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 1vpk_1_A DATA FIRST_RESID 0 DATA SEQUENCE HMKVTVTTLE LKDKITIASK ALAKKSVKPI LAGFLFEVKD GNFYICATDL DATA SEQUENCE ETGVKATVNA AEISGEARFV VPGDVIQKMV KVLPDEITEL SLEGDALVIS DATA SEQUENCE SGSTVFRITT MPADEFPEIT PAESGITFEV DTSLLEEMVE KVIFAAAKDE DATA SEQUENCE FMRNLNGVFW ELHKNLLRLV ASDGFRLALA EEQIENEEEA SFLLSLKSMK DATA SEQUENCE EVQNVLDNTT EPTITVRYDG RRVSLSTNDV ETVMRVVDAE FPDYKRVIPE DATA SEQUENCE TFKTKVVVSR KELRESLKRV MVIASKGSES VKFEIEENVM RLVSKSPDYG DATA SEQUENCE EVVDEVEVQK EGEDLVIAFN PKFIEDVLKH IETEEIEMNF VDSTSPCQIN DATA SEQUENCE PLDISGYLYI VMPIRLA 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.327 175.328 -0.002 0.000 0.993 0 H CA 0.000 56.044 56.048 -0.008 0.000 1.023 0 H CB 0.000 29.759 29.762 -0.005 0.000 1.292 1 M N 3.164 122.836 119.600 0.121 0.000 2.277 1 M HA 0.527 5.007 4.480 -0.000 0.000 0.282 1 M C -2.168 174.145 176.300 0.021 0.000 1.074 1 M CA -0.366 54.981 55.300 0.078 0.000 0.954 1 M CB 2.057 34.707 32.600 0.082 0.000 1.672 1 M HN 0.790 nan 8.290 nan 0.000 0.471 2 K N 3.734 124.128 120.400 -0.010 0.000 2.482 2 K HA 0.765 5.085 4.320 -0.000 0.000 0.251 2 K C -1.656 174.897 176.600 -0.079 0.000 0.936 2 K CA -0.852 55.415 56.287 -0.033 0.000 0.791 2 K CB 3.176 35.668 32.500 -0.014 0.000 1.213 2 K HN 0.495 nan 8.250 nan 0.000 0.428 3 V N 1.821 121.673 119.914 -0.103 0.000 2.638 3 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 3 V C -0.700 175.360 176.094 -0.057 0.000 1.052 3 V CA -0.761 61.461 62.300 -0.130 0.000 0.885 3 V CB 2.177 33.807 31.823 -0.321 0.000 0.999 3 V HN 0.789 nan 8.190 nan 0.000 0.424 4 T N 4.178 118.715 114.554 -0.029 0.000 2.770 4 T HA 0.680 5.030 4.350 -0.000 0.000 0.283 4 T C -0.690 174.018 174.700 0.013 0.000 0.988 4 T CA -0.367 61.731 62.100 -0.003 0.000 0.957 4 T CB 1.561 70.427 68.868 -0.003 0.000 0.930 4 T HN 0.540 nan 8.240 nan 0.000 0.443 5 V N 3.618 123.548 119.914 0.028 0.000 3.049 5 V HA 0.715 4.835 4.120 -0.000 0.000 0.309 5 V C -0.029 176.081 176.094 0.027 0.000 1.148 5 V CA -0.815 61.508 62.300 0.038 0.000 0.990 5 V CB 2.510 34.382 31.823 0.081 0.000 1.039 5 V HN 1.054 nan 8.190 nan 0.000 0.430 6 T N 1.524 116.087 114.554 0.015 0.000 2.918 6 T HA 0.171 4.521 4.350 -0.000 0.000 0.302 6 T C 1.048 175.755 174.700 0.012 0.000 1.045 6 T CA 0.601 62.708 62.100 0.011 0.000 1.114 6 T CB 1.015 69.884 68.868 0.002 0.000 0.965 6 T HN 0.817 nan 8.240 nan 0.000 0.540 7 T N 1.949 116.513 114.554 0.015 0.000 2.821 7 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 7 T C 1.823 176.524 174.700 0.002 0.000 1.046 7 T CA 0.982 63.092 62.100 0.016 0.000 1.139 7 T CB -0.377 68.505 68.868 0.024 0.000 0.871 7 T HN 0.489 nan 8.240 nan 0.000 0.454 8 L N 1.592 122.814 121.223 -0.002 0.000 2.042 8 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 8 L C 2.412 179.267 176.870 -0.025 0.000 1.076 8 L CA 1.918 56.752 54.840 -0.010 0.000 0.749 8 L CB -0.639 41.416 42.059 -0.007 0.000 0.893 8 L HN 0.146 nan 8.230 nan 0.000 0.432 9 E N -0.590 119.593 120.200 -0.028 0.000 2.051 9 E HA -0.249 4.101 4.350 -0.000 0.000 0.192 9 E C 2.086 178.640 176.600 -0.077 0.000 0.991 9 E CA 1.733 58.103 56.400 -0.050 0.000 0.799 9 E CB -0.613 29.059 29.700 -0.045 0.000 0.748 9 E HN 0.391 nan 8.360 nan 0.000 0.449 10 L N 1.076 122.265 121.223 -0.057 0.000 2.012 10 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 10 L C 2.344 179.156 176.870 -0.097 0.000 1.073 10 L CA 2.211 57.004 54.840 -0.078 0.000 0.748 10 L CB -0.664 41.392 42.059 -0.004 0.000 0.891 10 L HN 0.132 nan 8.230 nan 0.000 0.431 11 K N -0.639 119.726 120.400 -0.058 0.000 2.032 11 K HA -0.285 4.035 4.320 -0.000 0.000 0.209 11 K C 1.966 178.528 176.600 -0.064 0.000 1.048 11 K CA 2.122 58.377 56.287 -0.054 0.000 0.927 11 K CB -0.367 32.117 32.500 -0.026 0.000 0.712 11 K HN 0.524 nan 8.250 nan 0.000 0.441 12 D N 0.054 120.418 120.400 -0.060 0.000 2.104 12 D HA -0.176 4.464 4.640 -0.000 0.000 0.194 12 D C 1.675 177.926 176.300 -0.081 0.000 0.994 12 D CA 1.463 55.430 54.000 -0.056 0.000 0.830 12 D CB 0.216 40.986 40.800 -0.050 0.000 0.959 12 D HN 0.072 nan 8.370 nan 0.000 0.452 13 K N 0.168 120.491 120.400 -0.129 0.000 2.103 13 K HA -0.050 4.270 4.320 -0.000 0.000 0.204 13 K C 2.205 178.683 176.600 -0.204 0.000 1.052 13 K CA 0.329 56.511 56.287 -0.174 0.000 0.945 13 K CB -0.239 32.105 32.500 -0.260 0.000 0.722 13 K HN 0.339 nan 8.250 nan 0.000 0.443 14 I N 1.483 121.898 120.570 -0.258 0.000 2.179 14 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 14 I C 2.089 178.135 176.117 -0.119 0.000 1.088 14 I CA 1.497 62.576 61.300 -0.368 0.000 1.357 14 I CB -1.391 36.384 38.000 -0.375 0.000 1.051 14 I HN 0.149 nan 8.210 nan 0.000 0.409 15 T N 1.522 116.047 114.554 -0.049 0.000 2.720 15 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 15 T C 2.073 176.803 174.700 0.051 0.000 1.037 15 T CA 1.336 63.452 62.100 0.026 0.000 1.144 15 T CB -0.287 68.587 68.868 0.009 0.000 0.864 15 T HN 0.219 nan 8.240 nan 0.000 0.444 16 I N 1.188 121.768 120.570 0.017 0.000 2.226 16 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 16 I C 2.791 178.950 176.117 0.071 0.000 1.100 16 I CA 1.174 62.491 61.300 0.030 0.000 1.374 16 I CB -0.360 37.638 38.000 -0.004 0.000 1.057 16 I HN 0.194 nan 8.210 nan 0.000 0.413 17 A N 0.344 123.227 122.820 0.104 0.000 2.119 17 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 17 A C 2.417 180.182 177.584 0.301 0.000 1.153 17 A CA 1.459 53.622 52.037 0.210 0.000 0.692 17 A CB -0.627 18.539 19.000 0.277 0.000 0.799 17 A HN 0.528 nan 8.150 nan 0.000 0.458 18 S N 0.211 116.102 115.700 0.320 0.000 2.419 18 S HA -0.126 4.344 4.470 -0.000 0.000 0.233 18 S C 1.514 176.189 174.600 0.125 0.000 1.016 18 S CA 1.371 59.755 58.200 0.307 0.000 0.974 18 S CB -0.309 63.070 63.200 0.299 0.000 0.786 18 S HN 0.589 nan 8.310 nan 0.000 0.492 19 K N 0.957 121.418 120.400 0.102 0.000 2.458 19 K HA 0.352 4.672 4.320 -0.000 0.000 0.194 19 K C 1.464 178.092 176.600 0.046 0.000 1.024 19 K CA 0.491 56.817 56.287 0.065 0.000 1.108 19 K CB 0.037 32.576 32.500 0.065 0.000 0.846 19 K HN 0.510 nan 8.250 nan 0.000 0.518 20 A N 0.821 123.671 122.820 0.049 0.000 2.308 20 A HA 0.171 4.491 4.320 -0.000 0.000 0.217 20 A C 0.724 178.308 177.584 -0.001 0.000 1.216 20 A CA -0.177 51.879 52.037 0.031 0.000 0.864 20 A CB 0.024 19.054 19.000 0.050 0.000 0.902 20 A HN 0.117 nan 8.150 nan 0.000 0.499 21 L N 0.534 121.736 121.223 -0.035 0.000 2.461 21 L HA 0.344 4.684 4.340 -0.000 0.000 0.272 21 L C 0.985 177.824 176.870 -0.052 0.000 1.197 21 L CA -0.421 54.365 54.840 -0.090 0.000 0.836 21 L CB 0.632 42.580 42.059 -0.185 0.000 1.105 21 L HN 0.303 nan 8.230 nan 0.000 0.477 22 A N 2.474 125.263 122.820 -0.053 0.000 2.313 22 A HA 0.361 4.681 4.320 -0.000 0.000 0.261 22 A C -0.014 177.552 177.584 -0.030 0.000 1.090 22 A CA -0.598 51.417 52.037 -0.037 0.000 0.807 22 A CB 0.360 19.336 19.000 -0.040 0.000 1.055 22 A HN 0.559 nan 8.150 nan 0.000 0.492 23 K N 1.866 122.257 120.400 -0.015 0.000 2.295 23 K HA 0.105 4.425 4.320 -0.000 0.000 0.270 23 K C 1.398 177.994 176.600 -0.008 0.000 1.011 23 K CA -0.115 56.168 56.287 -0.007 0.000 0.953 23 K CB 0.962 33.464 32.500 0.004 0.000 0.956 23 K HN 0.919 nan 8.250 nan 0.000 0.477 24 K N -0.196 120.201 120.400 -0.004 0.000 2.347 24 K HA -0.304 4.016 4.320 -0.000 0.000 0.209 24 K C 0.835 177.437 176.600 0.003 0.000 1.020 24 K CA 2.530 58.817 56.287 0.001 0.000 0.924 24 K CB -0.915 31.588 32.500 0.006 0.000 0.863 24 K HN 0.461 nan 8.250 nan 0.000 0.495 25 S N -0.392 115.310 115.700 0.003 0.000 2.593 25 S HA 0.513 4.983 4.470 -0.000 0.000 0.297 25 S C -0.078 174.522 174.600 0.000 0.000 1.112 25 S CA 0.126 58.329 58.200 0.004 0.000 1.043 25 S CB 1.252 64.456 63.200 0.008 0.000 1.054 25 S HN 1.350 nan 8.310 nan 0.000 0.516 26 V N 2.114 122.028 119.914 -0.000 0.000 3.964 26 V HA -0.081 4.039 4.120 -0.000 0.000 0.444 26 V C 0.236 176.323 176.094 -0.012 0.000 0.680 26 V CA 1.132 63.429 62.300 -0.006 0.000 1.854 26 V CB -2.269 29.549 31.823 -0.007 0.000 2.264 26 V HN 1.210 nan 8.190 nan 0.000 0.491 27 K N 2.772 123.166 120.400 -0.009 0.000 5.393 27 K HA -0.154 4.166 4.320 -0.000 0.000 0.381 27 K C -1.313 175.286 176.600 -0.001 0.000 1.015 27 K CA 0.418 56.700 56.287 -0.008 0.000 1.190 27 K CB -0.498 31.985 32.500 -0.028 0.000 1.752 27 K HN 0.746 nan 8.250 nan 0.000 0.409 28 P HA -0.212 nan 4.420 nan 0.000 0.217 28 P C 1.367 178.683 177.300 0.028 0.000 1.148 28 P CA 1.087 64.195 63.100 0.013 0.000 0.834 28 P CB 0.111 31.821 31.700 0.017 0.000 0.783 29 I N -1.009 119.588 120.570 0.045 0.000 2.194 29 I HA -0.239 3.931 4.170 -0.000 0.000 0.246 29 I C 1.654 177.845 176.117 0.124 0.000 1.093 29 I CA 1.625 62.980 61.300 0.092 0.000 1.355 29 I CB -0.257 37.804 38.000 0.103 0.000 1.046 29 I HN -0.147 nan 8.210 nan 0.000 0.413 30 L N 0.570 121.819 121.223 0.043 0.000 2.610 30 L HA 0.053 4.393 4.340 -0.000 0.000 0.232 30 L C 2.179 179.045 176.870 -0.007 0.000 1.149 30 L CA 0.541 55.386 54.840 0.007 0.000 0.872 30 L CB -0.654 41.354 42.059 -0.085 0.000 0.992 30 L HN 0.309 nan 8.230 nan 0.000 0.447 31 A N 0.016 122.827 122.820 -0.015 0.000 2.275 31 A HA 0.389 4.709 4.320 -0.000 0.000 0.212 31 A C 1.081 178.598 177.584 -0.112 0.000 1.201 31 A CA 0.354 52.354 52.037 -0.061 0.000 0.843 31 A CB -0.273 18.706 19.000 -0.035 0.000 0.873 31 A HN 0.315 nan 8.150 nan 0.000 0.492 32 G N -1.328 107.435 108.800 -0.060 0.000 2.489 32 G HA2 0.542 4.502 3.960 -0.000 0.000 0.327 32 G HA3 0.542 4.502 3.960 -0.000 0.000 0.327 32 G C -0.824 174.001 174.900 -0.126 0.000 1.189 32 G CA -0.731 44.313 45.100 -0.093 0.000 0.962 32 G HN 0.060 nan 8.290 nan 0.000 0.486 33 F N -0.125 119.873 119.950 0.080 0.000 2.410 33 F HA 0.335 4.862 4.527 -0.000 0.000 0.348 33 F C 0.538 176.285 175.800 -0.089 0.000 1.106 33 F CA -0.609 57.438 58.000 0.078 0.000 1.163 33 F CB 1.646 40.799 39.000 0.255 0.000 1.129 33 F HN 0.204 nan 8.300 nan 0.000 0.516 34 L N 4.695 125.792 121.223 -0.210 0.000 2.361 34 L HA 0.336 4.676 4.340 -0.000 0.000 0.278 34 L C -1.200 175.679 176.870 0.015 0.000 1.113 34 L CA 0.178 54.745 54.840 -0.456 0.000 0.849 34 L CB -0.397 40.985 42.059 -1.129 0.000 1.155 34 L HN 0.277 nan 8.230 nan 0.000 0.452 35 F N 4.155 123.822 119.950 -0.472 0.000 2.411 35 F HA 0.495 5.022 4.527 -0.000 0.000 0.352 35 F C 0.236 175.789 175.800 -0.411 0.000 1.123 35 F CA -0.782 56.988 58.000 -0.383 0.000 1.044 35 F CB 1.209 39.842 39.000 -0.612 0.000 1.135 35 F HN 0.508 nan 8.300 nan 0.000 0.461 36 E N 2.729 122.981 120.200 0.087 0.000 2.246 36 E HA 0.615 4.965 4.350 -0.000 0.000 0.266 36 E C -1.893 174.854 176.600 0.244 0.000 0.880 36 E CA -0.516 55.957 56.400 0.121 0.000 0.762 36 E CB 1.958 31.744 29.700 0.143 0.000 1.180 36 E HN 0.378 nan 8.360 nan 0.000 0.416 37 V N 4.384 124.394 119.914 0.161 0.000 2.409 37 V HA 0.512 4.632 4.120 -0.000 0.000 0.291 37 V C -0.628 175.530 176.094 0.107 0.000 1.020 37 V CA -0.632 61.733 62.300 0.109 0.000 0.848 37 V CB 1.534 33.364 31.823 0.011 0.000 0.990 37 V HN 0.573 nan 8.190 nan 0.000 0.430 38 K N 3.320 123.778 120.400 0.098 0.000 2.565 38 K HA 0.465 4.784 4.320 -0.000 0.000 0.251 38 K C -0.689 175.949 176.600 0.064 0.000 0.956 38 K CA -0.298 56.046 56.287 0.095 0.000 0.809 38 K CB 1.180 33.762 32.500 0.136 0.000 1.267 38 K HN 0.520 nan 8.250 nan 0.000 0.438 39 D N 3.738 124.162 120.400 0.038 0.000 2.689 39 D HA -0.171 4.469 4.640 -0.000 0.000 0.237 39 D C 0.542 176.845 176.300 0.006 0.000 1.148 39 D CA 2.067 56.081 54.000 0.023 0.000 0.656 39 D CB -1.196 39.627 40.800 0.039 0.000 1.050 39 D HN 1.131 nan 8.370 nan 0.000 0.426 40 G N -0.197 108.597 108.800 -0.010 0.000 2.168 40 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 40 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 40 G C 0.048 174.918 174.900 -0.050 0.000 0.997 40 G CA 0.373 45.457 45.100 -0.027 0.000 0.708 40 G HN 0.529 nan 8.290 nan 0.000 0.520 41 N N -0.478 118.177 118.700 -0.075 0.000 2.269 41 N HA 0.625 5.365 4.740 -0.000 0.000 0.304 41 N C -1.600 173.767 175.510 -0.237 0.000 1.072 41 N CA -0.493 52.420 53.050 -0.228 0.000 0.802 41 N CB 1.946 40.259 38.487 -0.289 0.000 1.348 41 N HN 0.125 nan 8.380 nan 0.000 0.484 42 F N 3.012 122.636 119.950 -0.545 0.000 2.499 42 F HA 0.466 4.993 4.527 0.000 0.000 0.333 42 F C -1.662 173.779 175.800 -0.599 0.000 1.138 42 F CA -1.255 56.485 58.000 -0.433 0.000 0.945 42 F CB 0.255 39.091 39.000 -0.273 0.000 1.181 42 F HN 0.331 nan 8.300 nan 0.000 0.435 43 Y N 6.085 126.288 120.300 -0.162 0.000 2.409 43 Y HA 0.639 5.189 4.550 -0.000 0.000 0.339 43 Y C -0.210 175.382 175.900 -0.514 0.000 1.033 43 Y CA -1.146 56.742 58.100 -0.355 0.000 1.094 43 Y CB 1.726 40.092 38.460 -0.156 0.000 1.210 43 Y HN 0.380 nan 8.280 nan 0.000 0.456 44 I N 3.210 123.520 120.570 -0.433 0.000 2.378 44 I HA 0.464 4.634 4.170 -0.000 0.000 0.291 44 I C -0.884 175.182 176.117 -0.084 0.000 0.992 44 I CA -0.329 60.746 61.300 -0.375 0.000 1.154 44 I CB 0.922 38.552 38.000 -0.617 0.000 1.315 44 I HN 0.575 nan 8.210 nan 0.000 0.448 45 C N 4.747 124.064 119.300 0.029 0.000 2.667 45 C HA 0.975 5.435 4.460 -0.000 0.000 0.323 45 C C 0.069 175.236 174.990 0.294 0.000 1.214 45 C CA -0.527 58.568 59.018 0.128 0.000 1.721 45 C CB 1.423 29.227 27.740 0.107 0.000 2.275 45 C HN 0.847 nan 8.230 nan 0.000 0.491 46 A N 1.002 124.023 122.820 0.334 0.000 2.549 46 A HA 0.908 5.228 4.320 -0.000 0.000 0.297 46 A C -0.775 176.942 177.584 0.222 0.000 1.061 46 A CA -0.251 51.978 52.037 0.321 0.000 0.690 46 A CB 1.880 20.982 19.000 0.170 0.000 1.287 46 A HN 0.897 nan 8.150 nan 0.000 0.402 47 T N -0.199 114.424 114.554 0.114 0.000 2.889 47 T HA 0.515 4.865 4.350 -0.000 0.000 0.315 47 T C -1.390 173.254 174.700 -0.093 0.000 1.291 47 T CA 0.214 62.289 62.100 -0.042 0.000 1.028 47 T CB 1.479 70.256 68.868 -0.152 0.000 1.235 47 T HN 0.855 nan 8.240 nan 0.000 0.491 48 D N 2.848 123.201 120.400 -0.077 0.000 2.501 48 D HA 0.273 4.913 4.640 -0.000 0.000 0.224 48 D C 1.526 177.775 176.300 -0.085 0.000 1.202 48 D CA -0.199 53.755 54.000 -0.077 0.000 0.829 48 D CB -0.422 40.352 40.800 -0.042 0.000 1.023 48 D HN 0.607 nan 8.370 nan 0.000 0.499 49 L N -1.169 119.988 121.223 -0.110 0.000 4.982 49 L HA -0.316 4.024 4.340 -0.000 0.000 0.402 49 L C 1.486 178.315 176.870 -0.068 0.000 0.863 49 L CA 1.714 56.494 54.840 -0.099 0.000 1.876 49 L CB -1.284 40.720 42.059 -0.092 0.000 1.554 49 L HN 0.365 nan 8.230 nan 0.000 0.603 50 E N 0.020 120.188 120.200 -0.053 0.000 2.256 50 E HA 0.072 4.422 4.350 -0.000 0.000 0.198 50 E C 0.356 176.931 176.600 -0.041 0.000 0.908 50 E CA 0.981 57.357 56.400 -0.040 0.000 0.915 50 E CB 0.618 30.303 29.700 -0.024 0.000 0.890 50 E HN 0.360 nan 8.360 nan 0.000 0.484 51 T N 0.285 114.818 114.554 -0.034 0.000 2.823 51 T HA 0.655 5.005 4.350 -0.000 0.000 0.279 51 T C -0.342 174.341 174.700 -0.027 0.000 0.998 51 T CA -0.408 61.675 62.100 -0.028 0.000 0.994 51 T CB 1.620 70.483 68.868 -0.008 0.000 0.960 51 T HN 0.227 nan 8.240 nan 0.000 0.448 52 G N 0.950 109.736 108.800 -0.024 0.000 2.617 52 G HA2 0.630 4.590 3.960 -0.000 0.000 0.306 52 G HA3 0.630 4.590 3.960 -0.000 0.000 0.306 52 G C -1.480 173.428 174.900 0.013 0.000 1.360 52 G CA -0.550 44.548 45.100 -0.003 0.000 0.983 52 G HN 0.686 nan 8.290 nan 0.000 0.496 53 V N 1.467 121.411 119.914 0.051 0.000 2.588 53 V HA 0.563 4.683 4.120 -0.000 0.000 0.304 53 V C -0.263 175.862 176.094 0.052 0.000 1.042 53 V CA -0.942 61.385 62.300 0.044 0.000 0.877 53 V CB 1.974 33.837 31.823 0.066 0.000 0.996 53 V HN 0.749 nan 8.190 nan 0.000 0.425 54 K N 3.487 123.894 120.400 0.011 0.000 2.507 54 K HA 0.776 5.096 4.320 -0.000 0.000 0.253 54 K C -0.606 175.992 176.600 -0.004 0.000 0.969 54 K CA -0.387 55.895 56.287 -0.008 0.000 0.908 54 K CB 1.462 33.922 32.500 -0.066 0.000 1.127 54 K HN 0.855 nan 8.250 nan 0.000 0.437 55 A N 3.251 126.063 122.820 -0.013 0.000 2.260 55 A HA 0.379 4.699 4.320 -0.000 0.000 0.314 55 A C -0.409 177.139 177.584 -0.059 0.000 1.257 55 A CA -0.507 51.497 52.037 -0.054 0.000 0.871 55 A CB 0.952 19.883 19.000 -0.115 0.000 1.166 55 A HN 0.648 nan 8.150 nan 0.000 0.522 56 T N 2.568 117.105 114.554 -0.029 0.000 2.749 56 T HA 0.387 4.737 4.350 -0.000 0.000 0.295 56 T C 0.142 174.698 174.700 -0.240 0.000 0.936 56 T CA -0.054 61.984 62.100 -0.103 0.000 1.060 56 T CB 0.562 69.425 68.868 -0.008 0.000 0.904 56 T HN 0.391 nan 8.240 nan 0.000 0.500 57 V N 5.237 124.906 119.914 -0.408 0.000 2.406 57 V HA 0.228 4.348 4.120 -0.000 0.000 0.272 57 V C 0.479 176.452 176.094 -0.201 0.000 1.043 57 V CA -1.033 61.035 62.300 -0.386 0.000 0.915 57 V CB 0.713 32.098 31.823 -0.730 0.000 0.988 57 V HN 0.762 nan 8.190 nan 0.000 0.466 58 N N 4.430 123.053 118.700 -0.129 0.000 2.482 58 N HA 0.458 5.198 4.740 -0.000 0.000 0.242 58 N C 0.039 175.528 175.510 -0.034 0.000 1.100 58 N CA 0.070 53.076 53.050 -0.072 0.000 0.946 58 N CB 1.583 40.034 38.487 -0.061 0.000 1.227 58 N HN 0.837 nan 8.380 nan 0.000 0.508 59 A N 0.874 123.691 122.820 -0.005 0.000 2.281 59 A HA 0.747 5.067 4.320 -0.000 0.000 0.329 59 A C 0.940 178.525 177.584 0.002 0.000 1.122 59 A CA -0.399 51.653 52.037 0.023 0.000 0.850 59 A CB 0.877 19.921 19.000 0.073 0.000 1.207 59 A HN 0.510 nan 8.150 nan 0.000 0.495 60 A N -0.121 122.701 122.820 0.003 0.000 1.943 60 A HA 0.306 4.626 4.320 -0.000 0.000 0.213 60 A C 0.587 178.166 177.584 -0.009 0.000 1.181 60 A CA 0.934 52.968 52.037 -0.005 0.000 0.653 60 A CB -0.082 18.917 19.000 -0.002 0.000 0.833 60 A HN 0.783 nan 8.150 nan 0.000 0.451 61 E N -1.017 119.177 120.200 -0.010 0.000 2.275 61 E HA 0.650 5.000 4.350 -0.000 0.000 0.270 61 E C -1.743 174.839 176.600 -0.030 0.000 0.882 61 E CA -0.237 56.151 56.400 -0.019 0.000 0.758 61 E CB 2.244 31.933 29.700 -0.018 0.000 1.195 61 E HN 0.302 nan 8.360 nan 0.000 0.419 62 I N 2.483 123.032 120.570 -0.036 0.000 2.529 62 I HA 0.253 4.423 4.170 -0.000 0.000 0.284 62 I C -0.712 175.377 176.117 -0.047 0.000 1.088 62 I CA -0.437 60.832 61.300 -0.053 0.000 1.062 62 I CB 1.678 39.653 38.000 -0.043 0.000 1.218 62 I HN 0.460 nan 8.210 nan 0.000 0.442 63 S N 3.664 119.334 115.700 -0.049 0.000 2.599 63 S HA 0.996 5.466 4.470 -0.000 0.000 0.294 63 S C 0.025 174.605 174.600 -0.033 0.000 1.094 63 S CA -0.282 57.889 58.200 -0.048 0.000 0.931 63 S CB 2.169 65.339 63.200 -0.049 0.000 1.093 63 S HN 1.277 nan 8.310 nan 0.000 0.488 64 G N 0.422 109.187 108.800 -0.058 0.000 2.681 64 G HA2 0.028 3.988 3.960 -0.000 0.000 0.220 64 G HA3 0.028 3.988 3.960 -0.000 0.000 0.220 64 G C -0.784 174.156 174.900 0.066 0.000 1.353 64 G CA 0.014 45.117 45.100 0.005 0.000 0.872 64 G HN 1.137 nan 8.290 nan 0.000 0.557 65 E N -0.717 119.585 120.200 0.170 0.000 2.290 65 E HA 0.664 5.014 4.350 -0.000 0.000 0.274 65 E C -0.297 176.402 176.600 0.166 0.000 0.889 65 E CA -0.227 56.260 56.400 0.144 0.000 0.760 65 E CB 1.469 31.253 29.700 0.140 0.000 1.206 65 E HN 1.868 nan 8.360 nan 0.000 0.419 66 A N 4.066 126.988 122.820 0.170 0.000 2.612 66 A HA 0.780 5.100 4.320 -0.000 0.000 0.293 66 A C -1.469 176.243 177.584 0.212 0.000 1.075 66 A CA -0.711 51.470 52.037 0.240 0.000 0.680 66 A CB 2.001 21.221 19.000 0.368 0.000 1.279 66 A HN 0.554 nan 8.150 nan 0.000 0.411 67 R N 0.791 121.435 120.500 0.241 0.000 2.512 67 R HA 0.639 4.979 4.340 -0.000 0.000 0.291 67 R C -1.782 174.620 176.300 0.171 0.000 1.097 67 R CA -0.351 55.804 56.100 0.092 0.000 0.940 67 R CB 0.935 31.282 30.300 0.078 0.000 1.198 67 R HN 1.153 nan 8.270 nan 0.000 0.429 68 F N 0.665 120.647 119.950 0.053 0.000 2.741 68 F HA 0.684 5.211 4.527 -0.000 0.000 0.313 68 F C -1.809 173.980 175.800 -0.019 0.000 1.153 68 F CA -1.159 56.849 58.000 0.014 0.000 0.931 68 F CB 0.976 39.975 39.000 -0.001 0.000 1.335 68 F HN -0.028 nan 8.300 nan 0.000 0.460 69 V N 2.071 122.082 119.914 0.162 0.000 2.628 69 V HA 0.786 4.906 4.120 -0.000 0.000 0.306 69 V C -0.521 175.651 176.094 0.130 0.000 1.045 69 V CA -0.749 61.579 62.300 0.046 0.000 0.905 69 V CB 1.672 33.530 31.823 0.058 0.000 0.997 69 V HN 0.919 nan 8.190 nan 0.000 0.436 70 V N 2.215 122.151 119.914 0.036 0.000 2.769 70 V HA 0.715 4.835 4.120 -0.000 0.000 0.312 70 V C -2.721 173.407 176.094 0.057 0.000 1.061 70 V CA -2.862 59.448 62.300 0.017 0.000 0.931 70 V CB 1.815 33.552 31.823 -0.142 0.000 1.010 70 V HN 0.693 nan 8.190 nan 0.000 0.433 71 P HA 0.190 nan 4.420 nan 0.000 0.268 71 P C 0.935 178.277 177.300 0.069 0.000 1.204 71 P CA 0.445 63.568 63.100 0.037 0.000 0.768 71 P CB 1.150 32.869 31.700 0.030 0.000 0.842 72 G N 2.543 111.332 108.800 -0.018 0.000 2.402 72 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.216 72 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.216 72 G C 1.217 176.185 174.900 0.113 0.000 1.162 72 G CA 0.742 45.801 45.100 -0.067 0.000 0.777 72 G HN 0.461 nan 8.290 nan 0.000 0.539 73 D N -0.118 120.313 120.400 0.052 0.000 2.084 73 D HA -0.102 4.538 4.640 -0.000 0.000 0.196 73 D C 2.677 179.019 176.300 0.071 0.000 0.985 73 D CA 1.027 55.065 54.000 0.064 0.000 0.826 73 D CB -0.154 40.669 40.800 0.038 0.000 0.978 73 D HN 0.099 nan 8.370 nan 0.000 0.456 74 V N 0.942 120.888 119.914 0.054 0.000 2.332 74 V HA -0.226 3.894 4.120 -0.000 0.000 0.248 74 V C 2.427 178.513 176.094 -0.013 0.000 1.055 74 V CA 1.057 63.371 62.300 0.024 0.000 1.038 74 V CB -0.399 31.438 31.823 0.024 0.000 0.651 74 V HN 0.359 nan 8.190 nan 0.000 0.450 75 I N -0.385 120.217 120.570 0.054 0.000 2.252 75 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 75 I C 2.567 178.707 176.117 0.040 0.000 1.102 75 I CA 1.548 62.872 61.300 0.041 0.000 1.385 75 I CB -1.108 36.993 38.000 0.168 0.000 1.064 75 I HN 0.454 nan 8.210 nan 0.000 0.414 76 Q N 0.713 120.601 119.800 0.147 0.000 2.020 76 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 76 Q C 2.257 178.274 176.000 0.029 0.000 0.982 76 Q CA 1.622 57.490 55.803 0.110 0.000 0.838 76 Q CB -0.061 28.781 28.738 0.174 0.000 0.899 76 Q HN 0.468 nan 8.270 nan 0.000 0.423 77 K N 0.319 120.730 120.400 0.017 0.000 2.063 77 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 77 K C 2.098 178.657 176.600 -0.068 0.000 1.048 77 K CA 1.337 57.621 56.287 -0.005 0.000 0.928 77 K CB -0.214 32.294 32.500 0.013 0.000 0.713 77 K HN 0.287 nan 8.250 nan 0.000 0.442 78 M N 1.388 120.875 119.600 -0.189 0.000 2.086 78 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 78 M C 2.184 178.331 176.300 -0.254 0.000 1.067 78 M CA 1.793 56.826 55.300 -0.445 0.000 1.116 78 M CB -0.122 32.024 32.600 -0.757 0.000 1.348 78 M HN 0.071 nan 8.290 nan 0.000 0.407 79 V N -1.484 118.343 119.914 -0.146 0.000 2.515 79 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 79 V C 1.805 177.883 176.094 -0.027 0.000 1.058 79 V CA 1.837 64.095 62.300 -0.069 0.000 1.064 79 V CB -1.239 30.555 31.823 -0.049 0.000 0.675 79 V HN 0.480 nan 8.190 nan 0.000 0.461 80 K N 1.005 121.394 120.400 -0.018 0.000 2.442 80 K HA 0.068 4.387 4.320 -0.000 0.000 0.198 80 K C 1.655 178.271 176.600 0.027 0.000 1.042 80 K CA 1.455 57.746 56.287 0.008 0.000 0.958 80 K CB 0.057 32.565 32.500 0.014 0.000 0.766 80 K HN 0.702 nan 8.250 nan 0.000 0.474 81 V N -2.258 117.680 119.914 0.039 0.000 3.477 81 V HA 0.224 4.344 4.120 -0.000 0.000 0.297 81 V C 0.336 176.500 176.094 0.117 0.000 1.433 81 V CA -0.483 61.867 62.300 0.082 0.000 1.052 81 V CB -0.398 31.497 31.823 0.120 0.000 0.895 81 V HN 0.005 nan 8.190 nan 0.000 0.438 82 L N 3.125 124.410 121.223 0.103 0.000 2.559 82 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 82 L C -0.654 176.268 176.870 0.086 0.000 1.205 82 L CA -0.601 54.314 54.840 0.126 0.000 0.907 82 L CB 0.616 42.731 42.059 0.094 0.000 1.153 82 L HN 0.192 nan 8.230 nan 0.000 0.490 83 P HA 0.011 nan 4.420 nan 0.000 0.239 83 P C 0.027 177.352 177.300 0.042 0.000 1.188 83 P CA 0.465 63.599 63.100 0.056 0.000 0.794 83 P CB 0.556 32.287 31.700 0.051 0.000 0.937 84 D N -0.117 120.309 120.400 0.043 0.000 2.272 84 D HA 0.094 4.734 4.640 -0.000 0.000 0.247 84 D C 0.757 177.075 176.300 0.029 0.000 0.990 84 D CA -0.480 53.539 54.000 0.032 0.000 0.931 84 D CB 2.122 42.941 40.800 0.032 0.000 1.195 84 D HN -0.156 nan 8.370 nan 0.000 0.477 85 E N 0.305 120.517 120.200 0.021 0.000 2.209 85 E HA -0.091 4.259 4.350 -0.000 0.000 0.196 85 E C 0.301 176.912 176.600 0.018 0.000 0.993 85 E CA 0.731 57.141 56.400 0.017 0.000 0.819 85 E CB 0.292 29.999 29.700 0.012 0.000 0.745 85 E HN 0.353 nan 8.360 nan 0.000 0.477 86 I N 0.279 120.862 120.570 0.022 0.000 2.530 86 I HA 0.244 4.414 4.170 -0.000 0.000 0.297 86 I C -0.006 176.131 176.117 0.033 0.000 1.011 86 I CA -0.377 60.937 61.300 0.023 0.000 1.107 86 I CB 1.938 39.949 38.000 0.018 0.000 1.285 86 I HN -0.280 nan 8.210 nan 0.000 0.436 87 T N 4.676 119.252 114.554 0.038 0.000 2.861 87 T HA 0.431 4.781 4.350 -0.000 0.000 0.287 87 T C -0.458 174.269 174.700 0.045 0.000 1.003 87 T CA -0.641 61.490 62.100 0.051 0.000 0.977 87 T CB 1.966 70.872 68.868 0.064 0.000 0.996 87 T HN 0.430 nan 8.240 nan 0.000 0.448 88 E N 2.389 122.616 120.200 0.045 0.000 2.187 88 E HA 0.538 4.888 4.350 -0.000 0.000 0.268 88 E C -0.912 175.711 176.600 0.038 0.000 0.896 88 E CA -0.614 55.803 56.400 0.030 0.000 0.766 88 E CB 1.644 31.356 29.700 0.021 0.000 1.142 88 E HN 0.410 nan 8.360 nan 0.000 0.408 89 L N 2.214 123.447 121.223 0.018 0.000 2.346 89 L HA 0.610 4.950 4.340 -0.000 0.000 0.276 89 L C -0.064 176.804 176.870 -0.004 0.000 1.006 89 L CA -0.544 54.311 54.840 0.026 0.000 0.817 89 L CB 1.617 43.690 42.059 0.023 0.000 1.272 89 L HN 0.611 nan 8.230 nan 0.000 0.421 90 S N 2.110 117.811 115.700 0.001 0.000 2.672 90 S HA 0.732 5.202 4.470 -0.000 0.000 0.271 90 S C -1.249 173.321 174.600 -0.050 0.000 1.171 90 S CA -1.019 57.170 58.200 -0.018 0.000 0.817 90 S CB 1.487 64.679 63.200 -0.013 0.000 1.150 90 S HN 0.414 nan 8.310 nan 0.000 0.478 91 L N 0.934 122.116 121.223 -0.069 0.000 2.329 91 L HA 0.747 5.087 4.340 -0.000 0.000 0.279 91 L C -0.332 176.487 176.870 -0.084 0.000 1.014 91 L CA -0.344 54.425 54.840 -0.119 0.000 0.814 91 L CB 1.769 43.735 42.059 -0.156 0.000 1.257 91 L HN 0.924 nan 8.230 nan 0.000 0.424 92 E N 2.187 122.334 120.200 -0.088 0.000 2.265 92 E HA 0.523 4.873 4.350 -0.000 0.000 0.262 92 E C 0.285 176.841 176.600 -0.073 0.000 0.889 92 E CA 0.035 56.396 56.400 -0.064 0.000 0.789 92 E CB 1.578 31.250 29.700 -0.045 0.000 1.221 92 E HN 0.730 nan 8.360 nan 0.000 0.414 93 G N 4.654 113.413 108.800 -0.067 0.000 2.611 93 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.301 93 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.301 93 G C 0.216 175.062 174.900 -0.090 0.000 1.233 93 G CA 0.424 45.484 45.100 -0.066 0.000 0.993 93 G HN 0.697 nan 8.290 nan 0.000 0.553 94 D N 2.099 122.447 120.400 -0.086 0.000 2.358 94 D HA 0.509 5.149 4.640 -0.000 0.000 0.224 94 D C 0.904 177.119 176.300 -0.142 0.000 1.123 94 D CA 0.901 54.837 54.000 -0.108 0.000 0.833 94 D CB 0.199 40.957 40.800 -0.070 0.000 0.946 94 D HN 0.815 nan 8.370 nan 0.000 0.505 95 A N 0.653 123.387 122.820 -0.143 0.000 2.337 95 A HA 0.527 4.847 4.320 -0.000 0.000 0.329 95 A C -0.491 176.969 177.584 -0.206 0.000 1.146 95 A CA -0.687 51.264 52.037 -0.143 0.000 0.800 95 A CB 1.276 20.229 19.000 -0.078 0.000 1.220 95 A HN 0.172 nan 8.150 nan 0.000 0.472 96 L N 3.124 124.209 121.223 -0.229 0.000 2.319 96 L HA 0.506 4.846 4.340 -0.000 0.000 0.280 96 L C -0.574 176.260 176.870 -0.060 0.000 1.099 96 L CA 0.283 55.006 54.840 -0.196 0.000 0.828 96 L CB 0.974 42.925 42.059 -0.179 0.000 1.150 96 L HN 0.388 nan 8.230 nan 0.000 0.442 97 V N 7.127 127.022 119.914 -0.031 0.000 2.370 97 V HA 0.421 4.541 4.120 -0.000 0.000 0.283 97 V C -0.102 176.026 176.094 0.057 0.000 1.023 97 V CA -0.327 61.984 62.300 0.018 0.000 0.857 97 V CB 1.281 33.105 31.823 0.002 0.000 0.985 97 V HN 0.586 nan 8.190 nan 0.000 0.443 98 I N 3.995 124.631 120.570 0.110 0.000 2.411 98 I HA 0.449 4.619 4.170 -0.000 0.000 0.284 98 I C 0.056 176.268 176.117 0.158 0.000 1.012 98 I CA 0.304 61.687 61.300 0.138 0.000 1.119 98 I CB 1.895 39.991 38.000 0.159 0.000 1.261 98 I HN 0.494 nan 8.210 nan 0.000 0.448 99 S N 3.769 119.533 115.700 0.107 0.000 2.478 99 S HA 0.682 5.152 4.470 -0.000 0.000 0.312 99 S C -0.442 174.206 174.600 0.080 0.000 1.094 99 S CA -0.700 57.550 58.200 0.083 0.000 1.081 99 S CB 1.628 64.856 63.200 0.047 0.000 1.007 99 S HN 0.542 nan 8.310 nan 0.000 0.475 100 S N 2.584 118.335 115.700 0.084 0.000 2.750 100 S HA 0.622 5.092 4.470 -0.000 0.000 0.276 100 S C 0.582 175.214 174.600 0.054 0.000 1.165 100 S CA 0.260 58.504 58.200 0.072 0.000 1.047 100 S CB 0.041 63.298 63.200 0.096 0.000 1.056 100 S HN 1.391 nan 8.310 nan 0.000 0.481 101 G N 4.274 113.096 108.800 0.036 0.000 2.629 101 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.313 101 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.313 101 G C 1.275 176.185 174.900 0.016 0.000 1.217 101 G CA 1.196 46.311 45.100 0.025 0.000 0.994 101 G HN 1.886 nan 8.290 nan 0.000 0.549 102 S N 0.027 115.734 115.700 0.011 0.000 2.481 102 S HA 0.269 4.739 4.470 -0.000 0.000 0.231 102 S C 1.170 175.757 174.600 -0.021 0.000 0.996 102 S CA 1.816 60.013 58.200 -0.004 0.000 0.942 102 S CB -0.525 62.672 63.200 -0.005 0.000 0.768 102 S HN 2.058 nan 8.310 nan 0.000 0.520 103 T N -0.301 114.246 114.554 -0.011 0.000 2.859 103 T HA 0.728 5.078 4.350 -0.000 0.000 0.281 103 T C -0.770 173.908 174.700 -0.036 0.000 1.005 103 T CA -0.810 61.256 62.100 -0.057 0.000 1.025 103 T CB 1.805 70.670 68.868 -0.005 0.000 0.977 103 T HN 0.037 nan 8.240 nan 0.000 0.458 104 V N 3.200 123.043 119.914 -0.119 0.000 2.569 104 V HA 0.479 4.599 4.120 -0.000 0.000 0.301 104 V C -1.100 174.908 176.094 -0.144 0.000 1.044 104 V CA -0.914 61.358 62.300 -0.046 0.000 0.874 104 V CB 1.175 32.981 31.823 -0.029 0.000 1.002 104 V HN 0.914 nan 8.190 nan 0.000 0.424 105 F N 3.556 123.512 119.950 0.009 0.000 2.421 105 F HA 0.656 5.183 4.527 0.000 0.000 0.337 105 F C 0.792 176.589 175.800 -0.004 0.000 1.105 105 F CA -0.468 57.536 58.000 0.007 0.000 1.049 105 F CB 1.598 40.609 39.000 0.018 0.000 1.139 105 F HN 0.247 nan 8.300 nan 0.000 0.479 106 R N 4.252 124.851 120.500 0.165 0.000 2.388 106 R HA 0.509 4.849 4.340 -0.000 0.000 0.314 106 R C -1.440 174.904 176.300 0.072 0.000 0.959 106 R CA -0.610 55.536 56.100 0.077 0.000 0.851 106 R CB 1.331 31.647 30.300 0.027 0.000 1.168 106 R HN 0.411 nan 8.270 nan 0.000 0.472 107 I N 2.140 122.733 120.570 0.038 0.000 2.362 107 I HA 0.143 4.313 4.170 -0.000 0.000 0.289 107 I C 0.812 176.909 176.117 -0.033 0.000 0.994 107 I CA -0.552 60.758 61.300 0.018 0.000 1.158 107 I CB 1.678 39.680 38.000 0.004 0.000 1.315 107 I HN 0.444 nan 8.210 nan 0.000 0.451 108 T N 5.701 120.243 114.554 -0.020 0.000 2.867 108 T HA 0.159 4.509 4.350 -0.000 0.000 0.297 108 T C 0.628 175.303 174.700 -0.042 0.000 0.989 108 T CA 0.085 62.163 62.100 -0.037 0.000 1.159 108 T CB 0.035 68.894 68.868 -0.016 0.000 0.928 108 T HN 0.828 nan 8.240 nan 0.000 0.538 109 T N 3.748 118.256 114.554 -0.077 0.000 2.918 109 T HA 0.691 5.041 4.350 -0.000 0.000 0.283 109 T C 0.085 174.797 174.700 0.019 0.000 1.001 109 T CA -0.958 61.118 62.100 -0.040 0.000 1.041 109 T CB 0.961 69.721 68.868 -0.180 0.000 1.028 109 T HN 0.589 nan 8.240 nan 0.000 0.511 110 M N 1.451 121.099 119.600 0.080 0.000 2.664 110 M HA 0.462 4.942 4.480 -0.000 0.000 0.314 110 M C -2.492 173.876 176.300 0.113 0.000 1.200 110 M CA -2.530 52.818 55.300 0.080 0.000 0.916 110 M CB 2.270 34.917 32.600 0.079 0.000 1.717 110 M HN 0.433 nan 8.290 nan 0.000 0.470 111 P HA 0.120 nan 4.420 nan 0.000 0.271 111 P C -0.797 176.576 177.300 0.121 0.000 1.216 111 P CA 0.056 63.217 63.100 0.102 0.000 0.776 111 P CB 0.638 32.383 31.700 0.076 0.000 0.881 112 A N 2.636 125.531 122.820 0.125 0.000 2.348 112 A HA -0.002 4.318 4.320 -0.000 0.000 0.224 112 A C 1.431 179.106 177.584 0.152 0.000 1.227 112 A CA 0.068 52.187 52.037 0.136 0.000 0.885 112 A CB -0.584 18.460 19.000 0.073 0.000 0.933 112 A HN 0.590 nan 8.150 nan 0.000 0.506 113 D N 0.366 120.834 120.400 0.114 0.000 2.309 113 D HA -0.180 4.460 4.640 -0.000 0.000 0.212 113 D C 0.804 177.159 176.300 0.092 0.000 0.968 113 D CA 1.097 55.153 54.000 0.093 0.000 0.882 113 D CB -0.125 40.715 40.800 0.068 0.000 0.918 113 D HN 0.603 nan 8.370 nan 0.000 0.503 114 E N -1.104 119.159 120.200 0.106 0.000 2.501 114 E HA 0.116 4.466 4.350 -0.000 0.000 0.201 114 E C -0.529 176.121 176.600 0.084 0.000 1.016 114 E CA -0.557 55.888 56.400 0.074 0.000 0.920 114 E CB 0.240 29.968 29.700 0.046 0.000 1.023 114 E HN 0.115 nan 8.360 nan 0.000 0.474 115 F N 3.831 123.790 119.950 0.015 0.000 2.444 115 F HA 0.217 4.744 4.527 0.000 0.000 0.360 115 F C -1.929 173.873 175.800 0.002 0.000 1.106 115 F CA -2.732 55.274 58.000 0.010 0.000 1.170 115 F CB 0.620 39.632 39.000 0.020 0.000 1.113 115 F HN -0.103 nan 8.300 nan 0.000 0.521 116 P HA 0.080 nan 4.420 nan 0.000 0.276 116 P C -0.894 176.451 177.300 0.075 0.000 1.244 116 P CA -0.376 62.696 63.100 -0.047 0.000 0.801 116 P CB 0.790 32.392 31.700 -0.164 0.000 1.006 117 E N 1.165 121.392 120.200 0.046 0.000 2.376 117 E HA 0.171 4.521 4.350 -0.000 0.000 0.266 117 E C 0.059 176.660 176.600 0.002 0.000 1.009 117 E CA 0.051 56.471 56.400 0.034 0.000 0.902 117 E CB 0.394 30.093 29.700 -0.002 0.000 0.972 117 E HN 0.375 nan 8.360 nan 0.000 0.439 118 I N 2.918 123.492 120.570 0.007 0.000 2.312 118 I HA 0.110 4.280 4.170 -0.000 0.000 0.290 118 I C 0.577 176.664 176.117 -0.050 0.000 1.008 118 I CA -0.341 60.948 61.300 -0.018 0.000 1.226 118 I CB 1.088 39.096 38.000 0.014 0.000 1.371 118 I HN 0.349 nan 8.210 nan 0.000 0.468 119 T N 3.785 118.305 114.554 -0.057 0.000 2.887 119 T HA 0.663 5.013 4.350 -0.000 0.000 0.288 119 T C -2.684 171.973 174.700 -0.072 0.000 1.021 119 T CA -2.106 59.954 62.100 -0.066 0.000 1.000 119 T CB 2.110 70.941 68.868 -0.062 0.000 1.034 119 T HN 0.131 nan 8.240 nan 0.000 0.467 120 P HA 0.493 nan 4.420 nan 0.000 0.276 120 P C -0.283 176.961 177.300 -0.093 0.000 1.261 120 P CA -0.625 62.424 63.100 -0.085 0.000 0.800 120 P CB 0.081 31.733 31.700 -0.081 0.000 1.066 121 A N 0.813 123.567 122.820 -0.110 0.000 2.448 121 A HA 0.113 4.433 4.320 -0.000 0.000 0.239 121 A C 0.641 178.157 177.584 -0.112 0.000 1.080 121 A CA -0.051 51.911 52.037 -0.125 0.000 0.779 121 A CB -0.323 18.586 19.000 -0.152 0.000 1.026 121 A HN 0.500 nan 8.150 nan 0.000 0.499 122 E N 0.571 120.700 120.200 -0.119 0.000 2.622 122 E HA 0.270 4.620 4.350 -0.000 0.000 0.255 122 E C 0.638 177.175 176.600 -0.106 0.000 1.313 122 E CA 0.218 56.556 56.400 -0.103 0.000 1.011 122 E CB 0.279 29.917 29.700 -0.103 0.000 1.173 122 E HN 0.770 nan 8.360 nan 0.000 0.601 123 S N -1.064 114.584 115.700 -0.087 0.000 2.558 123 S HA 0.398 4.868 4.470 -0.000 0.000 0.288 123 S C 0.492 175.033 174.600 -0.097 0.000 1.318 123 S CA 0.088 58.242 58.200 -0.077 0.000 1.056 123 S CB 0.994 64.159 63.200 -0.058 0.000 0.853 123 S HN 0.708 nan 8.310 nan 0.000 0.505 124 G N 1.835 110.586 108.800 -0.081 0.000 3.074 124 G HA2 0.379 4.339 3.960 -0.000 0.000 0.127 124 G HA3 0.379 4.339 3.960 -0.000 0.000 0.127 124 G C -1.266 173.622 174.900 -0.021 0.000 1.216 124 G CA -0.692 44.354 45.100 -0.090 0.000 1.390 124 G HN 0.699 nan 8.290 nan 0.000 0.676 125 I N 1.258 121.845 120.570 0.028 0.000 2.377 125 I HA 0.636 4.806 4.170 -0.000 0.000 0.293 125 I C -0.145 176.052 176.117 0.135 0.000 0.987 125 I CA -0.371 61.005 61.300 0.128 0.000 1.185 125 I CB 2.290 40.432 38.000 0.237 0.000 1.341 125 I HN 0.404 nan 8.210 nan 0.000 0.455 126 T N 6.406 121.046 114.554 0.143 0.000 2.909 126 T HA 0.799 5.149 4.350 -0.000 0.000 0.299 126 T C -1.323 173.503 174.700 0.210 0.000 1.073 126 T CA -0.427 61.716 62.100 0.072 0.000 0.999 126 T CB 0.817 69.676 68.868 -0.015 0.000 1.098 126 T HN 0.355 nan 8.240 nan 0.000 0.477 127 F N 0.388 120.367 119.950 0.049 0.000 2.668 127 F HA 0.744 5.271 4.527 0.000 0.000 0.309 127 F C -0.801 175.029 175.800 0.050 0.000 1.117 127 F CA -1.141 56.890 58.000 0.051 0.000 0.951 127 F CB 1.109 40.149 39.000 0.066 0.000 1.323 127 F HN 0.416 nan 8.300 nan 0.000 0.451 128 E N 1.321 121.633 120.200 0.188 0.000 2.231 128 E HA 0.614 4.964 4.350 -0.000 0.000 0.277 128 E C -1.457 175.296 176.600 0.255 0.000 0.999 128 E CA -1.093 55.376 56.400 0.114 0.000 0.827 128 E CB 2.697 32.443 29.700 0.076 0.000 1.101 128 E HN 0.598 nan 8.360 nan 0.000 0.393 129 V N 2.598 122.627 119.914 0.192 0.000 2.925 129 V HA 0.133 4.253 4.120 -0.000 0.000 0.311 129 V C -0.960 175.199 176.094 0.108 0.000 1.104 129 V CA -0.855 61.563 62.300 0.198 0.000 0.954 129 V CB 2.146 34.151 31.823 0.304 0.000 1.022 129 V HN 0.748 nan 8.190 nan 0.000 0.427 130 D N 3.515 123.964 120.400 0.081 0.000 2.487 130 D HA 0.003 4.643 4.640 -0.000 0.000 0.243 130 D C 1.073 177.402 176.300 0.048 0.000 1.154 130 D CA 0.796 54.827 54.000 0.051 0.000 0.876 130 D CB 1.862 42.684 40.800 0.036 0.000 1.161 130 D HN 0.738 nan 8.370 nan 0.000 0.478 131 T N 2.834 117.411 114.554 0.038 0.000 2.708 131 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 131 T C 2.003 176.719 174.700 0.026 0.000 1.037 131 T CA 1.584 63.705 62.100 0.035 0.000 1.146 131 T CB -0.118 68.765 68.868 0.026 0.000 0.865 131 T HN 0.434 nan 8.240 nan 0.000 0.435 132 S N 1.566 117.277 115.700 0.018 0.000 2.368 132 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 132 S C 1.952 176.553 174.600 0.000 0.000 1.030 132 S CA 0.683 58.888 58.200 0.008 0.000 0.999 132 S CB -0.556 62.648 63.200 0.006 0.000 0.844 132 S HN 0.225 nan 8.310 nan 0.000 0.459 133 L N 1.442 122.667 121.223 0.003 0.000 2.017 133 L HA 0.009 4.349 4.340 -0.000 0.000 0.208 133 L C 2.131 178.987 176.870 -0.023 0.000 1.073 133 L CA 1.445 56.280 54.840 -0.010 0.000 0.745 133 L CB -0.706 41.354 42.059 0.002 0.000 0.894 133 L HN 0.276 nan 8.230 nan 0.000 0.432 134 L N -0.501 120.721 121.223 -0.001 0.000 2.093 134 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 134 L C 2.499 179.351 176.870 -0.030 0.000 1.085 134 L CA 1.729 56.561 54.840 -0.014 0.000 0.755 134 L CB -0.928 41.164 42.059 0.055 0.000 0.904 134 L HN 0.436 nan 8.230 nan 0.000 0.435 135 E N 0.065 120.263 120.200 -0.004 0.000 2.049 135 E HA -0.333 4.017 4.350 -0.000 0.000 0.198 135 E C 2.058 178.645 176.600 -0.023 0.000 1.007 135 E CA 1.905 58.304 56.400 -0.002 0.000 0.809 135 E CB -0.134 29.571 29.700 0.008 0.000 0.749 135 E HN 0.743 nan 8.360 nan 0.000 0.450 136 E N -0.132 120.046 120.200 -0.037 0.000 2.058 136 E HA -0.212 4.138 4.350 -0.000 0.000 0.194 136 E C 2.353 178.895 176.600 -0.097 0.000 0.997 136 E CA 1.569 57.932 56.400 -0.061 0.000 0.801 136 E CB -0.134 29.525 29.700 -0.069 0.000 0.746 136 E HN 0.284 nan 8.360 nan 0.000 0.450 137 M N 0.163 119.693 119.600 -0.116 0.000 2.108 137 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 137 M C 2.365 178.569 176.300 -0.160 0.000 1.066 137 M CA 1.163 56.366 55.300 -0.162 0.000 1.107 137 M CB -0.114 32.368 32.600 -0.196 0.000 1.356 137 M HN 0.089 nan 8.290 nan 0.000 0.406 138 V N -0.080 119.754 119.914 -0.133 0.000 2.307 138 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 138 V C 2.410 178.483 176.094 -0.036 0.000 1.045 138 V CA 2.289 64.522 62.300 -0.111 0.000 1.024 138 V CB -0.755 31.034 31.823 -0.057 0.000 0.651 138 V HN 0.558 nan 8.190 nan 0.000 0.449 139 E N -0.108 120.095 120.200 0.004 0.000 2.204 139 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 139 E C 2.133 178.815 176.600 0.137 0.000 0.990 139 E CA 1.452 57.899 56.400 0.079 0.000 0.821 139 E CB -0.331 29.411 29.700 0.070 0.000 0.750 139 E HN 0.727 nan 8.360 nan 0.000 0.477 140 K N -0.445 119.991 120.400 0.060 0.000 2.432 140 K HA 0.011 4.331 4.320 -0.000 0.000 0.196 140 K C 1.996 178.713 176.600 0.195 0.000 1.038 140 K CA 1.074 57.435 56.287 0.124 0.000 0.986 140 K CB 0.418 32.867 32.500 -0.084 0.000 0.782 140 K HN 0.440 nan 8.250 nan 0.000 0.485 141 V N -3.039 116.887 119.914 0.019 0.000 3.473 141 V HA 0.133 4.253 4.120 -0.000 0.000 0.253 141 V C 1.610 177.551 176.094 -0.254 0.000 1.340 141 V CA -0.021 62.194 62.300 -0.143 0.000 1.103 141 V CB -0.213 31.481 31.823 -0.216 0.000 0.881 141 V HN 0.093 nan 8.190 nan 0.000 0.451 142 I N 1.278 121.797 120.570 -0.085 0.000 2.454 142 I HA -0.175 3.994 4.170 -0.000 0.000 0.254 142 I C 2.411 178.502 176.117 -0.042 0.000 1.156 142 I CA 2.250 63.517 61.300 -0.054 0.000 1.433 142 I CB -0.092 37.925 38.000 0.027 0.000 1.082 142 I HN 0.578 nan 8.210 nan 0.000 0.432 143 F N 1.099 121.001 119.950 -0.079 0.000 2.307 143 F HA -0.066 4.460 4.527 -0.000 0.000 0.301 143 F C 1.980 177.769 175.800 -0.019 0.000 1.076 143 F CA 0.995 58.965 58.000 -0.049 0.000 1.383 143 F CB -1.114 37.813 39.000 -0.123 0.000 1.055 143 F HN -0.025 nan 8.300 nan 0.000 0.526 144 A N 0.744 123.052 122.820 -0.855 0.000 2.218 144 A HA 0.590 4.909 4.320 -0.000 0.000 0.209 144 A C 1.527 178.970 177.584 -0.235 0.000 1.168 144 A CA 0.229 51.892 52.037 -0.623 0.000 0.804 144 A CB -1.122 17.398 19.000 -0.800 0.000 0.834 144 A HN 0.488 nan 8.150 nan 0.000 0.482 145 A N 0.410 123.143 122.820 -0.146 0.000 2.498 145 A HA 0.527 4.847 4.320 -0.000 0.000 0.239 145 A C 0.866 178.462 177.584 0.021 0.000 1.068 145 A CA 0.170 52.189 52.037 -0.031 0.000 0.766 145 A CB -0.277 18.724 19.000 0.001 0.000 1.003 145 A HN 1.394 nan 8.150 nan 0.000 0.497 146 A N 2.104 124.951 122.820 0.044 0.000 2.546 146 A HA 0.226 4.546 4.320 -0.000 0.000 0.243 146 A C 1.018 178.653 177.584 0.087 0.000 1.063 146 A CA 0.417 52.498 52.037 0.074 0.000 0.757 146 A CB -0.018 19.022 19.000 0.067 0.000 0.991 146 A HN 0.877 nan 8.150 nan 0.000 0.503 147 K N 0.824 121.287 120.400 0.106 0.000 2.361 147 K HA -0.019 4.301 4.320 -0.000 0.000 0.196 147 K C -0.012 176.650 176.600 0.103 0.000 1.039 147 K CA 0.331 56.679 56.287 0.102 0.000 1.001 147 K CB 0.213 32.779 32.500 0.110 0.000 0.795 147 K HN 0.795 nan 8.250 nan 0.000 0.495 148 D N 1.808 122.279 120.400 0.117 0.000 2.344 148 D HA -0.012 4.628 4.640 -0.000 0.000 0.253 148 D C 0.253 176.633 176.300 0.132 0.000 1.255 148 D CA 0.262 54.341 54.000 0.132 0.000 0.894 148 D CB 0.873 41.765 40.800 0.154 0.000 1.067 148 D HN 0.047 nan 8.370 nan 0.000 0.492 149 E N 2.351 122.624 120.200 0.121 0.000 2.209 149 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 149 E C 1.325 177.990 176.600 0.109 0.000 0.993 149 E CA 0.695 57.154 56.400 0.099 0.000 0.819 149 E CB -0.165 29.587 29.700 0.086 0.000 0.745 149 E HN 0.590 nan 8.360 nan 0.000 0.477 150 F N 0.726 120.695 119.950 0.031 0.000 2.269 150 F HA -0.055 4.472 4.527 -0.000 0.000 0.301 150 F C 0.985 176.797 175.800 0.021 0.000 1.082 150 F CA 0.799 58.814 58.000 0.025 0.000 1.360 150 F CB 0.066 39.080 39.000 0.023 0.000 1.041 150 F HN -0.121 nan 8.300 nan 0.000 0.512 151 M N 1.312 120.966 119.600 0.090 0.000 3.213 151 M HA 0.126 4.606 4.480 -0.000 0.000 0.275 151 M C 1.173 177.437 176.300 -0.059 0.000 1.424 151 M CA 0.110 55.411 55.300 0.001 0.000 1.561 151 M CB 0.236 32.885 32.600 0.081 0.000 1.109 151 M HN 0.062 nan 8.290 nan 0.000 0.552 152 R N 1.086 121.487 120.500 -0.166 0.000 2.105 152 R HA -0.160 4.180 4.340 -0.000 0.000 0.239 152 R C 1.898 178.187 176.300 -0.018 0.000 1.135 152 R CA 1.680 57.721 56.100 -0.097 0.000 0.967 152 R CB -0.320 29.891 30.300 -0.147 0.000 0.861 152 R HN 0.674 nan 8.270 nan 0.000 0.442 153 N N 0.564 119.246 118.700 -0.030 0.000 2.463 153 N HA -0.093 4.647 4.740 -0.000 0.000 0.181 153 N C 1.234 176.806 175.510 0.103 0.000 1.078 153 N CA 0.995 54.061 53.050 0.026 0.000 0.902 153 N CB 0.082 38.536 38.487 -0.054 0.000 0.970 153 N HN 0.282 nan 8.380 nan 0.000 0.451 154 L N -0.593 120.668 121.223 0.063 0.000 2.701 154 L HA 0.216 4.555 4.340 -0.000 0.000 0.238 154 L C 0.832 177.771 176.870 0.116 0.000 1.106 154 L CA -0.140 54.765 54.840 0.107 0.000 0.898 154 L CB 0.006 42.068 42.059 0.004 0.000 1.188 154 L HN 0.122 nan 8.230 nan 0.000 0.508 155 N N 1.414 120.167 118.700 0.088 0.000 3.178 155 N HA 0.236 4.976 4.740 -0.000 0.000 0.300 155 N C -0.112 175.450 175.510 0.087 0.000 1.242 155 N CA 0.388 53.485 53.050 0.078 0.000 1.192 155 N CB 0.126 38.650 38.487 0.062 0.000 1.463 155 N HN 0.328 nan 8.380 nan 0.000 0.539 156 G N -0.212 108.644 108.800 0.094 0.000 2.317 156 G HA2 0.188 4.148 3.960 -0.000 0.000 0.293 156 G HA3 0.188 4.148 3.960 -0.000 0.000 0.293 156 G C -1.893 173.041 174.900 0.057 0.000 1.287 156 G CA -0.574 44.582 45.100 0.092 0.000 0.850 156 G HN 0.088 nan 8.290 nan 0.000 0.515 157 V N 0.362 120.312 119.914 0.061 0.000 2.588 157 V HA 0.647 4.767 4.120 -0.000 0.000 0.304 157 V C -1.022 175.075 176.094 0.005 0.000 1.042 157 V CA -0.666 61.610 62.300 -0.039 0.000 0.877 157 V CB 1.685 33.484 31.823 -0.040 0.000 0.996 157 V HN 0.750 nan 8.190 nan 0.000 0.425 158 F N 4.340 123.975 119.950 -0.524 0.000 2.408 158 F HA 0.671 5.198 4.527 0.000 0.000 0.344 158 F C -0.912 174.646 175.800 -0.404 0.000 1.112 158 F CA -1.171 56.473 58.000 -0.592 0.000 1.096 158 F CB 1.005 39.168 39.000 -1.395 0.000 1.129 158 F HN 0.449 nan 8.300 nan 0.000 0.486 159 W N 5.004 125.574 121.300 -1.217 0.000 2.429 159 W HA 0.514 5.174 4.660 -0.000 0.000 0.314 159 W C -0.812 174.907 176.519 -1.333 0.000 1.062 159 W CA -0.754 55.890 57.345 -1.168 0.000 1.211 159 W CB 1.049 29.630 29.460 -1.465 0.000 1.305 159 W HN 0.439 nan 8.180 nan 0.000 0.476 160 E N 3.258 123.079 120.200 -0.632 0.000 2.185 160 E HA 0.372 4.722 4.350 -0.000 0.000 0.261 160 E C -0.930 175.471 176.600 -0.331 0.000 0.879 160 E CA -0.840 55.277 56.400 -0.473 0.000 0.756 160 E CB 1.687 31.270 29.700 -0.194 0.000 1.152 160 E HN 0.069 nan 8.360 nan 0.000 0.416 161 L N 3.530 124.522 121.223 -0.384 0.000 2.295 161 L HA 0.474 4.814 4.340 -0.000 0.000 0.285 161 L C -0.180 176.398 176.870 -0.487 0.000 1.035 161 L CA -0.312 54.329 54.840 -0.331 0.000 0.806 161 L CB 0.614 42.512 42.059 -0.268 0.000 1.214 161 L HN 0.664 nan 8.230 nan 0.000 0.426 162 H N 0.679 119.675 119.070 -0.124 0.000 2.869 162 H HA 0.383 4.939 4.556 -0.000 0.000 0.342 162 H C -0.446 174.833 175.328 -0.081 0.000 1.250 162 H CA -1.036 54.967 56.048 -0.076 0.000 1.217 162 H CB 1.000 30.727 29.762 -0.058 0.000 1.917 162 H HN 0.230 nan 8.280 nan 0.000 0.586 163 K N 1.858 122.314 120.400 0.094 0.000 2.473 163 K HA -0.110 4.210 4.320 -0.000 0.000 0.277 163 K C -0.392 176.215 176.600 0.012 0.000 1.052 163 K CA 0.192 56.500 56.287 0.036 0.000 1.114 163 K CB -0.608 31.916 32.500 0.039 0.000 0.869 163 K HN 0.631 nan 8.250 nan 0.000 0.481 164 N N 1.706 120.396 118.700 -0.016 0.000 2.707 164 N HA -0.261 4.479 4.740 -0.000 0.000 0.253 164 N C -1.170 174.314 175.510 -0.043 0.000 0.998 164 N CA 1.126 54.159 53.050 -0.028 0.000 0.751 164 N CB -0.907 37.574 38.487 -0.010 0.000 0.920 164 N HN 0.434 nan 8.380 nan 0.000 0.539 165 L N -0.318 120.861 121.223 -0.074 0.000 2.611 165 L HA 0.596 4.936 4.340 -0.000 0.000 0.260 165 L C -1.788 175.008 176.870 -0.124 0.000 0.924 165 L CA -0.783 54.016 54.840 -0.068 0.000 0.901 165 L CB 1.626 43.678 42.059 -0.012 0.000 1.369 165 L HN 0.066 nan 8.230 nan 0.000 0.415 166 L N 4.429 125.562 121.223 -0.150 0.000 2.385 166 L HA 0.766 5.106 4.340 -0.000 0.000 0.273 166 L C -1.137 175.625 176.870 -0.179 0.000 0.990 166 L CA -0.194 54.523 54.840 -0.206 0.000 0.821 166 L CB 1.648 43.556 42.059 -0.252 0.000 1.279 166 L HN 0.770 nan 8.230 nan 0.000 0.412 167 R N 5.068 125.446 120.500 -0.203 0.000 2.621 167 R HA 0.742 5.082 4.340 -0.000 0.000 0.292 167 R C -1.944 174.142 176.300 -0.356 0.000 0.969 167 R CA -0.683 55.289 56.100 -0.213 0.000 0.887 167 R CB 1.365 31.605 30.300 -0.100 0.000 1.180 167 R HN 0.778 nan 8.270 nan 0.000 0.450 168 L N 4.311 125.295 121.223 -0.398 0.000 2.346 168 L HA 0.658 4.998 4.340 -0.000 0.000 0.274 168 L C -0.874 175.755 176.870 -0.401 0.000 1.007 168 L CA -1.189 53.344 54.840 -0.512 0.000 0.818 168 L CB 2.160 43.865 42.059 -0.589 0.000 1.284 168 L HN 0.368 nan 8.230 nan 0.000 0.424 169 V N 1.339 121.000 119.914 -0.423 0.000 2.760 169 V HA 0.872 4.992 4.120 -0.000 0.000 0.309 169 V C -0.468 175.424 176.094 -0.336 0.000 1.077 169 V CA -0.565 61.491 62.300 -0.407 0.000 0.910 169 V CB 1.820 33.295 31.823 -0.580 0.000 1.008 169 V HN 0.882 nan 8.190 nan 0.000 0.424 170 A N 2.499 125.191 122.820 -0.213 0.000 2.515 170 A HA 0.982 5.302 4.320 -0.000 0.000 0.298 170 A C -0.679 176.875 177.584 -0.049 0.000 1.059 170 A CA -0.450 51.528 52.037 -0.100 0.000 0.698 170 A CB 2.253 21.146 19.000 -0.178 0.000 1.289 170 A HN 1.078 nan 8.150 nan 0.000 0.404 171 S N -0.232 115.495 115.700 0.046 0.000 2.565 171 S HA 0.584 5.054 4.470 -0.000 0.000 0.269 171 S C -1.495 173.084 174.600 -0.035 0.000 1.153 171 S CA 0.175 58.356 58.200 -0.032 0.000 0.835 171 S CB 1.616 64.795 63.200 -0.036 0.000 1.122 171 S HN 1.027 nan 8.310 nan 0.000 0.462 172 D N 0.530 120.886 120.400 -0.072 0.000 2.535 172 D HA 0.327 4.967 4.640 -0.000 0.000 0.229 172 D C 1.210 177.435 176.300 -0.125 0.000 1.238 172 D CA 0.609 54.584 54.000 -0.043 0.000 0.824 172 D CB 0.006 40.823 40.800 0.029 0.000 1.045 172 D HN 1.180 nan 8.370 nan 0.000 0.500 173 G N 0.153 108.843 108.800 -0.183 0.000 2.284 173 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.247 173 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.247 173 G C 0.655 175.344 174.900 -0.351 0.000 1.012 173 G CA 0.408 45.324 45.100 -0.306 0.000 0.618 173 G HN 0.323 nan 8.290 nan 0.000 0.521 174 F N 1.171 121.062 119.950 -0.099 0.000 2.559 174 F HA 0.457 4.983 4.527 -0.000 0.000 0.286 174 F C 1.498 177.184 175.800 -0.190 0.000 1.108 174 F CA 1.118 59.053 58.000 -0.107 0.000 1.436 174 F CB 0.319 39.230 39.000 -0.148 0.000 1.130 174 F HN 0.424 nan 8.300 nan 0.000 0.584 175 R N -0.231 120.210 120.500 -0.100 0.000 2.752 175 R HA 0.746 5.086 4.340 -0.000 0.000 0.271 175 R C -1.923 174.316 176.300 -0.101 0.000 1.026 175 R CA -0.895 55.138 56.100 -0.113 0.000 0.901 175 R CB 1.792 31.953 30.300 -0.231 0.000 1.243 175 R HN 0.028 nan 8.270 nan 0.000 0.463 176 L N -0.267 120.922 121.223 -0.057 0.000 2.472 176 L HA 0.931 5.271 4.340 -0.000 0.000 0.260 176 L C -1.546 175.282 176.870 -0.070 0.000 0.963 176 L CA -0.690 54.104 54.840 -0.077 0.000 0.829 176 L CB 2.405 44.445 42.059 -0.031 0.000 1.348 176 L HN 1.032 nan 8.230 nan 0.000 0.408 177 A N 4.847 127.560 122.820 -0.178 0.000 2.355 177 A HA 0.815 5.135 4.320 -0.000 0.000 0.317 177 A C -1.778 175.616 177.584 -0.318 0.000 1.094 177 A CA -0.527 51.361 52.037 -0.248 0.000 0.764 177 A CB 1.668 20.531 19.000 -0.228 0.000 1.230 177 A HN 0.787 nan 8.150 nan 0.000 0.448 178 L N 1.902 122.884 121.223 -0.403 0.000 2.431 178 L HA 0.866 5.206 4.340 -0.000 0.000 0.266 178 L C -0.472 176.251 176.870 -0.246 0.000 0.978 178 L CA -0.436 54.226 54.840 -0.297 0.000 0.822 178 L CB 1.951 43.881 42.059 -0.216 0.000 1.310 178 L HN 0.960 nan 8.230 nan 0.000 0.409 179 A N 3.984 126.685 122.820 -0.198 0.000 2.393 179 A HA 0.735 5.055 4.320 -0.000 0.000 0.306 179 A C -1.338 176.165 177.584 -0.134 0.000 1.050 179 A CA -0.472 51.487 52.037 -0.129 0.000 0.724 179 A CB 1.768 20.669 19.000 -0.166 0.000 1.248 179 A HN 0.733 nan 8.150 nan 0.000 0.424 180 E N 1.556 121.710 120.200 -0.076 0.000 2.308 180 E HA 0.537 4.887 4.350 -0.000 0.000 0.275 180 E C -1.473 175.094 176.600 -0.055 0.000 0.890 180 E CA -0.436 55.916 56.400 -0.080 0.000 0.754 180 E CB 1.473 31.139 29.700 -0.056 0.000 1.207 180 E HN 0.606 nan 8.360 nan 0.000 0.426 181 E N 2.521 122.678 120.200 -0.070 0.000 2.356 181 E HA 0.115 4.465 4.350 -0.000 0.000 0.275 181 E C -1.260 175.309 176.600 -0.052 0.000 0.904 181 E CA -0.757 55.614 56.400 -0.049 0.000 0.757 181 E CB 2.107 31.777 29.700 -0.050 0.000 1.232 181 E HN 0.573 nan 8.360 nan 0.000 0.442 182 Q N 2.489 122.269 119.800 -0.034 0.000 2.311 182 Q HA 0.351 4.691 4.340 -0.000 0.000 0.272 182 Q C -0.156 175.827 176.000 -0.028 0.000 1.012 182 Q CA 0.150 55.935 55.803 -0.031 0.000 0.891 182 Q CB 0.301 29.029 28.738 -0.017 0.000 1.201 182 Q HN 0.555 nan 8.270 nan 0.000 0.391 183 I N -0.628 119.920 120.570 -0.036 0.000 3.467 183 I HA 0.514 4.684 4.170 -0.000 0.000 0.314 183 I C -1.164 174.948 176.117 -0.009 0.000 1.177 183 I CA -1.244 60.045 61.300 -0.018 0.000 0.943 183 I CB 2.126 40.103 38.000 -0.037 0.000 1.338 183 I HN 0.424 nan 8.210 nan 0.000 0.482 184 E N 2.103 122.318 120.200 0.026 0.000 2.081 184 E HA 0.394 4.743 4.350 -0.000 0.000 0.281 184 E C -1.336 175.293 176.600 0.049 0.000 0.986 184 E CA -0.293 56.130 56.400 0.038 0.000 0.796 184 E CB 1.101 30.836 29.700 0.057 0.000 1.085 184 E HN 0.496 nan 8.360 nan 0.000 0.398 185 N N 0.884 119.588 118.700 0.008 0.000 2.406 185 N HA -0.022 4.718 4.740 -0.000 0.000 0.283 185 N C -0.114 175.405 175.510 0.015 0.000 1.074 185 N CA -0.176 52.875 53.050 0.001 0.000 0.916 185 N CB 1.840 40.216 38.487 -0.186 0.000 1.639 185 N HN 0.124 nan 8.380 nan 0.000 0.485 186 E N 1.616 121.848 120.200 0.052 0.000 2.060 186 E HA 0.117 4.467 4.350 -0.000 0.000 0.189 186 E C -0.207 176.415 176.600 0.036 0.000 0.974 186 E CA 1.229 57.656 56.400 0.044 0.000 0.808 186 E CB 0.011 29.744 29.700 0.055 0.000 0.768 186 E HN 0.641 nan 8.360 nan 0.000 0.453 187 E N 0.404 120.631 120.200 0.046 0.000 2.235 187 E HA 0.400 4.750 4.350 -0.000 0.000 0.265 187 E C -0.640 175.963 176.600 0.005 0.000 0.940 187 E CA -0.414 56.009 56.400 0.039 0.000 0.819 187 E CB 1.421 31.160 29.700 0.064 0.000 1.206 187 E HN 0.321 nan 8.360 nan 0.000 0.409 188 E N 0.172 120.364 120.200 -0.013 0.000 2.343 188 E HA 0.580 4.930 4.350 -0.000 0.000 0.269 188 E C -0.799 175.778 176.600 -0.038 0.000 1.047 188 E CA -0.452 55.890 56.400 -0.096 0.000 0.874 188 E CB 1.371 31.012 29.700 -0.099 0.000 1.033 188 E HN 0.504 nan 8.360 nan 0.000 0.409 189 A N 1.610 124.366 122.820 -0.107 0.000 2.583 189 A HA 0.561 4.881 4.320 -0.000 0.000 0.292 189 A C -1.298 176.182 177.584 -0.174 0.000 1.045 189 A CA -0.615 51.425 52.037 0.005 0.000 0.672 189 A CB 1.483 20.607 19.000 0.207 0.000 1.283 189 A HN 0.570 nan 8.150 nan 0.000 0.419 190 S N -0.297 115.305 115.700 -0.163 0.000 2.550 190 S HA 0.973 5.443 4.470 -0.000 0.000 0.270 190 S C -0.854 173.529 174.600 -0.361 0.000 1.145 190 S CA -0.298 57.605 58.200 -0.494 0.000 0.852 190 S CB 1.368 64.327 63.200 -0.402 0.000 1.119 190 S HN 2.123 nan 8.310 nan 0.000 0.465 191 F N -0.640 118.972 119.950 -0.564 0.000 2.719 191 F HA 0.786 5.313 4.527 0.000 0.000 0.309 191 F C -2.037 173.674 175.800 -0.150 0.000 1.138 191 F CA -1.337 56.465 58.000 -0.330 0.000 0.943 191 F CB 0.813 39.417 39.000 -0.660 0.000 1.304 191 F HN 0.666 nan 8.300 nan 0.000 0.445 192 L N 3.242 124.661 121.223 0.326 0.000 2.296 192 L HA 0.717 5.057 4.340 -0.000 0.000 0.286 192 L C -1.382 175.625 176.870 0.228 0.000 1.023 192 L CA -0.646 54.381 54.840 0.312 0.000 0.812 192 L CB 1.322 43.575 42.059 0.322 0.000 1.223 192 L HN 0.719 nan 8.230 nan 0.000 0.421 193 L N 3.992 125.343 121.223 0.213 0.000 2.325 193 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 193 L C 0.561 177.512 176.870 0.135 0.000 1.023 193 L CA -0.744 54.179 54.840 0.139 0.000 0.811 193 L CB 1.916 44.045 42.059 0.116 0.000 1.249 193 L HN 0.803 nan 8.230 nan 0.000 0.431 194 S N 1.590 117.344 115.700 0.091 0.000 2.580 194 S HA 0.038 4.508 4.470 -0.000 0.000 0.266 194 S C 0.876 175.528 174.600 0.086 0.000 1.354 194 S CA -0.518 57.729 58.200 0.079 0.000 1.008 194 S CB 0.874 64.105 63.200 0.052 0.000 0.898 194 S HN 0.579 nan 8.310 nan 0.000 0.555 195 L N 1.482 122.751 121.223 0.077 0.000 2.046 195 L HA 0.022 4.362 4.340 -0.000 0.000 0.208 195 L C 2.512 179.425 176.870 0.072 0.000 1.077 195 L CA 2.148 57.034 54.840 0.076 0.000 0.747 195 L CB -1.186 40.915 42.059 0.070 0.000 0.896 195 L HN 0.983 nan 8.230 nan 0.000 0.432 196 K N -1.120 119.317 120.400 0.060 0.000 2.063 196 K HA -0.143 4.177 4.320 -0.000 0.000 0.208 196 K C 2.089 178.720 176.600 0.053 0.000 1.048 196 K CA 1.681 57.999 56.287 0.052 0.000 0.928 196 K CB -0.172 32.351 32.500 0.039 0.000 0.713 196 K HN 0.349 nan 8.250 nan 0.000 0.442 197 S N 0.241 115.972 115.700 0.053 0.000 2.368 197 S HA -0.094 4.376 4.470 -0.000 0.000 0.225 197 S C 1.771 176.419 174.600 0.081 0.000 1.030 197 S CA 1.272 59.502 58.200 0.050 0.000 0.999 197 S CB -0.132 63.089 63.200 0.035 0.000 0.844 197 S HN 0.289 nan 8.310 nan 0.000 0.459 198 M N 1.380 121.046 119.600 0.110 0.000 2.229 198 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 198 M C 1.797 178.163 176.300 0.110 0.000 1.063 198 M CA 1.313 56.699 55.300 0.143 0.000 1.114 198 M CB -1.058 31.633 32.600 0.150 0.000 1.387 198 M HN 0.250 nan 8.290 nan 0.000 0.420 199 K N -0.222 120.230 120.400 0.087 0.000 2.148 199 K HA -0.188 4.132 4.320 -0.000 0.000 0.204 199 K C 1.941 178.584 176.600 0.072 0.000 1.050 199 K CA 1.152 57.485 56.287 0.076 0.000 0.942 199 K CB -0.059 32.482 32.500 0.069 0.000 0.724 199 K HN 0.154 nan 8.250 nan 0.000 0.446 200 E N 1.083 121.325 120.200 0.069 0.000 2.107 200 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 200 E C 1.772 178.413 176.600 0.069 0.000 0.982 200 E CA 0.842 57.280 56.400 0.063 0.000 0.809 200 E CB -0.111 29.620 29.700 0.051 0.000 0.756 200 E HN -0.044 nan 8.360 nan 0.000 0.459 201 V N 1.059 121.025 119.914 0.088 0.000 2.287 201 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 201 V C 2.507 178.658 176.094 0.095 0.000 1.053 201 V CA 2.325 64.691 62.300 0.111 0.000 1.027 201 V CB -0.595 31.344 31.823 0.192 0.000 0.646 201 V HN 0.377 nan 8.190 nan 0.000 0.447 202 Q N -0.488 119.365 119.800 0.088 0.000 2.084 202 Q HA -0.256 4.083 4.340 -0.000 0.000 0.202 202 Q C 2.243 178.278 176.000 0.058 0.000 0.978 202 Q CA 1.884 57.729 55.803 0.069 0.000 0.844 202 Q CB -0.301 28.477 28.738 0.067 0.000 0.898 202 Q HN 0.689 nan 8.270 nan 0.000 0.426 203 N N 0.045 118.780 118.700 0.059 0.000 2.120 203 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 203 N C 1.620 177.156 175.510 0.043 0.000 1.024 203 N CA 1.147 54.228 53.050 0.051 0.000 0.852 203 N CB -0.122 38.399 38.487 0.057 0.000 1.003 203 N HN -0.018 nan 8.380 nan 0.000 0.424 204 V N 0.908 120.849 119.914 0.045 0.000 2.255 204 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 204 V C 2.337 178.450 176.094 0.031 0.000 1.051 204 V CA 1.568 63.889 62.300 0.034 0.000 1.018 204 V CB -0.614 31.230 31.823 0.035 0.000 0.641 204 V HN 0.344 nan 8.190 nan 0.000 0.445 205 L N -0.246 121.002 121.223 0.041 0.000 2.046 205 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 205 L C 2.226 179.113 176.870 0.027 0.000 1.077 205 L CA 1.482 56.344 54.840 0.037 0.000 0.747 205 L CB -0.769 41.317 42.059 0.046 0.000 0.896 205 L HN 0.334 nan 8.230 nan 0.000 0.432 206 D N -0.188 120.229 120.400 0.029 0.000 2.310 206 D HA -0.097 4.543 4.640 -0.000 0.000 0.212 206 D C 1.164 177.474 176.300 0.018 0.000 0.965 206 D CA 0.876 54.890 54.000 0.023 0.000 0.879 206 D CB -0.085 40.731 40.800 0.027 0.000 0.921 206 D HN 0.376 nan 8.370 nan 0.000 0.510 207 N N -0.341 118.369 118.700 0.016 0.000 2.238 207 N HA -0.004 4.736 4.740 -0.000 0.000 0.235 207 N C -0.217 175.294 175.510 0.002 0.000 1.209 207 N CA 0.055 53.110 53.050 0.008 0.000 0.879 207 N CB 1.692 40.184 38.487 0.008 0.000 1.136 207 N HN -0.042 nan 8.380 nan 0.000 0.517 208 T N 0.089 114.646 114.554 0.005 0.000 2.855 208 T HA 0.239 4.589 4.350 -0.000 0.000 0.281 208 T C 1.202 175.903 174.700 0.001 0.000 1.007 208 T CA -0.319 61.781 62.100 0.000 0.000 1.009 208 T CB 1.415 70.284 68.868 0.002 0.000 0.983 208 T HN 0.158 nan 8.240 nan 0.000 0.455 209 T N 0.824 115.377 114.554 -0.002 0.000 3.086 209 T HA 0.216 4.566 4.350 -0.000 0.000 0.250 209 T C 0.528 175.228 174.700 0.000 0.000 1.074 209 T CA -0.313 61.787 62.100 -0.001 0.000 0.988 209 T CB -0.273 68.593 68.868 -0.003 0.000 0.988 209 T HN 0.779 nan 8.240 nan 0.000 0.530 210 E N 1.661 121.862 120.200 0.000 0.000 2.331 210 E HA 0.278 4.628 4.350 -0.000 0.000 0.272 210 E C -1.971 174.633 176.600 0.007 0.000 1.036 210 E CA -2.093 54.308 56.400 0.001 0.000 0.864 210 E CB 1.301 31.000 29.700 -0.002 0.000 1.035 210 E HN 0.019 nan 8.360 nan 0.000 0.408 211 P HA -0.083 nan 4.420 nan 0.000 0.217 211 P C -0.036 177.275 177.300 0.019 0.000 1.150 211 P CA 1.365 64.472 63.100 0.012 0.000 0.832 211 P CB 0.133 31.840 31.700 0.011 0.000 0.787 212 T N -2.921 111.644 114.554 0.019 0.000 2.901 212 T HA 0.680 5.030 4.350 -0.000 0.000 0.293 212 T C -0.553 174.158 174.700 0.018 0.000 1.084 212 T CA -0.988 61.128 62.100 0.027 0.000 1.008 212 T CB 1.773 70.660 68.868 0.031 0.000 1.170 212 T HN -0.077 nan 8.240 nan 0.000 0.509 213 I N -1.950 118.634 120.570 0.022 0.000 2.934 213 I HA 0.810 4.980 4.170 -0.000 0.000 0.306 213 I C -0.595 175.501 176.117 -0.034 0.000 1.110 213 I CA -0.908 60.392 61.300 -0.001 0.000 1.019 213 I CB 2.128 40.135 38.000 0.011 0.000 1.227 213 I HN 0.654 nan 8.210 nan 0.000 0.434 214 T N 3.106 117.613 114.554 -0.078 0.000 2.824 214 T HA 0.733 5.083 4.350 -0.000 0.000 0.280 214 T C -0.591 173.959 174.700 -0.249 0.000 0.995 214 T CA -0.507 61.499 62.100 -0.157 0.000 1.009 214 T CB 1.639 70.437 68.868 -0.117 0.000 0.955 214 T HN 0.485 nan 8.240 nan 0.000 0.452 215 V N 3.410 123.036 119.914 -0.481 0.000 2.540 215 V HA 0.648 4.768 4.120 -0.000 0.000 0.302 215 V C -0.094 175.708 176.094 -0.487 0.000 1.035 215 V CA -0.906 61.059 62.300 -0.560 0.000 0.873 215 V CB 1.887 33.161 31.823 -0.915 0.000 0.992 215 V HN 0.738 nan 8.190 nan 0.000 0.428 216 R N 2.923 123.243 120.500 -0.300 0.000 2.628 216 R HA 0.559 4.899 4.340 -0.000 0.000 0.288 216 R C -2.203 174.012 176.300 -0.143 0.000 0.980 216 R CA -0.647 55.347 56.100 -0.176 0.000 0.891 216 R CB 1.941 32.155 30.300 -0.142 0.000 1.188 216 R HN 0.703 nan 8.270 nan 0.000 0.450 217 Y N 4.000 124.162 120.300 -0.231 0.000 2.350 217 Y HA 0.268 4.818 4.550 0.000 0.000 0.338 217 Y C -0.607 175.184 175.900 -0.181 0.000 0.961 217 Y CA -1.357 56.560 58.100 -0.305 0.000 1.100 217 Y CB 1.624 39.889 38.460 -0.325 0.000 1.179 217 Y HN 0.766 nan 8.280 nan 0.000 0.454 218 D N 2.257 122.310 120.400 -0.578 0.000 2.440 218 D HA 0.282 4.922 4.640 -0.000 0.000 0.216 218 D C 1.440 177.351 176.300 -0.648 0.000 1.150 218 D CA 0.423 54.119 54.000 -0.508 0.000 0.832 218 D CB 0.373 41.008 40.800 -0.276 0.000 0.992 218 D HN 0.933 nan 8.370 nan 0.000 0.502 219 G N 0.705 108.765 108.800 -1.233 0.000 2.258 219 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.233 219 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.233 219 G C 1.373 176.105 174.900 -0.280 0.000 1.006 219 G CA 0.216 44.883 45.100 -0.723 0.000 0.620 219 G HN 0.405 nan 8.290 nan 0.000 0.511 220 R N -0.709 119.645 120.500 -0.243 0.000 2.470 220 R HA 0.421 4.761 4.340 -0.000 0.000 0.210 220 R C 1.037 177.293 176.300 -0.073 0.000 0.873 220 R CA 0.259 56.304 56.100 -0.090 0.000 1.015 220 R CB 0.576 30.820 30.300 -0.094 0.000 1.348 220 R HN 0.306 nan 8.270 nan 0.000 0.650 221 R N 0.290 120.710 120.500 -0.132 0.000 2.795 221 R HA 0.566 4.906 4.340 -0.000 0.000 0.275 221 R C -1.319 174.871 176.300 -0.184 0.000 0.981 221 R CA -0.883 55.133 56.100 -0.140 0.000 0.917 221 R CB 2.891 33.111 30.300 -0.133 0.000 1.202 221 R HN -0.191 nan 8.270 nan 0.000 0.469 222 V N 1.410 121.164 119.914 -0.266 0.000 2.448 222 V HA 0.304 4.424 4.120 -0.000 0.000 0.295 222 V C -0.239 175.691 176.094 -0.274 0.000 1.025 222 V CA -0.608 61.466 62.300 -0.376 0.000 0.859 222 V CB 1.913 33.306 31.823 -0.716 0.000 0.988 222 V HN 0.718 nan 8.190 nan 0.000 0.431 223 S N 4.766 120.327 115.700 -0.233 0.000 2.508 223 S HA 0.693 5.163 4.470 -0.000 0.000 0.284 223 S C -0.563 173.921 174.600 -0.194 0.000 1.192 223 S CA -0.360 57.733 58.200 -0.179 0.000 1.070 223 S CB 1.262 64.375 63.200 -0.144 0.000 1.004 223 S HN 0.582 nan 8.310 nan 0.000 0.493 224 L N 3.423 124.559 121.223 -0.146 0.000 2.319 224 L HA 0.563 4.903 4.340 -0.000 0.000 0.281 224 L C -0.723 176.100 176.870 -0.077 0.000 1.005 224 L CA 0.204 54.976 54.840 -0.113 0.000 0.828 224 L CB 1.391 43.411 42.059 -0.066 0.000 1.227 224 L HN 0.560 nan 8.230 nan 0.000 0.415 225 S N 1.965 117.618 115.700 -0.079 0.000 2.500 225 S HA 0.745 5.215 4.470 -0.000 0.000 0.301 225 S C -0.174 174.401 174.600 -0.042 0.000 1.092 225 S CA -0.547 57.618 58.200 -0.059 0.000 1.030 225 S CB 1.771 64.930 63.200 -0.068 0.000 1.031 225 S HN 0.762 nan 8.310 nan 0.000 0.483 226 T N -0.128 114.408 114.554 -0.030 0.000 2.870 226 T HA 0.414 4.764 4.350 -0.000 0.000 0.277 226 T C 1.129 175.815 174.700 -0.023 0.000 1.000 226 T CA -0.541 61.546 62.100 -0.022 0.000 0.982 226 T CB 0.395 69.253 68.868 -0.016 0.000 1.249 226 T HN 0.342 nan 8.240 nan 0.000 0.589 227 N N 0.580 119.268 118.700 -0.019 0.000 2.069 227 N HA -0.159 4.581 4.740 -0.000 0.000 0.196 227 N C 0.942 176.441 175.510 -0.018 0.000 1.024 227 N CA 2.252 55.291 53.050 -0.018 0.000 0.869 227 N CB -0.340 38.136 38.487 -0.018 0.000 1.035 227 N HN 0.645 nan 8.380 nan 0.000 0.434 228 D N -1.649 118.737 120.400 -0.023 0.000 2.474 228 D HA 0.213 4.853 4.640 -0.000 0.000 0.213 228 D C -0.775 175.510 176.300 -0.025 0.000 1.120 228 D CA 0.115 54.098 54.000 -0.028 0.000 0.836 228 D CB 1.156 41.928 40.800 -0.046 0.000 1.019 228 D HN -0.030 nan 8.370 nan 0.000 0.507 229 V N 1.802 121.702 119.914 -0.024 0.000 2.482 229 V HA 0.264 4.384 4.120 -0.000 0.000 0.295 229 V C -0.359 175.721 176.094 -0.024 0.000 1.026 229 V CA -0.801 61.485 62.300 -0.023 0.000 0.856 229 V CB 2.606 34.415 31.823 -0.023 0.000 1.001 229 V HN -0.167 nan 8.190 nan 0.000 0.424 230 E N 2.600 122.785 120.200 -0.026 0.000 2.134 230 E HA 0.499 4.849 4.350 -0.000 0.000 0.278 230 E C -0.555 176.025 176.600 -0.034 0.000 0.959 230 E CA -0.277 56.100 56.400 -0.038 0.000 0.783 230 E CB 2.163 31.834 29.700 -0.048 0.000 1.095 230 E HN 0.619 nan 8.360 nan 0.000 0.399 231 T N 1.708 116.237 114.554 -0.041 0.000 2.807 231 T HA 0.390 4.740 4.350 -0.000 0.000 0.279 231 T C -0.659 174.001 174.700 -0.067 0.000 0.993 231 T CA -0.530 61.547 62.100 -0.038 0.000 0.970 231 T CB 1.690 70.544 68.868 -0.023 0.000 0.950 231 T HN 0.166 nan 8.240 nan 0.000 0.441 232 V N 5.189 125.063 119.914 -0.067 0.000 2.638 232 V HA 0.743 4.863 4.120 -0.000 0.000 0.306 232 V C -1.404 174.637 176.094 -0.088 0.000 1.052 232 V CA -0.846 61.399 62.300 -0.092 0.000 0.885 232 V CB 1.723 33.493 31.823 -0.088 0.000 0.999 232 V HN 0.918 nan 8.190 nan 0.000 0.424 233 M N 6.449 125.979 119.600 -0.117 0.000 2.327 233 M HA 0.606 5.086 4.480 -0.000 0.000 0.298 233 M C -0.462 175.772 176.300 -0.111 0.000 1.065 233 M CA -0.442 54.797 55.300 -0.102 0.000 0.916 233 M CB 2.541 35.075 32.600 -0.109 0.000 1.630 233 M HN 0.488 nan 8.290 nan 0.000 0.442 234 R N 1.252 121.707 120.500 -0.076 0.000 2.389 234 R HA 0.404 4.744 4.340 -0.000 0.000 0.295 234 R C -0.517 175.755 176.300 -0.046 0.000 1.075 234 R CA -0.469 55.594 56.100 -0.062 0.000 1.005 234 R CB 0.730 31.003 30.300 -0.044 0.000 0.987 234 R HN 0.442 nan 8.270 nan 0.000 0.452 235 V N 3.916 123.811 119.914 -0.032 0.000 2.843 235 V HA -0.014 4.106 4.120 -0.000 0.000 0.305 235 V C 0.384 176.508 176.094 0.049 0.000 1.065 235 V CA -0.109 62.198 62.300 0.012 0.000 1.116 235 V CB 1.527 33.389 31.823 0.065 0.000 0.968 235 V HN 0.453 nan 8.190 nan 0.000 0.487 236 V N 3.948 123.911 119.914 0.082 0.000 2.572 236 V HA 0.056 4.176 4.120 -0.000 0.000 0.291 236 V C 0.656 176.798 176.094 0.080 0.000 1.039 236 V CA -0.146 62.199 62.300 0.074 0.000 1.055 236 V CB 1.086 32.962 31.823 0.089 0.000 0.969 236 V HN 0.919 nan 8.190 nan 0.000 0.482 237 D N 4.092 124.521 120.400 0.047 0.000 2.801 237 D HA 0.461 5.101 4.640 -0.000 0.000 0.232 237 D C 0.035 176.354 176.300 0.032 0.000 1.128 237 D CA 0.365 54.390 54.000 0.042 0.000 1.003 237 D CB -0.130 40.682 40.800 0.019 0.000 1.110 237 D HN 0.771 nan 8.370 nan 0.000 0.477 238 A N 1.596 124.449 122.820 0.055 0.000 2.594 238 A HA 0.484 4.804 4.320 -0.000 0.000 0.295 238 A C -0.779 176.843 177.584 0.064 0.000 1.071 238 A CA -0.865 51.193 52.037 0.034 0.000 0.685 238 A CB 1.207 20.215 19.000 0.013 0.000 1.285 238 A HN 0.249 nan 8.150 nan 0.000 0.405 239 E N 1.110 121.326 120.200 0.027 0.000 2.130 239 E HA 0.428 4.778 4.350 -0.000 0.000 0.284 239 E C -1.166 175.416 176.600 -0.030 0.000 1.018 239 E CA -0.435 55.975 56.400 0.018 0.000 0.817 239 E CB 0.472 30.168 29.700 -0.008 0.000 1.078 239 E HN 0.481 nan 8.360 nan 0.000 0.396 240 F N 6.376 126.168 119.950 -0.263 0.000 2.529 240 F HA 0.231 4.759 4.527 0.000 0.000 0.365 240 F C -1.889 173.723 175.800 -0.314 0.000 1.102 240 F CA -1.876 55.879 58.000 -0.407 0.000 1.271 240 F CB 0.395 38.801 39.000 -0.990 0.000 1.120 240 F HN 0.440 nan 8.300 nan 0.000 0.579 241 P HA -0.056 nan 4.420 nan 0.000 0.269 241 P C -0.888 176.209 177.300 -0.337 0.000 1.211 241 P CA 0.007 62.806 63.100 -0.502 0.000 0.781 241 P CB 0.418 31.790 31.700 -0.548 0.000 0.877 242 D N 1.139 121.411 120.400 -0.214 0.000 2.545 242 D HA -0.025 4.615 4.640 -0.000 0.000 0.227 242 D C 0.907 177.075 176.300 -0.220 0.000 1.150 242 D CA -0.139 53.744 54.000 -0.196 0.000 1.046 242 D CB -0.625 40.081 40.800 -0.157 0.000 1.098 242 D HN 0.326 nan 8.370 nan 0.000 0.502 243 Y N 1.283 121.503 120.300 -0.134 0.000 2.352 243 Y HA -0.040 4.510 4.550 0.000 0.000 0.292 243 Y C 1.704 177.579 175.900 -0.043 0.000 1.136 243 Y CA 0.719 58.757 58.100 -0.104 0.000 1.227 243 Y CB -0.352 38.090 38.460 -0.029 0.000 0.991 243 Y HN 0.010 nan 8.280 nan 0.000 0.545 244 K N 0.785 120.797 120.400 -0.646 0.000 2.211 244 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 244 K C 1.919 178.424 176.600 -0.158 0.000 1.047 244 K CA 1.734 57.797 56.287 -0.373 0.000 0.935 244 K CB -0.209 32.035 32.500 -0.426 0.000 0.728 244 K HN 0.375 nan 8.250 nan 0.000 0.452 245 R N 0.330 120.743 120.500 -0.145 0.000 2.237 245 R HA -0.065 4.275 4.340 -0.000 0.000 0.219 245 R C 1.963 178.234 176.300 -0.048 0.000 1.080 245 R CA 1.102 57.148 56.100 -0.089 0.000 0.995 245 R CB -0.104 30.143 30.300 -0.089 0.000 0.875 245 R HN 0.195 nan 8.270 nan 0.000 0.462 246 V N -1.995 117.907 119.914 -0.020 0.000 3.647 246 V HA 0.268 4.388 4.120 -0.000 0.000 0.279 246 V C 0.670 176.791 176.094 0.045 0.000 1.314 246 V CA 0.124 62.434 62.300 0.017 0.000 1.125 246 V CB -0.091 31.750 31.823 0.029 0.000 0.907 246 V HN 0.025 nan 8.190 nan 0.000 0.434 247 I N 3.327 123.919 120.570 0.038 0.000 2.281 247 I HA 0.375 4.545 4.170 -0.000 0.000 0.293 247 I C -2.250 173.869 176.117 0.003 0.000 1.085 247 I CA -1.809 59.528 61.300 0.062 0.000 1.257 247 I CB 0.926 38.972 38.000 0.077 0.000 1.430 247 I HN 0.150 nan 8.210 nan 0.000 0.489 248 P HA 0.068 nan 4.420 nan 0.000 0.269 248 P C 0.031 177.129 177.300 -0.337 0.000 1.209 248 P CA -0.007 62.952 63.100 -0.234 0.000 0.776 248 P CB 0.900 32.344 31.700 -0.426 0.000 0.876 249 E N -0.607 119.392 120.200 -0.334 0.000 2.400 249 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 249 E C 0.746 177.154 176.600 -0.320 0.000 1.012 249 E CA 0.591 56.846 56.400 -0.242 0.000 0.875 249 E CB 0.175 29.789 29.700 -0.145 0.000 0.859 249 E HN 0.622 nan 8.360 nan 0.000 0.498 250 T N -2.954 111.273 114.554 -0.545 0.000 2.804 250 T HA 0.688 5.038 4.350 -0.000 0.000 0.290 250 T C -0.941 173.251 174.700 -0.846 0.000 1.099 250 T CA -0.918 60.914 62.100 -0.446 0.000 1.011 250 T CB 1.107 69.872 68.868 -0.173 0.000 1.291 250 T HN -0.127 nan 8.240 nan 0.000 0.523 251 F N -0.306 119.656 119.950 0.021 0.000 2.631 251 F HA 0.588 5.115 4.527 0.000 0.000 0.308 251 F C 1.040 176.874 175.800 0.056 0.000 1.097 251 F CA -1.077 56.949 58.000 0.043 0.000 0.952 251 F CB 2.462 41.481 39.000 0.033 0.000 1.307 251 F HN 0.488 nan 8.300 nan 0.000 0.450 252 K N -0.049 120.504 120.400 0.256 0.000 2.334 252 K HA 0.241 4.561 4.320 -0.000 0.000 0.195 252 K C -0.215 176.490 176.600 0.174 0.000 1.045 252 K CA 0.596 56.983 56.287 0.166 0.000 1.004 252 K CB 0.676 33.248 32.500 0.121 0.000 0.837 252 K HN 0.596 nan 8.250 nan 0.000 0.510 253 T N 1.416 116.118 114.554 0.247 0.000 2.921 253 T HA 0.287 4.637 4.350 -0.000 0.000 0.297 253 T C -1.017 173.845 174.700 0.270 0.000 1.013 253 T CA -0.694 61.546 62.100 0.233 0.000 0.990 253 T CB 2.643 71.639 68.868 0.214 0.000 1.023 253 T HN -0.096 nan 8.240 nan 0.000 0.447 254 K N 2.601 123.102 120.400 0.168 0.000 2.397 254 K HA 0.716 5.036 4.320 -0.000 0.000 0.253 254 K C -1.630 175.031 176.600 0.102 0.000 0.932 254 K CA -0.670 55.668 56.287 0.085 0.000 0.795 254 K CB 1.632 34.143 32.500 0.019 0.000 1.159 254 K HN 0.383 nan 8.250 nan 0.000 0.424 255 V N 4.307 124.284 119.914 0.104 0.000 2.487 255 V HA 0.356 4.476 4.120 -0.000 0.000 0.298 255 V C -0.631 175.483 176.094 0.033 0.000 1.028 255 V CA -0.891 61.472 62.300 0.104 0.000 0.860 255 V CB 1.844 33.789 31.823 0.203 0.000 0.991 255 V HN 0.531 nan 8.190 nan 0.000 0.427 256 V N 5.660 125.589 119.914 0.026 0.000 2.435 256 V HA 0.712 4.832 4.120 -0.000 0.000 0.290 256 V C -0.278 175.828 176.094 0.020 0.000 1.030 256 V CA -0.439 61.864 62.300 0.005 0.000 0.881 256 V CB 1.777 33.599 31.823 -0.003 0.000 0.983 256 V HN 0.615 nan 8.190 nan 0.000 0.445 257 V N 4.020 123.943 119.914 0.014 0.000 3.048 257 V HA 0.549 4.669 4.120 -0.000 0.000 0.303 257 V C -0.016 176.086 176.094 0.013 0.000 1.214 257 V CA -0.317 61.999 62.300 0.026 0.000 0.984 257 V CB 2.763 34.618 31.823 0.053 0.000 1.054 257 V HN 0.990 nan 8.190 nan 0.000 0.430 258 S N 5.165 120.873 115.700 0.014 0.000 2.537 258 S HA 0.153 4.623 4.470 -0.000 0.000 0.286 258 S C 1.164 175.767 174.600 0.005 0.000 1.299 258 S CA 0.837 59.040 58.200 0.006 0.000 1.067 258 S CB 0.560 63.764 63.200 0.006 0.000 0.864 258 S HN 0.906 nan 8.310 nan 0.000 0.494 259 R N 3.782 124.280 120.500 -0.003 0.000 2.073 259 R HA -0.104 4.236 4.340 -0.000 0.000 0.234 259 R C 2.326 178.620 176.300 -0.010 0.000 1.134 259 R CA 1.902 57.996 56.100 -0.009 0.000 0.952 259 R CB -0.341 29.950 30.300 -0.015 0.000 0.850 259 R HN 0.838 nan 8.270 nan 0.000 0.433 260 K N 0.663 121.057 120.400 -0.010 0.000 2.032 260 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 260 K C 2.005 178.602 176.600 -0.005 0.000 1.048 260 K CA 2.075 58.355 56.287 -0.012 0.000 0.927 260 K CB -0.156 32.338 32.500 -0.011 0.000 0.712 260 K HN 0.294 nan 8.250 nan 0.000 0.441 261 E N 0.376 120.577 120.200 0.001 0.000 2.058 261 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 261 E C 2.116 178.724 176.600 0.015 0.000 0.997 261 E CA 1.265 57.669 56.400 0.007 0.000 0.801 261 E CB -0.122 29.585 29.700 0.012 0.000 0.746 261 E HN 0.282 nan 8.360 nan 0.000 0.450 262 L N 1.553 122.791 121.223 0.026 0.000 2.056 262 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 262 L C 2.596 179.484 176.870 0.030 0.000 1.078 262 L CA 1.718 56.586 54.840 0.046 0.000 0.749 262 L CB -0.614 41.486 42.059 0.068 0.000 0.901 262 L HN 0.077 nan 8.230 nan 0.000 0.433 263 R N -0.199 120.307 120.500 0.009 0.000 2.103 263 R HA -0.218 4.122 4.340 -0.000 0.000 0.242 263 R C 2.088 178.383 176.300 -0.009 0.000 1.142 263 R CA 2.147 58.244 56.100 -0.006 0.000 0.960 263 R CB -0.260 30.026 30.300 -0.023 0.000 0.858 263 R HN 0.548 nan 8.270 nan 0.000 0.439 264 E N -0.393 119.801 120.200 -0.009 0.000 2.106 264 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 264 E C 1.983 178.574 176.600 -0.015 0.000 0.984 264 E CA 1.274 57.666 56.400 -0.013 0.000 0.806 264 E CB -0.054 29.638 29.700 -0.012 0.000 0.750 264 E HN 0.245 nan 8.360 nan 0.000 0.458 265 S N 0.534 116.228 115.700 -0.011 0.000 2.355 265 S HA -0.097 4.372 4.470 -0.000 0.000 0.222 265 S C 1.992 176.573 174.600 -0.032 0.000 1.031 265 S CA 0.708 58.894 58.200 -0.023 0.000 0.993 265 S CB -0.138 63.050 63.200 -0.019 0.000 0.859 265 S HN 0.147 nan 8.310 nan 0.000 0.453 266 L N 1.146 122.362 121.223 -0.013 0.000 2.042 266 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 266 L C 2.718 179.575 176.870 -0.021 0.000 1.076 266 L CA 1.482 56.316 54.840 -0.009 0.000 0.749 266 L CB -0.456 41.618 42.059 0.026 0.000 0.893 266 L HN 0.278 nan 8.230 nan 0.000 0.432 267 K N -0.218 120.170 120.400 -0.021 0.000 2.063 267 K HA -0.193 4.127 4.320 -0.000 0.000 0.208 267 K C 2.253 178.833 176.600 -0.032 0.000 1.048 267 K CA 1.400 57.671 56.287 -0.027 0.000 0.928 267 K CB -0.160 32.324 32.500 -0.026 0.000 0.713 267 K HN 0.325 nan 8.250 nan 0.000 0.442 268 R N 0.500 120.981 120.500 -0.033 0.000 2.073 268 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 268 R C 2.462 178.737 176.300 -0.041 0.000 1.134 268 R CA 1.722 57.801 56.100 -0.035 0.000 0.952 268 R CB -0.587 29.693 30.300 -0.033 0.000 0.850 268 R HN 0.198 nan 8.270 nan 0.000 0.433 269 V N -1.878 118.006 119.914 -0.049 0.000 2.871 269 V HA -0.064 4.056 4.120 -0.000 0.000 0.256 269 V C 1.963 178.028 176.094 -0.049 0.000 1.082 269 V CA 1.301 63.568 62.300 -0.055 0.000 1.105 269 V CB -0.492 31.283 31.823 -0.080 0.000 0.713 269 V HN 0.202 nan 8.190 nan 0.000 0.473 270 M N 0.035 119.608 119.600 -0.045 0.000 2.374 270 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 270 M C 2.133 178.399 176.300 -0.057 0.000 1.067 270 M CA 1.290 56.561 55.300 -0.048 0.000 1.103 270 M CB -0.348 32.226 32.600 -0.043 0.000 1.402 270 M HN 0.351 nan 8.290 nan 0.000 0.444 271 V N 0.519 120.401 119.914 -0.054 0.000 2.324 271 V HA -0.290 3.829 4.120 -0.000 0.000 0.250 271 V C 2.182 178.229 176.094 -0.078 0.000 1.060 271 V CA 1.489 63.751 62.300 -0.064 0.000 1.042 271 V CB -0.529 31.264 31.823 -0.051 0.000 0.650 271 V HN 0.423 nan 8.190 nan 0.000 0.450 272 I N -0.347 120.188 120.570 -0.059 0.000 2.731 272 I HA 0.058 4.228 4.170 -0.000 0.000 0.260 272 I C 2.595 178.682 176.117 -0.050 0.000 1.138 272 I CA 1.397 62.667 61.300 -0.050 0.000 1.461 272 I CB -1.456 36.532 38.000 -0.020 0.000 1.128 272 I HN 0.269 nan 8.210 nan 0.000 0.438 273 A N 0.367 123.158 122.820 -0.048 0.000 1.933 273 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 273 A C 2.463 180.013 177.584 -0.057 0.000 1.175 273 A CA 1.915 53.925 52.037 -0.044 0.000 0.628 273 A CB -0.662 18.314 19.000 -0.041 0.000 0.814 273 A HN 0.376 nan 8.150 nan 0.000 0.444 274 S N -0.422 115.236 115.700 -0.071 0.000 2.474 274 S HA -0.054 4.416 4.470 -0.000 0.000 0.235 274 S C 1.817 176.363 174.600 -0.090 0.000 0.997 274 S CA 0.784 58.937 58.200 -0.079 0.000 0.949 274 S CB -0.096 63.056 63.200 -0.080 0.000 0.766 274 S HN 0.458 nan 8.310 nan 0.000 0.517 275 K N 0.308 120.643 120.400 -0.109 0.000 2.211 275 K HA 0.044 4.364 4.320 -0.000 0.000 0.203 275 K C 1.670 178.248 176.600 -0.037 0.000 1.050 275 K CA 1.128 57.337 56.287 -0.130 0.000 0.945 275 K CB -0.056 32.316 32.500 -0.212 0.000 0.732 275 K HN 0.503 nan 8.250 nan 0.000 0.451 276 G N -0.483 108.304 108.800 -0.021 0.000 4.073 276 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.183 276 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.183 276 G C 1.118 176.012 174.900 -0.010 0.000 0.873 276 G CA 0.507 45.606 45.100 -0.002 0.000 0.937 276 G HN 0.252 nan 8.290 nan 0.000 0.344 277 S N 1.188 116.884 115.700 -0.007 0.000 2.399 277 S HA -0.019 4.451 4.470 -0.000 0.000 0.231 277 S C 1.110 175.694 174.600 -0.028 0.000 1.022 277 S CA 1.720 59.914 58.200 -0.010 0.000 0.983 277 S CB -0.267 62.931 63.200 -0.003 0.000 0.803 277 S HN 0.540 nan 8.310 nan 0.000 0.480 278 E N 0.844 121.018 120.200 -0.043 0.000 2.328 278 E HA -0.163 4.187 4.350 -0.000 0.000 0.233 278 E C -0.211 176.357 176.600 -0.055 0.000 1.219 278 E CA 1.075 57.432 56.400 -0.071 0.000 0.717 278 E CB -2.283 27.354 29.700 -0.105 0.000 1.210 278 E HN 0.599 nan 8.360 nan 0.000 0.381 279 S N -0.831 114.856 115.700 -0.021 0.000 2.546 279 S HA 0.605 5.075 4.470 -0.000 0.000 0.272 279 S C -1.257 173.359 174.600 0.028 0.000 1.140 279 S CA -0.313 57.896 58.200 0.015 0.000 0.920 279 S CB 2.465 65.670 63.200 0.009 0.000 1.083 279 S HN 0.273 nan 8.310 nan 0.000 0.476 280 V N 4.883 124.848 119.914 0.085 0.000 2.588 280 V HA 0.654 4.774 4.120 -0.000 0.000 0.304 280 V C -0.668 175.494 176.094 0.114 0.000 1.042 280 V CA -0.713 61.612 62.300 0.042 0.000 0.877 280 V CB 1.576 33.392 31.823 -0.011 0.000 0.996 280 V HN 0.981 nan 8.190 nan 0.000 0.425 281 K N 5.786 126.199 120.400 0.020 0.000 2.234 281 K HA 0.477 4.797 4.320 -0.000 0.000 0.277 281 K C -1.451 175.148 176.600 -0.003 0.000 1.038 281 K CA -0.445 55.883 56.287 0.069 0.000 0.888 281 K CB 0.705 33.216 32.500 0.017 0.000 1.091 281 K HN 0.580 nan 8.250 nan 0.000 0.467 282 F N 3.006 122.990 119.950 0.056 0.000 2.405 282 F HA 0.216 4.742 4.527 -0.001 0.000 0.355 282 F C 0.173 175.956 175.800 -0.028 0.000 1.121 282 F CA -0.415 57.607 58.000 0.036 0.000 1.112 282 F CB 1.400 40.447 39.000 0.077 0.000 1.126 282 F HN 0.461 nan 8.300 nan 0.000 0.481 283 E N 4.868 125.120 120.200 0.087 0.000 2.121 283 E HA 0.365 4.715 4.350 -0.000 0.000 0.255 283 E C -0.749 175.872 176.600 0.036 0.000 0.906 283 E CA -0.268 56.153 56.400 0.035 0.000 0.745 283 E CB 1.147 30.851 29.700 0.007 0.000 1.155 283 E HN 0.476 nan 8.360 nan 0.000 0.424 284 I N 3.093 123.668 120.570 0.009 0.000 2.325 284 I HA 0.171 4.341 4.170 -0.000 0.000 0.291 284 I C 0.496 176.612 176.117 -0.002 0.000 1.019 284 I CA 0.006 61.306 61.300 0.000 0.000 1.302 284 I CB 0.715 38.668 38.000 -0.078 0.000 1.401 284 I HN 0.427 nan 8.210 nan 0.000 0.485 285 E N 3.488 123.696 120.200 0.014 0.000 2.447 285 E HA 0.213 4.563 4.350 -0.000 0.000 0.251 285 E C 0.298 176.910 176.600 0.019 0.000 0.910 285 E CA -0.717 55.690 56.400 0.012 0.000 0.841 285 E CB 1.008 30.715 29.700 0.011 0.000 1.403 285 E HN 0.394 nan 8.360 nan 0.000 0.400 286 E N 0.700 120.910 120.200 0.017 0.000 2.077 286 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 286 E C 0.600 177.214 176.600 0.023 0.000 0.989 286 E CA 1.862 58.274 56.400 0.020 0.000 0.800 286 E CB -0.037 29.673 29.700 0.017 0.000 0.746 286 E HN 0.454 nan 8.360 nan 0.000 0.452 287 N N -1.459 117.254 118.700 0.022 0.000 2.193 287 N HA 0.144 4.884 4.740 -0.000 0.000 0.210 287 N C -0.855 174.670 175.510 0.026 0.000 1.215 287 N CA 0.377 53.440 53.050 0.022 0.000 0.901 287 N CB 1.984 40.481 38.487 0.017 0.000 1.060 287 N HN 0.038 nan 8.380 nan 0.000 0.508 288 V N -2.141 117.790 119.914 0.027 0.000 3.159 288 V HA 0.611 4.731 4.120 -0.000 0.000 0.308 288 V C -1.259 174.859 176.094 0.040 0.000 1.190 288 V CA -1.041 61.277 62.300 0.030 0.000 1.037 288 V CB 2.444 34.278 31.823 0.018 0.000 1.060 288 V HN -0.048 nan 8.190 nan 0.000 0.437 289 M N 2.371 122.001 119.600 0.050 0.000 2.263 289 M HA 0.655 5.135 4.480 -0.000 0.000 0.295 289 M C -0.904 175.412 176.300 0.027 0.000 1.028 289 M CA -0.541 54.801 55.300 0.069 0.000 0.921 289 M CB 2.013 34.700 32.600 0.144 0.000 1.601 289 M HN 0.865 nan 8.290 nan 0.000 0.440 290 R N 4.570 125.070 120.500 0.000 0.000 2.312 290 R HA 0.647 4.987 4.340 -0.000 0.000 0.311 290 R C -1.192 175.032 176.300 -0.126 0.000 1.004 290 R CA -0.599 55.473 56.100 -0.047 0.000 0.902 290 R CB 1.177 31.456 30.300 -0.035 0.000 1.073 290 R HN 0.663 nan 8.270 nan 0.000 0.457 291 L N 3.579 124.687 121.223 -0.192 0.000 2.296 291 L HA 0.545 4.885 4.340 -0.000 0.000 0.286 291 L C -0.570 176.183 176.870 -0.195 0.000 1.023 291 L CA -1.015 53.623 54.840 -0.336 0.000 0.812 291 L CB 1.689 43.503 42.059 -0.408 0.000 1.223 291 L HN 0.338 nan 8.230 nan 0.000 0.421 292 V N 2.096 121.908 119.914 -0.170 0.000 2.531 292 V HA 0.486 4.606 4.120 -0.000 0.000 0.301 292 V C -0.251 175.800 176.094 -0.073 0.000 1.034 292 V CA -0.377 61.867 62.300 -0.093 0.000 0.865 292 V CB 2.068 33.855 31.823 -0.060 0.000 0.995 292 V HN 0.831 nan 8.190 nan 0.000 0.424 293 S N 4.304 119.972 115.700 -0.053 0.000 2.536 293 S HA 0.767 5.237 4.470 -0.000 0.000 0.287 293 S C -1.145 173.445 174.600 -0.017 0.000 1.101 293 S CA -0.750 57.430 58.200 -0.033 0.000 0.950 293 S CB 1.497 64.675 63.200 -0.038 0.000 1.056 293 S HN 0.724 nan 8.310 nan 0.000 0.481 294 K N 1.548 121.945 120.400 -0.005 0.000 2.422 294 K HA 0.556 4.876 4.320 -0.000 0.000 0.251 294 K C -1.388 175.224 176.600 0.021 0.000 0.933 294 K CA -0.790 55.502 56.287 0.008 0.000 0.798 294 K CB 2.002 34.505 32.500 0.005 0.000 1.238 294 K HN 0.457 nan 8.250 nan 0.000 0.428 295 S N 2.384 118.110 115.700 0.044 0.000 2.519 295 S HA 0.372 4.842 4.470 -0.000 0.000 0.309 295 S C -2.074 172.568 174.600 0.069 0.000 1.100 295 S CA -1.780 56.465 58.200 0.076 0.000 1.059 295 S CB 1.160 64.444 63.200 0.141 0.000 1.008 295 S HN 0.298 nan 8.310 nan 0.000 0.478 296 P HA -0.110 nan 4.420 nan 0.000 0.216 296 P C 0.487 177.783 177.300 -0.007 0.000 1.157 296 P CA 1.430 64.539 63.100 0.016 0.000 0.880 296 P CB 0.142 31.848 31.700 0.009 0.000 0.791 297 D N -3.543 116.849 120.400 -0.013 0.000 2.355 297 D HA 0.036 4.676 4.640 -0.000 0.000 0.206 297 D C 1.497 177.614 176.300 -0.305 0.000 1.010 297 D CA 0.686 54.577 54.000 -0.181 0.000 0.875 297 D CB 0.110 40.747 40.800 -0.272 0.000 0.966 297 D HN 0.256 nan 8.370 nan 0.000 0.512 298 Y N 0.479 120.772 120.300 -0.010 0.000 2.559 298 Y HA 0.330 4.880 4.550 -0.000 0.000 0.279 298 Y C 1.559 177.452 175.900 -0.012 0.000 1.117 298 Y CA 0.502 58.596 58.100 -0.011 0.000 1.263 298 Y CB 1.200 39.653 38.460 -0.012 0.000 1.230 298 Y HN -0.043 nan 8.280 nan 0.000 0.528 299 G N -0.261 108.620 108.800 0.134 0.000 2.339 299 G HA2 0.276 4.236 3.960 -0.000 0.000 0.275 299 G HA3 0.276 4.236 3.960 -0.000 0.000 0.275 299 G C -1.689 173.240 174.900 0.049 0.000 1.323 299 G CA -1.020 44.122 45.100 0.070 0.000 0.927 299 G HN -0.046 nan 8.290 nan 0.000 0.486 300 E N -1.856 118.360 120.200 0.026 0.000 2.393 300 E HA 0.681 5.031 4.350 -0.000 0.000 0.273 300 E C -1.262 175.337 176.600 -0.001 0.000 0.918 300 E CA -0.807 55.598 56.400 0.009 0.000 0.773 300 E CB 3.292 32.993 29.700 0.002 0.000 1.275 300 E HN 0.879 nan 8.360 nan 0.000 0.451 301 V N 1.824 121.730 119.914 -0.014 0.000 2.841 301 V HA 0.652 4.772 4.120 -0.000 0.000 0.310 301 V C -1.687 174.385 176.094 -0.035 0.000 1.090 301 V CA -0.562 61.724 62.300 -0.024 0.000 0.930 301 V CB 1.946 33.752 31.823 -0.030 0.000 1.014 301 V HN 0.462 nan 8.190 nan 0.000 0.425 302 V N 5.073 124.966 119.914 -0.035 0.000 2.577 302 V HA 0.581 4.701 4.120 -0.000 0.000 0.303 302 V C -1.111 174.956 176.094 -0.044 0.000 1.042 302 V CA -0.497 61.777 62.300 -0.044 0.000 0.872 302 V CB 1.917 33.720 31.823 -0.033 0.000 0.998 302 V HN 0.983 nan 8.190 nan 0.000 0.423 303 D N 2.776 123.140 120.400 -0.060 0.000 2.629 303 D HA 0.431 5.071 4.640 -0.000 0.000 0.250 303 D C -0.711 175.559 176.300 -0.050 0.000 1.126 303 D CA -0.325 53.644 54.000 -0.052 0.000 0.852 303 D CB 2.061 42.826 40.800 -0.058 0.000 1.335 303 D HN 0.678 nan 8.370 nan 0.000 0.518 304 E N 2.995 123.177 120.200 -0.030 0.000 2.145 304 E HA 0.522 4.872 4.350 -0.000 0.000 0.270 304 E C -1.057 175.538 176.600 -0.008 0.000 0.906 304 E CA -0.919 55.469 56.400 -0.019 0.000 0.761 304 E CB 1.213 30.905 29.700 -0.012 0.000 1.116 304 E HN 0.303 nan 8.360 nan 0.000 0.408 305 V N 1.401 121.317 119.914 0.004 0.000 2.769 305 V HA 0.531 4.651 4.120 -0.000 0.000 0.312 305 V C -0.335 175.774 176.094 0.026 0.000 1.061 305 V CA -0.972 61.337 62.300 0.015 0.000 0.931 305 V CB 1.851 33.688 31.823 0.023 0.000 1.010 305 V HN 0.601 nan 8.190 nan 0.000 0.433 306 E N 2.703 122.917 120.200 0.022 0.000 2.338 306 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 306 E C -0.178 176.441 176.600 0.032 0.000 1.029 306 E CA 0.058 56.472 56.400 0.024 0.000 0.872 306 E CB 1.782 31.491 29.700 0.016 0.000 1.015 306 E HN 1.088 nan 8.360 nan 0.000 0.417 307 V N -0.178 119.758 119.914 0.036 0.000 3.114 307 V HA 0.394 4.514 4.120 -0.000 0.000 0.308 307 V C -0.859 175.256 176.094 0.035 0.000 1.168 307 V CA -1.187 61.138 62.300 0.043 0.000 1.015 307 V CB 2.413 34.275 31.823 0.065 0.000 1.050 307 V HN 0.378 nan 8.190 nan 0.000 0.433 308 Q N 2.733 122.553 119.800 0.033 0.000 2.303 308 Q HA 0.517 4.857 4.340 -0.000 0.000 0.257 308 Q C -0.877 175.146 176.000 0.038 0.000 0.941 308 Q CA -0.258 55.562 55.803 0.029 0.000 0.931 308 Q CB 1.951 30.701 28.738 0.020 0.000 1.215 308 Q HN 0.779 nan 8.270 nan 0.000 0.437 309 K N 3.046 123.470 120.400 0.040 0.000 2.426 309 K HA 0.347 4.667 4.320 -0.000 0.000 0.254 309 K C -0.991 175.636 176.600 0.046 0.000 0.936 309 K CA -0.237 56.081 56.287 0.052 0.000 0.801 309 K CB 1.430 33.962 32.500 0.054 0.000 1.139 309 K HN 0.584 nan 8.250 nan 0.000 0.424 310 E N 1.496 121.727 120.200 0.053 0.000 2.202 310 E HA 0.561 4.911 4.350 -0.000 0.000 0.272 310 E C 0.116 176.755 176.600 0.065 0.000 0.951 310 E CA -0.470 55.960 56.400 0.051 0.000 0.813 310 E CB 1.469 31.198 29.700 0.049 0.000 1.151 310 E HN 0.927 nan 8.360 nan 0.000 0.398 311 G N 2.376 111.210 108.800 0.057 0.000 2.484 311 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.225 311 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.225 311 G C -0.646 174.285 174.900 0.053 0.000 1.250 311 G CA -0.733 44.405 45.100 0.063 0.000 0.926 311 G HN 0.485 nan 8.290 nan 0.000 0.581 312 E N 1.609 121.843 120.200 0.057 0.000 2.331 312 E HA 0.371 4.721 4.350 -0.000 0.000 0.272 312 E C -0.152 176.462 176.600 0.023 0.000 1.036 312 E CA -0.456 55.967 56.400 0.038 0.000 0.864 312 E CB 0.678 30.403 29.700 0.041 0.000 1.035 312 E HN 0.416 nan 8.360 nan 0.000 0.408 313 D N 1.310 121.717 120.400 0.010 0.000 2.423 313 D HA 0.215 4.855 4.640 -0.000 0.000 0.238 313 D C -0.252 176.033 176.300 -0.024 0.000 1.142 313 D CA 0.070 54.066 54.000 -0.006 0.000 0.884 313 D CB 0.532 41.331 40.800 -0.002 0.000 1.199 313 D HN 0.067 nan 8.370 nan 0.000 0.438 314 L N 1.431 122.620 121.223 -0.057 0.000 2.513 314 L HA 0.377 4.717 4.340 -0.000 0.000 0.261 314 L C -1.633 175.186 176.870 -0.085 0.000 0.945 314 L CA -0.677 54.110 54.840 -0.087 0.000 0.848 314 L CB 2.185 44.139 42.059 -0.175 0.000 1.334 314 L HN 0.142 nan 8.230 nan 0.000 0.407 315 V N 5.945 125.827 119.914 -0.054 0.000 2.417 315 V HA 0.668 4.788 4.120 -0.000 0.000 0.291 315 V C -0.353 175.717 176.094 -0.039 0.000 1.024 315 V CA -0.397 61.886 62.300 -0.028 0.000 0.861 315 V CB 1.480 33.296 31.823 -0.012 0.000 0.985 315 V HN 0.726 nan 8.190 nan 0.000 0.436 316 I N 3.519 124.080 120.570 -0.016 0.000 2.743 316 I HA 0.786 4.956 4.170 -0.000 0.000 0.292 316 I C -0.699 175.394 176.117 -0.040 0.000 1.343 316 I CA -0.413 60.843 61.300 -0.074 0.000 1.038 316 I CB 1.934 39.868 38.000 -0.111 0.000 1.311 316 I HN 0.697 nan 8.210 nan 0.000 0.426 317 A N 6.241 128.930 122.820 -0.219 0.000 2.340 317 A HA 0.909 5.229 4.320 -0.000 0.000 0.331 317 A C -1.671 175.646 177.584 -0.445 0.000 1.140 317 A CA -0.272 51.693 52.037 -0.120 0.000 0.801 317 A CB 0.888 19.861 19.000 -0.045 0.000 1.234 317 A HN 0.553 nan 8.150 nan 0.000 0.469 318 F N 0.253 120.343 119.950 0.232 0.000 2.613 318 F HA 0.386 4.913 4.527 0.001 0.000 0.314 318 F C 0.337 176.215 175.800 0.130 0.000 1.075 318 F CA -0.918 57.203 58.000 0.202 0.000 0.945 318 F CB 1.583 40.728 39.000 0.242 0.000 1.310 318 F HN 0.568 nan 8.300 nan 0.000 0.467 319 N N 3.864 122.727 118.700 0.271 0.000 2.438 319 N HA 0.111 4.851 4.740 -0.000 0.000 0.267 319 N C -1.705 173.849 175.510 0.075 0.000 1.222 319 N CA -1.724 51.330 53.050 0.007 0.000 0.930 319 N CB 0.975 39.230 38.487 -0.387 0.000 1.083 319 N HN 0.215 nan 8.380 nan 0.000 0.476 320 P HA -0.117 nan 4.420 nan 0.000 0.221 320 P C 1.033 178.355 177.300 0.036 0.000 1.150 320 P CA 1.387 64.543 63.100 0.093 0.000 0.800 320 P CB 0.163 31.894 31.700 0.051 0.000 0.787 321 K N -0.123 120.233 120.400 -0.074 0.000 2.097 321 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 321 K C 1.897 178.556 176.600 0.098 0.000 1.049 321 K CA 1.543 57.796 56.287 -0.057 0.000 0.933 321 K CB -1.962 30.439 32.500 -0.165 0.000 0.717 321 K HN 0.027 nan 8.250 nan 0.000 0.442 322 F N 0.892 120.885 119.950 0.071 0.000 2.234 322 F HA 0.025 4.552 4.527 -0.000 0.000 0.299 322 F C 2.108 177.945 175.800 0.062 0.000 1.087 322 F CA 0.031 58.089 58.000 0.096 0.000 1.340 322 F CB -0.301 38.769 39.000 0.116 0.000 1.031 322 F HN 0.032 nan 8.300 nan 0.000 0.500 323 I N -0.312 120.381 120.570 0.205 0.000 2.277 323 I HA -0.169 4.001 4.170 -0.000 0.000 0.243 323 I C 2.405 178.548 176.117 0.043 0.000 1.094 323 I CA 1.101 62.442 61.300 0.069 0.000 1.393 323 I CB -1.291 36.742 38.000 0.055 0.000 1.078 323 I HN 0.075 nan 8.210 nan 0.000 0.417 324 E N 1.776 122.009 120.200 0.054 0.000 2.085 324 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 324 E C 1.710 178.290 176.600 -0.033 0.000 0.994 324 E CA 1.687 58.091 56.400 0.006 0.000 0.801 324 E CB -0.140 29.563 29.700 0.005 0.000 0.743 324 E HN 0.320 nan 8.360 nan 0.000 0.453 325 D N -0.417 119.993 120.400 0.016 0.000 2.116 325 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 325 D C 2.032 178.188 176.300 -0.239 0.000 0.998 325 D CA 1.561 55.520 54.000 -0.068 0.000 0.836 325 D CB -0.401 40.484 40.800 0.142 0.000 0.951 325 D HN 0.141 nan 8.370 nan 0.000 0.449 326 V N 1.083 120.915 119.914 -0.138 0.000 2.287 326 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 326 V C 2.655 178.567 176.094 -0.302 0.000 1.053 326 V CA 1.310 63.420 62.300 -0.318 0.000 1.027 326 V CB -0.513 31.169 31.823 -0.236 0.000 0.646 326 V HN 0.224 nan 8.190 nan 0.000 0.447 327 L N -0.621 120.495 121.223 -0.179 0.000 2.083 327 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 327 L C 2.536 179.309 176.870 -0.162 0.000 1.083 327 L CA 1.589 56.348 54.840 -0.135 0.000 0.752 327 L CB -0.764 41.246 42.059 -0.083 0.000 0.899 327 L HN 0.297 nan 8.230 nan 0.000 0.433 328 K N -0.400 119.861 120.400 -0.232 0.000 2.160 328 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 328 K C 1.637 177.944 176.600 -0.488 0.000 1.047 328 K CA 1.659 57.727 56.287 -0.365 0.000 0.930 328 K CB -0.258 31.940 32.500 -0.503 0.000 0.720 328 K HN 0.449 nan 8.250 nan 0.000 0.450 329 H N -0.851 118.043 119.070 -0.293 0.000 2.551 329 H HA 0.248 4.804 4.556 -0.000 0.000 0.271 329 H C 0.055 175.368 175.328 -0.025 0.000 0.984 329 H CA -0.129 55.799 56.048 -0.200 0.000 1.164 329 H CB 0.368 29.959 29.762 -0.284 0.000 1.437 329 H HN -0.006 nan 8.280 nan 0.000 0.550 330 I N 1.108 121.722 120.570 0.074 0.000 2.440 330 I HA 0.057 4.227 4.170 -0.000 0.000 0.294 330 I C 0.663 176.851 176.117 0.118 0.000 0.995 330 I CA 0.094 61.527 61.300 0.221 0.000 1.306 330 I CB 1.798 39.880 38.000 0.138 0.000 1.407 330 I HN 0.305 nan 8.210 nan 0.000 0.501 331 E N 2.286 122.594 120.200 0.180 0.000 2.431 331 E HA 0.028 4.378 4.350 -0.000 0.000 0.200 331 E C 0.400 177.043 176.600 0.072 0.000 0.995 331 E CA 0.103 56.558 56.400 0.092 0.000 0.915 331 E CB 0.379 30.132 29.700 0.088 0.000 0.930 331 E HN 0.768 nan 8.360 nan 0.000 0.496 332 T N -0.456 114.149 114.554 0.085 0.000 2.860 332 T HA 0.106 4.456 4.350 -0.000 0.000 0.299 332 T C 0.931 175.641 174.700 0.018 0.000 1.045 332 T CA -0.342 61.782 62.100 0.041 0.000 1.071 332 T CB 1.483 70.365 68.868 0.023 0.000 0.985 332 T HN -0.047 nan 8.240 nan 0.000 0.537 333 E N 0.378 120.583 120.200 0.009 0.000 2.208 333 E HA -0.012 4.338 4.350 -0.000 0.000 0.193 333 E C 0.472 177.071 176.600 -0.003 0.000 0.988 333 E CA 0.672 57.073 56.400 0.001 0.000 0.828 333 E CB 0.229 29.930 29.700 0.001 0.000 0.763 333 E HN 0.604 nan 8.360 nan 0.000 0.478 334 E N 0.545 120.741 120.200 -0.006 0.000 2.227 334 E HA 0.416 4.765 4.350 -0.000 0.000 0.268 334 E C -0.396 176.190 176.600 -0.024 0.000 0.907 334 E CA -0.696 55.697 56.400 -0.012 0.000 0.786 334 E CB 2.269 31.962 29.700 -0.012 0.000 1.191 334 E HN 0.025 nan 8.360 nan 0.000 0.411 335 I N -2.274 118.278 120.570 -0.030 0.000 3.042 335 I HA 0.513 4.683 4.170 -0.000 0.000 0.310 335 I C -0.426 175.652 176.117 -0.065 0.000 1.117 335 I CA -0.769 60.500 61.300 -0.052 0.000 1.003 335 I CB 2.065 40.035 38.000 -0.050 0.000 1.228 335 I HN 0.177 nan 8.210 nan 0.000 0.443 336 E N 4.133 124.271 120.200 -0.102 0.000 2.195 336 E HA 0.614 4.964 4.350 -0.000 0.000 0.271 336 E C -1.352 175.122 176.600 -0.209 0.000 0.923 336 E CA -0.886 55.433 56.400 -0.134 0.000 0.790 336 E CB 2.265 31.869 29.700 -0.160 0.000 1.155 336 E HN 0.541 nan 8.360 nan 0.000 0.402 337 M N 2.477 121.934 119.600 -0.239 0.000 2.243 337 M HA 0.365 4.845 4.480 -0.000 0.000 0.324 337 M C -0.724 175.191 176.300 -0.642 0.000 1.031 337 M CA -0.641 54.379 55.300 -0.467 0.000 0.949 337 M CB 1.393 33.782 32.600 -0.352 0.000 1.615 337 M HN 0.283 nan 8.290 nan 0.000 0.430 338 N N 3.408 121.532 118.700 -0.960 0.000 2.354 338 N HA 0.654 5.394 4.740 -0.000 0.000 0.287 338 N C -1.699 173.330 175.510 -0.801 0.000 1.016 338 N CA -0.154 52.319 53.050 -0.963 0.000 0.871 338 N CB 2.134 39.573 38.487 -1.747 0.000 1.299 338 N HN 0.397 nan 8.380 nan 0.000 0.482 339 F N -0.032 119.960 119.950 0.069 0.000 2.603 339 F HA 0.469 4.996 4.527 0.000 0.000 0.317 339 F C 1.048 177.052 175.800 0.340 0.000 1.066 339 F CA -0.790 57.356 58.000 0.242 0.000 0.941 339 F CB 1.337 40.419 39.000 0.137 0.000 1.291 339 F HN 0.084 nan 8.300 nan 0.000 0.472 340 V N -0.893 119.285 119.914 0.440 0.000 2.939 340 V HA 0.246 4.366 4.120 -0.000 0.000 0.228 340 V C -0.484 175.720 176.094 0.183 0.000 1.162 340 V CA 0.576 63.021 62.300 0.241 0.000 1.222 340 V CB 0.214 32.107 31.823 0.117 0.000 1.053 340 V HN 0.653 nan 8.190 nan 0.000 0.504 341 D N -1.187 119.311 120.400 0.164 0.000 2.579 341 D HA 0.293 4.933 4.640 -0.000 0.000 0.257 341 D C 0.812 177.165 176.300 0.089 0.000 1.176 341 D CA 0.483 54.540 54.000 0.096 0.000 0.914 341 D CB 1.801 42.639 40.800 0.063 0.000 1.431 341 D HN 0.163 nan 8.370 nan 0.000 0.454 342 S N -1.388 114.333 115.700 0.035 0.000 2.469 342 S HA -0.149 4.321 4.470 -0.000 0.000 0.238 342 S C 1.305 175.901 174.600 -0.007 0.000 0.998 342 S CA 1.728 59.925 58.200 -0.004 0.000 0.957 342 S CB -0.501 62.687 63.200 -0.020 0.000 0.764 342 S HN 0.552 nan 8.310 nan 0.000 0.514 343 T N -1.890 112.679 114.554 0.024 0.000 3.092 343 T HA 0.417 4.767 4.350 -0.000 0.000 0.258 343 T C 0.350 175.083 174.700 0.055 0.000 1.031 343 T CA -0.428 61.688 62.100 0.027 0.000 0.925 343 T CB 0.107 68.988 68.868 0.021 0.000 1.036 343 T HN 0.208 nan 8.240 nan 0.000 0.544 344 S N 2.743 118.498 115.700 0.091 0.000 2.578 344 S HA 0.639 5.109 4.470 -0.000 0.000 0.301 344 S C -2.689 172.023 174.600 0.187 0.000 1.091 344 S CA -1.243 57.028 58.200 0.119 0.000 1.032 344 S CB 1.525 64.797 63.200 0.120 0.000 1.064 344 S HN 0.142 nan 8.310 nan 0.000 0.508 345 P HA 0.107 nan 4.420 nan 0.000 0.269 345 P C -0.676 176.787 177.300 0.271 0.000 1.217 345 P CA -0.347 62.889 63.100 0.227 0.000 0.783 345 P CB 0.302 32.098 31.700 0.161 0.000 0.898 346 C N 2.805 122.252 119.300 0.244 0.000 2.355 346 C HA 0.406 4.866 4.460 -0.000 0.000 0.332 346 C C -0.134 174.794 174.990 -0.102 0.000 1.255 346 C CA -0.223 58.787 59.018 -0.014 0.000 1.792 346 C CB -0.190 27.443 27.740 -0.178 0.000 2.300 346 C HN 0.570 nan 8.230 nan 0.000 0.515 347 Q N 4.802 124.474 119.800 -0.213 0.000 2.278 347 Q HA 0.631 4.971 4.340 -0.000 0.000 0.257 347 Q C -1.149 174.650 176.000 -0.336 0.000 0.928 347 Q CA -0.293 55.388 55.803 -0.203 0.000 0.932 347 Q CB 0.817 29.465 28.738 -0.149 0.000 1.221 347 Q HN 0.827 nan 8.270 nan 0.000 0.434 348 I N 5.027 125.493 120.570 -0.173 0.000 2.404 348 I HA 0.406 4.576 4.170 -0.000 0.000 0.293 348 I C -0.361 175.746 176.117 -0.016 0.000 0.992 348 I CA -0.759 60.458 61.300 -0.138 0.000 1.149 348 I CB 1.370 39.311 38.000 -0.098 0.000 1.315 348 I HN 0.697 nan 8.210 nan 0.000 0.446 349 N N 5.883 124.527 118.700 -0.093 0.000 2.416 349 N HA 0.542 5.282 4.740 -0.000 0.000 0.276 349 N C -3.256 172.169 175.510 -0.142 0.000 1.261 349 N CA -1.817 51.169 53.050 -0.108 0.000 0.790 349 N CB 2.103 40.487 38.487 -0.172 0.000 1.554 349 N HN 0.063 nan 8.380 nan 0.000 0.481 350 P HA 0.079 nan 4.420 nan 0.000 0.271 350 P C -0.154 177.058 177.300 -0.147 0.000 1.218 350 P CA -0.506 62.484 63.100 -0.184 0.000 0.780 350 P CB 0.597 32.126 31.700 -0.285 0.000 0.901 351 L N 3.318 124.488 121.223 -0.089 0.000 2.410 351 L HA 0.144 4.484 4.340 -0.000 0.000 0.273 351 L C 0.391 177.223 176.870 -0.063 0.000 1.144 351 L CA 0.927 55.725 54.840 -0.070 0.000 0.863 351 L CB -1.096 40.937 42.059 -0.045 0.000 1.140 351 L HN 0.394 nan 8.230 nan 0.000 0.463 352 D N 3.704 124.066 120.400 -0.063 0.000 2.945 352 D HA -0.193 4.447 4.640 -0.000 0.000 0.225 352 D C -0.571 175.701 176.300 -0.046 0.000 1.158 352 D CA 0.898 54.870 54.000 -0.046 0.000 0.805 352 D CB -0.798 39.986 40.800 -0.028 0.000 1.098 352 D HN 0.269 nan 8.370 nan 0.000 0.426 353 I N 0.899 121.422 120.570 -0.078 0.000 2.447 353 I HA 0.166 4.336 4.170 -0.000 0.000 0.287 353 I C 0.819 176.871 176.117 -0.108 0.000 1.023 353 I CA -0.599 60.657 61.300 -0.072 0.000 1.083 353 I CB 1.780 39.731 38.000 -0.081 0.000 1.245 353 I HN -0.114 nan 8.210 nan 0.000 0.434 354 S N 3.162 118.831 115.700 -0.052 0.000 2.672 354 S HA 0.813 5.283 4.470 -0.000 0.000 0.276 354 S C 0.947 175.541 174.600 -0.009 0.000 1.207 354 S CA 0.228 58.398 58.200 -0.049 0.000 1.002 354 S CB 1.968 65.152 63.200 -0.027 0.000 0.998 354 S HN 1.184 nan 8.310 nan 0.000 0.542 355 G N -0.339 108.456 108.800 -0.009 0.000 2.254 355 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.225 355 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.225 355 G C -0.243 174.722 174.900 0.107 0.000 1.003 355 G CA 0.168 45.294 45.100 0.044 0.000 0.622 355 G HN 1.622 nan 8.290 nan 0.000 0.507 356 Y N -0.535 119.712 120.300 -0.088 0.000 2.457 356 Y HA 0.811 5.361 4.550 0.000 0.000 0.343 356 Y C -0.675 175.097 175.900 -0.213 0.000 0.994 356 Y CA -1.497 56.503 58.100 -0.167 0.000 1.031 356 Y CB 1.615 40.002 38.460 -0.120 0.000 1.246 356 Y HN 0.842 nan 8.280 nan 0.000 0.449 357 L N 1.194 122.198 121.223 -0.366 0.000 2.518 357 L HA 0.769 5.109 4.340 -0.000 0.000 0.257 357 L C -2.366 174.098 176.870 -0.676 0.000 0.980 357 L CA -1.529 53.081 54.840 -0.384 0.000 0.837 357 L CB 1.852 43.804 42.059 -0.178 0.000 1.410 357 L HN 0.679 nan 8.230 nan 0.000 0.410 358 Y N 2.272 122.571 120.300 -0.001 0.000 2.462 358 Y HA 0.810 5.360 4.550 -0.000 0.000 0.346 358 Y C -0.489 175.398 175.900 -0.022 0.000 0.976 358 Y CA -0.929 57.177 58.100 0.010 0.000 1.044 358 Y CB 2.304 40.801 38.460 0.062 0.000 1.230 358 Y HN 0.436 nan 8.280 nan 0.000 0.455 359 I N 3.794 124.435 120.570 0.117 0.000 2.465 359 I HA 0.489 4.659 4.170 -0.000 0.000 0.291 359 I C -0.908 175.259 176.117 0.082 0.000 1.014 359 I CA -0.938 60.408 61.300 0.077 0.000 1.093 359 I CB 1.619 39.663 38.000 0.073 0.000 1.267 359 I HN 0.301 nan 8.210 nan 0.000 0.431 360 V N 5.854 125.817 119.914 0.082 0.000 2.588 360 V HA 0.465 4.585 4.120 -0.000 0.000 0.304 360 V C 0.210 176.496 176.094 0.321 0.000 1.042 360 V CA -0.753 61.636 62.300 0.149 0.000 0.877 360 V CB 2.114 33.972 31.823 0.059 0.000 0.996 360 V HN 0.564 nan 8.190 nan 0.000 0.425 361 M N 6.542 126.349 119.600 0.344 0.000 2.250 361 M HA 0.446 4.926 4.480 -0.000 0.000 0.344 361 M C -2.351 174.206 176.300 0.428 0.000 1.150 361 M CA -2.432 53.074 55.300 0.344 0.000 1.147 361 M CB 0.766 33.529 32.600 0.270 0.000 1.498 361 M HN 0.346 nan 8.290 nan 0.000 0.461 362 P HA 0.513 nan 4.420 nan 0.000 0.278 362 P C -0.830 176.450 177.300 -0.033 0.000 1.266 362 P CA -0.558 62.424 63.100 -0.197 0.000 0.807 362 P CB 0.757 32.232 31.700 -0.376 0.000 1.094 363 I N -3.398 117.106 120.570 -0.110 0.000 2.750 363 I HA 0.584 4.754 4.170 -0.000 0.000 0.308 363 I C 0.051 176.144 176.117 -0.040 0.000 1.016 363 I CA -1.515 59.779 61.300 -0.008 0.000 1.098 363 I CB 1.823 39.838 38.000 0.025 0.000 1.279 363 I HN -0.074 nan 8.210 nan 0.000 0.454 364 R N 3.215 123.714 120.500 -0.002 0.000 2.570 364 R HA 0.359 4.699 4.340 -0.000 0.000 0.277 364 R C -0.136 176.155 176.300 -0.014 0.000 1.039 364 R CA -0.520 55.577 56.100 -0.006 0.000 1.065 364 R CB -0.325 29.982 30.300 0.011 0.000 0.964 364 R HN 0.495 nan 8.270 nan 0.000 0.428 365 L N 2.098 123.309 121.223 -0.019 0.000 2.416 365 L HA 0.380 4.720 4.340 -0.000 0.000 0.272 365 L C 1.199 178.066 176.870 -0.006 0.000 1.161 365 L CA 0.006 54.837 54.840 -0.015 0.000 0.845 365 L CB 0.677 42.726 42.059 -0.017 0.000 1.119 365 L HN 0.841 nan 8.230 nan 0.000 0.464 366 A N 0.000 122.818 122.820 -0.003 0.000 2.254 366 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 366 A CA 0.000 52.037 52.037 -0.001 0.000 0.836 366 A CB 0.000 19.000 19.000 0.001 0.000 0.831 366 A HN 0.000 nan 8.150 nan 0.000 0.486