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 1w0k_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.830 174.700 0.216 0.000 1.109 9 T CA 0.000 62.180 62.100 0.134 0.000 1.349 9 T CB 0.000 68.952 68.868 0.139 0.000 0.612 10 T N -0.463 114.191 114.554 0.167 0.000 2.829 10 T HA 0.837 5.187 4.350 -0.000 0.000 0.280 10 T C 0.405 174.998 174.700 -0.178 0.000 0.999 10 T CA -0.302 61.827 62.100 0.048 0.000 0.983 10 T CB 1.545 70.407 68.868 -0.011 0.000 0.968 10 T HN 1.318 nan 8.240 nan 0.000 0.446 11 G N 1.962 110.403 108.800 -0.599 0.000 2.568 11 G HA2 0.702 4.662 3.960 -0.000 0.000 0.313 11 G HA3 0.702 4.662 3.960 -0.000 0.000 0.313 11 G C -0.983 173.577 174.900 -0.566 0.000 1.227 11 G CA -1.299 43.124 45.100 -1.128 0.000 0.979 11 G HN 0.843 nan 8.290 nan 0.000 0.486 12 R N -0.183 120.047 120.500 -0.450 0.000 2.589 12 R HA 0.428 4.768 4.340 -0.000 0.000 0.293 12 R C -0.508 175.673 176.300 -0.198 0.000 0.963 12 R CA -0.810 55.144 56.100 -0.244 0.000 0.905 12 R CB 2.454 32.656 30.300 -0.163 0.000 1.144 12 R HN 0.360 nan 8.270 nan 0.000 0.459 13 I N 2.832 123.324 120.570 -0.130 0.000 2.533 13 I HA -0.066 4.104 4.170 -0.000 0.000 0.284 13 I C 1.417 177.495 176.117 -0.065 0.000 1.109 13 I CA 0.079 61.329 61.300 -0.084 0.000 1.412 13 I CB 1.206 39.171 38.000 -0.058 0.000 1.396 13 I HN 0.570 nan 8.210 nan 0.000 0.543 14 V N 3.081 122.966 119.914 -0.049 0.000 3.570 14 V HA 0.565 4.685 4.120 -0.000 0.000 0.257 14 V C 0.545 176.626 176.094 -0.022 0.000 1.272 14 V CA 0.263 62.542 62.300 -0.035 0.000 1.079 14 V CB 0.096 31.900 31.823 -0.031 0.000 0.829 14 V HN 0.695 nan 8.190 nan 0.000 0.454 15 A N -0.042 122.767 122.820 -0.018 0.000 2.517 15 A HA 0.805 5.125 4.320 -0.000 0.000 0.297 15 A C -1.255 176.324 177.584 -0.009 0.000 1.050 15 A CA -0.391 51.639 52.037 -0.011 0.000 0.694 15 A CB 2.209 21.205 19.000 -0.006 0.000 1.277 15 A HN 0.466 nan 8.150 nan 0.000 0.400 16 V N 2.634 122.543 119.914 -0.008 0.000 2.525 16 V HA 0.646 4.766 4.120 -0.000 0.000 0.299 16 V C -1.192 174.899 176.094 -0.004 0.000 1.034 16 V CA -0.298 61.998 62.300 -0.005 0.000 0.863 16 V CB 1.458 33.277 31.823 -0.007 0.000 0.999 16 V HN 0.854 nan 8.190 nan 0.000 0.423 17 I N 4.836 125.404 120.570 -0.002 0.000 2.531 17 I HA 0.782 4.952 4.170 -0.000 0.000 0.283 17 I C 0.554 176.670 176.117 -0.002 0.000 1.083 17 I CA 1.105 62.404 61.300 -0.002 0.000 1.071 17 I CB 1.024 39.023 38.000 -0.002 0.000 1.210 17 I HN 0.904 nan 8.210 nan 0.000 0.450 18 G N 5.946 114.744 108.800 -0.003 0.000 2.651 18 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.315 18 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.315 18 G C 0.894 175.793 174.900 -0.001 0.000 1.258 18 G CA 0.677 45.775 45.100 -0.003 0.000 1.002 18 G HN 1.608 nan 8.290 nan 0.000 0.551 19 A N -0.864 121.955 122.820 -0.001 0.000 2.208 19 A HA 0.550 4.870 4.320 -0.000 0.000 0.209 19 A C 1.000 178.588 177.584 0.006 0.000 1.161 19 A CA 1.618 53.656 52.037 0.002 0.000 0.782 19 A CB 0.037 19.037 19.000 -0.000 0.000 0.816 19 A HN 1.353 nan 8.150 nan 0.000 0.477 20 V N 1.461 121.378 119.914 0.005 0.000 2.350 20 V HA 0.369 4.489 4.120 -0.000 0.000 0.276 20 V C -0.481 175.618 176.094 0.008 0.000 1.028 20 V CA -0.424 61.881 62.300 0.008 0.000 0.860 20 V CB 1.204 33.031 31.823 0.006 0.000 0.990 20 V HN 0.137 nan 8.190 nan 0.000 0.453 21 V N 3.628 123.550 119.914 0.013 0.000 2.628 21 V HA 0.574 4.694 4.120 -0.000 0.000 0.306 21 V C -0.746 175.358 176.094 0.017 0.000 1.045 21 V CA -0.821 61.485 62.300 0.011 0.000 0.905 21 V CB 2.209 34.038 31.823 0.010 0.000 0.997 21 V HN 0.735 nan 8.190 nan 0.000 0.436 22 D N 2.249 122.655 120.400 0.009 0.000 2.308 22 D HA 0.618 5.258 4.640 -0.000 0.000 0.242 22 D C -0.772 175.530 176.300 0.003 0.000 1.059 22 D CA -0.082 53.926 54.000 0.014 0.000 0.830 22 D CB 2.170 42.975 40.800 0.008 0.000 1.161 22 D HN 0.304 nan 8.370 nan 0.000 0.494 23 V N 2.442 122.371 119.914 0.026 0.000 2.487 23 V HA 0.319 4.439 4.120 -0.000 0.000 0.298 23 V C 0.010 176.108 176.094 0.007 0.000 1.028 23 V CA -0.902 61.387 62.300 -0.019 0.000 0.860 23 V CB 1.781 33.618 31.823 0.023 0.000 0.991 23 V HN 0.394 nan 8.190 nan 0.000 0.427 24 Q N 2.880 122.619 119.800 -0.102 0.000 2.243 24 Q HA 0.601 4.941 4.340 -0.000 0.000 0.252 24 Q C -1.827 174.050 176.000 -0.204 0.000 0.909 24 Q CA -0.412 55.359 55.803 -0.053 0.000 0.922 24 Q CB 1.220 29.924 28.738 -0.056 0.000 1.215 24 Q HN 0.638 nan 8.270 nan 0.000 0.427 25 F N 2.253 122.173 119.950 -0.051 0.000 2.493 25 F HA 0.213 4.739 4.527 -0.000 0.000 0.329 25 F C 0.476 176.255 175.800 -0.035 0.000 1.126 25 F CA -0.752 57.222 58.000 -0.043 0.000 0.937 25 F CB 1.776 40.745 39.000 -0.052 0.000 1.146 25 F HN 0.625 nan 8.300 nan 0.000 0.442 26 D N 1.334 121.797 120.400 0.105 0.000 2.149 26 D HA -0.054 4.586 4.640 -0.000 0.000 0.201 26 D C -0.054 176.291 176.300 0.074 0.000 0.972 26 D CA 1.456 55.494 54.000 0.063 0.000 0.835 26 D CB 0.281 41.095 40.800 0.024 0.000 0.966 26 D HN 0.574 nan 8.370 nan 0.000 0.476 27 E N -1.160 119.102 120.200 0.103 0.000 2.263 27 E HA 0.511 4.861 4.350 -0.000 0.000 0.268 27 E C -0.653 175.989 176.600 0.070 0.000 0.884 27 E CA -0.599 55.843 56.400 0.070 0.000 0.766 27 E CB 2.307 32.036 29.700 0.048 0.000 1.196 27 E HN 0.062 nan 8.360 nan 0.000 0.416 28 G N 3.555 112.368 108.800 0.022 0.000 2.815 28 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.234 28 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.234 28 G C -0.359 174.457 174.900 -0.141 0.000 0.971 28 G CA -0.521 44.559 45.100 -0.033 0.000 1.124 28 G HN 0.414 nan 8.290 nan 0.000 0.435 29 L N 4.202 125.320 121.223 -0.175 0.000 2.426 29 L HA 0.345 4.685 4.340 -0.000 0.000 0.271 29 L C -0.942 175.704 176.870 -0.375 0.000 1.169 29 L CA -1.555 53.060 54.840 -0.375 0.000 0.836 29 L CB 0.860 42.738 42.059 -0.302 0.000 1.112 29 L HN 0.400 nan 8.230 nan 0.000 0.465 30 P HA 0.279 nan 4.420 nan 0.000 0.279 30 P C -2.620 174.641 177.300 -0.065 0.000 1.239 30 P CA -1.575 61.331 63.100 -0.323 0.000 0.789 30 P CB 0.279 31.731 31.700 -0.414 0.000 0.933 31 P HA 0.147 nan 4.420 nan 0.000 0.270 31 P C 0.308 177.642 177.300 0.056 0.000 1.223 31 P CA -0.036 63.093 63.100 0.049 0.000 0.785 31 P CB 0.321 32.010 31.700 -0.019 0.000 0.923 32 I N 2.410 122.989 120.570 0.014 0.000 2.752 32 I HA -0.091 4.079 4.170 -0.000 0.000 0.287 32 I C 1.449 177.532 176.117 -0.056 0.000 1.188 32 I CA 0.670 61.962 61.300 -0.013 0.000 1.427 32 I CB -0.228 37.729 38.000 -0.071 0.000 1.365 32 I HN 0.455 nan 8.210 nan 0.000 0.585 33 L N 2.514 123.697 121.223 -0.067 0.000 4.110 33 L HA -0.242 4.098 4.340 -0.000 0.000 0.404 33 L C 0.487 177.352 176.870 -0.009 0.000 0.763 33 L CA 0.336 55.107 54.840 -0.116 0.000 2.413 33 L CB -1.386 40.535 42.059 -0.230 0.000 1.244 33 L HN 0.731 nan 8.230 nan 0.000 0.614 34 N N 1.183 119.883 118.700 -0.000 0.000 2.475 34 N HA 0.390 5.130 4.740 -0.000 0.000 0.267 34 N C 0.471 176.001 175.510 0.032 0.000 1.169 34 N CA 0.553 53.611 53.050 0.013 0.000 0.947 34 N CB 0.984 39.463 38.487 -0.014 0.000 1.061 34 N HN 0.288 nan 8.380 nan 0.000 0.466 35 A N 4.243 127.090 122.820 0.044 0.000 2.454 35 A HA 0.295 4.615 4.320 -0.000 0.000 0.260 35 A C 0.151 177.762 177.584 0.044 0.000 1.106 35 A CA -0.150 51.916 52.037 0.049 0.000 0.780 35 A CB 0.164 19.191 19.000 0.046 0.000 1.044 35 A HN 0.619 nan 8.150 nan 0.000 0.498 36 L N 2.244 123.502 121.223 0.059 0.000 2.334 36 L HA 0.506 4.846 4.340 -0.000 0.000 0.272 36 L C 0.101 177.006 176.870 0.059 0.000 1.020 36 L CA -0.534 54.353 54.840 0.079 0.000 0.812 36 L CB 1.551 43.686 42.059 0.127 0.000 1.264 36 L HN 0.692 nan 8.230 nan 0.000 0.439 37 E N 1.843 122.076 120.200 0.055 0.000 2.191 37 E HA 0.362 4.712 4.350 -0.000 0.000 0.263 37 E C -1.188 175.427 176.600 0.026 0.000 0.881 37 E CA -0.691 55.729 56.400 0.033 0.000 0.757 37 E CB 2.812 32.525 29.700 0.022 0.000 1.147 37 E HN 0.209 nan 8.360 nan 0.000 0.414 38 V N 3.276 123.200 119.914 0.016 0.000 2.530 38 V HA 0.044 4.164 4.120 -0.000 0.000 0.282 38 V C 0.476 176.568 176.094 -0.003 0.000 1.048 38 V CA -0.584 61.717 62.300 0.003 0.000 0.997 38 V CB 0.967 32.790 31.823 -0.000 0.000 0.987 38 V HN 0.567 nan 8.190 nan 0.000 0.477 39 Q N 2.130 121.923 119.800 -0.012 0.000 2.260 39 Q HA 0.448 4.788 4.340 -0.000 0.000 0.242 39 Q C 1.041 177.033 176.000 -0.013 0.000 0.932 39 Q CA 0.517 56.312 55.803 -0.012 0.000 0.891 39 Q CB 1.301 30.029 28.738 -0.018 0.000 1.222 39 Q HN 1.204 nan 8.270 nan 0.000 0.453 40 G N 1.971 110.764 108.800 -0.011 0.000 2.289 40 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.280 40 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.280 40 G C -0.197 174.699 174.900 -0.008 0.000 1.089 40 G CA 0.134 45.228 45.100 -0.010 0.000 0.939 40 G HN 0.406 nan 8.290 nan 0.000 0.499 41 R N -0.876 119.620 120.500 -0.006 0.000 2.686 41 R HA 0.383 4.723 4.340 -0.000 0.000 0.283 41 R C 1.244 177.542 176.300 -0.002 0.000 0.978 41 R CA -0.562 55.536 56.100 -0.004 0.000 0.897 41 R CB 1.265 31.564 30.300 -0.003 0.000 1.192 41 R HN 0.358 nan 8.270 nan 0.000 0.457 42 E N 0.448 120.646 120.200 -0.002 0.000 2.038 42 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 42 E C 0.695 177.295 176.600 0.000 0.000 1.000 42 E CA 1.662 58.062 56.400 -0.001 0.000 0.803 42 E CB 0.041 29.740 29.700 -0.001 0.000 0.750 42 E HN 0.625 nan 8.360 nan 0.000 0.448 43 T N -1.518 113.037 114.554 0.001 0.000 2.950 43 T HA 0.381 4.731 4.350 -0.000 0.000 0.288 43 T C -0.209 174.494 174.700 0.004 0.000 1.035 43 T CA -1.068 61.034 62.100 0.003 0.000 1.028 43 T CB 2.088 70.958 68.868 0.003 0.000 1.109 43 T HN -0.043 nan 8.240 nan 0.000 0.514 44 R N 0.958 121.461 120.500 0.006 0.000 2.343 44 R HA 0.356 4.696 4.340 -0.000 0.000 0.326 44 R C -0.989 175.317 176.300 0.010 0.000 1.055 44 R CA -0.561 55.544 56.100 0.008 0.000 0.961 44 R CB -0.306 30.000 30.300 0.010 0.000 0.978 44 R HN 0.572 nan 8.270 nan 0.000 0.443 45 L N 6.351 127.580 121.223 0.010 0.000 2.277 45 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 45 L C -1.150 175.731 176.870 0.018 0.000 1.028 45 L CA -0.448 54.399 54.840 0.013 0.000 0.835 45 L CB 1.629 43.693 42.059 0.009 0.000 1.215 45 L HN 0.314 nan 8.230 nan 0.000 0.425 46 V N 6.300 126.228 119.914 0.023 0.000 2.509 46 V HA 0.407 4.527 4.120 -0.000 0.000 0.284 46 V C 0.126 176.242 176.094 0.036 0.000 1.047 46 V CA -0.505 61.814 62.300 0.030 0.000 0.952 46 V CB 1.500 33.342 31.823 0.032 0.000 0.988 46 V HN 0.575 nan 8.190 nan 0.000 0.469 47 L N 4.139 125.389 121.223 0.045 0.000 2.313 47 L HA 0.562 4.902 4.340 -0.000 0.000 0.283 47 L C 0.049 176.955 176.870 0.059 0.000 1.013 47 L CA -0.314 54.556 54.840 0.050 0.000 0.816 47 L CB 1.734 43.825 42.059 0.055 0.000 1.236 47 L HN 0.635 nan 8.230 nan 0.000 0.419 48 E N 2.641 122.877 120.200 0.061 0.000 2.167 48 E HA 0.286 4.636 4.350 -0.000 0.000 0.284 48 E C -0.849 175.783 176.600 0.053 0.000 1.016 48 E CA -0.745 55.696 56.400 0.067 0.000 0.817 48 E CB 1.564 31.321 29.700 0.096 0.000 1.080 48 E HN 0.334 nan 8.360 nan 0.000 0.397 49 V N 4.387 124.328 119.914 0.045 0.000 2.540 49 V HA 0.015 4.135 4.120 -0.000 0.000 0.297 49 V C 0.952 177.066 176.094 0.033 0.000 1.024 49 V CA 0.908 63.236 62.300 0.045 0.000 1.105 49 V CB 0.764 32.613 31.823 0.042 0.000 0.938 49 V HN 0.888 nan 8.190 nan 0.000 0.482 50 A N 4.275 127.120 122.820 0.042 0.000 1.984 50 A HA 0.278 4.598 4.320 -0.000 0.000 0.203 50 A C 0.694 178.301 177.584 0.039 0.000 1.292 50 A CA 0.395 52.447 52.037 0.025 0.000 0.782 50 A CB 0.312 19.326 19.000 0.023 0.000 0.924 50 A HN 0.859 nan 8.150 nan 0.000 0.475 51 Q N -1.176 118.672 119.800 0.080 0.000 2.534 51 Q HA 0.363 4.703 4.340 -0.000 0.000 0.290 51 Q C -1.764 174.366 176.000 0.217 0.000 0.991 51 Q CA -0.725 55.145 55.803 0.112 0.000 0.783 51 Q CB 0.755 29.528 28.738 0.060 0.000 1.470 51 Q HN 0.492 nan 8.270 nan 0.000 0.406 52 H N 1.899 120.964 119.070 -0.008 0.000 2.787 52 H HA 0.251 4.807 4.556 -0.000 0.000 0.275 52 H C 0.842 176.173 175.328 0.005 0.000 1.183 52 H CA -0.274 55.772 56.048 -0.003 0.000 1.290 52 H CB 0.930 30.684 29.762 -0.013 0.000 1.438 52 H HN 0.496 nan 8.280 nan 0.000 0.487 53 L N 2.579 123.849 121.223 0.078 0.000 2.127 53 L HA -0.107 4.233 4.340 -0.000 0.000 0.211 53 L C 1.356 178.252 176.870 0.044 0.000 1.089 53 L CA 1.150 56.019 54.840 0.049 0.000 0.757 53 L CB -0.297 41.779 42.059 0.028 0.000 0.899 53 L HN 0.872 nan 8.230 nan 0.000 0.434 54 G N -0.688 108.137 108.800 0.041 0.000 2.592 54 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.684 54 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.684 54 G C -0.032 174.878 174.900 0.017 0.000 1.291 54 G CA -0.329 44.791 45.100 0.034 0.000 0.891 54 G HN 0.263 nan 8.290 nan 0.000 0.544 55 E N -0.966 119.244 120.200 0.017 0.000 2.269 55 E HA -0.176 4.174 4.350 -0.000 0.000 0.223 55 E C 1.013 177.621 176.600 0.013 0.000 1.244 55 E CA 1.201 57.609 56.400 0.013 0.000 0.713 55 E CB -1.381 28.326 29.700 0.011 0.000 1.178 55 E HN 1.948 nan 8.360 nan 0.000 0.370 56 S N -1.650 114.057 115.700 0.011 0.000 3.473 56 S HA -0.222 4.248 4.470 -0.000 0.000 0.339 56 S C 0.128 174.749 174.600 0.035 0.000 1.148 56 S CA 1.464 59.675 58.200 0.018 0.000 0.969 56 S CB -0.812 62.412 63.200 0.039 0.000 0.936 56 S HN 0.471 nan 8.310 nan 0.000 0.530 57 T N 1.120 115.677 114.554 0.006 0.000 2.885 57 T HA 0.677 5.027 4.350 -0.000 0.000 0.285 57 T C 0.245 174.928 174.700 -0.027 0.000 1.019 57 T CA -0.280 61.833 62.100 0.021 0.000 1.010 57 T CB 1.921 70.798 68.868 0.015 0.000 1.022 57 T HN 0.470 nan 8.240 nan 0.000 0.466 58 V N 0.660 120.582 119.914 0.014 0.000 2.960 58 V HA 0.811 4.931 4.120 -0.000 0.000 0.315 58 V C -0.498 175.618 176.094 0.037 0.000 1.087 58 V CA -1.433 60.858 62.300 -0.016 0.000 0.982 58 V CB 1.846 33.642 31.823 -0.044 0.000 1.039 58 V HN 0.855 nan 8.190 nan 0.000 0.437 59 R N 1.659 122.185 120.500 0.042 0.000 2.445 59 R HA 0.764 5.104 4.340 -0.000 0.000 0.308 59 R C -0.290 176.037 176.300 0.046 0.000 0.961 59 R CA 0.326 56.450 56.100 0.041 0.000 0.862 59 R CB 1.709 32.030 30.300 0.035 0.000 1.144 59 R HN 1.205 nan 8.270 nan 0.000 0.447 60 T N 1.089 115.668 114.554 0.042 0.000 2.907 60 T HA 0.582 4.932 4.350 -0.000 0.000 0.290 60 T C -0.227 174.494 174.700 0.034 0.000 1.066 60 T CA -0.878 61.249 62.100 0.044 0.000 1.012 60 T CB 1.207 70.109 68.868 0.057 0.000 1.184 60 T HN 0.443 nan 8.240 nan 0.000 0.522 61 I N 1.590 122.183 120.570 0.037 0.000 2.411 61 I HA 0.587 4.757 4.170 -0.000 0.000 0.284 61 I C 0.681 176.818 176.117 0.034 0.000 1.012 61 I CA -1.180 60.139 61.300 0.031 0.000 1.119 61 I CB 1.384 39.403 38.000 0.032 0.000 1.261 61 I HN 0.973 nan 8.210 nan 0.000 0.448 62 A N 7.217 130.052 122.820 0.025 0.000 2.425 62 A HA 0.425 4.745 4.320 -0.000 0.000 0.242 62 A C 0.843 178.442 177.584 0.025 0.000 1.077 62 A CA 0.073 52.124 52.037 0.024 0.000 0.781 62 A CB 0.345 19.355 19.000 0.016 0.000 1.020 62 A HN 0.798 nan 8.150 nan 0.000 0.494 63 M N 0.345 119.960 119.600 0.025 0.000 2.313 63 M HA 0.242 4.722 4.480 -0.000 0.000 0.273 63 M C -0.244 176.067 176.300 0.019 0.000 1.049 63 M CA 0.316 55.631 55.300 0.024 0.000 1.004 63 M CB -0.531 32.086 32.600 0.029 0.000 1.461 63 M HN 0.753 nan 8.290 nan 0.000 0.514 64 D N -0.463 119.946 120.400 0.015 0.000 2.744 64 D HA 0.493 5.133 4.640 -0.000 0.000 0.304 64 D C -0.460 175.845 176.300 0.008 0.000 1.179 64 D CA -0.126 53.881 54.000 0.011 0.000 1.024 64 D CB 1.886 42.692 40.800 0.010 0.000 1.453 64 D HN 0.127 nan 8.370 nan 0.000 0.529 65 G N -0.946 107.857 108.800 0.006 0.000 2.559 65 G HA2 0.277 4.237 3.960 -0.000 0.000 0.235 65 G HA3 0.277 4.237 3.960 -0.000 0.000 0.235 65 G C 0.804 175.706 174.900 0.003 0.000 1.266 65 G CA 0.662 45.764 45.100 0.003 0.000 0.847 65 G HN 0.401 nan 8.290 nan 0.000 0.583 66 T N -1.816 112.739 114.554 0.001 0.000 3.054 66 T HA 0.154 4.504 4.350 -0.000 0.000 0.255 66 T C 0.768 175.467 174.700 -0.002 0.000 1.035 66 T CA 0.142 62.243 62.100 0.000 0.000 0.941 66 T CB 0.102 68.970 68.868 0.000 0.000 1.026 66 T HN 0.659 nan 8.240 nan 0.000 0.533 67 E N 2.129 122.328 120.200 -0.002 0.000 2.442 67 E HA 0.280 4.630 4.350 -0.000 0.000 0.262 67 E C 1.235 177.833 176.600 -0.004 0.000 1.004 67 E CA 0.815 57.213 56.400 -0.003 0.000 0.928 67 E CB 0.058 29.756 29.700 -0.003 0.000 0.937 67 E HN 0.487 nan 8.360 nan 0.000 0.446 68 G N 2.677 111.474 108.800 -0.005 0.000 2.253 68 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.251 68 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.251 68 G C 0.439 175.334 174.900 -0.008 0.000 0.998 68 G CA 0.195 45.291 45.100 -0.006 0.000 0.621 68 G HN 0.504 nan 8.290 nan 0.000 0.524 69 L N 0.818 122.036 121.223 -0.009 0.000 2.483 69 L HA 0.441 4.781 4.340 -0.000 0.000 0.276 69 L C 0.491 177.353 176.870 -0.014 0.000 1.213 69 L CA 0.094 54.927 54.840 -0.012 0.000 0.843 69 L CB 1.097 43.150 42.059 -0.011 0.000 1.107 69 L HN 0.040 nan 8.230 nan 0.000 0.487 70 V N 3.727 123.630 119.914 -0.018 0.000 2.709 70 V HA 0.333 4.453 4.120 -0.000 0.000 0.308 70 V C 0.023 176.102 176.094 -0.026 0.000 1.062 70 V CA -0.853 61.435 62.300 -0.020 0.000 0.901 70 V CB 2.098 33.910 31.823 -0.019 0.000 1.003 70 V HN 0.672 nan 8.190 nan 0.000 0.425 71 R N 2.530 123.015 120.500 -0.025 0.000 2.480 71 R HA 0.386 4.726 4.340 -0.000 0.000 0.303 71 R C 1.285 177.564 176.300 -0.036 0.000 0.985 71 R CA 1.247 57.329 56.100 -0.030 0.000 1.051 71 R CB 0.122 30.406 30.300 -0.025 0.000 0.935 71 R HN 1.180 nan 8.270 nan 0.000 0.410 72 G N 2.020 110.791 108.800 -0.048 0.000 2.259 72 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.217 72 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.217 72 G C 0.195 175.058 174.900 -0.061 0.000 1.001 72 G CA -0.210 44.857 45.100 -0.054 0.000 0.627 72 G HN 0.581 nan 8.290 nan 0.000 0.501 73 Q N 1.605 121.372 119.800 -0.054 0.000 2.304 73 Q HA 0.304 4.644 4.340 -0.000 0.000 0.301 73 Q C 0.330 176.285 176.000 -0.075 0.000 1.063 73 Q CA 0.425 56.196 55.803 -0.053 0.000 0.947 73 Q CB 0.410 29.124 28.738 -0.041 0.000 1.201 73 Q HN 0.249 nan 8.270 nan 0.000 0.389 74 K N 2.060 122.419 120.400 -0.069 0.000 2.237 74 K HA 0.324 4.644 4.320 -0.000 0.000 0.270 74 K C -0.870 175.679 176.600 -0.084 0.000 1.015 74 K CA -0.242 55.991 56.287 -0.090 0.000 0.949 74 K CB 1.224 33.684 32.500 -0.066 0.000 0.976 74 K HN 0.392 nan 8.250 nan 0.000 0.472 75 V N 2.961 122.802 119.914 -0.122 0.000 2.789 75 V HA 0.389 4.509 4.120 -0.000 0.000 0.311 75 V C -0.822 175.270 176.094 -0.004 0.000 1.073 75 V CA -1.056 61.203 62.300 -0.068 0.000 0.921 75 V CB 2.057 33.826 31.823 -0.090 0.000 1.009 75 V HN 0.566 nan 8.190 nan 0.000 0.426 76 L N 2.760 124.025 121.223 0.069 0.000 2.333 76 L HA 0.604 4.944 4.340 -0.000 0.000 0.280 76 L C -0.402 176.557 176.870 0.147 0.000 1.004 76 L CA -0.206 54.699 54.840 0.109 0.000 0.820 76 L CB 1.668 43.758 42.059 0.052 0.000 1.247 76 L HN 0.769 nan 8.230 nan 0.000 0.416 77 D N 1.784 122.295 120.400 0.185 0.000 2.342 77 D HA 0.015 4.655 4.640 -0.000 0.000 0.260 77 D C 1.286 177.609 176.300 0.039 0.000 1.278 77 D CA 0.635 54.688 54.000 0.088 0.000 0.910 77 D CB 1.169 41.966 40.800 -0.005 0.000 1.079 77 D HN 0.551 nan 8.370 nan 0.000 0.496 78 S N 3.242 118.958 115.700 0.027 0.000 2.493 78 S HA -0.046 4.424 4.470 -0.000 0.000 0.243 78 S C 1.789 176.383 174.600 -0.010 0.000 0.991 78 S CA 1.151 59.353 58.200 0.005 0.000 0.957 78 S CB -0.461 62.739 63.200 0.000 0.000 0.756 78 S HN 0.978 nan 8.310 nan 0.000 0.521 79 G N -0.151 108.642 108.800 -0.011 0.000 2.217 79 G HA2 0.053 4.013 3.960 -0.000 0.000 0.246 79 G HA3 0.053 4.013 3.960 -0.000 0.000 0.246 79 G C 0.177 175.066 174.900 -0.018 0.000 0.990 79 G CA -0.015 45.073 45.100 -0.020 0.000 0.627 79 G HN 1.686 nan 8.290 nan 0.000 0.522 80 A N -0.152 122.662 122.820 -0.011 0.000 2.609 80 A HA 0.893 5.213 4.320 -0.000 0.000 0.291 80 A C -2.794 174.802 177.584 0.019 0.000 1.096 80 A CA -0.631 51.406 52.037 -0.000 0.000 0.684 80 A CB 1.561 20.558 19.000 -0.005 0.000 1.282 80 A HN 0.232 nan 8.150 nan 0.000 0.412 81 P HA 0.146 nan 4.420 nan 0.000 0.270 81 P C -0.167 177.177 177.300 0.074 0.000 1.221 81 P CA 0.168 63.322 63.100 0.089 0.000 0.788 81 P CB 0.235 32.021 31.700 0.144 0.000 0.904 82 I N 1.208 121.832 120.570 0.091 0.000 2.821 82 I HA -0.117 4.053 4.170 -0.000 0.000 0.294 82 I C 1.404 177.544 176.117 0.038 0.000 1.210 82 I CA 1.064 62.394 61.300 0.050 0.000 1.430 82 I CB -0.231 37.791 38.000 0.036 0.000 1.356 82 I HN 0.129 nan 8.210 nan 0.000 0.563 83 R N 7.225 127.752 120.500 0.044 0.000 2.494 83 R HA 0.697 5.037 4.340 -0.000 0.000 0.305 83 R C -0.860 175.533 176.300 0.155 0.000 0.959 83 R CA -0.866 55.284 56.100 0.084 0.000 0.864 83 R CB 1.948 32.283 30.300 0.059 0.000 1.159 83 R HN 0.571 nan 8.270 nan 0.000 0.446 84 I N -0.804 119.860 120.570 0.158 0.000 2.689 84 I HA 0.582 4.752 4.170 -0.000 0.000 0.299 84 I C -2.678 173.434 176.117 -0.008 0.000 1.059 84 I CA -3.224 58.139 61.300 0.106 0.000 1.055 84 I CB 2.101 40.102 38.000 0.002 0.000 1.243 84 I HN 0.311 nan 8.210 nan 0.000 0.425 85 P HA 0.108 nan 4.420 nan 0.000 0.264 85 P C -0.706 176.343 177.300 -0.419 0.000 1.183 85 P CA -0.021 62.734 63.100 -0.574 0.000 0.763 85 P CB 0.578 32.026 31.700 -0.421 0.000 0.807 86 V N 0.393 119.984 119.914 -0.539 0.000 2.962 86 V HA 1.025 5.145 4.120 -0.000 0.000 0.313 86 V C -0.061 175.502 176.094 -0.885 0.000 1.099 86 V CA -0.146 61.776 62.300 -0.629 0.000 0.971 86 V CB 1.629 33.111 31.823 -0.568 0.000 1.028 86 V HN 0.936 nan 8.190 nan 0.000 0.430 87 G N 2.755 110.907 108.800 -1.079 0.000 2.354 87 G HA2 0.159 4.119 3.960 -0.000 0.000 0.582 87 G HA3 0.159 4.119 3.960 -0.000 0.000 0.582 87 G C -2.426 172.361 174.900 -0.188 0.000 1.316 87 G CA -0.013 44.571 45.100 -0.860 0.000 0.995 87 G HN 0.713 nan 8.290 nan 0.000 0.573 88 P HA -0.105 nan 4.420 nan 0.000 0.216 88 P C 1.242 178.544 177.300 0.004 0.000 1.150 88 P CA 1.996 65.167 63.100 0.118 0.000 0.843 88 P CB -0.057 31.715 31.700 0.119 0.000 0.787 89 E N 0.280 120.454 120.200 -0.042 0.000 2.438 89 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 89 E C 0.914 177.478 176.600 -0.060 0.000 1.110 89 E CA 0.781 57.150 56.400 -0.052 0.000 0.893 89 E CB -1.242 28.422 29.700 -0.060 0.000 0.990 89 E HN 0.342 nan 8.360 nan 0.000 0.490 90 T N -1.679 112.850 114.554 -0.042 0.000 3.067 90 T HA 0.150 4.500 4.350 -0.000 0.000 0.257 90 T C 1.106 175.817 174.700 0.018 0.000 1.105 90 T CA -0.281 61.809 62.100 -0.016 0.000 1.104 90 T CB -0.176 68.688 68.868 -0.006 0.000 0.925 90 T HN 0.062 nan 8.240 nan 0.000 0.498 91 L N 2.033 123.249 121.223 -0.011 0.000 2.455 91 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 91 L C 1.622 178.483 176.870 -0.015 0.000 1.174 91 L CA 0.810 55.612 54.840 -0.064 0.000 0.869 91 L CB 0.209 42.142 42.059 -0.209 0.000 1.130 91 L HN 0.538 nan 8.230 nan 0.000 0.474 92 G N 1.794 110.606 108.800 0.021 0.000 2.159 92 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 92 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 92 G C 0.281 175.250 174.900 0.115 0.000 0.977 92 G CA -0.355 44.785 45.100 0.067 0.000 0.652 92 G HN 0.463 nan 8.290 nan 0.000 0.531 93 R N -0.378 120.168 120.500 0.076 0.000 2.787 93 R HA 0.786 5.126 4.340 -0.000 0.000 0.271 93 R C 0.111 176.430 176.300 0.033 0.000 0.993 93 R CA -1.019 55.111 56.100 0.049 0.000 0.993 93 R CB 0.954 31.263 30.300 0.014 0.000 1.155 93 R HN 0.279 nan 8.270 nan 0.000 0.486 94 I N 2.866 123.414 120.570 -0.037 0.000 2.406 94 I HA 0.420 4.590 4.170 -0.000 0.000 0.290 94 I C 0.416 176.530 176.117 -0.006 0.000 0.999 94 I CA -0.599 60.683 61.300 -0.030 0.000 1.124 94 I CB 1.416 39.295 38.000 -0.202 0.000 1.289 94 I HN 0.336 nan 8.210 nan 0.000 0.441 95 M N 2.881 122.505 119.600 0.040 0.000 2.535 95 M HA 0.576 5.056 4.480 -0.000 0.000 0.314 95 M C -0.668 175.656 176.300 0.040 0.000 1.153 95 M CA -0.729 54.585 55.300 0.023 0.000 0.924 95 M CB 1.734 34.337 32.600 0.005 0.000 1.710 95 M HN 0.385 nan 8.290 nan 0.000 0.451 96 N N 0.445 119.160 118.700 0.025 0.000 2.207 96 N HA 0.082 4.822 4.740 -0.000 0.000 0.223 96 N C 0.962 176.485 175.510 0.022 0.000 1.339 96 N CA 0.038 53.105 53.050 0.027 0.000 0.889 96 N CB 0.720 39.218 38.487 0.019 0.000 1.128 96 N HN 0.588 nan 8.380 nan 0.000 0.456 97 V N 0.330 120.255 119.914 0.020 0.000 2.427 97 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 97 V C 1.540 177.637 176.094 0.004 0.000 1.051 97 V CA 1.864 64.169 62.300 0.009 0.000 1.048 97 V CB -1.031 30.800 31.823 0.013 0.000 0.666 97 V HN 0.720 nan 8.190 nan 0.000 0.456 98 I N -1.419 119.159 120.570 0.015 0.000 3.855 98 I HA 0.665 4.835 4.170 -0.000 0.000 0.327 98 I C 1.329 177.465 176.117 0.032 0.000 1.359 98 I CA 0.598 61.911 61.300 0.021 0.000 1.142 98 I CB -0.136 37.879 38.000 0.025 0.000 1.041 98 I HN 0.274 nan 8.210 nan 0.000 0.403 99 G N 0.887 109.701 108.800 0.023 0.000 2.176 99 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.253 99 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.253 99 G C -0.049 174.868 174.900 0.027 0.000 0.979 99 G CA 0.001 45.116 45.100 0.025 0.000 0.641 99 G HN 0.632 nan 8.290 nan 0.000 0.530 100 E N 2.126 122.342 120.200 0.026 0.000 2.354 100 E HA 0.360 4.710 4.350 -0.000 0.000 0.269 100 E C -2.137 174.467 176.600 0.006 0.000 1.036 100 E CA -1.599 54.813 56.400 0.021 0.000 0.876 100 E CB 1.016 30.727 29.700 0.019 0.000 1.009 100 E HN 0.243 nan 8.360 nan 0.000 0.416 101 P HA 0.000 nan 4.420 nan 0.000 0.271 101 P C 0.092 177.378 177.300 -0.024 0.000 1.216 101 P CA 0.476 63.568 63.100 -0.014 0.000 0.776 101 P CB 0.413 32.106 31.700 -0.011 0.000 0.881 102 I N -1.203 119.338 120.570 -0.048 0.000 3.994 102 I HA 0.225 4.395 4.170 -0.000 0.000 0.323 102 I C 0.144 176.191 176.117 -0.116 0.000 1.501 102 I CA -0.292 60.968 61.300 -0.067 0.000 1.112 102 I CB 0.086 38.050 38.000 -0.060 0.000 1.254 102 I HN 0.042 nan 8.210 nan 0.000 0.495 103 D N 0.603 120.935 120.400 -0.114 0.000 2.363 103 D HA 0.026 4.666 4.640 -0.000 0.000 0.214 103 D C 0.331 176.605 176.300 -0.043 0.000 1.093 103 D CA -0.215 53.703 54.000 -0.136 0.000 0.837 103 D CB -0.129 40.575 40.800 -0.161 0.000 0.948 103 D HN 0.406 nan 8.370 nan 0.000 0.507 104 E N 0.049 120.231 120.200 -0.030 0.000 2.360 104 E HA -0.257 4.093 4.350 -0.000 0.000 0.238 104 E C 0.228 176.833 176.600 0.009 0.000 1.186 104 E CA 0.251 56.648 56.400 -0.006 0.000 0.719 104 E CB -1.002 28.698 29.700 0.000 0.000 1.236 104 E HN 0.372 nan 8.360 nan 0.000 0.386 105 R N -0.313 120.191 120.500 0.008 0.000 2.596 105 R HA 0.288 4.628 4.340 -0.000 0.000 0.369 105 R C 0.638 176.945 176.300 0.012 0.000 1.042 105 R CA 0.280 56.391 56.100 0.018 0.000 1.120 105 R CB 1.323 31.642 30.300 0.031 0.000 1.353 105 R HN 0.330 nan 8.270 nan 0.000 0.564 106 G N 1.963 110.768 108.800 0.007 0.000 2.655 106 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.680 106 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.680 106 G C -2.780 172.124 174.900 0.006 0.000 1.302 106 G CA -1.268 43.837 45.100 0.008 0.000 0.872 106 G HN -0.018 nan 8.290 nan 0.000 0.540 107 P HA 0.505 nan 4.420 nan 0.000 0.272 107 P C -0.003 177.298 177.300 0.002 0.000 1.230 107 P CA -0.376 62.733 63.100 0.014 0.000 0.788 107 P CB 0.440 32.154 31.700 0.024 0.000 0.949 108 I N 1.876 122.442 120.570 -0.006 0.000 2.281 108 I HA 0.135 4.305 4.170 -0.000 0.000 0.293 108 I C 0.588 176.673 176.117 -0.055 0.000 1.085 108 I CA -0.113 61.161 61.300 -0.043 0.000 1.257 108 I CB 0.010 37.964 38.000 -0.077 0.000 1.430 108 I HN 0.036 nan 8.210 nan 0.000 0.489 109 K N 5.945 126.320 120.400 -0.042 0.000 2.220 109 K HA 0.259 4.579 4.320 -0.000 0.000 0.283 109 K C -0.188 176.360 176.600 -0.086 0.000 1.098 109 K CA -0.231 56.037 56.287 -0.032 0.000 0.928 109 K CB 0.031 32.526 32.500 -0.009 0.000 1.214 109 K HN 0.561 nan 8.250 nan 0.000 0.442 110 T N -0.371 114.089 114.554 -0.156 0.000 2.888 110 T HA 0.280 4.630 4.350 -0.000 0.000 0.284 110 T C 0.915 175.530 174.700 -0.143 0.000 1.017 110 T CA -1.144 60.807 62.100 -0.248 0.000 1.022 110 T CB 2.251 70.798 68.868 -0.534 0.000 1.013 110 T HN 0.285 nan 8.240 nan 0.000 0.465 111 K N 0.521 120.854 120.400 -0.111 0.000 2.025 111 K HA -0.033 4.287 4.320 -0.000 0.000 0.207 111 K C 1.147 177.749 176.600 0.004 0.000 1.049 111 K CA 1.055 57.327 56.287 -0.025 0.000 0.933 111 K CB 0.055 32.545 32.500 -0.016 0.000 0.714 111 K HN 0.715 nan 8.250 nan 0.000 0.438 112 Q N 0.029 119.760 119.800 -0.115 0.000 2.348 112 Q HA 0.351 4.691 4.340 -0.000 0.000 0.271 112 Q C -0.842 175.022 176.000 -0.227 0.000 1.067 112 Q CA -0.553 55.219 55.803 -0.051 0.000 0.839 112 Q CB 1.305 30.012 28.738 -0.052 0.000 1.354 112 Q HN -0.107 nan 8.270 nan 0.000 0.447 113 F N -0.168 119.732 119.950 -0.084 0.000 2.618 113 F HA 0.841 5.368 4.527 -0.000 0.000 0.332 113 F C -0.233 175.526 175.800 -0.069 0.000 1.061 113 F CA -0.700 57.249 58.000 -0.085 0.000 0.974 113 F CB 2.334 41.300 39.000 -0.056 0.000 1.310 113 F HN 0.826 nan 8.300 nan 0.000 0.491 114 A N 0.473 123.362 122.820 0.116 0.000 2.515 114 A HA 0.838 5.158 4.320 -0.000 0.000 0.298 114 A C -1.435 176.183 177.584 0.057 0.000 1.059 114 A CA -0.698 51.374 52.037 0.059 0.000 0.698 114 A CB 1.047 20.047 19.000 0.001 0.000 1.289 114 A HN 1.003 nan 8.150 nan 0.000 0.404 115 A N 1.005 123.851 122.820 0.044 0.000 2.363 115 A HA 0.513 4.832 4.320 -0.000 0.000 0.270 115 A C 0.994 178.573 177.584 -0.007 0.000 1.121 115 A CA 0.053 52.111 52.037 0.035 0.000 0.800 115 A CB -0.433 18.600 19.000 0.056 0.000 1.052 115 A HN 1.638 nan 8.150 nan 0.000 0.493 116 I N -0.748 119.782 120.570 -0.067 0.000 3.001 116 I HA 0.017 4.187 4.170 -0.000 0.000 0.268 116 I C 0.160 176.117 176.117 -0.268 0.000 1.267 116 I CA 0.570 61.762 61.300 -0.179 0.000 1.472 116 I CB -0.328 37.525 38.000 -0.244 0.000 1.089 116 I HN 0.482 nan 8.210 nan 0.000 0.468 117 H N 2.617 121.688 119.070 0.001 0.000 2.597 117 H HA 0.762 5.318 4.556 -0.000 0.000 0.303 117 H C -0.346 174.982 175.328 -0.001 0.000 1.057 117 H CA -0.343 55.705 56.048 0.000 0.000 1.261 117 H CB 1.274 31.040 29.762 0.006 0.000 1.397 117 H HN 0.401 nan 8.280 nan 0.000 0.461 118 A N 3.469 126.346 122.820 0.095 0.000 2.479 118 A HA 0.430 4.750 4.320 -0.000 0.000 0.296 118 A C -0.140 177.474 177.584 0.049 0.000 1.121 118 A CA -0.930 51.141 52.037 0.057 0.000 0.743 118 A CB 1.655 20.671 19.000 0.027 0.000 1.323 118 A HN 0.661 nan 8.150 nan 0.000 0.415 119 E N 0.687 120.908 120.200 0.035 0.000 2.373 119 E HA 0.433 4.783 4.350 -0.000 0.000 0.263 119 E C 0.212 176.825 176.600 0.022 0.000 1.073 119 E CA -0.192 56.225 56.400 0.028 0.000 0.894 119 E CB 0.954 30.668 29.700 0.024 0.000 1.008 119 E HN 0.746 nan 8.360 nan 0.000 0.420 120 A N 3.653 126.487 122.820 0.023 0.000 2.462 120 A HA 0.216 4.536 4.320 -0.000 0.000 0.243 120 A C -2.066 175.532 177.584 0.022 0.000 1.076 120 A CA -1.186 50.862 52.037 0.018 0.000 0.773 120 A CB -0.478 18.538 19.000 0.026 0.000 1.010 120 A HN 0.344 nan 8.150 nan 0.000 0.493 121 P HA -0.035 nan 4.420 nan 0.000 0.259 121 P C 0.037 177.357 177.300 0.033 0.000 1.155 121 P CA 0.611 63.718 63.100 0.012 0.000 0.759 121 P CB 0.326 32.024 31.700 -0.003 0.000 0.753 122 E N 1.953 122.177 120.200 0.039 0.000 2.409 122 E HA -0.033 4.317 4.350 -0.000 0.000 0.257 122 E C 0.935 177.595 176.600 0.100 0.000 1.150 122 E CA -0.196 56.250 56.400 0.077 0.000 0.942 122 E CB 0.166 29.906 29.700 0.067 0.000 0.979 122 E HN 0.384 nan 8.360 nan 0.000 0.447 123 F N 1.971 121.923 119.950 0.003 0.000 2.154 123 F HA -0.245 4.282 4.527 -0.000 0.000 0.301 123 F C 1.835 177.636 175.800 0.001 0.000 1.087 123 F CA 1.797 59.799 58.000 0.003 0.000 1.274 123 F CB -0.185 38.818 39.000 0.004 0.000 1.009 123 F HN 0.260 nan 8.300 nan 0.000 0.485 124 V N -2.178 117.711 119.914 -0.042 0.000 2.970 124 V HA -0.146 3.974 4.120 -0.000 0.000 0.260 124 V C 1.682 177.689 176.094 -0.145 0.000 1.100 124 V CA 1.753 63.977 62.300 -0.127 0.000 1.122 124 V CB -1.063 30.759 31.823 -0.001 0.000 0.721 124 V HN 0.368 nan 8.190 nan 0.000 0.483 125 E N -0.031 120.106 120.200 -0.106 0.000 2.427 125 E HA 0.090 4.440 4.350 -0.000 0.000 0.196 125 E C 0.641 177.170 176.600 -0.118 0.000 1.028 125 E CA -0.049 56.299 56.400 -0.087 0.000 0.864 125 E CB -0.055 29.616 29.700 -0.047 0.000 0.813 125 E HN 0.425 nan 8.360 nan 0.000 0.514 126 M N 0.950 120.435 119.600 -0.193 0.000 2.249 126 M HA 0.058 4.538 4.480 -0.000 0.000 0.340 126 M C 0.378 176.579 176.300 -0.164 0.000 1.166 126 M CA 0.216 55.402 55.300 -0.189 0.000 1.115 126 M CB 0.838 33.265 32.600 -0.288 0.000 1.606 126 M HN -0.150 nan 8.290 nan 0.000 0.448 127 S N 1.631 117.267 115.700 -0.107 0.000 2.532 127 S HA 0.678 5.148 4.470 -0.000 0.000 0.301 127 S C 0.379 174.940 174.600 -0.064 0.000 1.083 127 S CA -0.766 57.385 58.200 -0.081 0.000 1.025 127 S CB 1.273 64.439 63.200 -0.056 0.000 1.056 127 S HN 0.572 nan 8.310 nan 0.000 0.494 128 V N 0.066 119.949 119.914 -0.052 0.000 3.528 128 V HA 0.485 4.605 4.120 -0.000 0.000 0.294 128 V C 0.133 176.215 176.094 -0.019 0.000 1.404 128 V CA -0.339 61.940 62.300 -0.035 0.000 1.065 128 V CB -0.364 31.438 31.823 -0.035 0.000 0.904 128 V HN 0.690 nan 8.190 nan 0.000 0.435 129 E N 2.597 122.786 120.200 -0.019 0.000 2.415 129 E HA 0.260 4.609 4.350 -0.000 0.000 0.260 129 E C -0.335 176.265 176.600 -0.001 0.000 1.016 129 E CA 0.657 57.051 56.400 -0.009 0.000 0.924 129 E CB 0.608 30.302 29.700 -0.009 0.000 0.961 129 E HN 0.645 nan 8.360 nan 0.000 0.459 130 Q N 2.386 122.188 119.800 0.005 0.000 2.341 130 Q HA 0.362 4.702 4.340 -0.000 0.000 0.268 130 Q C -0.596 175.416 176.000 0.020 0.000 1.013 130 Q CA -0.296 55.515 55.803 0.013 0.000 0.798 130 Q CB 1.902 30.648 28.738 0.014 0.000 1.253 130 Q HN 0.403 nan 8.270 nan 0.000 0.457 131 E N 2.730 122.947 120.200 0.028 0.000 2.275 131 E HA 0.312 4.662 4.350 -0.000 0.000 0.270 131 E C -1.196 175.434 176.600 0.050 0.000 0.882 131 E CA -0.766 55.655 56.400 0.035 0.000 0.758 131 E CB 2.076 31.794 29.700 0.030 0.000 1.195 131 E HN 0.590 nan 8.360 nan 0.000 0.419 132 I N 4.148 124.753 120.570 0.058 0.000 2.775 132 I HA -0.030 4.140 4.170 -0.000 0.000 0.290 132 I C -0.828 175.335 176.117 0.076 0.000 1.203 132 I CA 0.257 61.603 61.300 0.075 0.000 1.433 132 I CB 0.310 38.362 38.000 0.087 0.000 1.354 132 I HN 0.425 nan 8.210 nan 0.000 0.579 133 L N 8.846 130.125 121.223 0.094 0.000 2.301 133 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 133 L C -0.812 176.106 176.870 0.080 0.000 1.022 133 L CA -0.345 54.551 54.840 0.094 0.000 0.854 133 L CB 1.178 43.307 42.059 0.116 0.000 1.226 133 L HN 0.357 nan 8.230 nan 0.000 0.429 134 V N 4.260 124.208 119.914 0.057 0.000 2.555 134 V HA 0.200 4.320 4.120 -0.000 0.000 0.286 134 V C 1.352 177.458 176.094 0.020 0.000 1.044 134 V CA 0.693 63.011 62.300 0.030 0.000 1.026 134 V CB 1.096 32.938 31.823 0.031 0.000 0.981 134 V HN 0.938 nan 8.190 nan 0.000 0.480 135 T N -0.065 114.478 114.554 -0.018 0.000 2.985 135 T HA 0.273 4.623 4.350 -0.000 0.000 0.254 135 T C 1.398 176.085 174.700 -0.022 0.000 1.021 135 T CA 0.655 62.745 62.100 -0.017 0.000 0.957 135 T CB 0.521 69.350 68.868 -0.065 0.000 1.047 135 T HN 1.440 nan 8.240 nan 0.000 0.511 136 G N 1.704 110.494 108.800 -0.017 0.000 2.168 136 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.263 136 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.263 136 G C -0.027 174.878 174.900 0.009 0.000 0.977 136 G CA 0.284 45.382 45.100 -0.003 0.000 0.659 136 G HN 0.667 nan 8.290 nan 0.000 0.533 137 I N 0.688 121.257 120.570 -0.002 0.000 2.304 137 I HA 0.276 4.446 4.170 -0.000 0.000 0.291 137 I C 1.554 177.682 176.117 0.020 0.000 1.018 137 I CA -0.734 60.596 61.300 0.050 0.000 1.260 137 I CB 1.324 39.360 38.000 0.061 0.000 1.390 137 I HN -0.012 nan 8.210 nan 0.000 0.475 138 K N 3.737 124.157 120.400 0.033 0.000 2.001 138 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 138 K C 1.796 178.410 176.600 0.023 0.000 1.050 138 K CA 1.553 57.862 56.287 0.037 0.000 0.934 138 K CB -0.204 32.310 32.500 0.025 0.000 0.718 138 K HN 0.537 nan 8.250 nan 0.000 0.443 139 V N 0.956 120.883 119.914 0.021 0.000 2.324 139 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 139 V C 2.327 178.404 176.094 -0.029 0.000 1.060 139 V CA 1.731 64.025 62.300 -0.011 0.000 1.042 139 V CB -0.714 31.127 31.823 0.031 0.000 0.650 139 V HN 0.096 nan 8.190 nan 0.000 0.450 140 V N 0.458 120.342 119.914 -0.050 0.000 2.323 140 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 140 V C 2.271 178.279 176.094 -0.143 0.000 1.041 140 V CA 2.174 64.378 62.300 -0.159 0.000 1.025 140 V CB -0.655 30.937 31.823 -0.385 0.000 0.656 140 V HN 0.545 nan 8.190 nan 0.000 0.451 141 D N -0.369 119.975 120.400 -0.092 0.000 2.269 141 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 141 D C 1.805 178.171 176.300 0.110 0.000 0.963 141 D CA 0.852 54.844 54.000 -0.013 0.000 0.864 141 D CB 0.105 40.890 40.800 -0.026 0.000 0.936 141 D HN 0.379 nan 8.370 nan 0.000 0.505 142 L N -0.323 120.942 121.223 0.069 0.000 2.130 142 L HA 0.090 4.430 4.340 -0.000 0.000 0.200 142 L C 1.935 178.908 176.870 0.173 0.000 1.075 142 L CA 1.039 55.962 54.840 0.138 0.000 0.768 142 L CB -0.090 41.924 42.059 -0.074 0.000 0.933 142 L HN -0.096 nan 8.230 nan 0.000 0.451 143 L N -0.622 120.612 121.223 0.017 0.000 2.200 143 L HA 0.281 4.621 4.340 -0.000 0.000 0.200 143 L C 0.962 177.830 176.870 -0.004 0.000 1.072 143 L CA 0.654 55.479 54.840 -0.026 0.000 0.787 143 L CB -0.353 41.669 42.059 -0.061 0.000 0.957 143 L HN 0.242 nan 8.230 nan 0.000 0.459 144 A N 0.588 123.420 122.820 0.019 0.000 3.317 144 A HA 0.447 4.767 4.320 -0.000 0.000 0.307 144 A C -2.564 175.059 177.584 0.065 0.000 1.003 144 A CA -1.059 51.011 52.037 0.056 0.000 0.882 144 A CB -0.270 18.790 19.000 0.099 0.000 1.136 144 A HN -0.086 nan 8.150 nan 0.000 0.488 145 P HA 0.084 nan 4.420 nan 0.000 0.271 145 P C -0.529 176.862 177.300 0.153 0.000 1.216 145 P CA 0.486 63.599 63.100 0.021 0.000 0.771 145 P CB 0.230 31.974 31.700 0.075 0.000 0.864 146 Y N 0.834 121.171 120.300 0.061 0.000 2.397 146 Y HA 0.313 4.863 4.550 -0.000 0.000 0.335 146 Y C 1.296 177.218 175.900 0.036 0.000 1.213 146 Y CA -1.215 56.912 58.100 0.045 0.000 1.391 146 Y CB 0.622 39.104 38.460 0.038 0.000 1.293 146 Y HN 0.386 nan 8.280 nan 0.000 0.557 147 A N 3.607 126.539 122.820 0.188 0.000 2.317 147 A HA 0.361 4.681 4.320 -0.000 0.000 0.327 147 A C -0.593 177.031 177.584 0.066 0.000 1.178 147 A CA -1.065 51.033 52.037 0.102 0.000 0.817 147 A CB 0.592 19.634 19.000 0.069 0.000 1.189 147 A HN 0.759 nan 8.150 nan 0.000 0.489 148 K N 0.846 121.278 120.400 0.053 0.000 2.484 148 K HA 0.275 4.595 4.320 -0.000 0.000 0.280 148 K C 1.209 177.814 176.600 0.008 0.000 1.013 148 K CA 1.293 57.598 56.287 0.029 0.000 1.029 148 K CB 0.235 32.756 32.500 0.035 0.000 0.902 148 K HN 1.484 nan 8.250 nan 0.000 0.481 149 G N 2.173 110.964 108.800 -0.015 0.000 2.175 149 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.265 149 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.265 149 G C 0.447 175.326 174.900 -0.035 0.000 0.979 149 G CA 0.205 45.288 45.100 -0.027 0.000 0.663 149 G HN 0.846 nan 8.290 nan 0.000 0.533 150 G N -0.774 108.007 108.800 -0.032 0.000 2.488 150 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 150 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 150 G C -0.187 174.671 174.900 -0.071 0.000 1.188 150 G CA -0.720 44.362 45.100 -0.030 0.000 0.944 150 G HN 0.345 nan 8.290 nan 0.000 0.495 151 K N -0.038 120.328 120.400 -0.057 0.000 2.211 151 K HA 0.466 4.786 4.320 -0.000 0.000 0.275 151 K C -0.810 175.727 176.600 -0.104 0.000 1.024 151 K CA -0.107 56.129 56.287 -0.084 0.000 0.887 151 K CB 1.657 34.133 32.500 -0.041 0.000 1.084 151 K HN 0.253 nan 8.250 nan 0.000 0.463 152 I N 1.348 121.805 120.570 -0.189 0.000 2.498 152 I HA 0.344 4.514 4.170 -0.000 0.000 0.290 152 I C 0.050 176.035 176.117 -0.221 0.000 1.032 152 I CA -0.626 60.508 61.300 -0.277 0.000 1.073 152 I CB 2.290 39.938 38.000 -0.586 0.000 1.251 152 I HN 0.627 nan 8.210 nan 0.000 0.426 153 G N 6.650 115.370 108.800 -0.134 0.000 2.530 153 G HA2 0.731 4.691 3.960 -0.000 0.000 0.316 153 G HA3 0.731 4.691 3.960 -0.000 0.000 0.316 153 G C -1.073 173.760 174.900 -0.111 0.000 1.298 153 G CA -0.510 44.474 45.100 -0.193 0.000 0.948 153 G HN 0.453 nan 8.290 nan 0.000 0.486 154 L N 2.069 123.170 121.223 -0.203 0.000 2.324 154 L HA 0.450 4.790 4.340 -0.000 0.000 0.274 154 L C -0.944 175.864 176.870 -0.104 0.000 1.012 154 L CA -0.625 54.201 54.840 -0.023 0.000 0.859 154 L CB 0.905 42.989 42.059 0.040 0.000 1.224 154 L HN 0.311 nan 8.230 nan 0.000 0.429 155 F N 1.430 121.392 119.950 0.021 0.000 2.404 155 F HA 0.742 5.269 4.527 -0.000 0.000 0.345 155 F C 0.990 176.794 175.800 0.008 0.000 1.110 155 F CA -0.364 57.625 58.000 -0.018 0.000 1.130 155 F CB 1.902 40.882 39.000 -0.034 0.000 1.129 155 F HN 0.447 nan 8.300 nan 0.000 0.500 156 G N 1.198 110.068 108.800 0.117 0.000 2.733 156 G HA2 0.497 4.457 3.960 -0.000 0.000 0.297 156 G HA3 0.497 4.457 3.960 -0.000 0.000 0.297 156 G C -0.629 174.224 174.900 -0.079 0.000 1.452 156 G CA -0.516 44.620 45.100 0.061 0.000 0.940 156 G HN 0.921 nan 8.290 nan 0.000 0.547 157 G N -0.255 108.481 108.800 -0.106 0.000 2.611 157 G HA2 0.640 4.600 3.960 -0.000 0.000 0.273 157 G HA3 0.640 4.600 3.960 -0.000 0.000 0.273 157 G C 0.795 175.677 174.900 -0.030 0.000 1.305 157 G CA 0.337 45.302 45.100 -0.225 0.000 1.010 157 G HN 1.660 nan 8.290 nan 0.000 0.509 158 A N -1.174 121.692 122.820 0.076 0.000 2.545 158 A HA 0.502 4.822 4.320 -0.000 0.000 0.253 158 A C 1.541 179.212 177.584 0.146 0.000 1.074 158 A CA 1.160 53.342 52.037 0.242 0.000 0.760 158 A CB -0.738 18.421 19.000 0.265 0.000 1.005 158 A HN 2.577 nan 8.150 nan 0.000 0.506 159 G N 1.293 110.184 108.800 0.151 0.000 2.136 159 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 159 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 159 G C 0.557 175.540 174.900 0.138 0.000 0.989 159 G CA 0.362 45.534 45.100 0.121 0.000 0.682 159 G HN 1.287 nan 8.290 nan 0.000 0.522 160 V N -0.849 119.156 119.914 0.152 0.000 2.825 160 V HA 0.530 4.650 4.120 -0.000 0.000 0.246 160 V C 2.075 178.321 176.094 0.254 0.000 1.068 160 V CA 1.671 64.082 62.300 0.186 0.000 1.088 160 V CB 0.186 32.090 31.823 0.135 0.000 0.733 160 V HN 1.921 nan 8.190 nan 0.000 0.468 161 G N 0.066 108.994 108.800 0.214 0.000 2.207 161 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.193 161 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.193 161 G C 0.552 175.584 174.900 0.221 0.000 1.050 161 G CA 0.143 45.382 45.100 0.232 0.000 0.780 161 G HN 0.297 nan 8.290 nan 0.000 0.504 162 K N -0.171 120.341 120.400 0.186 0.000 1.991 162 K HA -0.082 4.238 4.320 -0.000 0.000 0.212 162 K C 2.545 179.243 176.600 0.162 0.000 1.049 162 K CA 2.016 58.402 56.287 0.164 0.000 0.932 162 K CB -0.284 32.303 32.500 0.145 0.000 0.717 162 K HN 0.272 nan 8.250 nan 0.000 0.441 163 T N 1.322 115.972 114.554 0.160 0.000 2.708 163 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 163 T C 2.077 176.870 174.700 0.155 0.000 1.037 163 T CA 1.224 63.419 62.100 0.158 0.000 1.146 163 T CB -0.226 68.733 68.868 0.151 0.000 0.865 163 T HN -0.054 nan 8.240 nan 0.000 0.435 164 V N 1.562 121.583 119.914 0.178 0.000 2.392 164 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 164 V C 2.391 178.606 176.094 0.202 0.000 1.059 164 V CA 1.241 63.668 62.300 0.211 0.000 1.051 164 V CB -0.682 31.306 31.823 0.274 0.000 0.658 164 V HN 0.314 nan 8.190 nan 0.000 0.455 165 L N -0.117 121.241 121.223 0.226 0.000 2.017 165 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 165 L C 2.125 179.041 176.870 0.076 0.000 1.073 165 L CA 1.881 56.830 54.840 0.182 0.000 0.745 165 L CB -0.564 41.639 42.059 0.240 0.000 0.894 165 L HN 0.264 nan 8.230 nan 0.000 0.432 166 I N -1.445 119.188 120.570 0.106 0.000 2.493 166 I HA -0.254 3.916 4.170 -0.000 0.000 0.254 166 I C 1.981 178.101 176.117 0.005 0.000 1.160 166 I CA 0.756 62.113 61.300 0.095 0.000 1.445 166 I CB 0.065 38.153 38.000 0.146 0.000 1.086 166 I HN 0.285 nan 8.210 nan 0.000 0.433 167 M N -0.361 119.242 119.600 0.005 0.000 2.236 167 M HA -0.127 4.353 4.480 -0.000 0.000 0.266 167 M C 2.135 178.369 176.300 -0.111 0.000 1.070 167 M CA 1.360 56.628 55.300 -0.053 0.000 1.137 167 M CB -1.149 31.451 32.600 -0.000 0.000 1.378 167 M HN 0.155 nan 8.290 nan 0.000 0.426 168 E N 0.680 120.790 120.200 -0.150 0.000 2.150 168 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 168 E C 2.010 178.472 176.600 -0.231 0.000 0.985 168 E CA 1.006 57.231 56.400 -0.291 0.000 0.814 168 E CB -0.219 29.035 29.700 -0.744 0.000 0.752 168 E HN 0.456 nan 8.360 nan 0.000 0.466 169 L N -0.070 121.068 121.223 -0.141 0.000 2.072 169 L HA -0.085 4.255 4.340 -0.000 0.000 0.205 169 L C 2.390 179.244 176.870 -0.027 0.000 1.079 169 L CA 0.858 55.687 54.840 -0.018 0.000 0.752 169 L CB -0.302 41.835 42.059 0.131 0.000 0.906 169 L HN 0.215 nan 8.230 nan 0.000 0.436 170 I N 0.130 120.582 120.570 -0.196 0.000 2.151 170 I HA -0.369 3.801 4.170 -0.000 0.000 0.243 170 I C 2.257 178.288 176.117 -0.143 0.000 1.080 170 I CA 1.762 62.852 61.300 -0.350 0.000 1.339 170 I CB -0.359 37.315 38.000 -0.542 0.000 1.039 170 I HN 0.357 nan 8.210 nan 0.000 0.409 171 N N 0.865 119.492 118.700 -0.123 0.000 2.223 171 N HA -0.176 4.564 4.740 -0.000 0.000 0.185 171 N C 1.370 176.853 175.510 -0.045 0.000 1.016 171 N CA 1.528 54.531 53.050 -0.079 0.000 0.863 171 N CB -0.095 38.339 38.487 -0.088 0.000 0.983 171 N HN 0.365 nan 8.380 nan 0.000 0.429 172 N N -1.524 117.150 118.700 -0.045 0.000 2.325 172 N HA 0.066 4.806 4.740 -0.000 0.000 0.182 172 N C 0.450 175.973 175.510 0.022 0.000 1.088 172 N CA 0.112 53.149 53.050 -0.021 0.000 0.879 172 N CB 1.042 39.498 38.487 -0.051 0.000 0.983 172 N HN 0.062 nan 8.380 nan 0.000 0.471 173 V N 0.019 119.962 119.914 0.048 0.000 3.058 173 V HA 0.187 4.307 4.120 -0.000 0.000 0.233 173 V C 1.919 178.062 176.094 0.082 0.000 1.255 173 V CA 0.678 63.022 62.300 0.074 0.000 1.267 173 V CB 0.168 32.055 31.823 0.105 0.000 1.049 173 V HN 0.109 nan 8.190 nan 0.000 0.486 174 A N 0.365 123.248 122.820 0.104 0.000 1.855 174 A HA -0.186 4.134 4.320 -0.000 0.000 0.215 174 A C 2.113 179.811 177.584 0.190 0.000 1.191 174 A CA 1.980 54.109 52.037 0.153 0.000 0.613 174 A CB -0.433 18.667 19.000 0.167 0.000 0.829 174 A HN 0.482 nan 8.150 nan 0.000 0.442 175 K N -0.405 120.055 120.400 0.101 0.000 2.113 175 K HA -0.098 4.222 4.320 -0.000 0.000 0.208 175 K C 1.272 177.923 176.600 0.085 0.000 1.047 175 K CA 1.248 57.580 56.287 0.075 0.000 0.928 175 K CB -0.259 32.260 32.500 0.031 0.000 0.716 175 K HN 0.415 nan 8.250 nan 0.000 0.446 176 A N 1.370 124.249 122.820 0.098 0.000 2.842 176 A HA 0.101 4.421 4.320 -0.000 0.000 0.298 176 A C -0.456 177.217 177.584 0.148 0.000 1.293 176 A CA -0.458 51.632 52.037 0.089 0.000 0.959 176 A CB -0.637 18.399 19.000 0.061 0.000 1.119 176 A HN 0.473 nan 8.150 nan 0.000 0.564 177 H N -2.846 116.238 119.070 0.022 0.000 2.768 177 H HA 0.632 5.188 4.556 -0.000 0.000 0.371 177 H C 0.072 175.395 175.328 -0.008 0.000 1.151 177 H CA -0.348 55.707 56.048 0.012 0.000 1.165 177 H CB 1.536 31.314 29.762 0.026 0.000 1.722 177 H HN 0.083 nan 8.280 nan 0.000 0.543 178 G N 1.725 110.270 108.800 -0.426 0.000 2.530 178 G HA2 0.532 4.492 3.960 -0.000 0.000 0.313 178 G HA3 0.532 4.492 3.960 -0.000 0.000 0.313 178 G C -0.118 174.360 174.900 -0.703 0.000 0.971 178 G CA 0.196 45.031 45.100 -0.442 0.000 1.237 178 G HN 1.047 nan 8.290 nan 0.000 0.446 179 G N 1.203 109.582 108.800 -0.701 0.000 2.341 179 G HA2 0.272 4.232 3.960 -0.000 0.000 0.293 179 G HA3 0.272 4.232 3.960 -0.000 0.000 0.293 179 G C -1.081 173.683 174.900 -0.226 0.000 1.298 179 G CA -1.111 43.643 45.100 -0.576 0.000 0.868 179 G HN 0.424 nan 8.290 nan 0.000 0.540 180 Y N 0.164 120.406 120.300 -0.097 0.000 2.326 180 Y HA 0.594 5.144 4.550 -0.000 0.000 0.324 180 Y C 0.921 176.833 175.900 0.020 0.000 1.291 180 Y CA -0.330 57.679 58.100 -0.153 0.000 1.348 180 Y CB 1.926 40.046 38.460 -0.566 0.000 1.294 180 Y HN 0.513 nan 8.280 nan 0.000 0.525 181 S N 0.741 116.562 115.700 0.202 0.000 2.536 181 S HA 0.622 5.092 4.470 -0.000 0.000 0.287 181 S C -1.176 173.541 174.600 0.195 0.000 1.101 181 S CA -0.933 57.403 58.200 0.227 0.000 0.950 181 S CB 1.879 65.288 63.200 0.349 0.000 1.056 181 S HN 0.322 nan 8.310 nan 0.000 0.481 182 V N 2.482 122.524 119.914 0.213 0.000 2.513 182 V HA 0.576 4.696 4.120 -0.000 0.000 0.299 182 V C -1.115 175.146 176.094 0.278 0.000 1.035 182 V CA -0.708 61.718 62.300 0.209 0.000 0.889 182 V CB 1.356 33.272 31.823 0.155 0.000 0.988 182 V HN 0.882 nan 8.190 nan 0.000 0.440 183 F N 3.500 123.510 119.950 0.100 0.000 2.427 183 F HA 0.779 5.306 4.527 -0.000 0.000 0.348 183 F C 0.237 175.956 175.800 -0.136 0.000 1.125 183 F CA -0.487 57.541 58.000 0.047 0.000 0.989 183 F CB 1.135 40.153 39.000 0.031 0.000 1.165 183 F HN 0.592 nan 8.300 nan 0.000 0.442 184 A N 4.282 126.805 122.820 -0.496 0.000 2.288 184 A HA 0.676 4.996 4.320 -0.000 0.000 0.320 184 A C -0.073 177.121 177.584 -0.649 0.000 1.217 184 A CA -0.346 51.422 52.037 -0.449 0.000 0.840 184 A CB 0.533 19.350 19.000 -0.305 0.000 1.179 184 A HN 1.006 nan 8.150 nan 0.000 0.504 185 G N 1.202 109.679 108.800 -0.539 0.000 2.377 185 G HA2 0.517 4.477 3.960 -0.000 0.000 0.316 185 G HA3 0.517 4.477 3.960 -0.000 0.000 0.316 185 G C -0.836 174.014 174.900 -0.084 0.000 1.115 185 G CA -0.216 44.735 45.100 -0.248 0.000 0.952 185 G HN 0.715 nan 8.290 nan 0.000 0.441 186 V N 2.441 122.324 119.914 -0.051 0.000 2.350 186 V HA 0.618 4.738 4.120 -0.000 0.000 0.285 186 V C 1.078 177.189 176.094 0.028 0.000 1.014 186 V CA 0.265 62.556 62.300 -0.015 0.000 0.831 186 V CB 0.989 32.786 31.823 -0.043 0.000 1.000 186 V HN 1.372 nan 8.190 nan 0.000 0.433 187 G N 3.419 112.243 108.800 0.040 0.000 2.305 187 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.287 187 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.287 187 G C 0.146 175.075 174.900 0.049 0.000 1.036 187 G CA 0.553 45.672 45.100 0.031 0.000 0.887 187 G HN 0.598 nan 8.290 nan 0.000 0.505 188 E N -0.903 119.351 120.200 0.089 0.000 2.639 188 E HA 0.460 4.810 4.350 -0.000 0.000 0.219 188 E C 0.746 177.409 176.600 0.105 0.000 0.800 188 E CA -0.996 55.467 56.400 0.104 0.000 1.002 188 E CB 0.599 30.389 29.700 0.148 0.000 1.621 188 E HN 0.308 nan 8.360 nan 0.000 0.396 189 R N 0.491 121.058 120.500 0.111 0.000 2.267 189 R HA 0.215 4.555 4.340 -0.000 0.000 0.319 189 R C 1.054 177.402 176.300 0.079 0.000 1.067 189 R CA 0.077 56.225 56.100 0.080 0.000 0.936 189 R CB 0.494 30.835 30.300 0.069 0.000 1.006 189 R HN 0.428 nan 8.270 nan 0.000 0.452 190 T N 2.517 117.095 114.554 0.040 0.000 2.684 190 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 190 T C 1.792 176.467 174.700 -0.041 0.000 1.036 190 T CA 1.431 63.522 62.100 -0.014 0.000 1.148 190 T CB -0.131 68.723 68.868 -0.023 0.000 0.863 190 T HN 0.576 nan 8.240 nan 0.000 0.436 191 R N 1.254 121.750 120.500 -0.007 0.000 2.117 191 R HA -0.174 4.166 4.340 -0.000 0.000 0.243 191 R C 2.112 178.414 176.300 0.004 0.000 1.143 191 R CA 1.917 58.017 56.100 0.000 0.000 0.968 191 R CB -0.263 30.045 30.300 0.014 0.000 0.863 191 R HN 0.483 nan 8.270 nan 0.000 0.444 192 E N -0.768 119.447 120.200 0.025 0.000 2.160 192 E HA -0.134 4.216 4.350 -0.000 0.000 0.195 192 E C 1.848 178.449 176.600 0.002 0.000 0.991 192 E CA 1.178 57.604 56.400 0.043 0.000 0.810 192 E CB -0.204 29.558 29.700 0.103 0.000 0.742 192 E HN 0.638 nan 8.360 nan 0.000 0.466 193 G N 0.852 109.609 108.800 -0.072 0.000 2.404 193 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.215 193 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.215 193 G C 1.410 176.149 174.900 -0.268 0.000 1.174 193 G CA 0.958 45.843 45.100 -0.358 0.000 0.780 193 G HN 0.224 nan 8.290 nan 0.000 0.537 194 N N 0.393 118.997 118.700 -0.160 0.000 2.205 194 N HA -0.102 4.638 4.740 -0.000 0.000 0.186 194 N C 1.666 177.235 175.510 0.099 0.000 1.015 194 N CA 1.490 54.533 53.050 -0.012 0.000 0.862 194 N CB -0.060 38.456 38.487 0.048 0.000 0.986 194 N HN 0.136 nan 8.380 nan 0.000 0.429 195 D N -0.230 120.196 120.400 0.043 0.000 2.097 195 D HA -0.113 4.527 4.640 -0.000 0.000 0.197 195 D C 1.843 178.155 176.300 0.019 0.000 0.984 195 D CA 0.526 54.557 54.000 0.050 0.000 0.826 195 D CB -0.347 40.470 40.800 0.028 0.000 0.973 195 D HN 0.230 nan 8.370 nan 0.000 0.460 196 L N 0.067 121.268 121.223 -0.037 0.000 2.027 196 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 196 L C 2.190 179.038 176.870 -0.037 0.000 1.074 196 L CA 1.542 56.327 54.840 -0.092 0.000 0.745 196 L CB -1.023 40.899 42.059 -0.229 0.000 0.898 196 L HN 0.007 nan 8.230 nan 0.000 0.433 197 Y N 0.359 120.548 120.300 -0.185 0.000 2.053 197 Y HA -0.337 4.213 4.550 -0.000 0.000 0.277 197 Y C 2.734 178.517 175.900 -0.196 0.000 1.159 197 Y CA 2.438 60.403 58.100 -0.225 0.000 1.125 197 Y CB -0.823 37.425 38.460 -0.352 0.000 0.969 197 Y HN 0.465 nan 8.280 nan 0.000 0.492 198 H N -0.855 118.158 119.070 -0.095 0.000 2.457 198 H HA -0.098 4.458 4.556 -0.000 0.000 0.294 198 H C 2.232 177.471 175.328 -0.148 0.000 1.064 198 H CA 1.327 57.268 56.048 -0.178 0.000 1.330 198 H CB 0.016 29.731 29.762 -0.078 0.000 1.395 198 H HN 0.524 nan 8.280 nan 0.000 0.541 199 E N 0.636 120.837 120.200 0.002 0.000 2.216 199 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 199 E C 1.795 178.357 176.600 -0.062 0.000 0.988 199 E CA 0.523 56.907 56.400 -0.026 0.000 0.834 199 E CB 0.079 29.766 29.700 -0.022 0.000 0.772 199 E HN 0.493 nan 8.360 nan 0.000 0.479 200 M N 0.316 119.861 119.600 -0.092 0.000 2.288 200 M HA -0.018 4.462 4.480 -0.000 0.000 0.266 200 M C 2.192 178.421 176.300 -0.119 0.000 1.072 200 M CA 0.861 56.105 55.300 -0.094 0.000 1.132 200 M CB 0.013 32.566 32.600 -0.079 0.000 1.386 200 M HN 0.163 nan 8.290 nan 0.000 0.432 201 I N 0.029 120.485 120.570 -0.191 0.000 2.252 201 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 201 I C 2.506 178.561 176.117 -0.104 0.000 1.102 201 I CA 1.339 62.523 61.300 -0.193 0.000 1.385 201 I CB -0.344 37.473 38.000 -0.305 0.000 1.064 201 I HN 0.354 nan 8.210 nan 0.000 0.414 202 E N 0.686 120.840 120.200 -0.077 0.000 2.106 202 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 202 E C 2.229 178.803 176.600 -0.043 0.000 0.984 202 E CA 1.609 57.980 56.400 -0.050 0.000 0.806 202 E CB 0.069 29.747 29.700 -0.037 0.000 0.750 202 E HN 0.494 nan 8.360 nan 0.000 0.458 203 S N -1.034 114.638 115.700 -0.046 0.000 2.446 203 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 203 S C 1.500 176.081 174.600 -0.032 0.000 1.016 203 S CA 0.877 59.056 58.200 -0.036 0.000 0.943 203 S CB 0.348 63.527 63.200 -0.035 0.000 0.786 203 S HN 0.482 nan 8.310 nan 0.000 0.508 204 G N 0.392 109.168 108.800 -0.040 0.000 2.141 204 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.195 204 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.195 204 G C 0.574 175.461 174.900 -0.021 0.000 1.012 204 G CA 0.439 45.520 45.100 -0.032 0.000 0.696 204 G HN 1.442 nan 8.290 nan 0.000 0.508 205 V N -2.356 117.544 119.914 -0.024 0.000 3.354 205 V HA 0.523 4.643 4.120 -0.000 0.000 0.258 205 V C 0.867 176.956 176.094 -0.009 0.000 1.159 205 V CA 0.409 62.706 62.300 -0.005 0.000 1.125 205 V CB 0.015 31.840 31.823 0.004 0.000 0.774 205 V HN 0.303 nan 8.190 nan 0.000 0.464 206 I N 2.608 123.157 120.570 -0.036 0.000 2.378 206 I HA 0.524 4.694 4.170 -0.000 0.000 0.291 206 I C -0.667 175.417 176.117 -0.055 0.000 0.992 206 I CA -0.264 61.011 61.300 -0.043 0.000 1.154 206 I CB 1.131 39.081 38.000 -0.084 0.000 1.315 206 I HN 0.244 nan 8.210 nan 0.000 0.448 207 N N 6.553 125.234 118.700 -0.032 0.000 2.573 207 N HA 0.312 5.052 4.740 -0.000 0.000 0.262 207 N C 0.525 176.024 175.510 -0.019 0.000 1.029 207 N CA -0.325 52.708 53.050 -0.029 0.000 0.882 207 N CB 1.635 40.113 38.487 -0.015 0.000 1.204 207 N HN 0.484 nan 8.380 nan 0.000 0.519 208 L N 1.959 123.166 121.223 -0.027 0.000 2.551 208 L HA -0.008 4.332 4.340 -0.000 0.000 0.228 208 L C 1.818 178.688 176.870 0.000 0.000 1.153 208 L CA 0.745 55.581 54.840 -0.007 0.000 0.851 208 L CB -0.021 42.031 42.059 -0.012 0.000 0.959 208 L HN 0.265 nan 8.230 nan 0.000 0.451 209 K N -1.336 119.061 120.400 -0.004 0.000 2.367 209 K HA 0.199 4.519 4.320 -0.000 0.000 0.198 209 K C 0.326 176.927 176.600 0.001 0.000 1.132 209 K CA 0.122 56.409 56.287 -0.001 0.000 0.941 209 K CB 0.400 32.898 32.500 -0.003 0.000 1.052 209 K HN 0.097 nan 8.250 nan 0.000 0.507 210 D N 0.232 120.632 120.400 -0.000 0.000 2.469 210 D HA 0.306 4.946 4.640 -0.000 0.000 0.278 210 D C 0.238 176.541 176.300 0.006 0.000 1.231 210 D CA -0.023 53.979 54.000 0.003 0.000 1.075 210 D CB 0.819 41.621 40.800 0.003 0.000 1.121 210 D HN 0.057 nan 8.370 nan 0.000 0.571 211 A N -0.890 121.936 122.820 0.010 0.000 2.571 211 A HA 0.137 4.457 4.320 -0.000 0.000 0.274 211 A C 0.980 178.575 177.584 0.018 0.000 1.196 211 A CA 0.085 52.130 52.037 0.012 0.000 0.957 211 A CB -0.292 18.718 19.000 0.018 0.000 1.150 211 A HN 0.434 nan 8.150 nan 0.000 0.539 212 T N -1.736 112.829 114.554 0.018 0.000 3.144 212 T HA 0.164 4.513 4.350 -0.000 0.000 0.249 212 T C 0.617 175.334 174.700 0.027 0.000 1.089 212 T CA 0.285 62.403 62.100 0.030 0.000 0.989 212 T CB -0.475 68.407 68.868 0.023 0.000 0.992 212 T HN 0.136 nan 8.240 nan 0.000 0.540 213 S N 1.806 117.509 115.700 0.005 0.000 2.558 213 S HA 0.145 4.615 4.470 -0.000 0.000 0.293 213 S C 0.983 175.574 174.600 -0.015 0.000 1.292 213 S CA -0.263 57.933 58.200 -0.007 0.000 1.063 213 S CB 0.901 64.091 63.200 -0.016 0.000 0.831 213 S HN 0.463 nan 8.310 nan 0.000 0.499 214 K N 0.988 121.396 120.400 0.014 0.000 2.355 214 K HA 0.218 4.538 4.320 -0.000 0.000 0.198 214 K C -0.613 176.001 176.600 0.023 0.000 1.039 214 K CA 0.230 56.554 56.287 0.063 0.000 1.075 214 K CB 0.644 33.204 32.500 0.101 0.000 0.870 214 K HN 0.385 nan 8.250 nan 0.000 0.540 215 V N 1.108 121.024 119.914 0.002 0.000 2.638 215 V HA 0.499 4.619 4.120 -0.000 0.000 0.306 215 V C -0.763 175.358 176.094 0.045 0.000 1.052 215 V CA -1.351 60.976 62.300 0.045 0.000 0.885 215 V CB 1.577 33.458 31.823 0.097 0.000 0.999 215 V HN 0.050 nan 8.190 nan 0.000 0.424 216 A N 5.593 128.458 122.820 0.076 0.000 2.290 216 A HA 0.846 5.166 4.320 -0.000 0.000 0.310 216 A C -0.656 177.019 177.584 0.152 0.000 1.202 216 A CA -0.407 51.700 52.037 0.117 0.000 0.837 216 A CB 0.431 19.543 19.000 0.186 0.000 1.139 216 A HN 0.823 nan 8.150 nan 0.000 0.509 217 L N 3.155 124.467 121.223 0.147 0.000 2.307 217 L HA 0.571 4.911 4.340 -0.000 0.000 0.284 217 L C -0.904 176.047 176.870 0.135 0.000 1.023 217 L CA -0.791 54.164 54.840 0.191 0.000 0.810 217 L CB 1.765 44.002 42.059 0.296 0.000 1.231 217 L HN 0.435 nan 8.230 nan 0.000 0.423 218 V N 3.206 123.141 119.914 0.035 0.000 2.531 218 V HA 0.461 4.581 4.120 -0.000 0.000 0.301 218 V C -1.191 174.820 176.094 -0.139 0.000 1.034 218 V CA -0.714 61.584 62.300 -0.003 0.000 0.865 218 V CB 1.738 33.537 31.823 -0.039 0.000 0.995 218 V HN 0.451 nan 8.190 nan 0.000 0.424 219 Y N 1.546 121.868 120.300 0.036 0.000 2.406 219 Y HA 0.752 5.302 4.550 -0.000 0.000 0.340 219 Y C 0.498 176.409 175.900 0.018 0.000 0.975 219 Y CA -0.592 57.533 58.100 0.043 0.000 1.056 219 Y CB 2.853 41.329 38.460 0.028 0.000 1.210 219 Y HN 0.751 nan 8.280 nan 0.000 0.448 220 G N 3.915 112.814 108.800 0.165 0.000 3.025 220 G HA2 0.360 4.320 3.960 -0.000 0.000 0.305 220 G HA3 0.360 4.320 3.960 -0.000 0.000 0.305 220 G C -1.110 173.848 174.900 0.097 0.000 1.568 220 G CA -0.527 44.633 45.100 0.100 0.000 0.916 220 G HN 0.313 nan 8.290 nan 0.000 0.502 221 Q N 1.100 120.966 119.800 0.110 0.000 2.298 221 Q HA 0.414 4.754 4.340 -0.000 0.000 0.181 221 Q C 1.823 177.855 176.000 0.055 0.000 1.004 221 Q CA -0.945 54.920 55.803 0.102 0.000 1.050 221 Q CB 0.635 29.448 28.738 0.125 0.000 1.254 221 Q HN 0.504 nan 8.270 nan 0.000 0.531 222 M N 0.981 120.609 119.600 0.047 0.000 2.539 222 M HA -0.159 4.321 4.480 -0.000 0.000 0.261 222 M C 1.265 177.574 176.300 0.016 0.000 1.069 222 M CA 1.284 56.598 55.300 0.024 0.000 1.081 222 M CB -0.472 32.141 32.600 0.022 0.000 1.412 222 M HN 0.552 nan 8.290 nan 0.000 0.482 223 N N -0.810 117.902 118.700 0.020 0.000 2.325 223 N HA 0.027 4.767 4.740 -0.000 0.000 0.182 223 N C -0.140 175.377 175.510 0.011 0.000 1.088 223 N CA -0.190 52.868 53.050 0.013 0.000 0.879 223 N CB 0.233 38.727 38.487 0.011 0.000 0.983 223 N HN 0.164 nan 8.380 nan 0.000 0.471 224 E N 1.915 122.125 120.200 0.016 0.000 2.343 224 E HA 0.288 4.638 4.350 -0.000 0.000 0.269 224 E C -2.206 174.398 176.600 0.007 0.000 1.047 224 E CA -2.024 54.385 56.400 0.014 0.000 0.874 224 E CB 0.533 30.246 29.700 0.022 0.000 1.033 224 E HN 0.110 nan 8.360 nan 0.000 0.409 225 P HA -0.044 nan 4.420 nan 0.000 0.269 225 P C -1.723 175.575 177.300 -0.004 0.000 1.211 225 P CA -0.696 62.404 63.100 0.000 0.000 0.781 225 P CB -0.035 31.667 31.700 0.003 0.000 0.877 226 P HA -0.193 nan 4.420 nan 0.000 0.215 226 P C 1.526 178.815 177.300 -0.018 0.000 1.157 226 P CA 2.045 65.130 63.100 -0.024 0.000 0.868 226 P CB -0.598 31.083 31.700 -0.032 0.000 0.788 227 G N 0.729 109.526 108.800 -0.006 0.000 2.513 227 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 227 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 227 G C 1.864 176.777 174.900 0.021 0.000 1.160 227 G CA 1.583 46.689 45.100 0.009 0.000 0.767 227 G HN 0.392 nan 8.290 nan 0.000 0.571 228 A N 0.652 123.482 122.820 0.018 0.000 1.883 228 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 228 A C 2.455 180.055 177.584 0.027 0.000 1.186 228 A CA 1.802 53.852 52.037 0.023 0.000 0.624 228 A CB -0.427 18.585 19.000 0.021 0.000 0.822 228 A HN 0.374 nan 8.150 nan 0.000 0.444 229 R N -0.671 119.841 120.500 0.019 0.000 2.148 229 R HA 0.017 4.357 4.340 -0.000 0.000 0.227 229 R C 2.225 178.555 176.300 0.051 0.000 1.103 229 R CA 0.889 57.003 56.100 0.022 0.000 0.983 229 R CB -0.349 29.949 30.300 -0.003 0.000 0.874 229 R HN 0.513 nan 8.270 nan 0.000 0.451 230 A N 0.600 123.443 122.820 0.038 0.000 2.119 230 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 230 A C 1.749 179.456 177.584 0.205 0.000 1.153 230 A CA 0.973 53.050 52.037 0.067 0.000 0.692 230 A CB 0.059 19.049 19.000 -0.016 0.000 0.799 230 A HN 0.091 nan 8.150 nan 0.000 0.458 231 R N -1.473 119.098 120.500 0.118 0.000 2.342 231 R HA 0.122 4.462 4.340 -0.000 0.000 0.204 231 R C 1.790 178.093 176.300 0.005 0.000 0.882 231 R CA 0.994 57.137 56.100 0.073 0.000 1.041 231 R CB -0.535 29.790 30.300 0.041 0.000 1.188 231 R HN 0.367 nan 8.270 nan 0.000 0.598 232 V N 1.946 121.865 119.914 0.009 0.000 2.313 232 V HA -0.306 3.814 4.120 -0.000 0.000 0.253 232 V C 2.586 178.633 176.094 -0.077 0.000 1.070 232 V CA 2.305 64.589 62.300 -0.027 0.000 1.057 232 V CB -1.082 30.732 31.823 -0.015 0.000 0.653 232 V HN 0.279 nan 8.190 nan 0.000 0.450 233 A N -0.123 122.641 122.820 -0.093 0.000 1.978 233 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 233 A C 2.219 179.678 177.584 -0.208 0.000 1.170 233 A CA 1.952 53.874 52.037 -0.192 0.000 0.636 233 A CB -0.521 18.291 19.000 -0.314 0.000 0.810 233 A HN 0.564 nan 8.150 nan 0.000 0.448 234 L N -1.109 120.007 121.223 -0.178 0.000 2.156 234 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 234 L C 2.688 179.468 176.870 -0.150 0.000 1.095 234 L CA 1.522 56.252 54.840 -0.183 0.000 0.770 234 L CB -0.931 41.001 42.059 -0.211 0.000 0.914 234 L HN 0.325 nan 8.230 nan 0.000 0.439 235 T N -0.098 114.383 114.554 -0.121 0.000 2.701 235 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 235 T C 1.893 176.543 174.700 -0.083 0.000 1.040 235 T CA 1.416 63.461 62.100 -0.092 0.000 1.147 235 T CB -0.549 68.281 68.868 -0.064 0.000 0.865 235 T HN 0.513 nan 8.240 nan 0.000 0.426 236 G N 1.571 110.317 108.800 -0.090 0.000 2.432 236 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.219 236 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.219 236 G C 1.538 176.394 174.900 -0.074 0.000 1.135 236 G CA 0.722 45.775 45.100 -0.078 0.000 0.767 236 G HN 0.386 nan 8.290 nan 0.000 0.550 237 L N 1.255 122.414 121.223 -0.107 0.000 2.017 237 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 237 L C 2.773 179.601 176.870 -0.071 0.000 1.073 237 L CA 2.680 57.458 54.840 -0.104 0.000 0.745 237 L CB -1.211 40.761 42.059 -0.145 0.000 0.894 237 L HN 0.179 nan 8.230 nan 0.000 0.432 238 T N -0.896 113.611 114.554 -0.078 0.000 2.788 238 T HA -0.134 4.216 4.350 -0.000 0.000 0.268 238 T C 2.027 176.689 174.700 -0.064 0.000 1.044 238 T CA 1.515 63.576 62.100 -0.065 0.000 1.139 238 T CB -0.488 68.335 68.868 -0.076 0.000 0.867 238 T HN 0.227 nan 8.240 nan 0.000 0.454 239 V N 1.809 121.682 119.914 -0.068 0.000 2.332 239 V HA -0.178 3.942 4.120 -0.000 0.000 0.248 239 V C 2.886 178.970 176.094 -0.017 0.000 1.055 239 V CA 1.746 63.993 62.300 -0.088 0.000 1.038 239 V CB -1.167 30.651 31.823 -0.009 0.000 0.651 239 V HN 0.550 nan 8.190 nan 0.000 0.450 240 A N -0.899 121.964 122.820 0.073 0.000 2.014 240 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 240 A C 2.185 179.828 177.584 0.098 0.000 1.163 240 A CA 1.347 53.479 52.037 0.159 0.000 0.652 240 A CB -0.365 18.680 19.000 0.075 0.000 0.808 240 A HN 0.593 nan 8.150 nan 0.000 0.449 241 E N -1.429 118.786 120.200 0.024 0.000 2.077 241 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 241 E C 1.774 178.377 176.600 0.005 0.000 0.989 241 E CA 1.455 57.859 56.400 0.006 0.000 0.800 241 E CB -0.297 29.395 29.700 -0.012 0.000 0.746 241 E HN 0.786 nan 8.360 nan 0.000 0.452 242 Y N 0.472 120.680 120.300 -0.155 0.000 2.070 242 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 242 Y C 1.850 177.678 175.900 -0.121 0.000 1.148 242 Y CA 1.857 59.827 58.100 -0.216 0.000 1.125 242 Y CB -0.520 37.694 38.460 -0.411 0.000 0.975 242 Y HN -0.008 nan 8.280 nan 0.000 0.492 243 F N 0.056 120.090 119.950 0.139 0.000 2.307 243 F HA -0.192 4.335 4.527 -0.000 0.000 0.301 243 F C 2.719 178.508 175.800 -0.018 0.000 1.076 243 F CA 1.305 59.369 58.000 0.106 0.000 1.383 243 F CB -0.288 38.873 39.000 0.269 0.000 1.055 243 F HN 0.040 nan 8.300 nan 0.000 0.526 244 R N 0.525 121.095 120.500 0.117 0.000 2.062 244 R HA -0.106 4.234 4.340 -0.000 0.000 0.226 244 R C 1.525 177.801 176.300 -0.040 0.000 1.125 244 R CA 1.757 57.879 56.100 0.038 0.000 0.966 244 R CB -0.185 30.129 30.300 0.023 0.000 0.861 244 R HN 0.138 nan 8.270 nan 0.000 0.433 245 D N 0.855 121.195 120.400 -0.099 0.000 2.191 245 D HA -0.080 4.560 4.640 -0.000 0.000 0.221 245 D C 0.741 176.923 176.300 -0.197 0.000 1.006 245 D CA 0.850 54.774 54.000 -0.128 0.000 0.910 245 D CB -0.413 40.316 40.800 -0.118 0.000 1.031 245 D HN 0.157 nan 8.370 nan 0.000 0.447 246 Q N 0.805 120.376 119.800 -0.381 0.000 2.903 246 Q HA 0.110 4.450 4.340 -0.000 0.000 0.295 246 Q C -0.048 175.711 176.000 -0.401 0.000 1.157 246 Q CA 0.481 56.022 55.803 -0.437 0.000 0.930 246 Q CB 0.511 28.896 28.738 -0.588 0.000 1.571 246 Q HN 0.423 nan 8.270 nan 0.000 0.440 247 E N -0.914 119.167 120.200 -0.198 0.000 2.560 247 E HA 0.138 4.488 4.350 -0.000 0.000 0.190 247 E C 0.314 176.883 176.600 -0.052 0.000 0.956 247 E CA 0.469 56.825 56.400 -0.072 0.000 1.515 247 E CB 0.552 30.267 29.700 0.024 0.000 1.930 247 E HN 0.475 nan 8.360 nan 0.000 0.939 248 G N 2.134 110.896 108.800 -0.064 0.000 2.314 248 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.292 248 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.292 248 G C 0.013 174.885 174.900 -0.047 0.000 1.059 248 G CA 1.047 46.117 45.100 -0.049 0.000 0.982 248 G HN 0.145 nan 8.290 nan 0.000 0.505 249 Q N -1.219 118.557 119.800 -0.041 0.000 3.146 249 Q HA 0.538 4.878 4.340 -0.000 0.000 0.318 249 Q C -1.274 174.711 176.000 -0.025 0.000 0.992 249 Q CA -0.854 54.915 55.803 -0.056 0.000 0.809 249 Q CB 1.269 29.952 28.738 -0.091 0.000 1.490 249 Q HN 0.214 nan 8.270 nan 0.000 0.493 250 D N 0.534 120.915 120.400 -0.032 0.000 2.502 250 D HA 0.472 5.112 4.640 -0.000 0.000 0.249 250 D C -1.361 175.004 176.300 0.108 0.000 1.092 250 D CA -0.241 53.783 54.000 0.040 0.000 0.839 250 D CB 1.841 42.676 40.800 0.060 0.000 1.264 250 D HN 0.124 nan 8.370 nan 0.000 0.511 251 V N 2.493 122.471 119.914 0.107 0.000 2.628 251 V HA 0.535 4.655 4.120 -0.000 0.000 0.306 251 V C 0.038 176.136 176.094 0.007 0.000 1.045 251 V CA -0.939 61.430 62.300 0.115 0.000 0.905 251 V CB 1.744 33.652 31.823 0.142 0.000 0.997 251 V HN 0.363 nan 8.190 nan 0.000 0.436 252 L N 4.293 125.495 121.223 -0.037 0.000 2.317 252 L HA 0.622 4.962 4.340 -0.000 0.000 0.281 252 L C -0.854 175.832 176.870 -0.307 0.000 1.024 252 L CA -0.605 54.067 54.840 -0.280 0.000 0.810 252 L CB 1.732 43.603 42.059 -0.312 0.000 1.240 252 L HN 0.478 nan 8.230 nan 0.000 0.427 253 L N 3.794 124.702 121.223 -0.524 0.000 2.372 253 L HA 0.529 4.869 4.340 -0.000 0.000 0.274 253 L C -1.387 175.124 176.870 -0.598 0.000 0.988 253 L CA 0.090 54.696 54.840 -0.391 0.000 0.833 253 L CB 1.093 43.011 42.059 -0.234 0.000 1.236 253 L HN 0.216 nan 8.230 nan 0.000 0.410 254 F N 6.297 126.147 119.950 -0.167 0.000 2.375 254 F HA 0.547 5.074 4.527 -0.000 0.000 0.361 254 F C 0.025 175.484 175.800 -0.568 0.000 1.117 254 F CA -0.458 57.377 58.000 -0.275 0.000 1.037 254 F CB 1.010 39.939 39.000 -0.119 0.000 1.192 254 F HN 0.231 nan 8.300 nan 0.000 0.452 255 I N 3.105 123.486 120.570 -0.314 0.000 2.377 255 I HA 0.354 4.524 4.170 -0.000 0.000 0.293 255 I C -0.936 174.995 176.117 -0.310 0.000 0.987 255 I CA -0.360 60.708 61.300 -0.387 0.000 1.185 255 I CB 1.652 39.486 38.000 -0.277 0.000 1.341 255 I HN 0.435 nan 8.210 nan 0.000 0.455 256 D N 6.047 126.243 120.400 -0.341 0.000 2.616 256 D HA 0.225 4.865 4.640 -0.000 0.000 0.238 256 D C -1.469 174.804 176.300 -0.045 0.000 1.354 256 D CA -0.405 53.525 54.000 -0.118 0.000 0.970 256 D CB 1.162 41.960 40.800 -0.003 0.000 1.369 256 D HN 0.384 nan 8.370 nan 0.000 0.585 257 N N 4.171 122.875 118.700 0.006 0.000 2.314 257 N HA 0.207 4.947 4.740 -0.000 0.000 0.294 257 N C 0.584 176.117 175.510 0.039 0.000 1.029 257 N CA -0.502 52.570 53.050 0.036 0.000 0.845 257 N CB 1.752 40.314 38.487 0.124 0.000 1.321 257 N HN 0.383 nan 8.380 nan 0.000 0.481 258 I N 3.968 124.545 120.570 0.011 0.000 2.614 258 I HA -0.086 4.084 4.170 -0.000 0.000 0.258 258 I C 1.695 177.897 176.117 0.141 0.000 1.189 258 I CA 0.766 62.075 61.300 0.014 0.000 1.462 258 I CB -0.463 37.486 38.000 -0.085 0.000 1.092 258 I HN 0.611 nan 8.210 nan 0.000 0.442 259 F N 1.655 121.639 119.950 0.055 0.000 2.161 259 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 259 F C 2.315 178.185 175.800 0.116 0.000 1.089 259 F CA 1.551 59.616 58.000 0.109 0.000 1.282 259 F CB -0.422 38.681 39.000 0.173 0.000 1.010 259 F HN -0.011 nan 8.300 nan 0.000 0.485 260 R N -0.052 120.352 120.500 -0.161 0.000 2.152 260 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 260 R C 2.200 178.384 176.300 -0.193 0.000 1.117 260 R CA 1.387 57.323 56.100 -0.274 0.000 0.981 260 R CB -1.678 28.580 30.300 -0.070 0.000 0.870 260 R HN 0.487 nan 8.270 nan 0.000 0.451 261 F N 2.100 121.929 119.950 -0.203 0.000 2.069 261 F HA -0.221 4.306 4.527 -0.000 0.000 0.298 261 F C 2.040 177.739 175.800 -0.169 0.000 1.113 261 F CA 1.927 59.837 58.000 -0.151 0.000 1.214 261 F CB -0.627 38.304 39.000 -0.116 0.000 0.978 261 F HN -0.128 nan 8.300 nan 0.000 0.474 262 T N 0.446 114.765 114.554 -0.391 0.000 2.708 262 T HA -0.266 4.084 4.350 -0.000 0.000 0.266 262 T C 1.935 176.413 174.700 -0.370 0.000 1.037 262 T CA 1.626 63.461 62.100 -0.442 0.000 1.146 262 T CB -0.518 68.253 68.868 -0.161 0.000 0.865 262 T HN 0.467 nan 8.240 nan 0.000 0.435 263 Q N 0.668 120.137 119.800 -0.552 0.000 2.096 263 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 263 Q C 2.420 178.273 176.000 -0.245 0.000 0.982 263 Q CA 1.656 57.197 55.803 -0.437 0.000 0.850 263 Q CB -0.295 27.957 28.738 -0.809 0.000 0.901 263 Q HN 0.554 nan 8.270 nan 0.000 0.422 264 A N 0.106 122.768 122.820 -0.264 0.000 2.015 264 A HA -0.038 4.282 4.320 -0.000 0.000 0.219 264 A C 2.178 179.656 177.584 -0.176 0.000 1.163 264 A CA 1.290 53.221 52.037 -0.177 0.000 0.646 264 A CB -0.872 18.044 19.000 -0.140 0.000 0.806 264 A HN 0.594 nan 8.150 nan 0.000 0.448 265 G N 0.006 108.648 108.800 -0.263 0.000 2.408 265 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.217 265 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.217 265 G C 1.796 176.634 174.900 -0.103 0.000 1.150 265 G CA 1.369 46.334 45.100 -0.225 0.000 0.776 265 G HN 0.603 nan 8.290 nan 0.000 0.542 266 S N 1.104 116.770 115.700 -0.056 0.000 2.368 266 S HA -0.089 4.381 4.470 -0.000 0.000 0.224 266 S C 1.957 176.539 174.600 -0.029 0.000 1.029 266 S CA 1.357 59.557 58.200 0.000 0.000 0.988 266 S CB -0.311 62.907 63.200 0.029 0.000 0.838 266 S HN 0.605 nan 8.310 nan 0.000 0.462 267 E N 1.205 121.377 120.200 -0.048 0.000 2.058 267 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 267 E C 2.466 179.047 176.600 -0.032 0.000 0.997 267 E CA 1.631 58.007 56.400 -0.041 0.000 0.801 267 E CB -0.539 29.133 29.700 -0.047 0.000 0.746 267 E HN 0.598 nan 8.360 nan 0.000 0.450 268 V N -0.848 119.043 119.914 -0.038 0.000 2.591 268 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 268 V C 2.327 178.410 176.094 -0.019 0.000 1.053 268 V CA 1.856 64.141 62.300 -0.026 0.000 1.068 268 V CB 0.055 31.863 31.823 -0.026 0.000 0.689 268 V HN 0.153 nan 8.190 nan 0.000 0.462 269 S N 1.010 116.696 115.700 -0.023 0.000 2.383 269 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 269 S C 2.151 176.748 174.600 -0.004 0.000 1.030 269 S CA 1.964 60.157 58.200 -0.011 0.000 1.002 269 S CB -0.618 62.579 63.200 -0.005 0.000 0.829 269 S HN 1.063 nan 8.310 nan 0.000 0.467 270 A N 1.442 124.257 122.820 -0.007 0.000 1.858 270 A HA 0.053 4.373 4.320 -0.000 0.000 0.216 270 A C 2.171 179.753 177.584 -0.004 0.000 1.190 270 A CA 1.591 53.624 52.037 -0.006 0.000 0.617 270 A CB -0.837 18.156 19.000 -0.011 0.000 0.827 270 A HN 0.593 nan 8.150 nan 0.000 0.443 271 L N -0.603 120.617 121.223 -0.006 0.000 2.291 271 L HA -0.027 4.313 4.340 -0.000 0.000 0.214 271 L C 2.039 178.910 176.870 0.001 0.000 1.120 271 L CA 0.362 55.201 54.840 -0.003 0.000 0.799 271 L CB -0.427 41.630 42.059 -0.004 0.000 0.925 271 L HN 0.306 nan 8.230 nan 0.000 0.446 272 L N 0.169 121.392 121.223 0.001 0.000 2.465 272 L HA 0.076 4.416 4.340 -0.000 0.000 0.224 272 L C 1.353 178.227 176.870 0.006 0.000 1.145 272 L CA 0.563 55.406 54.840 0.005 0.000 0.834 272 L CB -0.664 41.397 42.059 0.004 0.000 0.944 272 L HN 0.491 nan 8.230 nan 0.000 0.451 273 G N 0.953 109.756 108.800 0.005 0.000 2.225 273 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.264 273 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.264 273 G C 0.152 175.056 174.900 0.008 0.000 1.060 273 G CA -0.089 45.015 45.100 0.006 0.000 0.833 273 G HN 0.321 nan 8.290 nan 0.000 0.498 274 R N -1.124 119.381 120.500 0.009 0.000 2.583 274 R HA 0.666 5.006 4.340 -0.000 0.000 0.268 274 R C 0.957 177.265 176.300 0.013 0.000 1.101 274 R CA -0.680 55.426 56.100 0.011 0.000 1.180 274 R CB 0.679 30.987 30.300 0.013 0.000 1.128 274 R HN 0.270 nan 8.270 nan 0.000 0.568 275 I N 3.792 124.370 120.570 0.015 0.000 2.396 275 I HA 0.153 4.323 4.170 -0.000 0.000 0.289 275 I C -1.689 174.442 176.117 0.024 0.000 1.056 275 I CA -1.726 59.584 61.300 0.017 0.000 1.365 275 I CB 0.762 38.772 38.000 0.016 0.000 1.407 275 I HN 0.347 nan 8.210 nan 0.000 0.509 276 P HA 0.083 nan 4.420 nan 0.000 0.272 276 P C -0.173 177.156 177.300 0.048 0.000 1.230 276 P CA -0.265 62.858 63.100 0.038 0.000 0.788 276 P CB 1.197 32.914 31.700 0.028 0.000 0.949 277 S N 0.735 116.479 115.700 0.073 0.000 2.307 277 S HA 0.548 5.018 4.470 -0.000 0.000 0.252 277 S C 0.322 174.977 174.600 0.091 0.000 1.204 277 S CA -0.147 58.101 58.200 0.080 0.000 1.018 277 S CB -0.271 62.985 63.200 0.094 0.000 1.077 277 S HN 0.630 nan 8.310 nan 0.000 0.454 278 A N -0.130 122.756 122.820 0.110 0.000 2.406 278 A HA 0.461 4.781 4.320 -0.000 0.000 0.243 278 A C 1.087 178.762 177.584 0.151 0.000 1.082 278 A CA 0.247 52.351 52.037 0.113 0.000 0.786 278 A CB -0.544 18.523 19.000 0.113 0.000 1.029 278 A HN 1.636 nan 8.150 nan 0.000 0.495 279 V N 0.154 120.123 119.914 0.092 0.000 2.112 279 V HA -0.337 3.783 4.120 -0.000 0.000 0.103 279 V C 1.853 177.894 176.094 -0.089 0.000 0.457 279 V CA 1.929 64.249 62.300 0.034 0.000 1.359 279 V CB -2.453 29.439 31.823 0.115 0.000 1.601 279 V HN 2.943 nan 8.190 nan 0.000 0.928 280 G N -2.456 106.325 108.800 -0.032 0.000 2.258 280 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.233 280 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.233 280 G C 0.044 174.923 174.900 -0.035 0.000 1.006 280 G CA 0.197 45.258 45.100 -0.065 0.000 0.620 280 G HN 0.859 nan 8.290 nan 0.000 0.511 281 Y N 2.784 123.105 120.300 0.035 0.000 2.709 281 Y HA 0.218 4.768 4.550 -0.000 0.000 0.348 281 Y C 1.628 177.534 175.900 0.010 0.000 1.267 281 Y CA 0.426 58.542 58.100 0.027 0.000 1.486 281 Y CB 0.421 38.910 38.460 0.047 0.000 1.356 281 Y HN 0.456 nan 8.280 nan 0.000 0.639 282 Q N 4.654 124.581 119.800 0.211 0.000 2.330 282 Q HA 0.017 4.357 4.340 -0.000 0.000 0.279 282 Q C -2.265 173.781 176.000 0.077 0.000 1.024 282 Q CA -1.545 54.313 55.803 0.092 0.000 0.900 282 Q CB 0.977 29.738 28.738 0.038 0.000 1.221 282 Q HN 0.408 nan 8.270 nan 0.000 0.396 283 P HA -0.121 nan 4.420 nan 0.000 0.225 283 P C 1.042 178.360 177.300 0.029 0.000 1.148 283 P CA 1.478 64.604 63.100 0.043 0.000 0.779 283 P CB -0.028 31.692 31.700 0.033 0.000 0.780 284 T N -4.008 110.558 114.554 0.019 0.000 3.107 284 T HA 0.089 4.439 4.350 -0.000 0.000 0.249 284 T C 1.697 176.401 174.700 0.008 0.000 1.096 284 T CA -0.257 61.851 62.100 0.013 0.000 1.012 284 T CB -1.059 67.812 68.868 0.006 0.000 0.977 284 T HN -0.090 nan 8.240 nan 0.000 0.527 285 L N 1.073 122.294 121.223 -0.003 0.000 2.077 285 L HA -0.322 4.018 4.340 -0.000 0.000 0.231 285 L C 2.750 179.624 176.870 0.007 0.000 1.100 285 L CA 2.510 57.330 54.840 -0.033 0.000 0.819 285 L CB -0.679 41.334 42.059 -0.077 0.000 0.913 285 L HN 0.459 nan 8.230 nan 0.000 0.446 286 A N -2.013 120.830 122.820 0.037 0.000 1.984 286 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 286 A C 2.208 179.860 177.584 0.114 0.000 1.173 286 A CA 1.201 53.291 52.037 0.088 0.000 0.673 286 A CB -0.726 18.321 19.000 0.078 0.000 0.830 286 A HN 0.635 nan 8.150 nan 0.000 0.453 287 T N -1.709 112.893 114.554 0.080 0.000 2.812 287 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 287 T C 1.361 176.117 174.700 0.092 0.000 1.042 287 T CA 1.377 63.525 62.100 0.079 0.000 1.140 287 T CB -0.514 68.386 68.868 0.053 0.000 0.870 287 T HN 0.275 nan 8.240 nan 0.000 0.445 288 D N 1.238 121.690 120.400 0.087 0.000 2.127 288 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 288 D C 1.978 178.426 176.300 0.248 0.000 1.000 288 D CA 1.497 55.578 54.000 0.135 0.000 0.839 288 D CB -0.542 40.275 40.800 0.028 0.000 0.955 288 D HN 0.364 nan 8.370 nan 0.000 0.446 289 M N 0.193 119.929 119.600 0.226 0.000 2.149 289 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 289 M C 1.992 178.268 176.300 -0.040 0.000 1.064 289 M CA 2.130 57.546 55.300 0.194 0.000 1.102 289 M CB -0.272 32.425 32.600 0.161 0.000 1.369 289 M HN 0.087 nan 8.290 nan 0.000 0.408 290 G N -0.477 108.363 108.800 0.065 0.000 2.484 290 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.215 290 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.215 290 G C 1.331 176.240 174.900 0.015 0.000 1.219 290 G CA 1.538 46.690 45.100 0.088 0.000 0.791 290 G HN 0.574 nan 8.290 nan 0.000 0.550 291 T N -0.831 113.750 114.554 0.046 0.000 2.897 291 T HA -0.085 4.265 4.350 -0.000 0.000 0.271 291 T C 2.140 176.835 174.700 -0.008 0.000 1.084 291 T CA 1.494 63.615 62.100 0.035 0.000 1.123 291 T CB -0.110 68.795 68.868 0.062 0.000 0.865 291 T HN 0.178 nan 8.240 nan 0.000 0.496 292 M N 0.322 119.886 119.600 -0.059 0.000 2.299 292 M HA 0.053 4.533 4.480 -0.000 0.000 0.264 292 M C 2.164 178.313 176.300 -0.251 0.000 1.095 292 M CA 1.284 56.463 55.300 -0.202 0.000 1.165 292 M CB -0.436 31.907 32.600 -0.427 0.000 1.349 292 M HN 0.118 nan 8.290 nan 0.000 0.446 293 Q N 0.446 120.067 119.800 -0.299 0.000 2.167 293 Q HA -0.099 4.241 4.340 -0.000 0.000 0.202 293 Q C 1.663 177.568 176.000 -0.159 0.000 0.970 293 Q CA 1.050 56.655 55.803 -0.330 0.000 0.855 293 Q CB -0.244 28.075 28.738 -0.698 0.000 0.911 293 Q HN 0.560 nan 8.270 nan 0.000 0.438 294 E N 0.392 120.543 120.200 -0.082 0.000 2.418 294 E HA -0.081 4.269 4.350 -0.000 0.000 0.197 294 E C 1.718 178.303 176.600 -0.025 0.000 1.026 294 E CA 0.330 56.726 56.400 -0.006 0.000 0.862 294 E CB 0.084 29.808 29.700 0.040 0.000 0.799 294 E HN 0.322 nan 8.360 nan 0.000 0.518 295 R N 0.199 120.664 120.500 -0.057 0.000 2.161 295 R HA 0.151 4.491 4.340 -0.000 0.000 0.213 295 R C 1.093 177.350 176.300 -0.072 0.000 1.055 295 R CA 0.254 56.319 56.100 -0.057 0.000 0.996 295 R CB 0.139 30.399 30.300 -0.066 0.000 0.901 295 R HN 0.068 nan 8.270 nan 0.000 0.456 296 I N 1.880 122.391 120.570 -0.099 0.000 2.268 296 I HA 0.035 4.205 4.170 -0.000 0.000 0.298 296 I C -0.006 176.065 176.117 -0.075 0.000 1.185 296 I CA 0.334 61.571 61.300 -0.104 0.000 1.548 296 I CB 0.137 38.049 38.000 -0.146 0.000 1.492 296 I HN -0.074 nan 8.210 nan 0.000 0.711 297 T N 2.606 117.127 114.554 -0.056 0.000 2.894 297 T HA 0.278 4.628 4.350 -0.000 0.000 0.309 297 T C -0.257 174.420 174.700 -0.038 0.000 1.208 297 T CA -0.299 61.777 62.100 -0.040 0.000 1.016 297 T CB 1.793 70.648 68.868 -0.021 0.000 1.192 297 T HN 0.253 nan 8.240 nan 0.000 0.491 298 T N 3.433 117.965 114.554 -0.036 0.000 2.884 298 T HA 0.542 4.892 4.350 -0.000 0.000 0.298 298 T C 0.500 175.178 174.700 -0.036 0.000 0.998 298 T CA -0.158 61.922 62.100 -0.034 0.000 1.124 298 T CB 0.567 69.416 68.868 -0.031 0.000 0.931 298 T HN 0.834 nan 8.240 nan 0.000 0.531 299 T N 0.511 115.043 114.554 -0.037 0.000 2.883 299 T HA 0.490 4.840 4.350 -0.000 0.000 0.284 299 T C 1.171 175.844 174.700 -0.045 0.000 1.041 299 T CA -1.022 61.052 62.100 -0.044 0.000 1.007 299 T CB 1.428 70.273 68.868 -0.040 0.000 1.220 299 T HN 0.374 nan 8.240 nan 0.000 0.552 300 K N -0.029 120.340 120.400 -0.051 0.000 2.147 300 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 300 K C 2.213 178.790 176.600 -0.039 0.000 1.049 300 K CA 1.052 57.310 56.287 -0.047 0.000 0.936 300 K CB -0.119 32.350 32.500 -0.052 0.000 0.722 300 K HN 0.500 nan 8.250 nan 0.000 0.446 301 K N -0.182 120.195 120.400 -0.038 0.000 2.283 301 K HA -0.047 4.273 4.320 -0.000 0.000 0.202 301 K C 0.347 176.925 176.600 -0.036 0.000 1.048 301 K CA 0.803 57.068 56.287 -0.037 0.000 0.948 301 K CB 0.310 32.786 32.500 -0.040 0.000 0.742 301 K HN 0.270 nan 8.250 nan 0.000 0.458 302 G N -0.672 108.109 108.800 -0.032 0.000 2.325 302 G HA2 0.116 4.076 3.960 -0.000 0.000 0.297 302 G HA3 0.116 4.076 3.960 -0.000 0.000 0.297 302 G C -1.616 173.272 174.900 -0.019 0.000 1.448 302 G CA -0.535 44.550 45.100 -0.024 0.000 0.838 302 G HN 0.065 nan 8.290 nan 0.000 0.579 303 S N -0.779 114.915 115.700 -0.010 0.000 2.503 303 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 303 S C -0.492 174.102 174.600 -0.010 0.000 1.087 303 S CA -0.751 57.441 58.200 -0.013 0.000 1.042 303 S CB 1.517 64.711 63.200 -0.010 0.000 1.043 303 S HN 0.731 nan 8.310 nan 0.000 0.489 304 I N 2.769 123.321 120.570 -0.031 0.000 2.362 304 I HA 0.263 4.433 4.170 -0.000 0.000 0.289 304 I C -0.221 175.839 176.117 -0.094 0.000 0.994 304 I CA -0.442 60.825 61.300 -0.056 0.000 1.158 304 I CB 2.069 40.032 38.000 -0.062 0.000 1.315 304 I HN 0.644 nan 8.210 nan 0.000 0.451 305 T N 4.767 119.241 114.554 -0.133 0.000 2.794 305 T HA 0.217 4.567 4.350 -0.000 0.000 0.304 305 T C 0.188 174.708 174.700 -0.299 0.000 0.973 305 T CA -0.538 61.451 62.100 -0.185 0.000 0.972 305 T CB 0.146 68.905 68.868 -0.181 0.000 0.952 305 T HN 0.644 nan 8.240 nan 0.000 0.509 306 S N 2.332 117.872 115.700 -0.267 0.000 2.462 306 S HA 0.627 5.097 4.470 -0.000 0.000 0.294 306 S C -0.240 174.161 174.600 -0.332 0.000 1.144 306 S CA -0.855 57.151 58.200 -0.323 0.000 1.088 306 S CB 1.324 64.383 63.200 -0.236 0.000 1.009 306 S HN 0.357 nan 8.310 nan 0.000 0.484 307 V N 3.785 123.469 119.914 -0.382 0.000 2.325 307 V HA 0.346 4.466 4.120 -0.000 0.000 0.280 307 V C -0.407 175.586 176.094 -0.168 0.000 1.016 307 V CA -0.535 61.615 62.300 -0.250 0.000 0.818 307 V CB 0.749 32.502 31.823 -0.118 0.000 1.019 307 V HN 0.931 nan 8.190 nan 0.000 0.434 308 Q N 3.023 122.709 119.800 -0.189 0.000 2.271 308 Q HA 0.758 5.098 4.340 -0.000 0.000 0.258 308 Q C -0.014 175.885 176.000 -0.167 0.000 0.936 308 Q CA -0.509 55.186 55.803 -0.181 0.000 0.909 308 Q CB 2.478 31.091 28.738 -0.208 0.000 1.253 308 Q HN 0.812 nan 8.270 nan 0.000 0.440 309 A N 3.423 126.174 122.820 -0.115 0.000 2.328 309 A HA 0.546 4.866 4.320 -0.000 0.000 0.284 309 A C -0.474 177.045 177.584 -0.108 0.000 1.160 309 A CA -0.391 51.597 52.037 -0.081 0.000 0.818 309 A CB 0.100 19.105 19.000 0.009 0.000 1.087 309 A HN 0.727 nan 8.150 nan 0.000 0.504 310 I N 2.591 123.045 120.570 -0.194 0.000 2.411 310 I HA 0.196 4.366 4.170 -0.000 0.000 0.284 310 I C -0.646 175.436 176.117 -0.059 0.000 1.012 310 I CA -0.425 60.747 61.300 -0.213 0.000 1.119 310 I CB 1.340 38.915 38.000 -0.708 0.000 1.261 310 I HN 0.722 nan 8.210 nan 0.000 0.448 311 Y N 7.110 127.374 120.300 -0.059 0.000 2.359 311 Y HA 0.475 5.025 4.550 -0.000 0.000 0.330 311 Y C -0.387 175.317 175.900 -0.327 0.000 1.143 311 Y CA -0.276 57.735 58.100 -0.148 0.000 1.318 311 Y CB 0.969 39.360 38.460 -0.115 0.000 1.234 311 Y HN 0.281 nan 8.280 nan 0.000 0.522 312 V N 8.632 128.027 119.914 -0.866 0.000 2.334 312 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 312 V C -2.278 173.283 176.094 -0.888 0.000 1.016 312 V CA -2.262 59.663 62.300 -0.626 0.000 0.832 312 V CB 0.842 32.509 31.823 -0.259 0.000 0.999 312 V HN 0.741 nan 8.190 nan 0.000 0.439 313 P HA 0.062 nan 4.420 nan 0.000 0.261 313 P C 0.688 177.903 177.300 -0.142 0.000 1.183 313 P CA 0.785 63.766 63.100 -0.200 0.000 0.761 313 P CB 0.494 32.202 31.700 0.014 0.000 0.785 314 A N 3.990 126.761 122.820 -0.083 0.000 2.715 314 A HA -0.278 4.042 4.320 -0.000 0.000 0.301 314 A C 0.996 178.545 177.584 -0.059 0.000 1.515 314 A CA 1.387 53.402 52.037 -0.037 0.000 0.816 314 A CB -2.588 16.416 19.000 0.008 0.000 1.004 314 A HN 0.691 nan 8.150 nan 0.000 0.483 315 D N -2.050 118.281 120.400 -0.116 0.000 3.039 315 D HA -0.187 4.453 4.640 -0.000 0.000 0.222 315 D C -0.216 176.056 176.300 -0.048 0.000 1.179 315 D CA 2.034 55.984 54.000 -0.084 0.000 0.880 315 D CB -0.605 40.167 40.800 -0.046 0.000 1.115 315 D HN 0.874 nan 8.370 nan 0.000 0.416 316 D N -0.031 120.344 120.400 -0.041 0.000 2.456 316 D HA 0.219 4.859 4.640 -0.000 0.000 0.219 316 D C 1.067 177.378 176.300 0.020 0.000 1.126 316 D CA -0.291 53.707 54.000 -0.003 0.000 0.890 316 D CB 0.316 41.125 40.800 0.015 0.000 1.025 316 D HN 0.170 nan 8.370 nan 0.000 0.511 317 L N 2.513 123.756 121.223 0.032 0.000 2.633 317 L HA -0.019 4.321 4.340 -0.000 0.000 0.235 317 L C 2.000 178.946 176.870 0.126 0.000 1.163 317 L CA 0.991 55.887 54.840 0.093 0.000 0.859 317 L CB -0.330 41.782 42.059 0.088 0.000 0.973 317 L HN 0.462 nan 8.230 nan 0.000 0.451 318 T N -5.797 108.802 114.554 0.076 0.000 3.069 318 T HA 0.012 4.362 4.350 -0.000 0.000 0.252 318 T C 0.692 175.449 174.700 0.095 0.000 1.053 318 T CA -0.496 61.649 62.100 0.075 0.000 0.964 318 T CB -0.144 68.745 68.868 0.036 0.000 1.005 318 T HN 0.154 nan 8.240 nan 0.000 0.532 319 D N 2.837 123.301 120.400 0.107 0.000 2.450 319 D HA 0.056 4.696 4.640 -0.000 0.000 0.247 319 D C -1.410 174.970 176.300 0.134 0.000 1.162 319 D CA -1.528 52.562 54.000 0.151 0.000 0.879 319 D CB 1.612 42.509 40.800 0.163 0.000 1.163 319 D HN -0.015 nan 8.370 nan 0.000 0.472 320 P HA -0.264 nan 4.420 nan 0.000 0.219 320 P C 0.974 178.226 177.300 -0.080 0.000 1.158 320 P CA 2.253 65.344 63.100 -0.014 0.000 0.895 320 P CB 0.075 31.715 31.700 -0.100 0.000 0.792 321 A N -0.048 122.669 122.820 -0.172 0.000 1.842 321 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 321 A C 0.037 177.684 177.584 0.106 0.000 1.206 321 A CA 2.983 55.005 52.037 -0.025 0.000 0.630 321 A CB -2.383 16.771 19.000 0.258 0.000 0.839 321 A HN 0.237 nan 8.150 nan 0.000 0.447 322 P HA -0.086 nan 4.420 nan 0.000 0.217 322 P C 1.582 178.964 177.300 0.136 0.000 1.150 322 P CA 1.906 65.098 63.100 0.153 0.000 0.832 322 P CB -0.242 31.557 31.700 0.166 0.000 0.787 323 A N 0.157 123.104 122.820 0.211 0.000 1.908 323 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 323 A C 2.242 180.009 177.584 0.305 0.000 1.181 323 A CA 2.576 54.805 52.037 0.320 0.000 0.627 323 A CB -1.925 17.185 19.000 0.183 0.000 0.818 323 A HN 0.238 nan 8.150 nan 0.000 0.445 324 T N -0.642 114.020 114.554 0.179 0.000 3.023 324 T HA -0.039 4.311 4.350 -0.000 0.000 0.266 324 T C 1.795 176.620 174.700 0.209 0.000 1.093 324 T CA 1.502 63.698 62.100 0.160 0.000 1.129 324 T CB -0.320 68.618 68.868 0.116 0.000 0.899 324 T HN 0.534 nan 8.240 nan 0.000 0.491 325 T N 1.821 116.491 114.554 0.194 0.000 2.915 325 T HA 0.037 4.387 4.350 -0.000 0.000 0.269 325 T C 1.472 176.301 174.700 0.216 0.000 1.071 325 T CA 0.748 62.971 62.100 0.204 0.000 1.132 325 T CB -0.506 68.398 68.868 0.061 0.000 0.878 325 T HN 0.377 nan 8.240 nan 0.000 0.479 326 F N 1.959 122.072 119.950 0.272 0.000 2.126 326 F HA -0.104 4.423 4.527 -0.000 0.000 0.299 326 F C 2.743 178.588 175.800 0.074 0.000 1.096 326 F CA 0.892 58.996 58.000 0.174 0.000 1.255 326 F CB -0.622 38.388 39.000 0.016 0.000 0.997 326 F HN 0.129 nan 8.300 nan 0.000 0.479 327 A N -0.989 121.927 122.820 0.161 0.000 2.084 327 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 327 A C 1.609 179.109 177.584 -0.139 0.000 1.161 327 A CA 1.717 53.721 52.037 -0.055 0.000 0.653 327 A CB -0.929 17.949 19.000 -0.204 0.000 0.802 327 A HN 0.497 nan 8.150 nan 0.000 0.457 328 H N -1.524 117.607 119.070 0.101 0.000 2.539 328 H HA 0.368 4.924 4.556 -0.000 0.000 0.269 328 H C -0.122 175.232 175.328 0.043 0.000 0.980 328 H CA 0.133 56.214 56.048 0.054 0.000 1.152 328 H CB -0.002 29.774 29.762 0.023 0.000 1.407 328 H HN 0.353 nan 8.280 nan 0.000 0.564 329 L N 0.102 121.423 121.223 0.162 0.000 2.322 329 L HA 0.227 4.567 4.340 -0.000 0.000 0.269 329 L C 0.834 177.766 176.870 0.104 0.000 1.012 329 L CA -0.603 54.311 54.840 0.124 0.000 0.815 329 L CB 1.770 43.928 42.059 0.165 0.000 1.295 329 L HN -0.161 nan 8.230 nan 0.000 0.438 330 D N 0.501 120.945 120.400 0.073 0.000 2.338 330 D HA 0.229 4.869 4.640 -0.000 0.000 0.208 330 D C 0.177 176.536 176.300 0.099 0.000 0.997 330 D CA 0.557 54.600 54.000 0.072 0.000 0.880 330 D CB 0.888 41.715 40.800 0.045 0.000 0.980 330 D HN 0.512 nan 8.370 nan 0.000 0.509 331 A N 0.188 123.072 122.820 0.108 0.000 2.475 331 A HA 0.631 4.951 4.320 -0.000 0.000 0.301 331 A C -0.597 177.108 177.584 0.201 0.000 1.059 331 A CA -0.586 51.551 52.037 0.167 0.000 0.710 331 A CB 1.606 20.745 19.000 0.232 0.000 1.288 331 A HN -0.014 nan 8.150 nan 0.000 0.408 332 T N -0.932 113.784 114.554 0.269 0.000 2.841 332 T HA 0.654 5.004 4.350 -0.000 0.000 0.285 332 T C -0.641 174.263 174.700 0.340 0.000 0.991 332 T CA -0.475 61.848 62.100 0.371 0.000 0.966 332 T CB 1.274 70.394 68.868 0.419 0.000 0.962 332 T HN 0.486 nan 8.240 nan 0.000 0.438 333 T N 3.191 117.969 114.554 0.374 0.000 3.149 333 T HA 0.391 4.740 4.350 -0.000 0.000 0.373 333 T C 0.138 175.033 174.700 0.326 0.000 1.364 333 T CA -0.513 61.781 62.100 0.324 0.000 1.110 333 T CB 0.277 69.354 68.868 0.350 0.000 1.127 333 T HN 0.645 nan 8.240 nan 0.000 0.576 334 V N 5.276 125.349 119.914 0.265 0.000 2.427 334 V HA 0.274 4.394 4.120 -0.000 0.000 0.268 334 V C 0.419 176.615 176.094 0.171 0.000 1.046 334 V CA -0.566 61.874 62.300 0.233 0.000 0.970 334 V CB 0.327 32.223 31.823 0.121 0.000 1.001 334 V HN 0.719 nan 8.190 nan 0.000 0.476 335 L N 4.187 125.517 121.223 0.179 0.000 2.350 335 L HA 0.502 4.842 4.340 -0.000 0.000 0.275 335 L C 0.467 177.390 176.870 0.088 0.000 1.099 335 L CA 0.178 55.099 54.840 0.135 0.000 0.808 335 L CB 1.550 43.702 42.059 0.156 0.000 1.149 335 L HN 0.647 nan 8.230 nan 0.000 0.442 336 S N 1.820 117.553 115.700 0.056 0.000 2.552 336 S HA 0.330 4.800 4.470 -0.000 0.000 0.314 336 S C 0.751 175.355 174.600 0.008 0.000 1.099 336 S CA -0.713 57.501 58.200 0.023 0.000 1.070 336 S CB 1.496 64.701 63.200 0.007 0.000 0.998 336 S HN 0.704 nan 8.310 nan 0.000 0.474 337 R N 3.500 124.005 120.500 0.009 0.000 2.080 337 R HA -0.106 4.234 4.340 -0.000 0.000 0.236 337 R C 2.323 178.616 176.300 -0.013 0.000 1.137 337 R CA 2.010 58.115 56.100 0.007 0.000 0.943 337 R CB -0.708 29.598 30.300 0.009 0.000 0.846 337 R HN 0.813 nan 8.270 nan 0.000 0.431 338 A N 0.907 123.717 122.820 -0.017 0.000 1.948 338 A HA -0.193 4.127 4.320 -0.000 0.000 0.220 338 A C 2.136 179.696 177.584 -0.040 0.000 1.177 338 A CA 1.619 53.640 52.037 -0.026 0.000 0.636 338 A CB -0.622 18.361 19.000 -0.027 0.000 0.815 338 A HN 0.386 nan 8.150 nan 0.000 0.449 339 I N -0.654 119.886 120.570 -0.049 0.000 2.315 339 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 339 I C 2.953 178.978 176.117 -0.154 0.000 1.117 339 I CA 1.002 62.259 61.300 -0.073 0.000 1.404 339 I CB -0.470 37.497 38.000 -0.055 0.000 1.071 339 I HN 0.381 nan 8.210 nan 0.000 0.419 340 A N 0.629 123.336 122.820 -0.188 0.000 1.902 340 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 340 A C 2.166 179.647 177.584 -0.172 0.000 1.181 340 A CA 1.509 53.340 52.037 -0.344 0.000 0.623 340 A CB -0.548 18.358 19.000 -0.157 0.000 0.818 340 A HN 0.420 nan 8.150 nan 0.000 0.443 341 E N -0.185 119.978 120.200 -0.062 0.000 2.204 341 E HA -0.090 4.260 4.350 -0.000 0.000 0.195 341 E C 1.446 178.036 176.600 -0.016 0.000 0.990 341 E CA 0.699 57.092 56.400 -0.011 0.000 0.821 341 E CB -0.244 29.455 29.700 -0.001 0.000 0.750 341 E HN 0.637 nan 8.360 nan 0.000 0.477 342 L N -0.376 120.823 121.223 -0.041 0.000 2.610 342 L HA 0.067 4.407 4.340 -0.000 0.000 0.232 342 L C 1.382 178.240 176.870 -0.019 0.000 1.149 342 L CA 0.425 55.245 54.840 -0.033 0.000 0.872 342 L CB -0.258 41.784 42.059 -0.029 0.000 0.992 342 L HN 0.268 nan 8.230 nan 0.000 0.447 343 G N 0.536 109.325 108.800 -0.019 0.000 2.143 343 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.248 343 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.248 343 G C 0.227 175.199 174.900 0.120 0.000 0.991 343 G CA -0.348 44.812 45.100 0.100 0.000 0.689 343 G HN 0.210 nan 8.290 nan 0.000 0.522 344 I N 0.470 120.965 120.570 -0.125 0.000 2.342 344 I HA 0.496 4.666 4.170 -0.000 0.000 0.291 344 I C -0.065 175.812 176.117 -0.400 0.000 1.010 344 I CA -0.360 60.891 61.300 -0.082 0.000 1.308 344 I CB 0.653 38.641 38.000 -0.020 0.000 1.400 344 I HN 0.097 nan 8.210 nan 0.000 0.488 345 Y N 6.619 126.908 120.300 -0.019 0.000 2.457 345 Y HA 0.347 4.897 4.550 -0.000 0.000 0.343 345 Y C -2.232 173.511 175.900 -0.262 0.000 0.994 345 Y CA -2.206 55.825 58.100 -0.115 0.000 1.031 345 Y CB 2.525 40.901 38.460 -0.139 0.000 1.246 345 Y HN 0.409 nan 8.280 nan 0.000 0.449 346 P HA 0.119 nan 4.420 nan 0.000 0.275 346 P C -0.264 177.097 177.300 0.102 0.000 1.227 346 P CA -0.229 62.948 63.100 0.129 0.000 0.781 346 P CB 1.331 33.197 31.700 0.277 0.000 0.906 347 A N 3.662 126.541 122.820 0.098 0.000 2.305 347 A HA 0.143 4.463 4.320 -0.000 0.000 0.236 347 A C 0.597 178.215 177.584 0.057 0.000 1.392 347 A CA -0.204 51.826 52.037 -0.011 0.000 1.205 347 A CB -1.390 17.569 19.000 -0.068 0.000 0.881 347 A HN 0.398 nan 8.150 nan 0.000 0.558 348 V N 1.171 121.139 119.914 0.089 0.000 2.529 348 V HA -0.015 4.105 4.120 -0.000 0.000 0.292 348 V C 0.619 176.749 176.094 0.060 0.000 1.028 348 V CA -0.345 62.014 62.300 0.099 0.000 1.074 348 V CB 0.566 32.455 31.823 0.111 0.000 0.958 348 V HN 0.554 nan 8.190 nan 0.000 0.481 349 D N 8.255 128.690 120.400 0.058 0.000 2.344 349 D HA 0.127 4.766 4.640 -0.000 0.000 0.253 349 D C -1.166 175.148 176.300 0.023 0.000 1.255 349 D CA -1.770 52.248 54.000 0.031 0.000 0.894 349 D CB 1.787 42.602 40.800 0.025 0.000 1.067 349 D HN 0.310 nan 8.370 nan 0.000 0.492 350 P HA -0.084 nan 4.420 nan 0.000 0.222 350 P C 1.233 178.521 177.300 -0.021 0.000 1.147 350 P CA 0.646 63.741 63.100 -0.010 0.000 0.790 350 P CB 0.420 32.109 31.700 -0.018 0.000 0.780 351 L N -1.107 120.104 121.223 -0.021 0.000 2.700 351 L HA 0.243 4.583 4.340 -0.000 0.000 0.234 351 L C 1.249 178.095 176.870 -0.040 0.000 1.156 351 L CA 0.346 55.166 54.840 -0.034 0.000 0.946 351 L CB -0.100 41.937 42.059 -0.037 0.000 1.216 351 L HN -0.143 nan 8.230 nan 0.000 0.493 352 D N -1.177 119.206 120.400 -0.027 0.000 2.525 352 D HA 0.106 4.746 4.640 -0.000 0.000 0.231 352 D C 0.028 176.322 176.300 -0.010 0.000 1.216 352 D CA 0.253 54.229 54.000 -0.041 0.000 0.813 352 D CB 0.878 41.655 40.800 -0.037 0.000 1.108 352 D HN -0.095 nan 8.370 nan 0.000 0.524 353 S N 0.072 115.785 115.700 0.022 0.000 2.437 353 S HA 0.601 5.071 4.470 -0.000 0.000 0.305 353 S C -0.006 174.630 174.600 0.060 0.000 1.109 353 S CA -0.577 57.667 58.200 0.074 0.000 1.099 353 S CB 1.699 64.960 63.200 0.102 0.000 1.004 353 S HN 0.252 nan 8.310 nan 0.000 0.475 354 T N -0.481 114.125 114.554 0.087 0.000 2.916 354 T HA 0.835 5.185 4.350 -0.000 0.000 0.292 354 T C -0.540 174.226 174.700 0.110 0.000 1.064 354 T CA -0.903 61.239 62.100 0.069 0.000 1.011 354 T CB 1.812 70.701 68.868 0.034 0.000 1.152 354 T HN 0.470 nan 8.240 nan 0.000 0.510 355 S N -0.233 115.520 115.700 0.088 0.000 2.536 355 S HA 0.412 4.882 4.470 -0.000 0.000 0.271 355 S C 0.428 175.072 174.600 0.074 0.000 1.134 355 S CA -0.931 57.331 58.200 0.103 0.000 0.897 355 S CB 1.809 65.080 63.200 0.119 0.000 1.094 355 S HN 0.780 nan 8.310 nan 0.000 0.473 356 R N 2.070 122.613 120.500 0.072 0.000 2.280 356 R HA 0.185 4.525 4.340 -0.000 0.000 0.207 356 R C 1.183 177.510 176.300 0.044 0.000 1.043 356 R CA 0.829 56.961 56.100 0.054 0.000 1.006 356 R CB -0.268 30.062 30.300 0.050 0.000 0.885 356 R HN 0.673 nan 8.270 nan 0.000 0.467 357 I N 0.273 120.872 120.570 0.048 0.000 3.578 357 I HA -0.036 4.134 4.170 -0.000 0.000 0.295 357 I C 0.660 176.787 176.117 0.016 0.000 1.280 357 I CA 0.185 61.505 61.300 0.033 0.000 1.347 357 I CB 0.286 38.313 38.000 0.044 0.000 1.051 357 I HN 0.031 nan 8.210 nan 0.000 0.460 358 M N 1.699 121.317 119.600 0.031 0.000 3.445 358 M HA 0.109 4.589 4.480 -0.000 0.000 0.224 358 M C -0.656 175.734 176.300 0.150 0.000 1.551 358 M CA 0.213 55.542 55.300 0.049 0.000 1.671 358 M CB -1.509 31.115 32.600 0.040 0.000 1.159 358 M HN 0.007 nan 8.290 nan 0.000 0.547 359 D N 3.630 124.073 120.400 0.072 0.000 2.879 359 D HA 0.380 5.020 4.640 -0.000 0.000 0.236 359 D C -2.354 173.850 176.300 -0.159 0.000 1.171 359 D CA -1.280 52.683 54.000 -0.060 0.000 0.868 359 D CB 2.878 43.645 40.800 -0.054 0.000 1.598 359 D HN 0.141 nan 8.370 nan 0.000 0.497 360 P HA -0.010 nan 4.420 nan 0.000 0.230 360 P C 0.479 177.687 177.300 -0.153 0.000 1.158 360 P CA 0.745 63.639 63.100 -0.343 0.000 0.769 360 P CB 0.454 31.799 31.700 -0.591 0.000 0.807 361 N N -0.736 117.882 118.700 -0.136 0.000 2.424 361 N HA 0.101 4.841 4.740 -0.000 0.000 0.178 361 N C 1.651 177.139 175.510 -0.037 0.000 1.060 361 N CA 0.188 53.194 53.050 -0.072 0.000 0.901 361 N CB -0.004 38.441 38.487 -0.069 0.000 0.979 361 N HN 0.156 nan 8.380 nan 0.000 0.451 362 I N -0.244 120.306 120.570 -0.034 0.000 2.947 362 I HA -0.065 4.105 4.170 -0.000 0.000 0.263 362 I C 1.851 177.976 176.117 0.013 0.000 1.130 362 I CA 0.378 61.673 61.300 -0.007 0.000 1.448 362 I CB 0.308 38.305 38.000 -0.006 0.000 1.222 362 I HN -0.026 nan 8.210 nan 0.000 0.453 363 V N -1.337 118.581 119.914 0.005 0.000 3.650 363 V HA 0.551 4.671 4.120 -0.000 0.000 0.271 363 V C 0.864 177.020 176.094 0.104 0.000 1.281 363 V CA 0.188 62.515 62.300 0.044 0.000 1.120 363 V CB -1.028 30.727 31.823 -0.112 0.000 0.856 363 V HN 0.452 nan 8.190 nan 0.000 0.443 364 G N 0.996 109.834 108.800 0.063 0.000 2.705 364 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.686 364 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.686 364 G C 0.397 175.364 174.900 0.112 0.000 1.285 364 G CA 0.199 45.345 45.100 0.077 0.000 0.800 364 G HN 1.241 nan 8.290 nan 0.000 0.611 365 S N -0.314 115.440 115.700 0.090 0.000 2.402 365 S HA -0.046 4.424 4.470 -0.000 0.000 0.229 365 S C 1.734 176.436 174.600 0.170 0.000 1.021 365 S CA 1.658 59.933 58.200 0.125 0.000 0.974 365 S CB -0.115 63.130 63.200 0.075 0.000 0.800 365 S HN 0.854 nan 8.310 nan 0.000 0.484 366 E N 1.069 121.354 120.200 0.142 0.000 2.058 366 E HA -0.287 4.063 4.350 -0.000 0.000 0.194 366 E C 2.045 178.761 176.600 0.194 0.000 0.997 366 E CA 1.477 57.961 56.400 0.139 0.000 0.801 366 E CB -0.289 29.474 29.700 0.105 0.000 0.746 366 E HN 0.848 nan 8.360 nan 0.000 0.450 367 H N -1.628 117.501 119.070 0.099 0.000 2.326 367 H HA -0.178 4.378 4.556 -0.000 0.000 0.301 367 H C 2.108 177.496 175.328 0.099 0.000 1.081 367 H CA 1.428 57.531 56.048 0.092 0.000 1.334 367 H CB -0.011 29.804 29.762 0.089 0.000 1.385 367 H HN 0.229 nan 8.280 nan 0.000 0.504 368 Y N 1.603 121.965 120.300 0.103 0.000 2.145 368 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 368 Y C 2.098 178.022 175.900 0.041 0.000 1.145 368 Y CA 1.921 60.028 58.100 0.013 0.000 1.148 368 Y CB -0.184 38.266 38.460 -0.016 0.000 0.981 368 Y HN 0.324 nan 8.280 nan 0.000 0.507 369 D N -0.828 119.672 120.400 0.166 0.000 2.144 369 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 369 D C 2.349 178.658 176.300 0.015 0.000 0.978 369 D CA 1.457 55.507 54.000 0.083 0.000 0.833 369 D CB -0.239 40.633 40.800 0.120 0.000 0.961 369 D HN 0.304 nan 8.370 nan 0.000 0.470 370 V N 1.576 121.522 119.914 0.054 0.000 2.323 370 V HA -0.187 3.933 4.120 -0.000 0.000 0.244 370 V C 2.571 178.660 176.094 -0.009 0.000 1.041 370 V CA 1.622 63.954 62.300 0.052 0.000 1.025 370 V CB -0.691 31.195 31.823 0.105 0.000 0.656 370 V HN 0.143 nan 8.190 nan 0.000 0.451 371 A N 0.067 122.874 122.820 -0.022 0.000 1.859 371 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 371 A C 2.301 179.782 177.584 -0.171 0.000 1.198 371 A CA 2.030 54.007 52.037 -0.101 0.000 0.629 371 A CB -0.592 18.353 19.000 -0.092 0.000 0.830 371 A HN 0.383 nan 8.150 nan 0.000 0.446 372 R N -0.443 119.897 120.500 -0.267 0.000 2.105 372 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 372 R C 2.317 178.541 176.300 -0.127 0.000 1.135 372 R CA 1.310 57.258 56.100 -0.255 0.000 0.967 372 R CB -1.784 28.297 30.300 -0.364 0.000 0.861 372 R HN 0.560 nan 8.270 nan 0.000 0.442 373 G N -0.421 108.329 108.800 -0.084 0.000 2.422 373 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 373 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 373 G C 1.533 176.415 174.900 -0.029 0.000 1.146 373 G CA 0.742 45.821 45.100 -0.035 0.000 0.769 373 G HN 0.216 nan 8.290 nan 0.000 0.547 374 V N 0.522 120.407 119.914 -0.048 0.000 2.358 374 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 374 V C 2.884 178.946 176.094 -0.053 0.000 1.047 374 V CA 2.039 64.307 62.300 -0.053 0.000 1.035 374 V CB -0.468 31.268 31.823 -0.146 0.000 0.658 374 V HN 0.437 nan 8.190 nan 0.000 0.452 375 Q N -0.295 119.459 119.800 -0.076 0.000 2.226 375 Q HA -0.238 4.102 4.340 -0.000 0.000 0.204 375 Q C 2.284 178.262 176.000 -0.036 0.000 0.975 375 Q CA 1.387 57.153 55.803 -0.061 0.000 0.866 375 Q CB -0.173 28.515 28.738 -0.083 0.000 0.915 375 Q HN 0.577 nan 8.270 nan 0.000 0.440 376 K N 1.134 121.514 120.400 -0.034 0.000 2.031 376 K HA -0.106 4.214 4.320 -0.000 0.000 0.205 376 K C 1.971 178.574 176.600 0.005 0.000 1.049 376 K CA 0.826 57.103 56.287 -0.016 0.000 0.939 376 K CB -0.064 32.425 32.500 -0.017 0.000 0.717 376 K HN 0.151 nan 8.250 nan 0.000 0.438 377 I N 1.031 121.606 120.570 0.010 0.000 2.493 377 I HA -0.221 3.949 4.170 -0.000 0.000 0.254 377 I C 1.764 177.921 176.117 0.067 0.000 1.160 377 I CA 0.808 62.125 61.300 0.027 0.000 1.445 377 I CB 0.186 38.193 38.000 0.013 0.000 1.086 377 I HN 0.217 nan 8.210 nan 0.000 0.433 378 L N -0.175 121.084 121.223 0.060 0.000 2.179 378 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 378 L C 2.465 179.380 176.870 0.074 0.000 1.096 378 L CA 0.720 55.620 54.840 0.100 0.000 0.779 378 L CB -0.441 41.652 42.059 0.056 0.000 0.922 378 L HN 0.273 nan 8.230 nan 0.000 0.443 379 Q N 0.303 120.121 119.800 0.030 0.000 2.083 379 Q HA -0.191 4.149 4.340 -0.000 0.000 0.198 379 Q C 1.744 177.757 176.000 0.021 0.000 0.969 379 Q CA 1.654 57.461 55.803 0.006 0.000 0.838 379 Q CB -0.043 28.689 28.738 -0.010 0.000 0.900 379 Q HN 0.341 nan 8.270 nan 0.000 0.436 380 D N -0.920 119.506 120.400 0.044 0.000 2.144 380 D HA -0.165 4.475 4.640 -0.000 0.000 0.199 380 D C 1.551 177.914 176.300 0.105 0.000 0.984 380 D CA 0.973 55.006 54.000 0.054 0.000 0.834 380 D CB -0.316 40.511 40.800 0.044 0.000 0.955 380 D HN 0.313 nan 8.370 nan 0.000 0.465 381 Y N 2.140 122.430 120.300 -0.018 0.000 2.207 381 Y HA -0.190 4.360 4.550 -0.000 0.000 0.287 381 Y C 2.177 178.067 175.900 -0.017 0.000 1.156 381 Y CA 1.354 59.444 58.100 -0.017 0.000 1.182 381 Y CB -0.282 38.168 38.460 -0.018 0.000 0.979 381 Y HN -0.165 nan 8.280 nan 0.000 0.521 382 K N -0.174 120.152 120.400 -0.123 0.000 2.103 382 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 382 K C 2.114 178.628 176.600 -0.144 0.000 1.048 382 K CA 1.770 57.925 56.287 -0.220 0.000 0.930 382 K CB -0.230 32.192 32.500 -0.129 0.000 0.716 382 K HN 0.474 nan 8.250 nan 0.000 0.444 383 S N 0.089 115.750 115.700 -0.066 0.000 2.527 383 S HA 0.011 4.481 4.470 -0.000 0.000 0.222 383 S C 1.690 176.273 174.600 -0.027 0.000 0.985 383 S CA 0.270 58.444 58.200 -0.043 0.000 0.921 383 S CB -0.060 63.127 63.200 -0.022 0.000 0.772 383 S HN 0.251 nan 8.310 nan 0.000 0.529 384 L N 0.582 121.799 121.223 -0.009 0.000 2.554 384 L HA 0.172 4.512 4.340 -0.000 0.000 0.226 384 L C 2.438 179.309 176.870 0.001 0.000 1.137 384 L CA 0.476 55.333 54.840 0.029 0.000 0.863 384 L CB -0.249 41.880 42.059 0.115 0.000 0.985 384 L HN 0.375 nan 8.230 nan 0.000 0.451 385 Q N -0.709 119.043 119.800 -0.081 0.000 2.432 385 Q HA -0.141 4.199 4.340 -0.000 0.000 0.205 385 Q C 1.086 177.048 176.000 -0.063 0.000 0.945 385 Q CA 0.635 56.373 55.803 -0.109 0.000 0.924 385 Q CB 0.291 28.878 28.738 -0.252 0.000 1.016 385 Q HN 0.416 nan 8.270 nan 0.000 0.503 386 D N 0.638 121.009 120.400 -0.048 0.000 2.120 386 D HA -0.087 4.553 4.640 -0.000 0.000 0.202 386 D C 1.572 177.862 176.300 -0.016 0.000 0.972 386 D CA 0.876 54.857 54.000 -0.032 0.000 0.837 386 D CB 0.187 40.970 40.800 -0.029 0.000 0.989 386 D HN 0.122 nan 8.370 nan 0.000 0.469 387 I N 0.286 120.851 120.570 -0.008 0.000 2.226 387 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 387 I C 2.241 178.362 176.117 0.007 0.000 1.100 387 I CA 0.781 62.082 61.300 0.001 0.000 1.374 387 I CB -0.313 37.691 38.000 0.007 0.000 1.057 387 I HN 0.085 nan 8.210 nan 0.000 0.413 388 I N 1.130 121.708 120.570 0.014 0.000 2.163 388 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 388 I C 2.834 178.957 176.117 0.011 0.000 1.085 388 I CA 1.447 62.761 61.300 0.023 0.000 1.347 388 I CB -0.554 37.475 38.000 0.049 0.000 1.044 388 I HN 0.208 nan 8.210 nan 0.000 0.408 389 A N 0.622 123.442 122.820 -0.001 0.000 2.042 389 A HA -0.209 4.111 4.320 -0.000 0.000 0.222 389 A C 2.183 179.766 177.584 -0.003 0.000 1.167 389 A CA 1.759 53.793 52.037 -0.006 0.000 0.649 389 A CB -0.526 18.464 19.000 -0.017 0.000 0.809 389 A HN 0.388 nan 8.150 nan 0.000 0.457 390 I N -1.617 118.952 120.570 -0.002 0.000 2.900 390 I HA 0.055 4.225 4.170 -0.000 0.000 0.251 390 I C 2.338 178.457 176.117 0.002 0.000 1.102 390 I CA 0.747 62.047 61.300 -0.001 0.000 1.457 390 I CB -1.207 36.792 38.000 -0.002 0.000 1.285 390 I HN 0.239 nan 8.210 nan 0.000 0.459 391 L N 0.100 121.326 121.223 0.004 0.000 2.202 391 L HA 0.272 4.612 4.340 -0.000 0.000 0.205 391 L C 1.021 177.895 176.870 0.008 0.000 1.083 391 L CA 0.663 55.506 54.840 0.005 0.000 0.790 391 L CB -0.351 41.711 42.059 0.005 0.000 0.942 391 L HN 0.476 nan 8.230 nan 0.000 0.452 392 G N -0.925 107.881 108.800 0.012 0.000 2.612 392 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.686 392 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.686 392 G C 0.034 174.944 174.900 0.018 0.000 1.274 392 G CA -0.140 44.969 45.100 0.015 0.000 0.849 392 G HN -0.041 nan 8.290 nan 0.000 0.595 393 M N -0.032 119.580 119.600 0.020 0.000 2.549 393 M HA -0.033 4.447 4.480 -0.000 0.000 0.260 393 M C 1.615 177.921 176.300 0.011 0.000 1.076 393 M CA 1.592 56.903 55.300 0.019 0.000 1.090 393 M CB -0.255 32.354 32.600 0.015 0.000 1.418 393 M HN 0.566 nan 8.290 nan 0.000 0.486 394 D N 0.452 120.857 120.400 0.009 0.000 2.312 394 D HA -0.083 4.557 4.640 -0.000 0.000 0.211 394 D C 0.935 177.238 176.300 0.006 0.000 0.964 394 D CA 0.913 54.916 54.000 0.006 0.000 0.877 394 D CB 0.048 40.851 40.800 0.005 0.000 0.924 394 D HN 0.303 nan 8.370 nan 0.000 0.515 395 E N 0.295 120.499 120.200 0.008 0.000 2.411 395 E HA 0.183 4.533 4.350 -0.000 0.000 0.204 395 E C 0.060 176.665 176.600 0.008 0.000 1.059 395 E CA -0.140 56.264 56.400 0.007 0.000 1.112 395 E CB 0.435 30.139 29.700 0.007 0.000 1.168 395 E HN 0.294 nan 8.360 nan 0.000 0.445 396 L N 0.542 121.770 121.223 0.008 0.000 2.322 396 L HA 0.300 4.640 4.340 -0.000 0.000 0.269 396 L C 0.831 177.704 176.870 0.005 0.000 1.012 396 L CA -0.733 54.112 54.840 0.009 0.000 0.815 396 L CB 1.691 43.757 42.059 0.012 0.000 1.295 396 L HN 0.020 nan 8.230 nan 0.000 0.438 397 S N -0.428 115.275 115.700 0.005 0.000 2.608 397 S HA 0.041 4.511 4.470 -0.000 0.000 0.261 397 S C 0.665 175.265 174.600 -0.000 0.000 1.314 397 S CA -0.323 57.879 58.200 0.002 0.000 0.992 397 S CB 1.269 64.471 63.200 0.003 0.000 0.935 397 S HN 0.665 nan 8.310 nan 0.000 0.564 398 E N 0.056 120.255 120.200 -0.001 0.000 2.347 398 E HA -0.062 4.288 4.350 -0.000 0.000 0.196 398 E C 1.748 178.344 176.600 -0.006 0.000 1.008 398 E CA 1.147 57.545 56.400 -0.004 0.000 0.852 398 E CB -0.098 29.600 29.700 -0.003 0.000 0.783 398 E HN 0.774 nan 8.360 nan 0.000 0.505 399 E N -0.161 120.037 120.200 -0.004 0.000 2.042 399 E HA -0.130 4.220 4.350 -0.000 0.000 0.189 399 E C 1.063 177.659 176.600 -0.007 0.000 0.974 399 E CA 0.980 57.377 56.400 -0.005 0.000 0.806 399 E CB 0.090 29.789 29.700 -0.002 0.000 0.769 399 E HN 0.231 nan 8.360 nan 0.000 0.451 400 D N 0.795 121.194 120.400 -0.002 0.000 2.144 400 D HA -0.110 4.530 4.640 -0.000 0.000 0.200 400 D C 1.807 178.101 176.300 -0.010 0.000 0.978 400 D CA 0.774 54.775 54.000 0.002 0.000 0.833 400 D CB -0.075 40.733 40.800 0.014 0.000 0.961 400 D HN 0.084 nan 8.370 nan 0.000 0.470 401 K N 0.098 120.491 120.400 -0.012 0.000 2.113 401 K HA -0.171 4.149 4.320 -0.000 0.000 0.208 401 K C 1.951 178.523 176.600 -0.046 0.000 1.047 401 K CA 0.532 56.804 56.287 -0.025 0.000 0.928 401 K CB -0.130 32.360 32.500 -0.017 0.000 0.716 401 K HN 0.065 nan 8.250 nan 0.000 0.446 402 L N 1.042 122.242 121.223 -0.039 0.000 2.044 402 L HA -0.149 4.191 4.340 -0.000 0.000 0.205 402 L C 2.538 179.365 176.870 -0.071 0.000 1.075 402 L CA 2.252 57.063 54.840 -0.049 0.000 0.747 402 L CB -1.197 40.843 42.059 -0.032 0.000 0.903 402 L HN 0.317 nan 8.230 nan 0.000 0.435 403 T N -3.855 110.663 114.554 -0.059 0.000 2.788 403 T HA -0.161 4.189 4.350 -0.000 0.000 0.268 403 T C 1.912 176.525 174.700 -0.146 0.000 1.044 403 T CA 1.627 63.685 62.100 -0.069 0.000 1.139 403 T CB -1.069 67.784 68.868 -0.025 0.000 0.867 403 T HN 0.113 nan 8.240 nan 0.000 0.454 404 V N 2.557 122.367 119.914 -0.174 0.000 2.295 404 V HA -0.175 3.945 4.120 -0.000 0.000 0.246 404 V C 3.236 179.097 176.094 -0.389 0.000 1.049 404 V CA 2.191 64.271 62.300 -0.367 0.000 1.024 404 V CB -1.142 30.556 31.823 -0.209 0.000 0.648 404 V HN 0.808 nan 8.190 nan 0.000 0.447 405 S N 0.239 115.803 115.700 -0.226 0.000 2.382 405 S HA -0.249 4.221 4.470 -0.000 0.000 0.228 405 S C 2.125 176.591 174.600 -0.224 0.000 1.027 405 S CA 1.558 59.642 58.200 -0.194 0.000 0.991 405 S CB -0.451 62.675 63.200 -0.122 0.000 0.823 405 S HN 0.559 nan 8.310 nan 0.000 0.469 406 R N 0.862 121.242 120.500 -0.200 0.000 2.073 406 R HA 0.136 4.476 4.340 -0.000 0.000 0.229 406 R C 2.802 178.986 176.300 -0.193 0.000 1.120 406 R CA 1.178 57.165 56.100 -0.188 0.000 0.967 406 R CB -0.766 29.462 30.300 -0.119 0.000 0.862 406 R HN 0.595 nan 8.270 nan 0.000 0.436 407 A N 1.038 123.724 122.820 -0.224 0.000 1.969 407 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 407 A C 2.060 179.520 177.584 -0.208 0.000 1.169 407 A CA 1.093 53.012 52.037 -0.197 0.000 0.635 407 A CB -0.268 18.575 19.000 -0.261 0.000 0.810 407 A HN 0.206 nan 8.150 nan 0.000 0.445 408 R N -0.581 119.719 120.500 -0.333 0.000 2.115 408 R HA -0.013 4.327 4.340 -0.000 0.000 0.226 408 R C 2.075 178.287 176.300 -0.147 0.000 1.100 408 R CA 1.350 57.326 56.100 -0.206 0.000 0.980 408 R CB -0.153 30.008 30.300 -0.231 0.000 0.875 408 R HN 0.461 nan 8.270 nan 0.000 0.445 409 K N 0.313 120.553 120.400 -0.267 0.000 2.097 409 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 409 K C 1.896 178.315 176.600 -0.302 0.000 1.050 409 K CA 1.038 57.023 56.287 -0.503 0.000 0.938 409 K CB 0.038 31.992 32.500 -0.910 0.000 0.718 409 K HN 0.095 nan 8.250 nan 0.000 0.442 410 I N 1.017 121.534 120.570 -0.088 0.000 2.353 410 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 410 I C 2.443 178.735 176.117 0.292 0.000 1.119 410 I CA 1.101 62.533 61.300 0.221 0.000 1.417 410 I CB -0.015 38.117 38.000 0.219 0.000 1.078 410 I HN 0.207 nan 8.210 nan 0.000 0.421 411 Q N 0.288 120.180 119.800 0.154 0.000 2.077 411 Q HA -0.256 4.084 4.340 -0.000 0.000 0.206 411 Q C 2.346 178.461 176.000 0.191 0.000 0.989 411 Q CA 1.760 57.657 55.803 0.157 0.000 0.853 411 Q CB -0.055 28.762 28.738 0.132 0.000 0.907 411 Q HN 0.457 nan 8.270 nan 0.000 0.418 412 R N -0.945 119.677 120.500 0.204 0.000 2.119 412 R HA -0.057 4.283 4.340 -0.000 0.000 0.222 412 R C 1.828 178.331 176.300 0.337 0.000 1.088 412 R CA 0.692 56.959 56.100 0.278 0.000 0.984 412 R CB -0.123 30.352 30.300 0.290 0.000 0.884 412 R HN 0.153 nan 8.270 nan 0.000 0.447 413 F N 0.861 120.928 119.950 0.194 0.000 2.604 413 F HA 0.068 4.595 4.527 -0.000 0.000 0.298 413 F C 1.165 177.137 175.800 0.286 0.000 1.131 413 F CA 0.715 58.810 58.000 0.158 0.000 1.457 413 F CB 0.170 39.160 39.000 -0.017 0.000 1.095 413 F HN -0.085 nan 8.300 nan 0.000 0.574 414 L N 0.040 121.472 121.223 0.348 0.000 2.645 414 L HA 0.084 4.424 4.340 -0.000 0.000 0.235 414 L C 0.661 177.578 176.870 0.078 0.000 1.150 414 L CA 0.043 55.025 54.840 0.237 0.000 0.911 414 L CB -0.817 41.348 42.059 0.177 0.000 1.077 414 L HN 0.142 nan 8.230 nan 0.000 0.438 415 S N -0.108 115.610 115.700 0.029 0.000 2.532 415 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 415 S C -0.682 173.841 174.600 -0.128 0.000 1.083 415 S CA -0.664 57.514 58.200 -0.037 0.000 1.025 415 S CB 2.250 65.449 63.200 -0.002 0.000 1.056 415 S HN 0.280 nan 8.310 nan 0.000 0.494 416 Q N 0.641 120.339 119.800 -0.170 0.000 2.391 416 Q HA 0.604 4.944 4.340 -0.000 0.000 0.279 416 Q C -3.230 172.612 176.000 -0.263 0.000 1.028 416 Q CA -2.197 53.501 55.803 -0.175 0.000 0.836 416 Q CB 1.891 30.577 28.738 -0.086 0.000 1.414 416 Q HN 0.448 nan 8.270 nan 0.000 0.397 417 P HA 0.146 nan 4.420 nan 0.000 0.275 417 P C -1.071 176.237 177.300 0.015 0.000 1.228 417 P CA 0.117 63.111 63.100 -0.176 0.000 0.786 417 P CB 0.560 32.197 31.700 -0.104 0.000 0.927 418 F N 0.487 120.392 119.950 -0.075 0.000 2.440 418 F HA 0.186 4.713 4.527 -0.000 0.000 0.328 418 F C 2.192 177.934 175.800 -0.097 0.000 1.070 418 F CA -0.757 57.203 58.000 -0.067 0.000 1.011 418 F CB 1.776 40.747 39.000 -0.048 0.000 1.226 418 F HN 0.305 nan 8.300 nan 0.000 0.491 419 Q N 1.029 120.899 119.800 0.116 0.000 2.079 419 Q HA -0.099 4.241 4.340 -0.000 0.000 0.200 419 Q C 1.120 177.108 176.000 -0.019 0.000 0.974 419 Q CA 1.679 57.490 55.803 0.013 0.000 0.840 419 Q CB -0.318 28.412 28.738 -0.013 0.000 0.898 419 Q HN 0.530 nan 8.270 nan 0.000 0.430 420 V N 0.757 120.671 119.914 0.000 0.000 3.510 420 V HA 0.074 4.194 4.120 -0.000 0.000 0.270 420 V C 1.634 177.694 176.094 -0.057 0.000 1.201 420 V CA 1.052 63.347 62.300 -0.009 0.000 1.166 420 V CB -0.693 31.135 31.823 0.009 0.000 0.825 420 V HN 0.502 nan 8.190 nan 0.000 0.484 421 A N -0.631 122.097 122.820 -0.152 0.000 2.229 421 A HA 0.140 4.460 4.320 -0.000 0.000 0.211 421 A C 1.965 179.110 177.584 -0.731 0.000 1.193 421 A CA 0.134 51.809 52.037 -0.603 0.000 0.879 421 A CB -0.037 18.725 19.000 -0.397 0.000 0.911 421 A HN 0.454 nan 8.150 nan 0.000 0.492 422 E N 0.294 120.294 120.200 -0.333 0.000 2.171 422 E HA -0.181 4.169 4.350 -0.000 0.000 0.197 422 E C 1.811 178.267 176.600 -0.240 0.000 0.997 422 E CA 1.563 57.822 56.400 -0.235 0.000 0.810 422 E CB -0.317 29.311 29.700 -0.120 0.000 0.738 422 E HN 0.473 nan 8.360 nan 0.000 0.467 423 V N 0.713 120.489 119.914 -0.231 0.000 2.380 423 V HA -0.277 3.843 4.120 -0.000 0.000 0.251 423 V C 1.985 178.071 176.094 -0.013 0.000 1.063 423 V CA 2.192 64.439 62.300 -0.088 0.000 1.055 423 V CB -0.792 31.041 31.823 0.016 0.000 0.657 423 V HN 0.373 nan 8.190 nan 0.000 0.455 424 F N 0.240 120.176 119.950 -0.023 0.000 2.711 424 F HA 0.224 4.751 4.527 -0.000 0.000 0.296 424 F C 2.281 178.059 175.800 -0.037 0.000 1.096 424 F CA 0.625 58.607 58.000 -0.030 0.000 1.280 424 F CB -1.272 37.712 39.000 -0.027 0.000 1.060 424 F HN 0.059 nan 8.300 nan 0.000 0.608 425 T N -2.643 111.769 114.554 -0.236 0.000 2.857 425 T HA 0.288 4.638 4.350 -0.000 0.000 0.266 425 T C 2.056 176.650 174.700 -0.177 0.000 1.048 425 T CA 1.165 63.218 62.100 -0.078 0.000 1.139 425 T CB -0.837 67.978 68.868 -0.089 0.000 0.874 425 T HN 0.932 nan 8.240 nan 0.000 0.455 426 G N 0.990 109.661 108.800 -0.215 0.000 2.205 426 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 426 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 426 G C -0.060 174.638 174.900 -0.337 0.000 0.980 426 G CA 0.329 45.265 45.100 -0.273 0.000 0.632 426 G HN 0.827 nan 8.290 nan 0.000 0.533 427 H N -0.602 118.422 119.070 -0.078 0.000 2.467 427 H HA 0.581 5.137 4.556 -0.000 0.000 0.326 427 H C 0.462 175.742 175.328 -0.079 0.000 1.094 427 H CA -0.914 55.091 56.048 -0.071 0.000 1.253 427 H CB 1.697 31.413 29.762 -0.076 0.000 1.439 427 H HN 0.261 nan 8.280 nan 0.000 0.479 428 L N 2.651 123.910 121.223 0.059 0.000 2.559 428 L HA 0.076 4.416 4.340 -0.000 0.000 0.282 428 L C 0.934 177.811 176.870 0.012 0.000 1.232 428 L CA 0.603 55.452 54.840 0.014 0.000 0.885 428 L CB 0.245 42.311 42.059 0.011 0.000 1.131 428 L HN 0.841 nan 8.230 nan 0.000 0.498 429 G N 4.200 113.004 108.800 0.005 0.000 2.569 429 G HA2 0.323 4.283 3.960 -0.000 0.000 0.249 429 G HA3 0.323 4.283 3.960 -0.000 0.000 0.249 429 G C -0.715 174.203 174.900 0.030 0.000 1.216 429 G CA -0.606 44.511 45.100 0.029 0.000 0.845 429 G HN 0.534 nan 8.290 nan 0.000 0.568 430 K N 0.041 120.472 120.400 0.051 0.000 2.375 430 K HA 0.501 4.821 4.320 -0.000 0.000 0.249 430 K C -1.530 175.098 176.600 0.047 0.000 0.942 430 K CA -0.919 55.387 56.287 0.032 0.000 0.806 430 K CB 2.643 35.146 32.500 0.004 0.000 1.227 430 K HN 0.281 nan 8.250 nan 0.000 0.430 431 L N 2.258 123.495 121.223 0.024 0.000 2.406 431 L HA 0.326 4.666 4.340 -0.000 0.000 0.270 431 L C -1.370 175.507 176.870 0.013 0.000 0.982 431 L CA -0.667 54.185 54.840 0.020 0.000 0.843 431 L CB 1.771 43.837 42.059 0.011 0.000 1.225 431 L HN 0.284 nan 8.230 nan 0.000 0.412 432 V N 6.695 126.615 119.914 0.010 0.000 2.350 432 V HA 0.460 4.580 4.120 -0.000 0.000 0.276 432 V C -2.013 174.088 176.094 0.012 0.000 1.028 432 V CA -1.661 60.645 62.300 0.009 0.000 0.860 432 V CB 1.074 32.894 31.823 -0.005 0.000 0.990 432 V HN 0.642 nan 8.190 nan 0.000 0.453 433 P HA 0.052 nan 4.420 nan 0.000 0.268 433 P C 0.782 178.089 177.300 0.011 0.000 1.205 433 P CA -0.299 62.810 63.100 0.015 0.000 0.771 433 P CB 0.724 32.434 31.700 0.018 0.000 0.858 434 L N 5.074 126.297 121.223 -0.000 0.000 2.021 434 L HA -0.264 4.076 4.340 -0.000 0.000 0.215 434 L C 1.949 178.796 176.870 -0.037 0.000 1.074 434 L CA 2.177 56.998 54.840 -0.031 0.000 0.760 434 L CB -1.227 40.811 42.059 -0.036 0.000 0.889 434 L HN 0.350 nan 8.230 nan 0.000 0.433 435 K N -1.125 119.269 120.400 -0.010 0.000 2.209 435 K HA -0.137 4.183 4.320 -0.000 0.000 0.204 435 K C 1.674 178.293 176.600 0.033 0.000 1.048 435 K CA 1.701 57.991 56.287 0.006 0.000 0.940 435 K CB -0.521 31.990 32.500 0.018 0.000 0.729 435 K HN 0.483 nan 8.250 nan 0.000 0.451 436 E N 0.745 120.971 120.200 0.043 0.000 2.170 436 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 436 E C 1.825 178.497 176.600 0.120 0.000 0.981 436 E CA 1.223 57.666 56.400 0.072 0.000 0.830 436 E CB -0.100 29.637 29.700 0.061 0.000 0.775 436 E HN 0.383 nan 8.360 nan 0.000 0.470 437 T N 2.010 116.631 114.554 0.113 0.000 2.708 437 T HA -0.096 4.254 4.350 -0.000 0.000 0.266 437 T C 2.130 177.012 174.700 0.304 0.000 1.037 437 T CA 0.879 63.107 62.100 0.213 0.000 1.146 437 T CB -0.172 68.780 68.868 0.140 0.000 0.865 437 T HN 0.073 nan 8.240 nan 0.000 0.435 438 I N 0.846 121.498 120.570 0.137 0.000 2.142 438 I HA -0.179 3.991 4.170 -0.000 0.000 0.240 438 I C 2.626 178.843 176.117 0.167 0.000 1.078 438 I CA 1.365 62.741 61.300 0.126 0.000 1.343 438 I CB -0.328 37.677 38.000 0.009 0.000 1.046 438 I HN 0.151 nan 8.210 nan 0.000 0.405 439 K N 1.036 121.509 120.400 0.123 0.000 2.074 439 K HA -0.190 4.130 4.320 -0.000 0.000 0.209 439 K C 2.124 178.798 176.600 0.123 0.000 1.048 439 K CA 1.751 58.102 56.287 0.107 0.000 0.926 439 K CB -0.436 32.112 32.500 0.081 0.000 0.713 439 K HN 0.423 nan 8.250 nan 0.000 0.444 440 G N 0.122 109.012 108.800 0.150 0.000 2.421 440 G HA2 -0.226 3.733 3.960 -0.000 0.000 0.216 440 G HA3 -0.226 3.733 3.960 -0.000 0.000 0.216 440 G C 1.269 176.156 174.900 -0.022 0.000 1.171 440 G CA 0.739 45.878 45.100 0.065 0.000 0.775 440 G HN 0.297 nan 8.290 nan 0.000 0.543 441 F N 0.368 120.454 119.950 0.227 0.000 2.293 441 F HA 0.089 4.616 4.527 -0.000 0.000 0.297 441 F C 2.873 178.727 175.800 0.090 0.000 1.089 441 F CA 1.116 59.219 58.000 0.171 0.000 1.377 441 F CB -0.064 39.046 39.000 0.184 0.000 1.051 441 F HN 0.139 nan 8.300 nan 0.000 0.511 442 Q N 0.382 120.327 119.800 0.242 0.000 2.112 442 Q HA -0.292 4.048 4.340 -0.000 0.000 0.206 442 Q C 2.094 178.143 176.000 0.082 0.000 0.987 442 Q CA 1.989 57.874 55.803 0.137 0.000 0.858 442 Q CB -0.086 28.715 28.738 0.105 0.000 0.905 442 Q HN 0.488 nan 8.270 nan 0.000 0.420 443 Q N -0.279 119.563 119.800 0.070 0.000 2.083 443 Q HA -0.096 4.244 4.340 -0.000 0.000 0.198 443 Q C 2.105 178.101 176.000 -0.008 0.000 0.969 443 Q CA 1.324 57.126 55.803 -0.002 0.000 0.838 443 Q CB 0.023 28.779 28.738 0.029 0.000 0.900 443 Q HN 0.460 nan 8.270 nan 0.000 0.436 444 I N 0.489 121.101 120.570 0.071 0.000 2.226 444 I HA -0.306 3.864 4.170 -0.000 0.000 0.245 444 I C 2.114 178.233 176.117 0.003 0.000 1.100 444 I CA 1.072 62.395 61.300 0.038 0.000 1.374 444 I CB -0.272 37.699 38.000 -0.048 0.000 1.057 444 I HN 0.201 nan 8.210 nan 0.000 0.413 445 L N 0.615 121.864 121.223 0.043 0.000 1.994 445 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 445 L C 2.901 179.771 176.870 -0.000 0.000 1.071 445 L CA 1.437 56.294 54.840 0.029 0.000 0.745 445 L CB -0.722 41.372 42.059 0.058 0.000 0.892 445 L HN 0.240 nan 8.230 nan 0.000 0.431 446 A N -0.510 122.307 122.820 -0.005 0.000 2.042 446 A HA -0.138 4.182 4.320 -0.000 0.000 0.222 446 A C 1.818 179.375 177.584 -0.044 0.000 1.167 446 A CA 1.808 53.830 52.037 -0.025 0.000 0.649 446 A CB -0.799 18.179 19.000 -0.036 0.000 0.809 446 A HN 0.688 nan 8.150 nan 0.000 0.457 447 G N -1.977 106.786 108.800 -0.061 0.000 2.168 447 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.197 447 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.197 447 G C 0.396 175.233 174.900 -0.105 0.000 0.997 447 G CA 0.576 45.637 45.100 -0.064 0.000 0.658 447 G HN 0.513 nan 8.290 nan 0.000 0.513 448 E N -0.847 119.228 120.200 -0.208 0.000 2.409 448 E HA 0.040 4.390 4.350 -0.000 0.000 0.198 448 E C 0.422 176.696 176.600 -0.544 0.000 1.024 448 E CA 0.719 56.883 56.400 -0.394 0.000 0.861 448 E CB -0.063 29.285 29.700 -0.586 0.000 0.788 448 E HN 0.756 nan 8.360 nan 0.000 0.521 449 Y N -0.687 119.558 120.300 -0.092 0.000 2.634 449 Y HA 0.145 4.695 4.550 -0.000 0.000 0.292 449 Y C 0.303 176.040 175.900 -0.272 0.000 0.996 449 Y CA -0.706 57.253 58.100 -0.234 0.000 1.165 449 Y CB 0.686 39.146 38.460 0.001 0.000 1.194 449 Y HN -0.080 nan 8.280 nan 0.000 0.585 450 D N -0.647 119.685 120.400 -0.112 0.000 2.277 450 D HA -0.130 4.510 4.640 -0.000 0.000 0.208 450 D C 2.062 178.352 176.300 -0.017 0.000 0.962 450 D CA 1.139 55.111 54.000 -0.046 0.000 0.865 450 D CB 0.017 40.817 40.800 -0.000 0.000 0.939 450 D HN 0.604 nan 8.370 nan 0.000 0.510 451 H N -0.240 118.877 119.070 0.079 0.000 2.436 451 H HA 0.078 4.634 4.556 -0.000 0.000 0.294 451 H C 0.945 176.325 175.328 0.086 0.000 1.048 451 H CA 0.111 56.198 56.048 0.065 0.000 1.353 451 H CB -0.462 29.331 29.762 0.052 0.000 1.414 451 H HN 0.094 nan 8.280 nan 0.000 0.536 452 L N 3.048 124.174 121.223 -0.162 0.000 2.483 452 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 452 L C -1.910 175.025 176.870 0.108 0.000 1.220 452 L CA -1.757 53.092 54.840 0.016 0.000 0.833 452 L CB 0.178 42.226 42.059 -0.018 0.000 1.102 452 L HN 0.148 nan 8.230 nan 0.000 0.490 453 P HA 0.189 nan 4.420 nan 0.000 0.282 453 P C -0.132 177.287 177.300 0.199 0.000 1.259 453 P CA -0.585 62.579 63.100 0.106 0.000 0.826 453 P CB 0.935 32.672 31.700 0.062 0.000 1.064 454 E N 0.563 120.836 120.200 0.120 0.000 2.049 454 E HA -0.252 4.098 4.350 -0.000 0.000 0.198 454 E C 1.830 178.567 176.600 0.227 0.000 1.007 454 E CA 1.326 57.804 56.400 0.131 0.000 0.809 454 E CB -0.249 29.461 29.700 0.016 0.000 0.749 454 E HN 0.557 nan 8.360 nan 0.000 0.450 455 Q N 0.507 120.379 119.800 0.119 0.000 2.443 455 Q HA -0.093 4.247 4.340 -0.000 0.000 0.213 455 Q C 1.766 177.849 176.000 0.140 0.000 0.982 455 Q CA 1.349 57.214 55.803 0.103 0.000 0.894 455 Q CB -0.177 28.581 28.738 0.033 0.000 0.947 455 Q HN 0.218 nan 8.270 nan 0.000 0.480 456 A N 0.011 122.896 122.820 0.108 0.000 2.167 456 A HA 0.096 4.416 4.320 -0.000 0.000 0.214 456 A C 1.091 178.548 177.584 -0.211 0.000 1.151 456 A CA 0.234 52.218 52.037 -0.088 0.000 0.735 456 A CB -0.340 18.518 19.000 -0.235 0.000 0.802 456 A HN 0.301 nan 8.150 nan 0.000 0.467 457 F N -2.576 117.391 119.950 0.028 0.000 2.749 457 F HA 0.234 4.761 4.527 -0.000 0.000 0.300 457 F C 0.527 176.445 175.800 0.196 0.000 1.103 457 F CA -0.560 57.493 58.000 0.087 0.000 1.342 457 F CB -0.074 38.955 39.000 0.049 0.000 1.098 457 F HN 0.273 nan 8.300 nan 0.000 0.586 458 Y N 1.882 122.278 120.300 0.160 0.000 2.393 458 Y HA 0.323 4.873 4.550 -0.000 0.000 0.338 458 Y C 0.625 176.536 175.900 0.017 0.000 1.029 458 Y CA -1.460 56.693 58.100 0.088 0.000 1.239 458 Y CB 0.192 38.687 38.460 0.058 0.000 1.170 458 Y HN 0.082 nan 8.280 nan 0.000 0.515 459 M N 5.578 124.947 119.600 -0.385 0.000 2.298 459 M HA -0.163 4.317 4.480 -0.000 0.000 0.196 459 M C -1.115 175.043 176.300 -0.236 0.000 0.531 459 M CA 0.996 56.038 55.300 -0.430 0.000 0.459 459 M CB -2.692 29.495 32.600 -0.689 0.000 1.279 459 M HN 0.430 nan 8.290 nan 0.000 0.915 460 V N -3.200 116.638 119.914 -0.127 0.000 3.126 460 V HA 1.085 5.205 4.120 -0.000 0.000 0.314 460 V C 0.831 176.873 176.094 -0.087 0.000 1.138 460 V CA -0.085 62.168 62.300 -0.079 0.000 1.034 460 V CB 1.682 33.494 31.823 -0.019 0.000 1.075 460 V HN 0.413 nan 8.190 nan 0.000 0.442 461 G N 0.495 109.264 108.800 -0.051 0.000 3.142 461 G HA2 0.418 4.378 3.960 -0.000 0.000 0.178 461 G HA3 0.418 4.378 3.960 -0.000 0.000 0.178 461 G C -2.128 172.765 174.900 -0.011 0.000 1.941 461 G CA -0.232 44.836 45.100 -0.053 0.000 0.902 461 G HN 0.789 nan 8.290 nan 0.000 0.517 462 P HA 0.096 nan 4.420 nan 0.000 0.271 462 P C 0.679 178.100 177.300 0.202 0.000 1.244 462 P CA -0.434 62.742 63.100 0.128 0.000 0.793 462 P CB 1.190 32.926 31.700 0.061 0.000 0.984 463 I N 0.640 121.319 120.570 0.182 0.000 2.361 463 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 463 I C 1.946 177.930 176.117 -0.222 0.000 1.133 463 I CA 1.656 62.872 61.300 -0.139 0.000 1.413 463 I CB -0.711 37.150 38.000 -0.231 0.000 1.073 463 I HN 0.235 nan 8.210 nan 0.000 0.424 464 E N 0.678 120.824 120.200 -0.090 0.000 2.097 464 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 464 E C 2.115 178.639 176.600 -0.126 0.000 1.000 464 E CA 1.644 57.990 56.400 -0.089 0.000 0.804 464 E CB -0.256 29.425 29.700 -0.031 0.000 0.740 464 E HN 0.564 nan 8.360 nan 0.000 0.454 465 E N -0.402 119.738 120.200 -0.099 0.000 2.204 465 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 465 E C 1.926 178.419 176.600 -0.178 0.000 0.989 465 E CA 0.757 57.096 56.400 -0.102 0.000 0.824 465 E CB -0.073 29.594 29.700 -0.056 0.000 0.756 465 E HN 0.279 nan 8.360 nan 0.000 0.477 466 A N 0.857 123.503 122.820 -0.290 0.000 1.897 466 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 466 A C 2.473 179.745 177.584 -0.519 0.000 1.181 466 A CA 0.833 52.567 52.037 -0.506 0.000 0.620 466 A CB -0.471 17.978 19.000 -0.917 0.000 0.821 466 A HN 0.094 nan 8.150 nan 0.000 0.443 467 V N 0.086 119.718 119.914 -0.470 0.000 2.287 467 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 467 V C 3.012 178.996 176.094 -0.183 0.000 1.053 467 V CA 2.019 64.127 62.300 -0.321 0.000 1.027 467 V CB -1.334 30.366 31.823 -0.204 0.000 0.646 467 V HN 0.585 nan 8.190 nan 0.000 0.447 468 A N -0.896 121.834 122.820 -0.150 0.000 2.015 468 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 468 A C 2.332 179.859 177.584 -0.095 0.000 1.163 468 A CA 1.776 53.756 52.037 -0.095 0.000 0.646 468 A CB -0.441 18.515 19.000 -0.074 0.000 0.806 468 A HN 0.500 nan 8.150 nan 0.000 0.448 469 K N -0.558 119.761 120.400 -0.135 0.000 2.296 469 K HA 0.071 4.391 4.320 -0.000 0.000 0.200 469 K C 2.048 178.588 176.600 -0.099 0.000 1.048 469 K CA 0.773 56.991 56.287 -0.115 0.000 0.966 469 K CB -0.155 32.261 32.500 -0.141 0.000 0.754 469 K HN 0.430 nan 8.250 nan 0.000 0.466 470 A N 1.527 124.273 122.820 -0.123 0.000 1.929 470 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 470 A C 1.459 179.023 177.584 -0.034 0.000 1.176 470 A CA 1.455 53.446 52.037 -0.076 0.000 0.628 470 A CB -0.211 18.739 19.000 -0.083 0.000 0.816 470 A HN 0.264 nan 8.150 nan 0.000 0.444 471 D N 0.024 120.402 120.400 -0.036 0.000 2.097 471 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 471 D C 1.783 178.073 176.300 -0.016 0.000 0.989 471 D CA 1.613 55.602 54.000 -0.019 0.000 0.827 471 D CB -0.306 40.482 40.800 -0.020 0.000 0.966 471 D HN 0.427 nan 8.370 nan 0.000 0.456 472 K N 0.473 120.859 120.400 -0.023 0.000 2.211 472 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 472 K C 1.202 177.798 176.600 -0.008 0.000 1.047 472 K CA 0.343 56.621 56.287 -0.015 0.000 0.935 472 K CB -0.121 32.367 32.500 -0.020 0.000 0.728 472 K HN 0.084 nan 8.250 nan 0.000 0.452 473 L N 1.751 122.969 121.223 -0.009 0.000 2.803 473 L HA 0.136 4.476 4.340 -0.000 0.000 0.241 473 L C 0.226 177.099 176.870 0.004 0.000 1.404 473 L CA -0.224 54.616 54.840 -0.000 0.000 1.211 473 L CB -1.574 40.485 42.059 0.000 0.000 1.585 473 L HN 0.343 nan 8.230 nan 0.000 0.430 474 A N 0.000 122.822 122.820 0.003 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.040 52.037 0.005 0.000 0.836 474 A CB 0.000 19.004 19.000 0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486