 0.000 1.028 126 V CA -0.167 62.089 62.300 -0.074 0.000 0.860 126 V CB 1.286 32.924 31.823 -0.309 0.000 0.991 126 V HN 0.997 nan 8.190 nan 0.000 0.427 127 A N 3.182 126.155 122.820 0.254 0.000 2.475 127 A HA 0.814 5.134 4.320 0.001 0.000 0.301 127 A C -1.240 176.575 177.584 0.386 0.000 1.059 127 A CA -0.563 51.670 52.037 0.327 0.000 0.710 127 A CB 1.636 20.801 19.000 0.275 0.000 1.288 127 A HN 1.002 nan 8.150 nan 0.000 0.408 128 H N 1.023 120.247 119.070 0.257 0.000 2.600 128 H HA 0.476 5.032 4.556 0.000 0.000 0.357 128 H C 0.192 175.478 175.328 -0.070 0.000 1.106 128 H CA 0.369 56.479 56.048 0.103 0.000 1.193 128 H CB 1.318 31.139 29.762 0.099 0.000 1.594 128 H HN 1.056 nan 8.280 nan 0.000 0.526 129 D N 1.873 122.216 120.400 -0.095 0.000 3.639 129 D HA -0.342 4.298 4.640 0.001 0.000 0.162 129 D C 1.488 177.464 176.300 -0.539 0.000 1.054 129 D CA 2.828 56.646 54.000 -0.302 0.000 1.085 129 D CB -0.871 39.661 40.800 -0.445 0.000 0.547 129 D HN 0.650 nan 8.370 nan 0.000 0.595 130 I N -1.696 118.400 120.570 -0.790 0.000 3.083 130 I HA 0.199 4.369 4.170 0.001 0.000 0.273 130 I C 1.951 177.709 176.117 -0.598 0.000 1.297 130 I CA 1.259 61.838 61.300 -1.202 0.000 1.452 130 I CB -0.869 36.367 38.000 -1.274 0.000 1.078 130 I HN 0.313 nan 8.210 nan 0.000 0.484 131 G N 2.058 110.631 108.800 -0.380 0.000 2.448 131 G HA2 -0.134 3.826 3.960 0.001 0.000 0.219 131 G HA3 -0.134 3.826 3.960 0.001 0.000 0.219 131 G C 1.582 176.414 174.900 -0.113 0.000 1.127 131 G CA 0.887 45.881 45.100 -0.177 0.000 0.766 131 G HN 0.505 nan 8.290 nan 0.000 0.552 132 I N -0.591 119.835 120.570 -0.240 0.000 2.163 132 I HA -0.131 4.039 4.170 0.001 0.000 0.240 132 I C 2.565 178.683 176.117 0.001 0.000 1.081 132 I CA 0.791 61.858 61.300 -0.389 0.000 1.353 132 I CB -0.316 37.360 38.000 -0.540 0.000 1.054 132 I HN 0.175 nan 8.210 nan 0.000 0.407 133 W N 1.370 122.567 121.300 -0.172 0.000 2.325 133 W HA -0.202 4.459 4.660 0.001 0.000 0.299 133 W C 2.150 178.683 176.519 0.024 0.000 1.215 133 W CA 0.775 58.073 57.345 -0.078 0.000 1.244 133 W CB -1.476 27.913 29.460 -0.118 0.000 1.140 133 W HN 0.216 nan 8.180 nan 0.000 0.523 134 N N -0.882 117.958 118.700 0.233 0.000 2.336 134 N HA -0.017 4.724 4.740 0.001 0.000 0.189 134 N C 1.326 176.958 175.510 0.203 0.000 1.113 134 N CA 1.475 54.651 53.050 0.211 0.000 0.858 134 N CB 0.085 38.654 38.487 0.136 0.000 0.970 134 N HN 0.315 nan 8.380 nan 0.000 0.471 135 T N -4.046 110.641 114.554 0.221 0.000 2.964 135 T HA -0.001 4.349 4.350 0.001 0.000 0.250 135 T C 1.761 176.632 174.700 0.285 0.000 0.982 135 T CA -0.272 61.982 62.100 0.257 0.000 0.959 135 T CB -0.446 68.608 68.868 0.309 0.000 1.141 135 T HN 0.063 nan 8.240 nan 0.000 0.494 136 Y N 4.140 124.579 120.300 0.233 0.000 2.114 136 Y HA -0.010 4.540 4.550 0.001 0.000 0.282 136 Y C -1.123 174.863 175.900 0.143 0.000 1.165 136 Y CA 1.528 59.767 58.100 0.232 0.000 1.148 136 Y CB -1.372 37.189 38.460 0.168 0.000 0.972 136 Y HN 0.198 nan 8.280 nan 0.000 0.504 137 P HA -0.229 nan 4.420 nan 0.000 0.216 137 P C 1.656 178.837 177.300 -0.198 0.000 1.150 137 P CA 2.718 65.699 63.100 -0.197 0.000 0.837 137 P CB -0.412 31.296 31.700 0.012 0.000 0.786 138 M N -2.754 116.789 119.600 -0.095 0.000 2.319 138 M HA -0.012 4.468 4.480 0.001 0.000 0.265 138 M C 1.572 177.766 176.300 -0.178 0.000 1.068 138 M CA 1.774 56.988 55.300 -0.144 0.000 1.118 138 M CB -1.595 30.984 32.600 -0.034 0.000 1.395 138 M HN -0.315 nan 8.290 nan 0.000 0.435 139 V N -0.184 119.654 119.914 -0.126 0.000 2.270 139 V HA -0.167 3.954 4.120 0.001 0.000 0.245 139 V C 2.486 178.463 176.094 -0.195 0.000 1.043 139 V CA 1.739 63.959 62.300 -0.134 0.000 1.014 139 V CB -0.736 31.049 31.823 -0.064 0.000 0.645 139 V HN 0.512 nan 8.190 nan 0.000 0.447 140 V N -0.361 119.362 119.914 -0.319 0.000 2.626 140 V HA -0.161 3.959 4.120 0.001 0.000 0.252 140 V C 2.283 178.268 176.094 -0.182 0.000 1.067 140 V CA 1.885 64.022 62.300 -0.271 0.000 1.081 140 V CB -0.373 31.183 31.823 -0.446 0.000 0.686 140 V HN 0.537 nan 8.190 nan 0.000 0.468 141 K N 0.153 120.434 120.400 -0.199 0.000 2.400 141 K HA 0.144 4.464 4.320 0.001 0.000 0.194 141 K C 0.267 176.774 176.600 -0.155 0.000 1.033 141 K CA 0.416 56.611 56.287 -0.153 0.000 1.021 141 K CB 0.122 32.532 32.500 -0.151 0.000 0.808 141 K HN 0.465 nan 8.250 nan 0.000 0.505 142 N N 1.184 119.774 118.700 -0.183 0.000 2.646 142 N HA 0.067 4.807 4.740 0.001 0.000 0.303 142 N C 0.158 175.597 175.510 -0.118 0.000 1.921 142 N CA 0.004 52.960 53.050 -0.157 0.000 0.872 142 N CB 1.146 39.466 38.487 -0.279 0.000 1.327 142 N HN 0.118 nan 8.380 nan 0.000 0.492 143 Q N 0.522 120.262 119.800 -0.100 0.000 2.181 143 Q HA -0.094 4.247 4.340 0.001 0.000 0.205 143 Q C 1.870 177.816 176.000 -0.090 0.000 0.980 143 Q CA 1.585 57.332 55.803 -0.093 0.000 0.862 143 Q CB 0.038 28.737 28.738 -0.065 0.000 0.905 143 Q HN 0.458 nan 8.270 nan 0.000 0.429 144 A N 1.213 123.994 122.820 -0.064 0.000 2.067 144 A HA -0.163 4.158 4.320 0.001 0.000 0.219 144 A C 1.251 178.795 177.584 -0.065 0.000 1.158 144 A CA 1.409 53.416 52.037 -0.051 0.000 0.661 144 A CB -0.095 18.891 19.000 -0.023 0.000 0.801 144 A HN 0.188 nan 8.150 nan 0.000 0.452 145 D N -0.543 119.809 120.400 -0.080 0.000 2.347 145 D HA 0.075 4.716 4.640 0.001 0.000 0.213 145 D C 0.069 176.110 176.300 -0.432 0.000 0.985 145 D CA 0.465 54.398 54.000 -0.112 0.000 0.879 145 D CB 0.182 41.034 40.800 0.086 0.000 0.919 145 D HN 0.252 nan 8.370 nan 0.000 0.526 146 I N 0.960 121.307 120.570 -0.371 0.000 2.354 146 I HA 0.294 4.464 4.170 0.001 0.000 0.286 146 I C 1.154 177.119 176.117 -0.253 0.000 1.007 146 I CA -0.789 60.239 61.300 -0.454 0.000 1.167 146 I CB 0.879 38.678 38.000 -0.334 0.000 1.320 146 I HN -0.220 nan 8.210 nan 0.000 0.458 147 A N 8.074 130.759 122.820 -0.225 0.000 1.840 147 A HA 0.109 4.430 4.320 0.001 0.000 0.214 147 A C 1.043 178.569 177.584 -0.097 0.000 1.198 147 A CA 1.018 52.983 52.037 -0.120 0.000 0.608 147 A CB 0.248 19.203 19.000 -0.074 0.000 0.839 147 A HN 0.684 nan 8.150 nan 0.000 0.443 148 R N -2.364 118.082 120.500 -0.089 0.000 2.808 148 R HA 0.691 5.031 4.340 0.001 0.000 0.272 148 R C -1.972 174.336 176.300 0.014 0.000 0.995 148 R CA -0.729 55.361 56.100 -0.018 0.000 0.917 148 R CB 1.748 32.012 30.300 -0.061 0.000 1.217 148 R HN 0.281 nan 8.270 nan 0.000 0.471 149 L N 0.853 122.136 121.223 0.101 0.000 2.436 149 L HA 0.566 4.906 4.340 0.001 0.000 0.268 149 L C -1.698 175.136 176.870 -0.059 0.000 0.974 149 L CA -0.596 54.212 54.840 -0.054 0.000 0.826 149 L CB 2.466 44.398 42.059 -0.213 0.000 1.291 149 L HN 0.413 nan 8.230 nan 0.000 0.406 150 V N 5.413 125.279 119.914 -0.080 0.000 2.443 150 V HA 0.495 4.615 4.120 0.001 0.000 0.293 150 V C -1.166 175.001 176.094 0.122 0.000 1.021 150 V CA -0.533 61.727 62.300 -0.066 0.000 0.848 150 V CB 1.359 33.159 31.823 -0.039 0.000 0.998 150 V HN 0.530 nan 8.190 nan 0.000 0.424 151 Y N 5.477 125.775 120.300 -0.004 0.000 2.377 151 Y HA 0.792 5.342 4.550 0.000 0.000 0.339 151 Y C 0.170 176.096 175.900 0.044 0.000 1.011 151 Y CA -1.766 56.360 58.100 0.044 0.000 1.093 151 Y CB 2.128 40.615 38.460 0.045 0.000 1.201 151 Y HN 0.726 nan 8.280 nan 0.000 0.455 152 M N 1.520 121.251 119.600 0.218 0.000 2.324 152 M HA 0.555 5.035 4.480 0.001 0.000 0.288 152 M C -0.798 175.587 176.300 0.141 0.000 1.097 152 M CA -0.723 54.648 55.300 0.118 0.000 0.928 152 M CB 2.610 35.218 32.600 0.014 0.000 1.648 152 M HN 0.523 nan 8.290 nan 0.000 0.460 153 E N 0.890 121.162 120.200 0.121 0.000 2.257 153 E HA -0.101 4.249 4.350 0.001 0.000 0.217 153 E C -1.177 175.544 176.600 0.202 0.000 1.248 153 E CA 1.371 57.861 56.400 0.151 0.000 0.691 153 E CB -1.385 28.334 29.700 0.032 0.000 1.185 153 E HN 1.130 nan 8.360 nan 0.000 0.377 154 A N -0.002 122.924 122.820 0.177 0.000 2.592 154 A HA 0.536 4.856 4.320 0.001 0.000 0.300 154 A C -2.958 174.781 177.584 0.258 0.000 0.994 154 A CA -1.104 51.042 52.037 0.182 0.000 0.707 154 A CB 1.157 20.207 19.000 0.083 0.000 1.273 154 A HN -0.033 nan 8.150 nan 0.000 0.413 155 P HA 0.466 nan 4.420 nan 0.000 0.275 155 P C -0.295 177.138 177.300 0.222 0.000 1.227 155 P CA -0.005 63.331 63.100 0.393 0.000 0.781 155 P CB 0.341 32.245 31.700 0.339 0.000 0.906 156 I N 4.425 125.001 120.570 0.009 0.000 2.618 156 I HA 0.044 4.214 4.170 0.001 0.000 0.284 156 I C -1.833 174.130 176.117 -0.257 0.000 1.146 156 I CA -1.833 59.320 61.300 -0.245 0.000 1.425 156 I CB 0.033 37.606 38.000 -0.711 0.000 1.383 156 I HN 0.135 nan 8.210 nan 0.000 0.562 157 P HA 0.013 nan 4.420 nan 0.000 0.260 157 P C -1.354 175.805 177.300 -0.234 0.000 1.207 157 P CA 0.312 63.131 63.100 -0.467 0.000 0.780 157 P CB 0.188 31.517 31.700 -0.617 0.000 0.789 158 D N 1.864 122.160 120.400 -0.173 0.000 2.838 158 D HA 0.337 4.977 4.640 0.001 0.000 0.334 158 D C 0.734 176.931 176.300 -0.171 0.000 1.315 158 D CA -0.796 53.159 54.000 -0.075 0.000 0.917 158 D CB -0.115 40.733 40.800 0.081 0.000 1.435 158 D HN 0.029 nan 8.370 nan 0.000 0.517 159 A N -0.461 122.331 122.820 -0.047 0.000 2.076 159 A HA -0.149 4.171 4.320 0.001 0.000 0.220 159 A C 1.945 179.513 177.584 -0.028 0.000 1.160 159 A CA 1.439 53.473 52.037 -0.005 0.000 0.653 159 A CB -0.790 18.307 19.000 0.162 0.000 0.801 159 A HN 0.479 nan 8.150 nan 0.000 0.455 160 R N -0.067 120.460 120.500 0.045 0.000 2.127 160 R HA -0.146 4.194 4.340 0.001 0.000 0.238 160 R C 2.034 178.450 176.300 0.192 0.000 1.134 160 R CA 1.629 57.826 56.100 0.162 0.000 0.975 160 R CB -0.757 29.749 30.300 0.344 0.000 0.865 160 R HN 0.863 nan 8.270 nan 0.000 0.447 161 I N -2.398 118.219 120.570 0.078 0.000 2.756 161 I HA -0.191 3.979 4.170 0.001 0.000 0.262 161 I C 0.863 177.091 176.117 0.185 0.000 1.225 161 I CA 1.319 62.734 61.300 0.191 0.000 1.472 161 I CB -0.281 37.690 38.000 -0.048 0.000 1.094 161 I HN -0.008 nan 8.210 nan 0.000 0.454 162 Y N 1.530 121.965 120.300 0.226 0.000 2.529 162 Y HA 0.190 4.741 4.550 0.001 0.000 0.290 162 Y C 2.024 178.001 175.900 0.130 0.000 1.177 162 Y CA 0.056 58.252 58.100 0.159 0.000 1.305 162 Y CB -0.496 38.026 38.460 0.103 0.000 1.047 162 Y HN 0.162 nan 8.280 nan 0.000 0.522 163 R N -0.856 119.769 120.500 0.209 0.000 2.334 163 R HA 0.129 4.470 4.340 0.001 0.000 0.212 163 R C -0.303 175.978 176.300 -0.032 0.000 0.897 163 R CA -0.283 55.855 56.100 0.062 0.000 1.056 163 R CB -0.595 29.694 30.300 -0.018 0.000 1.046 163 R HN 0.197 nan 8.270 nan 0.000 0.513 164 F N 3.642 123.587 119.950 -0.007 0.000 2.518 164 F HA 0.138 4.666 4.527 0.001 0.000 0.359 164 F C -1.141 174.646 175.800 -0.023 0.000 1.118 164 F CA -1.454 56.504 58.000 -0.070 0.000 1.287 164 F CB 0.076 38.972 39.000 -0.174 0.000 1.132 164 F HN -0.078 nan 8.300 nan 0.000 0.587 165 P HA 0.187 nan 4.420 nan 0.000 0.278 165 P C -0.321 177.061 177.300 0.137 0.000 1.238 165 P CA -0.328 62.835 63.100 0.106 0.000 0.794 165 P CB 1.435 33.170 31.700 0.057 0.000 0.955 166 A N 2.094 125.004 122.820 0.150 0.000 2.067 166 A HA 0.109 4.429 4.320 0.001 0.000 0.217 166 A C 0.445 178.179 177.584 0.249 0.000 1.156 166 A CA 1.002 53.147 52.037 0.181 0.000 0.683 166 A CB -0.548 18.533 19.000 0.136 0.000 0.808 166 A HN 0.562 nan 8.150 nan 0.000 0.455 167 F N -1.075 118.880 119.950 0.010 0.000 2.665 167 F HA 0.481 5.008 4.527 0.000 0.000 0.308 167 F C -0.363 175.429 175.800 -0.013 0.000 1.112 167 F CA -0.147 57.837 58.000 -0.026 0.000 0.972 167 F CB 1.347 40.314 39.000 -0.055 0.000 1.295 167 F HN 0.049 nan 8.300 nan 0.000 0.440 168 T N 0.839 114.975 114.554 -0.697 0.000 2.916 168 T HA 0.676 5.027 4.350 0.001 0.000 0.292 168 T C 0.565 174.895 174.700 -0.616 0.000 1.064 168 T CA -0.236 61.582 62.100 -0.469 0.000 1.011 168 T CB 1.575 70.280 68.868 -0.273 0.000 1.152 168 T HN 0.990 nan 8.240 nan 0.000 0.510 169 A N 0.095 122.732 122.820 -0.305 0.000 2.178 169 A HA 0.003 4.324 4.320 0.001 0.000 0.218 169 A C 1.943 179.402 177.584 -0.209 0.000 1.157 169 A CA 1.268 53.177 52.037 -0.214 0.000 0.689 169 A CB -0.824 18.112 19.000 -0.107 0.000 0.787 169 A HN 0.754 nan 8.150 nan 0.000 0.465 170 Q N -1.753 117.904 119.800 -0.238 0.000 2.396 170 Q HA 0.420 4.760 4.340 0.001 0.000 0.209 170 Q C 1.031 176.921 176.000 -0.182 0.000 0.906 170 Q CA 0.823 56.532 55.803 -0.156 0.000 0.927 170 Q CB 0.713 29.398 28.738 -0.088 0.000 1.069 170 Q HN 0.756 nan 8.270 nan 0.000 0.523 171 G N 0.591 109.162 108.800 -0.383 0.000 2.225 171 G HA2 -0.136 3.825 3.960 0.001 0.000 0.203 171 G HA3 -0.136 3.825 3.960 0.001 0.000 0.203 171 G C -1.401 173.302 174.900 -0.329 0.000 1.335 171 G CA -0.525 44.387 45.100 -0.313 0.000 1.183 171 G HN 0.258 nan 8.290 nan 0.000 0.488 172 E N 0.402 120.579 120.200 -0.040 0.000 2.452 172 E HA 0.437 4.787 4.350 0.001 0.000 0.261 172 E C 0.846 177.478 176.600 0.052 0.000 0.987 172 E CA 0.317 56.741 56.400 0.039 0.000 0.926 172 E CB 0.810 30.581 29.700 0.118 0.000 0.934 172 E HN 0.952 nan 8.360 nan 0.000 0.452 173 S N 3.317 119.119 115.700 0.170 0.000 2.661 173 S HA 0.152 4.622 4.470 0.001 0.000 0.265 173 S C 1.132 175.796 174.600 0.106 0.000 1.225 173 S CA -0.834 57.427 58.200 0.103 0.000 0.986 173 S CB 0.621 63.896 63.200 0.126 0.000 1.008 173 S HN 0.656 nan 8.310 nan 0.000 0.565 174 L N 0.062 121.259 121.223 -0.043 0.000 2.056 174 L HA 0.017 4.357 4.340 0.001 0.000 0.207 174 L C 1.630 178.406 176.870 -0.158 0.000 1.078 174 L CA 1.112 55.871 54.840 -0.135 0.000 0.749 174 L CB -0.385 41.567 42.059 -0.179 0.000 0.901 174 L HN 0.788 nan 8.230 nan 0.000 0.433 175 V N -4.794 114.884 119.914 -0.393 0.000 2.988 175 V HA 0.038 4.158 4.120 0.001 0.000 0.356 175 V C 1.418 177.050 176.094 -0.770 0.000 1.380 175 V CA -0.787 60.907 62.300 -1.009 0.000 1.184 175 V CB -0.510 30.175 31.823 -1.896 0.000 1.204 175 V HN 0.509 nan 8.190 nan 0.000 0.530 176 W N 1.870 123.017 121.300 -0.255 0.000 2.364 176 W HA -0.193 4.467 4.660 0.001 0.000 0.281 176 W C 1.889 178.346 176.519 -0.104 0.000 1.219 176 W CA 1.557 58.835 57.345 -0.113 0.000 1.220 176 W CB -1.361 28.100 29.460 0.003 0.000 1.127 176 W HN 0.728 nan 8.180 nan 0.000 0.556 177 H N -0.964 117.566 119.070 -0.900 0.000 2.521 177 H HA -0.153 4.403 4.556 0.001 0.000 0.286 177 H C 1.735 176.643 175.328 -0.700 0.000 1.034 177 H CA 1.002 56.386 56.048 -1.107 0.000 1.278 177 H CB -1.367 27.550 29.762 -1.408 0.000 1.386 177 H HN -0.030 nan 8.280 nan 0.000 0.567 178 F N 2.323 121.754 119.950 -0.864 0.000 2.091 178 F HA -0.202 4.326 4.527 0.000 0.000 0.299 178 F C 2.852 178.583 175.800 -0.115 0.000 1.103 178 F CA 1.200 58.995 58.000 -0.342 0.000 1.228 178 F CB -0.988 37.898 39.000 -0.189 0.000 0.984 178 F HN 0.183 nan 8.300 nan 0.000 0.477 179 S N -0.246 115.552 115.700 0.164 0.000 2.355 179 S HA -0.150 4.320 4.470 0.001 0.000 0.222 179 S C 1.921 176.648 174.600 0.211 0.000 1.031 179 S CA 0.720 59.033 58.200 0.188 0.000 0.993 179 S CB -0.647 62.676 63.200 0.206 0.000 0.859 179 S HN 0.279 nan 8.310 nan 0.000 0.453 180 F N 2.267 122.221 119.950 0.006 0.000 2.065 180 F HA -0.134 4.393 4.527 0.001 0.000 0.298 180 F C 1.692 177.490 175.800 -0.003 0.000 1.112 180 F CA 1.182 59.190 58.000 0.014 0.000 1.212 180 F CB -0.817 38.184 39.000 0.000 0.000 0.975 180 F HN 0.166 nan 8.300 nan 0.000 0.476 181 F N 0.307 120.034 119.950 -0.371 0.000 2.259 181 F HA 0.104 4.631 4.527 0.001 0.000 0.298 181 F C 2.595 178.236 175.800 -0.264 0.000 1.088 181 F CA 0.682 58.283 58.000 -0.665 0.000 1.358 181 F CB -1.902 36.656 39.000 -0.737 0.000 1.040 181 F HN 0.075 nan 8.300 nan 0.000 0.505 182 A N -0.070 122.823 122.820 0.123 0.000 2.169 182 A HA 0.407 4.728 4.320 0.001 0.000 0.212 182 A C 1.538 179.171 177.584 0.081 0.000 1.153 182 A CA 0.492 52.608 52.037 0.131 0.000 0.756 182 A CB -1.006 18.085 19.000 0.153 0.000 0.813 182 A HN 0.131 nan 8.150 nan 0.000 0.471 183 A N 0.762 123.623 122.820 0.069 0.000 2.520 183 A HA 0.367 4.688 4.320 0.001 0.000 0.235 183 A C -0.081 177.528 177.584 0.041 0.000 1.065 183 A CA -0.246 51.835 52.037 0.073 0.000 0.764 183 A CB 0.043 19.114 19.000 0.118 0.000 1.002 183 A HN 0.410 nan 8.150 nan 0.000 0.502 184 D N 0.221 120.649 120.400 0.046 0.000 2.372 184 D HA 0.202 4.842 4.640 0.001 0.000 0.243 184 D C 0.238 176.555 176.300 0.029 0.000 1.297 184 D CA 0.723 54.744 54.000 0.035 0.000 0.958 184 D CB 0.197 41.018 40.800 0.035 0.000 1.114 184 D HN 0.589 nan 8.370 nan 0.000 0.496 185 D N -0.475 119.940 120.400 0.025 0.000 3.076 185 D HA -0.233 4.407 4.640 0.001 0.000 0.218 185 D C -0.234 176.076 176.300 0.016 0.000 1.156 185 D CA 0.753 54.766 54.000 0.023 0.000 0.921 185 D CB -0.903 39.913 40.800 0.028 0.000 1.113 185 D HN 0.506 nan 8.370 nan 0.000 0.418 186 R N -1.405 119.099 120.500 0.007 0.000 3.405 186 R HA -0.259 4.081 4.340 0.001 0.000 0.258 186 R C 1.585 177.869 176.300 -0.027 0.000 1.030 186 R CA 0.696 56.792 56.100 -0.007 0.000 0.691 186 R CB -1.636 28.668 30.300 0.008 0.000 1.093 186 R HN 0.311 nan 8.270 nan 0.000 0.448 187 L N 0.296 121.504 121.223 -0.024 0.000 1.990 187 L HA -0.238 4.102 4.340 0.001 0.000 0.213 187 L C 2.402 179.232 176.870 -0.065 0.000 1.072 187 L CA 2.636 57.484 54.840 0.015 0.000 0.755 187 L CB -0.546 41.571 42.059 0.097 0.000 0.889 187 L HN 0.425 nan 8.230 nan 0.000 0.432 188 A N -0.938 121.661 122.820 -0.369 0.000 1.877 188 A HA -0.229 4.091 4.320 0.001 0.000 0.216 188 A C 2.110 179.459 177.584 -0.392 0.000 1.186 188 A CA 1.822 53.349 52.037 -0.849 0.000 0.620 188 A CB -0.734 17.141 19.000 -1.875 0.000 0.822 188 A HN 0.575 nan 8.150 nan 0.000 0.443 189 E N -0.534 119.593 120.200 -0.121 0.000 2.077 189 E HA -0.110 4.240 4.350 0.001 0.000 0.193 189 E C 2.086 178.687 176.600 0.002 0.000 0.989 189 E CA 1.818 58.255 56.400 0.063 0.000 0.800 189 E CB -0.508 29.236 29.700 0.074 0.000 0.746 189 E HN 0.585 nan 8.360 nan 0.000 0.452 190 T N 0.822 115.373 114.554 -0.005 0.000 2.788 190 T HA -0.078 4.272 4.350 0.001 0.000 0.268 190 T C 1.774 176.494 174.700 0.032 0.000 1.044 190 T CA 0.838 62.946 62.100 0.014 0.000 1.139 190 T CB -0.119 68.761 68.868 0.021 0.000 0.867 190 T HN 0.077 nan 8.240 nan 0.000 0.454 191 L N -0.211 121.044 121.223 0.054 0.000 2.179 191 L HA 0.171 4.512 4.340 0.001 0.000 0.208 191 L C 2.214 179.142 176.870 0.098 0.000 1.096 191 L CA 1.028 55.931 54.840 0.105 0.000 0.779 191 L CB -0.304 41.885 42.059 0.218 0.000 0.922 191 L HN 0.265 nan 8.230 nan 0.000 0.443 192 I N -0.238 120.358 120.570 0.043 0.000 3.228 192 I HA 0.038 4.208 4.170 0.001 0.000 0.279 192 I C 1.374 177.507 176.117 0.026 0.000 1.221 192 I CA -0.267 61.055 61.300 0.036 0.000 1.458 192 I CB 0.008 37.946 38.000 -0.102 0.000 1.105 192 I HN 0.035 nan 8.210 nan 0.000 0.445 193 A N 1.175 123.992 122.820 -0.005 0.000 2.566 193 A HA 0.303 4.623 4.320 0.001 0.000 0.245 193 A C 1.482 179.065 177.584 -0.002 0.000 1.056 193 A CA 0.934 52.953 52.037 -0.030 0.000 0.757 193 A CB -0.604 18.379 19.000 -0.029 0.000 0.979 193 A HN 0.741 nan 8.150 nan 0.000 0.508 194 G N 1.986 110.779 108.800 -0.011 0.000 2.199 194 G HA2 -0.272 3.689 3.960 0.001 0.000 0.254 194 G HA3 -0.272 3.689 3.960 0.001 0.000 0.254 194 G C 0.484 175.416 174.900 0.054 0.000 0.982 194 G CA 0.850 45.956 45.100 0.011 0.000 0.632 194 G HN 0.886 nan 8.290 nan 0.000 0.529 195 K N -0.081 120.381 120.400 0.102 0.000 2.676 195 K HA 0.371 4.691 4.320 0.001 0.000 0.205 195 K C 1.163 177.959 176.600 0.326 0.000 1.084 195 K CA 0.087 56.503 56.287 0.215 0.000 1.057 195 K CB 0.668 33.313 32.500 0.242 0.000 0.791 195 K HN 0.248 nan 8.250 nan 0.000 0.484 196 E N 0.779 121.100 120.200 0.201 0.000 2.077 196 E HA -0.198 4.152 4.350 0.001 0.000 0.193 196 E C 1.814 178.673 176.600 0.432 0.000 0.989 196 E CA 1.066 57.613 56.400 0.246 0.000 0.800 196 E CB 0.056 29.696 29.700 -0.101 0.000 0.746 196 E HN 0.089 nan 8.360 nan 0.000 0.452 197 R N 0.360 121.042 120.500 0.303 0.000 2.073 197 R HA -0.119 4.221 4.340 0.001 0.000 0.234 197 R C 1.990 178.453 176.300 0.272 0.000 1.134 197 R CA 1.340 57.593 56.100 0.255 0.000 0.952 197 R CB -0.894 29.513 30.300 0.178 0.000 0.850 197 R HN 0.298 nan 8.270 nan 0.000 0.433 198 F N 0.028 120.096 119.950 0.197 0.000 2.102 198 F HA -0.141 4.387 4.527 0.000 0.000 0.298 198 F C 1.879 177.845 175.800 0.277 0.000 1.105 198 F CA 1.762 59.883 58.000 0.201 0.000 1.239 198 F CB -0.763 38.349 39.000 0.186 0.000 0.991 198 F HN 0.121 nan 8.300 nan 0.000 0.474 199 F N 0.357 120.384 119.950 0.129 0.000 2.134 199 F HA -0.145 4.383 4.527 0.000 0.000 0.299 199 F C 1.982 177.860 175.800 0.130 0.000 1.097 199 F CA 1.573 59.630 58.000 0.096 0.000 1.264 199 F CB -0.708 38.517 39.000 0.374 0.000 1.001 199 F HN 0.090 nan 8.300 nan 0.000 0.479 200 L N 0.890 122.190 121.223 0.130 0.000 2.046 200 L HA -0.169 4.171 4.340 0.001 0.000 0.208 200 L C 2.417 179.152 176.870 -0.224 0.000 1.077 200 L CA 2.159 56.924 54.840 -0.126 0.000 0.747 200 L CB -1.052 40.895 42.059 -0.187 0.000 0.896 200 L HN 0.374 nan 8.230 nan 0.000 0.432 201 E N -1.636 118.468 120.200 -0.161 0.000 2.077 201 E HA -0.342 4.008 4.350 0.001 0.000 0.193 201 E C 2.205 178.671 176.600 -0.222 0.000 0.989 201 E CA 1.495 57.783 56.400 -0.186 0.000 0.800 201 E CB -0.189 29.460 29.700 -0.085 0.000 0.746 201 E HN 0.718 nan 8.360 nan 0.000 0.452 202 H N -0.800 118.060 119.070 -0.350 0.000 2.321 202 H HA -0.155 4.401 4.556 0.000 0.000 0.300 202 H C 1.811 177.012 175.328 -0.211 0.000 1.087 202 H CA 2.102 57.967 56.048 -0.304 0.000 1.319 202 H CB -0.424 29.093 29.762 -0.409 0.000 1.379 202 H HN 0.277 nan 8.280 nan 0.000 0.501 203 F N 0.478 120.182 119.950 -0.410 0.000 2.095 203 F HA -0.165 4.362 4.527 0.000 0.000 0.298 203 F C 2.173 177.930 175.800 -0.072 0.000 1.104 203 F CA 1.765 59.594 58.000 -0.285 0.000 1.232 203 F CB -0.334 38.389 39.000 -0.462 0.000 0.987 203 F HN 0.198 nan 8.300 nan 0.000 0.475 204 I N 0.217 120.708 120.570 -0.132 0.000 2.163 204 I HA -0.306 3.864 4.170 0.001 0.000 0.240 204 I C 2.323 178.289 176.117 -0.252 0.000 1.081 204 I CA 1.560 62.612 61.300 -0.414 0.000 1.353 204 I CB -0.539 36.728 38.000 -1.222 0.000 1.054 204 I HN 0.098 nan 8.210 nan 0.000 0.407 205 K N 0.657 120.868 120.400 -0.315 0.000 2.148 205 K HA -0.131 4.189 4.320 0.001 0.000 0.204 205 K C 2.190 178.723 176.600 -0.111 0.000 1.050 205 K CA 1.728 57.915 56.287 -0.167 0.000 0.942 205 K CB -0.183 32.223 32.500 -0.157 0.000 0.724 205 K HN 0.386 nan 8.250 nan 0.000 0.446 206 S N 0.086 115.632 115.700 -0.258 0.000 2.447 206 S HA -0.127 4.343 4.470 0.001 0.000 0.233 206 S C 1.192 175.673 174.600 -0.199 0.000 1.006 206 S CA 0.929 58.967 58.200 -0.270 0.000 0.957 206 S CB -0.292 62.596 63.200 -0.520 0.000 0.773 206 S HN 0.374 nan 8.310 nan 0.000 0.507 207 H N 1.071 120.082 119.070 -0.098 0.000 2.505 207 H HA 0.694 5.250 4.556 0.001 0.000 0.289 207 H C 0.490 175.897 175.328 0.131 0.000 1.052 207 H CA 0.307 56.288 56.048 -0.111 0.000 1.156 207 H CB 0.430 29.958 29.762 -0.389 0.000 1.507 207 H HN 0.569 nan 8.280 nan 0.000 0.548 208 A N -0.581 122.447 122.820 0.347 0.000 2.356 208 A HA 0.530 4.851 4.320 0.001 0.000 0.323 208 A C 0.879 178.631 177.584 0.280 0.000 1.119 208 A CA -0.259 52.014 52.037 0.394 0.000 0.790 208 A CB 1.628 20.903 19.000 0.458 0.000 1.273 208 A HN 0.218 nan 8.150 nan 0.000 0.452 209 S N 0.346 116.184 115.700 0.230 0.000 2.510 209 S HA 0.032 4.502 4.470 0.001 0.000 0.230 209 S C 0.345 175.011 174.600 0.109 0.000 1.066 209 S CA 0.265 58.556 58.200 0.151 0.000 0.941 209 S CB -0.185 63.092 63.200 0.127 0.000 0.829 209 S HN 0.688 nan 8.310 nan 0.000 0.530 210 N N 2.755 121.533 118.700 0.131 0.000 3.034 210 N HA 0.153 4.894 4.740 0.001 0.000 0.265 210 N C 0.728 176.318 175.510 0.133 0.000 1.166 210 N CA 0.348 53.453 53.050 0.092 0.000 1.081 210 N CB 0.845 39.364 38.487 0.054 0.000 1.378 210 N HN 0.608 nan 8.380 nan 0.000 0.520 211 T N -1.969 112.666 114.554 0.135 0.000 2.962 211 T HA -0.162 4.188 4.350 0.001 0.000 0.270 211 T C 1.492 176.282 174.700 0.150 0.000 1.088 211 T CA 0.717 62.930 62.100 0.189 0.000 1.127 211 T CB 0.042 68.969 68.868 0.098 0.000 0.883 211 T HN 0.382 nan 8.240 nan 0.000 0.493 212 E N 2.581 122.818 120.200 0.061 0.000 2.209 212 E HA -0.136 4.214 4.350 0.001 0.000 0.196 212 E C 2.270 178.855 176.600 -0.025 0.000 0.993 212 E CA 1.528 57.941 56.400 0.022 0.000 0.819 212 E CB -1.117 28.585 29.700 0.002 0.000 0.745 212 E HN 0.674 nan 8.360 nan 0.000 0.477 213 V N -1.806 118.043 119.914 -0.108 0.000 2.913 213 V HA -0.017 4.104 4.120 0.001 0.000 0.260 213 V C 0.974 176.838 176.094 -0.382 0.000 1.098 213 V CA 0.656 62.791 62.300 -0.274 0.000 1.121 213 V CB -1.258 30.317 31.823 -0.414 0.000 0.714 213 V HN -0.019 nan 8.190 nan 0.000 0.487 214 F N 3.299 123.226 119.950 -0.038 0.000 2.573 214 F HA 0.494 5.021 4.527 0.000 0.000 0.349 214 F C 1.310 177.089 175.800 -0.034 0.000 1.213 214 F CA -0.304 57.664 58.000 -0.055 0.000 1.300 214 F CB -0.412 38.517 39.000 -0.118 0.000 1.661 214 F HN 0.225 nan 8.300 nan 0.000 0.616 215 S N -0.157 115.587 115.700 0.072 0.000 2.576 215 S HA 0.039 4.509 4.470 0.001 0.000 0.272 215 S C 1.365 176.005 174.600 0.065 0.000 1.352 215 S CA -0.759 57.471 58.200 0.050 0.000 1.021 215 S CB 0.981 64.190 63.200 0.014 0.000 0.887 215 S HN 0.489 nan 8.310 nan 0.000 0.542 216 E N 1.297 121.523 120.200 0.044 0.000 2.118 216 E HA -0.200 4.151 4.350 0.001 0.000 0.195 216 E C 2.080 178.694 176.600 0.023 0.000 0.992 216 E CA 1.212 57.635 56.400 0.039 0.000 0.804 216 E CB -0.380 29.339 29.700 0.031 0.000 0.741 216 E HN 0.815 nan 8.360 nan 0.000 0.458 217 R N 0.641 121.147 120.500 0.009 0.000 2.073 217 R HA -0.148 4.192 4.340 0.001 0.000 0.234 217 R C 2.434 178.715 176.300 -0.032 0.000 1.134 217 R CA 1.175 57.264 56.100 -0.019 0.000 0.952 217 R CB -0.317 29.970 30.300 -0.023 0.000 0.850 217 R HN 0.140 nan 8.270 nan 0.000 0.433 218 L N 1.124 122.349 121.223 0.003 0.000 2.056 218 L HA -0.074 4.266 4.340 0.001 0.000 0.207 218 L C 2.037 178.938 176.870 0.052 0.000 1.078 218 L CA 1.544 56.390 54.840 0.010 0.000 0.749 218 L CB -0.352 41.756 42.059 0.083 0.000 0.901 218 L HN 0.253 nan 8.230 nan 0.000 0.433 219 L N -0.729 120.558 121.223 0.107 0.000 2.083 219 L HA -0.198 4.142 4.340 0.001 0.000 0.209 219 L C 2.217 179.122 176.870 0.057 0.000 1.083 219 L CA 1.121 56.024 54.840 0.105 0.000 0.752 219 L CB -0.828 41.269 42.059 0.062 0.000 0.899 219 L HN 0.262 nan 8.230 nan 0.000 0.433 220 D N 0.229 120.635 120.400 0.011 0.000 2.123 220 D HA -0.173 4.467 4.640 0.001 0.000 0.196 220 D C 2.389 178.641 176.300 -0.079 0.000 0.992 220 D CA 1.208 55.196 54.000 -0.021 0.000 0.833 220 D CB -0.198 40.576 40.800 -0.043 0.000 0.954 220 D HN 0.245 nan 8.370 nan 0.000 0.455 221 L N -0.332 120.796 121.223 -0.159 0.000 1.989 221 L HA -0.229 4.112 4.340 0.001 0.000 0.211 221 L C 2.517 179.261 176.870 -0.209 0.000 1.071 221 L CA 1.162 55.801 54.840 -0.335 0.000 0.749 221 L CB -0.508 41.279 42.059 -0.454 0.000 0.890 221 L HN 0.073 nan 8.230 nan 0.000 0.431 222 Y N -0.213 120.122 120.300 0.058 0.000 2.200 222 Y HA -0.191 4.359 4.550 0.001 0.000 0.290 222 Y C 2.605 178.515 175.900 0.017 0.000 1.137 222 Y CA 0.915 59.056 58.100 0.069 0.000 1.163 222 Y CB -0.921 37.484 38.460 -0.091 0.000 0.988 222 Y HN 0.126 nan 8.280 nan 0.000 0.518 223 A N 0.241 123.167 122.820 0.178 0.000 1.902 223 A HA -0.201 4.119 4.320 0.001 0.000 0.217 223 A C 2.292 180.006 177.584 0.216 0.000 1.181 223 A CA 1.636 53.835 52.037 0.271 0.000 0.623 223 A CB -0.571 18.550 19.000 0.202 0.000 0.818 223 A HN 0.410 nan 8.150 nan 0.000 0.443 224 R N -0.599 119.933 120.500 0.052 0.000 2.105 224 R HA -0.113 4.227 4.340 0.001 0.000 0.239 224 R C 2.615 178.896 176.300 -0.032 0.000 1.135 224 R CA 1.488 57.568 56.100 -0.034 0.000 0.967 224 R CB -0.404 29.819 30.300 -0.129 0.000 0.861 224 R HN 0.558 nan 8.270 nan 0.000 0.442 225 S N 0.487 116.195 115.700 0.012 0.000 2.355 225 S HA -0.177 4.293 4.470 0.001 0.000 0.222 225 S C 1.845 176.498 174.600 0.088 0.000 1.031 225 S CA 1.106 59.339 58.200 0.054 0.000 0.993 225 S CB -0.202 63.125 63.200 0.211 0.000 0.859 225 S HN 0.596 nan 8.310 nan 0.000 0.453 226 Y N 0.159 120.421 120.300 -0.064 0.000 2.529 226 Y HA 0.549 5.099 4.550 0.000 0.000 0.290 226 Y C 1.803 177.611 175.900 -0.154 0.000 1.177 226 Y CA 0.352 58.371 58.100 -0.134 0.000 1.305 226 Y CB -0.315 38.029 38.460 -0.193 0.000 1.047 226 Y HN 0.274 nan 8.280 nan 0.000 0.522 227 A N 1.132 123.772 122.820 -0.300 0.000 2.167 227 A HA 0.056 4.376 4.320 0.001 0.000 0.214 227 A C 1.028 178.452 177.584 -0.268 0.000 1.151 227 A CA -0.203 51.615 52.037 -0.365 0.000 0.735 227 A CB -0.319 18.566 19.000 -0.191 0.000 0.802 227 A HN 0.389 nan 8.150 nan 0.000 0.467 228 K N 0.709 120.963 120.400 -0.243 0.000 2.453 228 K HA 0.061 4.381 4.320 0.001 0.000 0.280 228 K C -1.908 174.493 176.600 -0.331 0.000 1.045 228 K CA -0.996 55.122 56.287 -0.281 0.000 1.059 228 K CB 0.412 32.679 32.500 -0.389 0.000 0.901 228 K HN 0.054 nan 8.250 nan 0.000 0.475 229 P HA -0.245 nan 4.420 nan 0.000 0.216 229 P C 1.113 178.334 177.300 -0.131 0.000 1.154 229 P CA 1.433 64.444 63.100 -0.150 0.000 0.865 229 P CB -0.082 31.583 31.700 -0.059 0.000 0.789 230 H N -2.139 116.906 119.070 -0.042 0.000 2.457 230 H HA 0.103 4.659 4.556 0.000 0.000 0.294 230 H C 1.354 176.673 175.328 -0.015 0.000 1.064 230 H CA 1.258 57.297 56.048 -0.015 0.000 1.330 230 H CB -0.665 29.106 29.762 0.015 0.000 1.395 230 H HN 0.030 nan 8.280 nan 0.000 0.541 231 S N 0.914 116.358 115.700 -0.427 0.000 2.377 231 S HA -0.036 4.434 4.470 0.001 0.000 0.223 231 S C 2.191 176.667 174.600 -0.206 0.000 1.030 231 S CA 0.589 58.667 58.200 -0.203 0.000 0.970 231 S CB -0.191 62.864 63.200 -0.241 0.000 0.830 231 S HN 0.230 nan 8.310 nan 0.000 0.473 232 L N 3.212 124.233 121.223 -0.338 0.000 2.017 232 L HA -0.082 4.258 4.340 0.001 0.000 0.208 232 L C 2.044 178.571 176.870 -0.572 0.000 1.073 232 L CA 1.717 56.245 54.840 -0.520 0.000 0.745 232 L CB -0.798 40.977 42.059 -0.474 0.000 0.894 232 L HN 0.333 nan 8.230 nan 0.000 0.432 233 N N -0.407 118.123 118.700 -0.283 0.000 2.120 233 N HA -0.206 4.534 4.740 0.001 0.000 0.188 233 N C 1.803 177.179 175.510 -0.223 0.000 1.024 233 N CA 1.439 54.383 53.050 -0.177 0.000 0.852 233 N CB 0.001 38.453 38.487 -0.059 0.000 1.003 233 N HN 0.470 nan 8.380 nan 0.000 0.424 234 A N 0.756 123.490 122.820 -0.142 0.000 1.883 234 A HA -0.123 4.197 4.320 0.001 0.000 0.217 234 A C 2.502 180.022 177.584 -0.107 0.000 1.186 234 A CA 1.955 53.909 52.037 -0.138 0.000 0.624 234 A CB -0.954 18.184 19.000 0.231 0.000 0.822 234 A HN 0.441 nan 8.150 nan 0.000 0.444 235 S N -0.511 115.163 115.700 -0.043 0.000 2.372 235 S HA -0.190 4.281 4.470 0.001 0.000 0.227 235 S C 1.532 176.247 174.600 0.191 0.000 1.044 235 S CA 1.909 60.174 58.200 0.109 0.000 1.050 235 S CB -0.545 62.556 63.200 -0.164 0.000 0.901 235 S HN 0.566 nan 8.310 nan 0.000 0.447 236 F N 1.425 121.374 119.950 -0.002 0.000 2.456 236 F HA 0.155 4.682 4.527 0.001 0.000 0.298 236 F C 2.320 178.129 175.800 0.015 0.000 1.104 236 F CA -0.049 57.922 58.000 -0.048 0.000 1.435 236 F CB -0.776 38.066 39.000 -0.263 0.000 1.078 236 F HN 0.100 nan 8.300 nan 0.000 0.546 237 E N -0.443 119.681 120.200 -0.127 0.000 2.204 237 E HA -0.200 4.150 4.350 0.001 0.000 0.195 237 E C 2.058 178.491 176.600 -0.278 0.000 0.990 237 E CA 1.021 57.158 56.400 -0.438 0.000 0.821 237 E CB -0.594 28.310 29.700 -1.328 0.000 0.750 237 E HN 0.436 nan 8.360 nan 0.000 0.477 238 Y N -0.368 119.905 120.300 -0.045 0.000 2.224 238 Y HA -0.213 4.338 4.550 0.000 0.000 0.289 238 Y C 2.002 177.930 175.900 0.047 0.000 1.146 238 Y CA 1.237 59.385 58.100 0.081 0.000 1.182 238 Y CB -0.553 37.916 38.460 0.016 0.000 0.983 238 Y HN 0.159 nan 8.280 nan 0.000 0.524 239 Y N -1.275 119.214 120.300 0.316 0.000 2.420 239 Y HA -0.038 4.512 4.550 0.000 0.000 0.292 239 Y C 2.220 178.174 175.900 0.090 0.000 1.119 239 Y CA 0.581 58.807 58.100 0.211 0.000 1.229 239 Y CB -0.240 38.373 38.460 0.256 0.000 1.026 239 Y HN -0.130 nan 8.280 nan 0.000 0.554 240 R N -0.115 120.517 120.500 0.220 0.000 2.235 240 R HA 0.006 4.346 4.340 0.001 0.000 0.213 240 R C 1.874 178.224 176.300 0.083 0.000 1.059 240 R CA 0.884 57.056 56.100 0.119 0.000 0.997 240 R CB -0.133 30.213 30.300 0.076 0.000 0.884 240 R HN 0.235 nan 8.270 nan 0.000 0.462 241 A N 0.174 123.047 122.820 0.087 0.000 2.348 241 A HA 0.065 4.385 4.320 0.001 0.000 0.224 241 A C 1.645 179.240 177.584 0.018 0.000 1.227 241 A CA -0.151 51.933 52.037 0.079 0.000 0.885 241 A CB 0.045 19.127 19.000 0.136 0.000 0.933 241 A HN 0.170 nan 8.150 nan 0.000 0.506 242 L N 0.825 122.019 121.223 -0.049 0.000 2.012 242 L HA -0.185 4.155 4.340 0.001 0.000 0.210 242 L C 1.708 178.474 176.870 -0.172 0.000 1.073 242 L CA 2.398 57.088 54.840 -0.251 0.000 0.748 242 L CB -0.961 40.848 42.059 -0.416 0.000 0.891 242 L HN 0.513 nan 8.230 nan 0.000 0.431 243 N N -0.970 117.707 118.700 -0.039 0.000 2.166 243 N HA -0.228 4.512 4.740 0.001 0.000 0.186 243 N C 1.756 177.286 175.510 0.032 0.000 1.019 243 N CA 1.125 54.202 53.050 0.044 0.000 0.856 243 N CB -0.104 38.434 38.487 0.086 0.000 0.993 243 N HN 0.521 nan 8.380 nan 0.000 0.426 244 E N 0.631 120.844 120.200 0.022 0.000 2.077 244 E HA -0.138 4.212 4.350 0.001 0.000 0.193 244 E C 1.520 178.133 176.600 0.021 0.000 0.989 244 E CA 1.037 57.457 56.400 0.033 0.000 0.800 244 E CB 0.135 29.862 29.700 0.046 0.000 0.746 244 E HN 0.207 nan 8.360 nan 0.000 0.452 245 S N -0.019 115.672 115.700 -0.014 0.000 2.382 245 S HA -0.137 4.333 4.470 0.001 0.000 0.228 245 S C 2.012 176.586 174.600 -0.043 0.000 1.027 245 S CA 1.090 59.272 58.200 -0.030 0.000 0.991 245 S CB -0.145 62.990 63.200 -0.109 0.000 0.823 245 S HN 0.156 nan 8.310 nan 0.000 0.469 246 V N 2.200 122.067 119.914 -0.077 0.000 2.287 246 V HA -0.211 3.909 4.120 0.001 0.000 0.248 246 V C 2.475 178.590 176.094 0.035 0.000 1.053 246 V CA 1.720 63.994 62.300 -0.043 0.000 1.027 246 V CB -0.620 31.192 31.823 -0.018 0.000 0.646 246 V HN 0.410 nan 8.190 nan 0.000 0.447 247 R N -0.385 120.146 120.500 0.051 0.000 2.081 247 R HA -0.199 4.142 4.340 0.001 0.000 0.235 247 R C 2.410 178.748 176.300 0.063 0.000 1.131 247 R CA 1.678 57.815 56.100 0.061 0.000 0.960 247 R CB -0.380 29.953 30.300 0.055 0.000 0.856 247 R HN 0.618 nan 8.270 nan 0.000 0.436 248 Q N 0.344 120.182 119.800 0.063 0.000 2.050 248 Q HA -0.128 4.213 4.340 0.001 0.000 0.202 248 Q C 1.702 177.770 176.000 0.114 0.000 0.980 248 Q CA 1.370 57.220 55.803 0.078 0.000 0.840 248 Q CB -0.110 28.675 28.738 0.079 0.000 0.898 248 Q HN 0.306 nan 8.270 nan 0.000 0.424 249 N N 0.354 119.135 118.700 0.136 0.000 2.381 249 N HA -0.070 4.671 4.740 0.001 0.000 0.182 249 N C 1.397 177.018 175.510 0.185 0.000 1.025 249 N CA 1.027 54.213 53.050 0.225 0.000 0.888 249 N CB -0.233 38.362 38.487 0.181 0.000 0.965 249 N HN 0.248 nan 8.380 nan 0.000 0.438 250 A N 1.077 123.966 122.820 0.114 0.000 1.933 250 A HA -0.115 4.206 4.320 0.001 0.000 0.218 250 A C 2.069 179.698 177.584 0.074 0.000 1.175 250 A CA 1.162 53.248 52.037 0.083 0.000 0.628 250 A CB -0.116 18.925 19.000 0.067 0.000 0.814 250 A HN 0.081 nan 8.150 nan 0.000 0.444 251 E N 0.137 120.385 120.200 0.080 0.000 2.033 251 E HA -0.037 4.313 4.350 0.001 0.000 0.189 251 E C 2.116 178.762 176.600 0.078 0.000 0.979 251 E CA 0.819 57.257 56.400 0.064 0.000 0.802 251 E CB -0.546 29.185 29.700 0.053 0.000 0.763 251 E HN 0.652 nan 8.360 nan 0.000 0.449 252 L N 0.694 121.988 121.223 0.117 0.000 2.083 252 L HA -0.113 4.227 4.340 0.001 0.000 0.209 252 L C 2.282 179.259 176.870 0.180 0.000 1.083 252 L CA 1.130 56.047 54.840 0.128 0.000 0.752 252 L CB -0.540 41.610 42.059 0.152 0.000 0.899 252 L HN 0.022 nan 8.230 nan 0.000 0.433 253 A N -0.329 122.628 122.820 0.230 0.000 2.239 253 A HA -0.111 4.209 4.320 0.001 0.000 0.209 253 A C 2.084 179.687 177.584 0.031 0.000 1.171 253 A CA 0.786 52.928 52.037 0.176 0.000 0.768 253 A CB -0.379 18.646 19.000 0.043 0.000 0.790 253 A HN 0.321 nan 8.150 nan 0.000 0.478 254 K N -0.308 120.115 120.400 0.038 0.000 2.439 254 K HA -0.013 4.308 4.320 0.001 0.000 0.197 254 K C -0.313 176.292 176.600 0.008 0.000 1.041 254 K CA 0.791 57.082 56.287 0.007 0.000 0.970 254 K CB 0.048 32.555 32.500 0.012 0.000 0.773 254 K HN 0.340 nan 8.250 nan 0.000 0.479 255 T N 1.137 115.710 114.554 0.031 0.000 2.786 255 T HA 0.284 4.635 4.350 0.001 0.000 0.283 255 T C -0.283 174.450 174.700 0.054 0.000 0.992 255 T CA -0.687 61.429 62.100 0.027 0.000 0.954 255 T CB 1.762 70.641 68.868 0.017 0.000 0.934 255 T HN 0.034 nan 8.240 nan 0.000 0.440 256 R N 1.928 122.450 120.500 0.038 0.000 2.582 256 R HA 0.400 4.741 4.340 0.001 0.000 0.271 256 R C -0.047 176.297 176.300 0.073 0.000 1.078 256 R CA -0.601 55.537 56.100 0.063 0.000 1.127 256 R CB 0.558 30.875 30.300 0.029 0.000 1.038 256 R HN 0.524 nan 8.270 nan 0.000 0.500 257 L N 3.035 124.326 121.223 0.113 0.000 2.367 257 L HA 0.037 4.377 4.340 0.001 0.000 0.275 257 L C 1.234 178.128 176.870 0.040 0.000 1.129 257 L CA -0.020 54.866 54.840 0.077 0.000 0.839 257 L CB 0.926 43.050 42.059 0.108 0.000 1.133 257 L HN 0.520 nan 8.230 nan 0.000 0.453 258 Q N 2.465 122.273 119.800 0.014 0.000 2.378 258 Q HA 0.155 4.495 4.340 0.001 0.000 0.216 258 Q C 0.352 176.353 176.000 0.001 0.000 0.892 258 Q CA 0.271 56.077 55.803 0.006 0.000 0.931 258 Q CB 0.544 29.280 28.738 -0.004 0.000 1.086 258 Q HN 0.652 nan 8.270 nan 0.000 0.528 259 M N 0.696 120.292 119.600 -0.007 0.000 2.291 259 M HA 0.494 4.975 4.480 0.001 0.000 0.324 259 M C -2.575 173.741 176.300 0.026 0.000 1.148 259 M CA -1.998 53.296 55.300 -0.010 0.000 1.104 259 M CB -0.223 32.353 32.600 -0.041 0.000 1.483 259 M HN -0.327 nan 8.290 nan 0.000 0.467 260 P HA 0.200 nan 4.420 nan 0.000 0.264 260 P C -0.950 176.517 177.300 0.278 0.000 1.193 260 P CA 0.402 63.589 63.100 0.145 0.000 0.763 260 P CB 0.379 32.114 31.700 0.059 0.000 0.810 261 T N 3.713 118.425 114.554 0.264 0.000 2.893 261 T HA 0.635 4.985 4.350 0.001 0.000 0.293 261 T C -0.641 173.955 174.700 -0.173 0.000 1.027 261 T CA -0.488 61.652 62.100 0.066 0.000 0.988 261 T CB 1.058 69.913 68.868 -0.021 0.000 1.043 261 T HN 0.320 nan 8.240 nan 0.000 0.461 262 M N 3.088 122.389 119.600 -0.499 0.000 2.395 262 M HA 0.578 5.059 4.480 0.001 0.000 0.307 262 M C -0.766 175.383 176.300 -0.251 0.000 1.091 262 M CA -0.519 54.431 55.300 -0.584 0.000 0.919 262 M CB 1.889 33.753 32.600 -1.226 0.000 1.662 262 M HN 0.761 nan 8.290 nan 0.000 0.440 263 T N 3.009 117.490 114.554 -0.121 0.000 2.855 263 T HA 0.735 5.085 4.350 0.001 0.000 0.281 263 T C -0.735 173.980 174.700 0.025 0.000 1.007 263 T CA -0.835 61.261 62.100 -0.008 0.000 1.009 263 T CB 1.252 70.136 68.868 0.026 0.000 0.983 263 T HN 0.661 nan 8.240 nan 0.000 0.455 264 L N 1.748 123.001 121.223 0.049 0.000 2.362 264 L HA 0.875 5.215 4.340 0.001 0.000 0.271 264 L C -0.182 176.717 176.870 0.049 0.000 1.002 264 L CA -1.279 53.592 54.840 0.052 0.000 0.818 264 L CB 1.992 44.060 42.059 0.016 0.000 1.298 264 L HN 1.039 nan 8.230 nan 0.000 0.420 265 A N 1.080 123.930 122.820 0.051 0.000 2.549 265 A HA 0.778 5.098 4.320 0.001 0.000 0.297 265 A C -0.436 177.170 177.584 0.036 0.000 1.061 265 A CA -0.353 51.715 52.037 0.051 0.000 0.690 265 A CB 1.668 20.722 19.000 0.089 0.000 1.287 265 A HN 0.738 nan 8.150 nan 0.000 0.402 266 G N -0.329 108.486 108.800 0.025 0.000 2.390 266 G HA2 0.456 4.416 3.960 0.001 0.000 0.270 266 G HA3 0.456 4.416 3.960 0.001 0.000 0.270 266 G C 0.771 175.692 174.900 0.036 0.000 1.211 266 G CA 0.263 45.378 45.100 0.025 0.000 0.842 266 G HN 1.483 nan 8.290 nan 0.000 0.519 267 G N 0.819 109.641 108.800 0.037 0.000 2.986 267 G HA2 0.418 4.378 3.960 0.001 0.000 0.213 267 G HA3 0.418 4.378 3.960 0.001 0.000 0.213 267 G C 0.807 175.727 174.900 0.034 0.000 1.156 267 G CA 0.581 45.703 45.100 0.036 0.000 0.763 267 G HN 0.918 nan 8.290 nan 0.000 0.547 268 G N -0.879 107.946 108.800 0.042 0.000 2.532 268 G HA2 0.395 4.355 3.960 0.001 0.000 0.291 268 G HA3 0.395 4.355 3.960 0.001 0.000 0.291 268 G C -0.622 174.318 174.900 0.067 0.000 1.349 268 G CA -0.835 44.302 45.100 0.061 0.000 1.038 268 G HN 0.319 nan 8.290 nan 0.000 0.518 269 H N -1.091 117.980 119.070 0.001 0.000 3.125 269 H HA 0.325 4.882 4.556 0.000 0.000 0.310 269 H C 1.497 176.811 175.328 -0.024 0.000 0.980 269 H CA 1.876 57.911 56.048 -0.022 0.000 1.422 269 H CB 0.293 30.038 29.762 -0.028 0.000 1.432 269 H HN 1.054 nan 8.280 nan 0.000 0.577 270 G N 2.657 111.192 108.800 -0.442 0.000 2.175 270 G HA2 -0.213 3.747 3.960 0.001 0.000 0.244 270 G HA3 -0.213 3.747 3.960 0.001 0.000 0.244 270 G C 0.606 175.437 174.900 -0.116 0.000 0.982 270 G CA 0.142 45.064 45.100 -0.297 0.000 0.641 270 G HN 1.032 nan 8.290 nan 0.000 0.527 271 G N -1.061 107.699 108.800 -0.067 0.000 2.477 271 G HA2 0.567 4.527 3.960 0.001 0.000 0.304 271 G HA3 0.567 4.527 3.960 0.001 0.000 0.304 271 G C 0.996 175.904 174.900 0.013 0.000 1.175 271 G CA -0.176 44.923 45.100 -0.001 0.000 0.907 271 G HN 0.026 nan 8.290 nan 0.000 0.509 272 M N 0.621 120.261 119.600 0.065 0.000 2.506 272 M HA 0.141 4.621 4.480 0.001 0.000 0.260 272 M C 1.909 178.298 176.300 0.148 0.000 1.104 272 M CA 0.909 56.278 55.300 0.116 0.000 1.112 272 M CB -1.287 31.423 32.600 0.182 0.000 1.401 272 M HN 0.994 nan 8.290 nan 0.000 0.473 273 G N 1.540 110.401 108.800 0.102 0.000 2.596 273 G HA2 -0.407 3.553 3.960 0.001 0.000 0.295 273 G HA3 -0.407 3.553 3.960 0.001 0.000 0.295 273 G C 0.782 175.752 174.900 0.117 0.000 1.240 273 G CA 1.466 46.621 45.100 0.092 0.000 0.985 273 G HN 0.435 nan 8.290 nan 0.000 0.555 274 T N -1.587 113.030 114.554 0.105 0.000 3.072 274 T HA 0.144 4.494 4.350 0.001 0.000 0.266 274 T C 2.039 176.804 174.700 0.108 0.000 1.127 274 T CA 1.771 63.919 62.100 0.080 0.000 1.107 274 T CB -0.114 68.781 68.868 0.045 0.000 0.910 274 T HN 0.864 nan 8.240 nan 0.000 0.513 275 F N 2.150 122.123 119.950 0.039 0.000 2.126 275 F HA -0.079 4.448 4.527 0.000 0.000 0.299 275 F C 2.524 178.368 175.800 0.074 0.000 1.096 275 F CA 1.660 59.694 58.000 0.057 0.000 1.255 275 F CB -0.485 38.580 39.000 0.107 0.000 0.997 275 F HN 0.139 nan 8.300 nan 0.000 0.479 276 Q N 0.468 120.429 119.800 0.269 0.000 2.014 276 Q HA -0.244 4.096 4.340 0.001 0.000 0.207 276 Q C 2.115 178.121 176.000 0.010 0.000 0.993 276 Q CA 2.413 58.322 55.803 0.177 0.000 0.850 276 Q CB -0.818 28.025 28.738 0.176 0.000 0.916 276 Q HN 0.521 nan 8.270 nan 0.000 0.417 277 L N 0.348 121.568 121.223 -0.004 0.000 2.056 277 L HA -0.116 4.224 4.340 0.001 0.000 0.207 277 L C 1.853 178.676 176.870 -0.078 0.000 1.078 277 L CA 1.872 56.690 54.840 -0.037 0.000 0.749 277 L CB -0.598 41.436 42.059 -0.043 0.000 0.901 277 L HN 0.193 nan 8.230 nan 0.000 0.433 278 E N -0.334 119.790 120.200 -0.127 0.000 2.077 278 E HA -0.281 4.070 4.350 0.001 0.000 0.193 278 E C 2.062 178.536 176.600 -0.211 0.000 0.989 278 E CA 1.393 57.697 56.400 -0.159 0.000 0.800 278 E CB -0.298 29.302 29.700 -0.167 0.000 0.746 278 E HN 0.712 nan 8.360 nan 0.000 0.452 279 Q N -0.161 119.416 119.800 -0.372 0.000 2.079 279 Q HA -0.129 4.211 4.340 0.001 0.000 0.200 279 Q C 2.117 178.126 176.000 0.016 0.000 0.974 279 Q CA 1.232 56.871 55.803 -0.273 0.000 0.840 279 Q CB -0.045 28.401 28.738 -0.487 0.000 0.898 279 Q HN 0.105 nan 8.270 nan 0.000 0.430 280 M N 0.902 120.499 119.600 -0.004 0.000 2.213 280 M HA -0.123 4.358 4.480 0.001 0.000 0.263 280 M C 1.536 177.903 176.300 0.112 0.000 1.062 280 M CA 1.627 56.980 55.300 0.089 0.000 1.105 280 M CB 0.037 32.666 32.600 0.049 0.000 1.385 280 M HN 0.032 nan 8.290 nan 0.000 0.417 281 K N -0.708 119.713 120.400 0.035 0.000 2.211 281 K HA -0.069 4.252 4.320 0.001 0.000 0.204 281 K C 1.752 178.363 176.600 0.018 0.000 1.047 281 K CA 1.202 57.498 56.287 0.015 0.000 0.935 281 K CB -0.289 32.199 32.500 -0.021 0.000 0.728 281 K HN 0.453 nan 8.250 nan 0.000 0.452 282 A N -0.285 122.550 122.820 0.025 0.000 2.119 282 A HA -0.073 4.247 4.320 0.001 0.000 0.216 282 A C 1.275 178.764 177.584 -0.157 0.000 1.152 282 A CA 0.917 52.907 52.037 -0.078 0.000 0.708 282 A CB -0.184 18.735 19.000 -0.135 0.000 0.805 282 A HN 0.269 nan 8.150 nan 0.000 0.460 283 Y N -1.287 119.009 120.300 -0.007 0.000 2.498 283 Y HA 0.532 5.083 4.550 0.001 0.000 0.259 283 Y C 1.103 177.036 175.900 0.055 0.000 1.086 283 Y CA 0.277 58.399 58.100 0.036 0.000 1.287 283 Y CB 0.394 38.874 38.460 0.034 0.000 1.146 283 Y HN 0.266 nan 8.280 nan 0.000 0.523 284 A N -0.193 122.725 122.820 0.163 0.000 2.414 284 A HA 0.491 4.811 4.320 0.001 0.000 0.306 284 A C 0.468 178.084 177.584 0.054 0.000 1.054 284 A CA -0.558 51.541 52.037 0.103 0.000 0.724 284 A CB 1.242 20.294 19.000 0.087 0.000 1.267 284 A HN 0.096 nan 8.150 nan 0.000 0.418 285 E N 0.515 120.739 120.200 0.040 0.000 2.158 285 E HA -0.069 4.281 4.350 0.001 0.000 0.191 285 E C -0.484 176.130 176.600 0.024 0.000 0.982 285 E CA 0.961 57.375 56.400 0.024 0.000 0.823 285 E CB 0.322 30.032 29.700 0.018 0.000 0.766 285 E HN 0.656 nan 8.360 nan 0.000 0.468 286 D N 0.598 121.018 120.400 0.033 0.000 2.438 286 D HA 0.201 4.841 4.640 0.001 0.000 0.257 286 D C -1.544 174.787 176.300 0.051 0.000 1.148 286 D CA -0.478 53.547 54.000 0.041 0.000 0.902 286 D CB 0.662 41.490 40.800 0.047 0.000 1.062 286 D HN -0.210 nan 8.370 nan 0.000 0.518 287 V N 3.380 123.312 119.914 0.030 0.000 2.686 287 V HA 0.600 4.721 4.120 0.001 0.000 0.306 287 V C -1.337 174.744 176.094 -0.022 0.000 1.065 287 V CA -0.678 61.625 62.300 0.005 0.000 0.894 287 V CB 1.968 33.788 31.823 -0.004 0.000 1.004 287 V HN 0.511 nan 8.190 nan 0.000 0.424 288 E N 4.887 125.053 120.200 -0.058 0.000 2.222 288 E HA 0.821 5.171 4.350 0.001 0.000 0.267 288 E C -0.392 176.081 176.600 -0.213 0.000 0.884 288 E CA -0.800 55.529 56.400 -0.119 0.000 0.764 288 E CB 2.246 31.911 29.700 -0.059 0.000 1.169 288 E HN 0.877 nan 8.360 nan 0.000 0.413 289 G N 2.246 110.869 108.800 -0.295 0.000 2.481 289 G HA2 0.476 4.436 3.960 0.001 0.000 0.315 289 G HA3 0.476 4.436 3.960 0.001 0.000 0.315 289 G C -1.185 173.424 174.900 -0.485 0.000 1.231 289 G CA -0.522 44.418 45.100 -0.266 0.000 0.968 289 G HN 0.573 nan 8.290 nan 0.000 0.482 290 H N 0.061 119.113 119.070 -0.030 0.000 2.679 290 H HA 0.444 5.000 4.556 0.001 0.000 0.360 290 H C -1.152 174.173 175.328 -0.005 0.000 1.105 290 H CA -0.448 55.590 56.048 -0.017 0.000 1.196 290 H CB 2.536 32.284 29.762 -0.023 0.000 1.636 290 H HN 0.277 nan 8.280 nan 0.000 0.531 291 V N 4.412 124.392 119.914 0.110 0.000 2.384 291 V HA 0.141 4.262 4.120 0.001 0.000 0.287 291 V C -0.299 175.837 176.094 0.069 0.000 1.020 291 V CA -0.728 61.617 62.300 0.074 0.000 0.850 291 V CB 1.390 33.245 31.823 0.052 0.000 0.987 291 V HN 0.385 nan 8.190 nan 0.000 0.436 292 L N 8.788 130.041 121.223 0.051 0.000 2.260 292 L HA 0.472 4.812 4.340 0.001 0.000 0.289 292 L C -2.262 174.626 176.870 0.030 0.000 1.057 292 L CA -1.490 53.370 54.840 0.033 0.000 0.811 292 L CB 0.730 42.797 42.059 0.013 0.000 1.184 292 L HN 0.409 nan 8.230 nan 0.000 0.429 293 P HA 0.256 nan 4.420 nan 0.000 0.271 293 P C 0.785 178.102 177.300 0.027 0.000 1.218 293 P CA -0.012 63.105 63.100 0.028 0.000 0.780 293 P CB 0.918 32.633 31.700 0.025 0.000 0.901 294 G N 0.791 109.611 108.800 0.033 0.000 2.153 294 G HA2 -0.236 3.724 3.960 0.001 0.000 0.252 294 G HA3 -0.236 3.724 3.960 0.001 0.000 0.252 294 G C -0.108 174.819 174.900 0.046 0.000 0.994 294 G CA 0.049 45.171 45.100 0.037 0.000 0.698 294 G HN 0.691 nan 8.290 nan 0.000 0.521 295 c N -0.439 118.190 118.600 0.048 0.000 2.498 295 c HA 0.883 5.453 4.570 0.001 0.000 0.316 295 c C 1.324 175.455 174.090 0.067 0.000 1.209 295 c CA -0.192 56.172 56.329 0.058 0.000 1.518 295 c CB 1.306 43.834 42.510 0.032 0.000 2.147 295 c HN 0.697 nan 8.230 nan 0.000 0.483 296 G N 0.302 109.163 108.800 0.103 0.000 3.182 296 G HA2 0.200 4.160 3.960 0.001 0.000 0.167 296 G HA3 0.200 4.160 3.960 0.001 0.000 0.167 296 G C 0.745 175.661 174.900 0.028 0.000 1.537 296 G CA 0.373 45.527 45.100 0.090 0.000 1.046 296 G HN 0.848 nan 8.290 nan 0.000 0.580 297 H N -1.009 117.941 119.070 -0.200 0.000 2.436 297 H HA 0.044 4.600 4.556 0.001 0.000 0.294 297 H C 0.586 175.683 175.328 -0.385 0.000 1.048 297 H CA 0.542 56.317 56.048 -0.455 0.000 1.353 297 H CB -0.014 29.201 29.762 -0.912 0.000 1.414 297 H HN 0.384 nan 8.280 nan 0.000 0.536 298 W N 2.037 123.380 121.300 0.072 0.000 1.603 298 W HA 0.261 4.922 4.660 0.001 0.000 0.392 298 W C 0.616 177.102 176.519 -0.056 0.000 0.661 298 W CA -0.492 56.889 57.345 0.060 0.000 2.021 298 W CB -0.117 29.538 29.460 0.325 0.000 1.759 298 W HN 0.126 nan 8.180 nan 0.000 0.334 299 L N 1.927 123.083 121.223 -0.112 0.000 2.013 299 L HA -0.207 4.133 4.340 0.001 0.000 0.212 299 L C -0.126 176.679 176.870 -0.109 0.000 1.073 299 L CA 1.543 56.305 54.840 -0.130 0.000 0.753 299 L CB -1.844 40.084 42.059 -0.218 0.000 0.890 299 L HN 0.055 nan 8.230 nan 0.000 0.432 300 P HA -0.158 nan 4.420 nan 0.000 0.219 300 P C 1.154 178.366 177.300 -0.146 0.000 1.146 300 P CA 1.421 64.425 63.100 -0.160 0.000 0.808 300 P CB 0.139 31.665 31.700 -0.291 0.000 0.779 301 E N -1.161 118.972 120.200 -0.112 0.000 2.206 301 E HA -0.013 4.337 4.350 0.001 0.000 0.195 301 E C 1.917 178.410 176.600 -0.178 0.000 0.935 301 E CA 0.332 56.614 56.400 -0.196 0.000 0.875 301 E CB -0.214 29.291 29.700 -0.324 0.000 0.841 301 E HN 0.265 nan 8.360 nan 0.000 0.477 302 E N -0.458 119.706 120.200 -0.059 0.000 2.150 302 E HA -0.067 4.283 4.350 0.001 0.000 0.193 302 E C 0.129 176.712 176.600 -0.028 0.000 0.985 302 E CA 0.710 57.102 56.400 -0.013 0.000 0.814 302 E CB 0.240 30.010 29.700 0.117 0.000 0.752 302 E HN 0.171 nan 8.360 nan 0.000 0.466 303 c N 0.316 118.894 118.600 -0.036 0.000 3.370 303 c HA 0.472 5.042 4.570 0.001 0.000 0.190 303 c C 1.360 175.420 174.090 -0.051 0.000 1.647 303 c CA -0.821 55.486 56.329 -0.036 0.000 1.277 303 c CB -0.150 42.349 42.510 -0.019 0.000 2.037 303 c HN 0.390 nan 8.230 nan 0.000 0.537 304 A N 1.381 124.159 122.820 -0.069 0.000 1.883 304 A HA 0.030 4.350 4.320 0.001 0.000 0.217 304 A C 2.328 179.881 177.584 -0.052 0.000 1.186 304 A CA 2.373 54.365 52.037 -0.075 0.000 0.624 304 A CB -0.585 18.352 19.000 -0.105 0.000 0.822 304 A HN 0.828 nan 8.150 nan 0.000 0.444 305 A N 0.232 123.025 122.820 -0.044 0.000 1.851 305 A HA -0.077 4.244 4.320 0.001 0.000 0.216 305 A C 0.509 178.076 177.584 -0.028 0.000 1.195 305 A CA 1.924 53.942 52.037 -0.032 0.000 0.622 305 A CB -1.688 17.296 19.000 -0.027 0.000 0.831 305 A HN 0.515 nan 8.150 nan 0.000 0.444 306 P HA -0.141 nan 4.420 nan 0.000 0.217 306 P C 1.863 179.134 177.300 -0.048 0.000 1.151 306 P CA 1.325 64.402 63.100 -0.039 0.000 0.828 306 P CB -0.221 31.457 31.700 -0.036 0.000 0.788 307 M N 0.050 119.625 119.600 -0.041 0.000 2.086 307 M HA -0.164 4.316 4.480 0.001 0.000 0.261 307 M C 1.848 178.140 176.300 -0.013 0.000 1.067 307 M CA 1.944 57.223 55.300 -0.036 0.000 1.116 307 M CB -0.726 31.852 32.600 -0.036 0.000 1.348 307 M HN -0.086 nan 8.290 nan 0.000 0.407 308 N N -0.487 118.210 118.700 -0.005 0.000 2.069 308 N HA -0.247 4.493 4.740 0.001 0.000 0.191 308 N C 1.795 177.314 175.510 0.016 0.000 1.031 308 N CA 1.261 54.320 53.050 0.014 0.000 0.852 308 N CB -0.222 38.268 38.487 0.005 0.000 1.018 308 N HN 0.192 nan 8.380 nan 0.000 0.423 309 R N 1.786 122.285 120.500 -0.001 0.000 2.083 309 R HA -0.025 4.315 4.340 0.001 0.000 0.237 309 R C 1.970 178.269 176.300 -0.001 0.000 1.137 309 R CA 1.300 57.401 56.100 0.001 0.000 0.951 309 R CB -0.914 29.378 30.300 -0.013 0.000 0.851 309 R HN 0.238 nan 8.270 nan 0.000 0.434 310 L N -0.449 120.751 121.223 -0.040 0.000 2.042 310 L HA -0.171 4.169 4.340 0.001 0.000 0.210 310 L C 2.368 179.250 176.870 0.020 0.000 1.076 310 L CA 1.258 56.056 54.840 -0.070 0.000 0.749 310 L CB -0.442 41.506 42.059 -0.186 0.000 0.893 310 L HN 0.043 nan 8.230 nan 0.000 0.432 311 V N -0.047 119.884 119.914 0.028 0.000 2.307 311 V HA -0.266 3.854 4.120 0.001 0.000 0.245 311 V C 2.276 178.430 176.094 0.100 0.000 1.045 311 V CA 1.752 64.091 62.300 0.065 0.000 1.024 311 V CB -0.256 31.587 31.823 0.033 0.000 0.651 311 V HN 0.296 nan 8.190 nan 0.000 0.449 312 I N 0.203 120.823 120.570 0.083 0.000 2.179 312 I HA -0.241 3.929 4.170 0.001 0.000 0.242 312 I C 2.274 178.472 176.117 0.134 0.000 1.088 312 I CA 1.648 63.017 61.300 0.114 0.000 1.357 312 I CB -0.506 37.556 38.000 0.103 0.000 1.051 312 I HN 0.310 nan 8.210 nan 0.000 0.409 313 D N 0.505 120.972 120.400 0.112 0.000 2.117 313 D HA -0.206 4.434 4.640 0.001 0.000 0.197 313 D C 1.927 178.308 176.300 0.136 0.000 0.987 313 D CA 1.301 55.365 54.000 0.107 0.000 0.829 313 D CB -0.360 40.490 40.800 0.083 0.000 0.961 313 D HN 0.251 nan 8.370 nan 0.000 0.460 314 F N 1.103 121.069 119.950 0.025 0.000 2.146 314 F HA -0.056 4.471 4.527 0.000 0.000 0.298 314 F C 2.067 177.883 175.800 0.027 0.000 1.096 314 F CA 1.044 59.059 58.000 0.026 0.000 1.275 314 F CB -0.155 38.855 39.000 0.017 0.000 1.008 314 F HN -0.115 nan 8.300 nan 0.000 0.480 315 L N -0.911 120.351 121.223 0.065 0.000 2.217 315 L HA -0.124 4.216 4.340 0.001 0.000 0.211 315 L C 2.090 179.039 176.870 0.133 0.000 1.107 315 L CA 0.964 55.779 54.840 -0.041 0.000 0.783 315 L CB -0.703 41.242 42.059 -0.190 0.000 0.919 315 L HN 0.024 nan 8.230 nan 0.000 0.442 316 S N -0.894 114.907 115.700 0.169 0.000 2.603 316 S HA 0.086 4.557 4.470 0.001 0.000 0.220 316 S C 1.022 175.647 174.600 0.042 0.000 0.967 316 S CA -0.018 58.288 58.200 0.177 0.000 0.920 316 S CB -0.085 63.197 63.200 0.136 0.000 0.773 316 S HN 0.298 nan 8.310 nan 0.000 0.529 317 R N 0.000 120.475 120.500 -0.042 0.000 2.786 317 R HA 0.000 4.340 4.340 0.001 0.000 0.208 317 R CA 0.000 56.051 56.100 -0.082 0.000 0.921 317 R CB 0.000 30.194 30.300 -0.177 0.000 0.687 317 R HN 0.000 nan 8.270 nan 0.000 0.535