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 2w6e_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 0.000 174.890 174.700 0.317 0.000 1.109 9 T CA 0.000 62.227 62.100 0.212 0.000 1.349 9 T CB 0.000 69.003 68.868 0.225 0.000 0.612 10 T N 0.626 115.293 114.554 0.188 0.000 2.791 10 T HA 0.790 5.140 4.350 0.000 0.000 0.288 10 T C 0.629 175.064 174.700 -0.442 0.000 0.999 10 T CA -0.473 61.605 62.100 -0.037 0.000 0.952 10 T CB 1.431 70.263 68.868 -0.060 0.000 0.938 10 T HN 1.175 nan 8.240 nan 0.000 0.444 11 G N 1.912 110.086 108.800 -1.043 0.000 2.705 11 G HA2 0.743 4.704 3.960 0.000 0.000 0.299 11 G HA3 0.743 4.704 3.960 0.000 0.000 0.299 11 G C -0.951 173.580 174.900 -0.615 0.000 1.315 11 G CA -1.226 42.980 45.100 -1.489 0.000 1.045 11 G HN 0.700 nan 8.290 nan 0.000 0.517 12 R N -0.933 119.310 120.500 -0.428 0.000 2.621 12 R HA 0.387 4.727 4.340 0.000 0.000 0.292 12 R C -0.361 175.848 176.300 -0.151 0.000 0.969 12 R CA -0.698 55.268 56.100 -0.224 0.000 0.887 12 R CB 2.225 32.431 30.300 -0.157 0.000 1.180 12 R HN 0.393 nan 8.270 nan 0.000 0.450 13 I N 4.370 124.880 120.570 -0.100 0.000 2.581 13 I HA -0.085 4.085 4.170 0.000 0.000 0.285 13 I C 1.618 177.707 176.117 -0.047 0.000 1.129 13 I CA 0.130 61.395 61.300 -0.059 0.000 1.397 13 I CB 0.832 38.808 38.000 -0.040 0.000 1.399 13 I HN 0.588 nan 8.210 nan 0.000 0.537 14 V N 4.134 124.028 119.914 -0.034 0.000 2.672 14 V HA 0.433 4.553 4.120 0.000 0.000 0.242 14 V C 0.789 176.874 176.094 -0.015 0.000 1.059 14 V CA 0.732 63.017 62.300 -0.025 0.000 1.081 14 V CB 0.045 31.856 31.823 -0.019 0.000 0.752 14 V HN 0.696 nan 8.190 nan 0.000 0.472 15 A N -0.587 122.227 122.820 -0.009 0.000 2.539 15 A HA 0.842 5.162 4.320 0.000 0.000 0.296 15 A C -1.206 176.376 177.584 -0.003 0.000 1.073 15 A CA -0.452 51.582 52.037 -0.005 0.000 0.700 15 A CB 2.344 21.344 19.000 -0.001 0.000 1.296 15 A HN 0.574 nan 8.150 nan 0.000 0.405 16 V N 1.462 121.374 119.914 -0.003 0.000 2.668 16 V HA 0.528 4.648 4.120 0.000 0.000 0.304 16 V C -1.464 174.629 176.094 -0.002 0.000 1.071 16 V CA -0.093 62.206 62.300 -0.002 0.000 0.894 16 V CB 1.486 33.307 31.823 -0.004 0.000 1.008 16 V HN 0.684 nan 8.190 nan 0.000 0.425 17 I N 4.502 125.071 120.570 -0.001 0.000 2.540 17 I HA 0.696 4.866 4.170 0.000 0.000 0.280 17 I C 0.776 176.892 176.117 -0.002 0.000 1.083 17 I CA 0.707 62.006 61.300 -0.002 0.000 1.080 17 I CB 1.493 39.492 38.000 -0.002 0.000 1.205 17 I HN 0.846 nan 8.210 nan 0.000 0.459 18 G N 4.631 113.430 108.800 -0.003 0.000 2.622 18 G HA2 -0.276 3.684 3.960 0.000 0.000 0.307 18 G HA3 -0.276 3.684 3.960 0.000 0.000 0.307 18 G C 0.848 175.747 174.900 -0.002 0.000 1.226 18 G CA 0.605 45.703 45.100 -0.004 0.000 0.997 18 G HN 1.056 nan 8.290 nan 0.000 0.551 19 A N -0.776 122.041 122.820 -0.004 0.000 2.337 19 A HA 0.612 4.932 4.320 0.000 0.000 0.227 19 A C 0.614 178.199 177.584 0.002 0.000 1.259 19 A CA 1.200 53.236 52.037 -0.001 0.000 0.870 19 A CB 0.158 19.155 19.000 -0.004 0.000 0.927 19 A HN 1.346 nan 8.150 nan 0.000 0.497 20 V N 1.334 121.249 119.914 0.002 0.000 2.313 20 V HA 0.276 4.396 4.120 0.000 0.000 0.278 20 V C -0.534 175.566 176.094 0.009 0.000 1.017 20 V CA -0.424 61.880 62.300 0.006 0.000 0.823 20 V CB 1.265 33.090 31.823 0.004 0.000 1.010 20 V HN 0.100 nan 8.190 nan 0.000 0.443 21 V N 4.143 124.066 119.914 0.015 0.000 2.370 21 V HA 0.432 4.552 4.120 0.000 0.000 0.283 21 V C -0.414 175.695 176.094 0.025 0.000 1.023 21 V CA -0.606 61.704 62.300 0.016 0.000 0.857 21 V CB 1.851 33.684 31.823 0.017 0.000 0.985 21 V HN 0.760 nan 8.190 nan 0.000 0.443 22 D N 3.609 124.021 120.400 0.020 0.000 2.274 22 D HA 0.536 5.176 4.640 0.000 0.000 0.239 22 D C -0.516 175.799 176.300 0.024 0.000 1.104 22 D CA 0.075 54.092 54.000 0.029 0.000 0.840 22 D CB 1.935 42.748 40.800 0.020 0.000 1.100 22 D HN 0.279 nan 8.370 nan 0.000 0.477 23 V N 2.598 122.542 119.914 0.050 0.000 2.540 23 V HA 0.368 4.488 4.120 0.000 0.000 0.302 23 V C -0.060 176.071 176.094 0.063 0.000 1.035 23 V CA -0.969 61.348 62.300 0.028 0.000 0.873 23 V CB 1.815 33.674 31.823 0.060 0.000 0.992 23 V HN 0.400 nan 8.190 nan 0.000 0.428 24 Q N 2.811 122.588 119.800 -0.038 0.000 2.256 24 Q HA 0.645 4.985 4.340 0.000 0.000 0.257 24 Q C -1.905 174.036 176.000 -0.099 0.000 0.936 24 Q CA -0.400 55.402 55.803 -0.002 0.000 0.903 24 Q CB 1.448 30.166 28.738 -0.034 0.000 1.263 24 Q HN 0.612 nan 8.270 nan 0.000 0.440 25 F N 1.668 121.588 119.950 -0.050 0.000 2.522 25 F HA 0.303 4.830 4.527 0.000 0.000 0.324 25 F C 0.547 176.321 175.800 -0.043 0.000 1.077 25 F CA -0.549 57.423 58.000 -0.047 0.000 0.944 25 F CB 2.008 40.972 39.000 -0.060 0.000 1.175 25 F HN 0.663 nan 8.300 nan 0.000 0.468 26 D N 0.143 120.616 120.400 0.122 0.000 2.369 26 D HA 0.016 4.656 4.640 0.000 0.000 0.231 26 D C -0.130 176.214 176.300 0.073 0.000 0.967 26 D CA 1.015 55.053 54.000 0.064 0.000 0.905 26 D CB 0.396 41.208 40.800 0.019 0.000 1.044 26 D HN 0.471 nan 8.370 nan 0.000 0.487 27 E N 0.354 120.614 120.200 0.100 0.000 2.191 27 E HA 0.486 4.836 4.350 0.000 0.000 0.263 27 E C 0.070 176.713 176.600 0.072 0.000 0.881 27 E CA -0.852 55.587 56.400 0.065 0.000 0.757 27 E CB 2.136 31.864 29.700 0.047 0.000 1.147 27 E HN 0.118 nan 8.360 nan 0.000 0.414 28 G N 2.546 111.352 108.800 0.010 0.000 2.788 28 G HA2 -0.213 3.747 3.960 0.000 0.000 0.249 28 G HA3 -0.213 3.747 3.960 0.000 0.000 0.249 28 G C -0.806 173.979 174.900 -0.192 0.000 1.008 28 G CA -0.634 44.433 45.100 -0.055 0.000 1.220 28 G HN 0.319 nan 8.290 nan 0.000 0.506 29 L N 5.182 126.257 121.223 -0.247 0.000 2.290 29 L HA 0.608 4.948 4.340 0.000 0.000 0.284 29 L C -1.207 175.409 176.870 -0.424 0.000 1.078 29 L CA -2.354 52.226 54.840 -0.432 0.000 0.815 29 L CB 0.647 42.492 42.059 -0.358 0.000 1.162 29 L HN 0.395 nan 8.230 nan 0.000 0.435 30 P HA 0.295 nan 4.420 nan 0.000 0.275 30 P C -2.743 174.530 177.300 -0.045 0.000 1.227 30 P CA -1.435 61.480 63.100 -0.308 0.000 0.781 30 P CB 0.061 31.543 31.700 -0.362 0.000 0.906 31 P HA 0.166 nan 4.420 nan 0.000 0.272 31 P C 0.311 177.641 177.300 0.049 0.000 1.230 31 P CA -0.104 63.049 63.100 0.087 0.000 0.788 31 P CB 0.403 32.101 31.700 -0.004 0.000 0.949 32 I N 2.307 122.839 120.570 -0.062 0.000 2.710 32 I HA -0.071 4.099 4.170 0.000 0.000 0.286 32 I C 1.446 177.493 176.117 -0.118 0.000 1.181 32 I CA 0.567 61.801 61.300 -0.109 0.000 1.430 32 I CB -0.343 37.532 38.000 -0.210 0.000 1.367 32 I HN 0.439 nan 8.210 nan 0.000 0.577 33 L N 2.098 123.246 121.223 -0.126 0.000 3.558 33 L HA -0.217 4.123 4.340 0.000 0.000 0.422 33 L C 0.239 177.053 176.870 -0.092 0.000 0.740 33 L CA 0.090 54.810 54.840 -0.200 0.000 2.578 33 L CB -1.364 40.485 42.059 -0.350 0.000 1.116 33 L HN 0.682 nan 8.230 nan 0.000 0.626 34 N N 1.337 120.008 118.700 -0.049 0.000 2.492 34 N HA 0.456 5.196 4.740 0.000 0.000 0.260 34 N C 0.218 175.731 175.510 0.005 0.000 1.215 34 N CA 0.996 54.034 53.050 -0.020 0.000 0.923 34 N CB 1.009 39.475 38.487 -0.034 0.000 1.092 34 N HN 0.302 nan 8.380 nan 0.000 0.448 35 A N 3.248 126.080 122.820 0.020 0.000 2.289 35 A HA 0.515 4.835 4.320 0.000 0.000 0.298 35 A C -0.310 177.295 177.584 0.035 0.000 1.208 35 A CA -0.584 51.473 52.037 0.034 0.000 0.845 35 A CB 0.042 19.064 19.000 0.036 0.000 1.125 35 A HN 0.625 nan 8.150 nan 0.000 0.517 36 L N 1.964 123.219 121.223 0.053 0.000 2.331 36 L HA 0.541 4.881 4.340 0.000 0.000 0.275 36 L C -0.113 176.791 176.870 0.056 0.000 1.022 36 L CA -0.773 54.112 54.840 0.076 0.000 0.812 36 L CB 1.431 43.569 42.059 0.132 0.000 1.257 36 L HN 0.609 nan 8.230 nan 0.000 0.435 37 E N 2.013 122.243 120.200 0.050 0.000 2.145 37 E HA 0.321 4.671 4.350 0.000 0.000 0.270 37 E C -0.787 175.827 176.600 0.024 0.000 0.906 37 E CA -0.665 55.752 56.400 0.028 0.000 0.761 37 E CB 2.814 32.523 29.700 0.016 0.000 1.116 37 E HN 0.221 nan 8.360 nan 0.000 0.408 38 V N 3.698 123.621 119.914 0.016 0.000 2.637 38 V HA -0.032 4.088 4.120 0.000 0.000 0.296 38 V C 0.524 176.616 176.094 -0.003 0.000 1.046 38 V CA -0.092 62.210 62.300 0.003 0.000 1.066 38 V CB 0.926 32.750 31.823 0.002 0.000 0.968 38 V HN 0.511 nan 8.190 nan 0.000 0.483 39 Q N 2.257 122.049 119.800 -0.013 0.000 2.222 39 Q HA 0.519 4.860 4.340 0.000 0.000 0.252 39 Q C 0.824 176.815 176.000 -0.015 0.000 0.926 39 Q CA 0.341 56.136 55.803 -0.014 0.000 0.899 39 Q CB 1.527 30.253 28.738 -0.019 0.000 1.250 39 Q HN 1.149 nan 8.270 nan 0.000 0.441 40 G N 2.064 110.857 108.800 -0.012 0.000 2.255 40 G HA2 -0.219 3.741 3.960 0.000 0.000 0.239 40 G HA3 -0.219 3.741 3.960 0.000 0.000 0.239 40 G C -0.250 174.645 174.900 -0.009 0.000 1.083 40 G CA -0.224 44.868 45.100 -0.012 0.000 0.826 40 G HN 0.396 nan 8.290 nan 0.000 0.493 41 R N -0.981 119.515 120.500 -0.007 0.000 2.686 41 R HA 0.417 4.757 4.340 0.000 0.000 0.283 41 R C 1.009 177.306 176.300 -0.004 0.000 0.978 41 R CA -0.613 55.484 56.100 -0.005 0.000 0.897 41 R CB 1.259 31.557 30.300 -0.004 0.000 1.192 41 R HN 0.264 nan 8.270 nan 0.000 0.457 42 E N 0.244 120.442 120.200 -0.003 0.000 2.118 42 E HA -0.143 4.207 4.350 0.000 0.000 0.195 42 E C 0.717 177.316 176.600 -0.002 0.000 0.992 42 E CA 1.580 57.979 56.400 -0.003 0.000 0.804 42 E CB 0.101 29.799 29.700 -0.002 0.000 0.741 42 E HN 0.647 nan 8.360 nan 0.000 0.458 43 T N -2.089 112.465 114.554 -0.001 0.000 2.907 43 T HA 0.403 4.753 4.350 0.000 0.000 0.290 43 T C -0.268 174.432 174.700 0.001 0.000 1.066 43 T CA -1.131 60.969 62.100 0.000 0.000 1.012 43 T CB 1.866 70.735 68.868 0.001 0.000 1.184 43 T HN -0.092 nan 8.240 nan 0.000 0.522 44 R N 0.386 120.888 120.500 0.002 0.000 2.502 44 R HA 0.321 4.661 4.340 0.000 0.000 0.292 44 R C -1.083 175.221 176.300 0.006 0.000 0.998 44 R CA -0.319 55.783 56.100 0.003 0.000 1.056 44 R CB -0.151 30.151 30.300 0.003 0.000 0.939 44 R HN 0.559 nan 8.270 nan 0.000 0.411 45 L N 5.870 127.097 121.223 0.007 0.000 2.388 45 L HA 0.304 4.644 4.340 0.000 0.000 0.267 45 L C -1.319 175.561 176.870 0.016 0.000 0.995 45 L CA -0.500 54.346 54.840 0.011 0.000 0.864 45 L CB 1.758 43.822 42.059 0.009 0.000 1.216 45 L HN 0.282 nan 8.230 nan 0.000 0.430 46 V N 5.688 125.613 119.914 0.020 0.000 2.465 46 V HA 0.404 4.524 4.120 0.000 0.000 0.279 46 V C 0.203 176.316 176.094 0.032 0.000 1.045 46 V CA -0.464 61.852 62.300 0.026 0.000 0.938 46 V CB 1.425 33.264 31.823 0.027 0.000 0.986 46 V HN 0.552 nan 8.190 nan 0.000 0.467 47 L N 4.311 125.558 121.223 0.039 0.000 2.305 47 L HA 0.547 4.887 4.340 0.000 0.000 0.284 47 L C 0.101 177.001 176.870 0.049 0.000 1.013 47 L CA -0.266 54.601 54.840 0.044 0.000 0.819 47 L CB 1.738 43.829 42.059 0.052 0.000 1.227 47 L HN 0.706 nan 8.230 nan 0.000 0.417 48 E N 3.170 123.399 120.200 0.048 0.000 2.109 48 E HA 0.313 4.663 4.350 0.000 0.000 0.278 48 E C -0.851 175.767 176.600 0.031 0.000 0.954 48 E CA -0.759 55.669 56.400 0.047 0.000 0.779 48 E CB 1.630 31.372 29.700 0.071 0.000 1.093 48 E HN 0.323 nan 8.360 nan 0.000 0.401 49 V N 3.979 123.907 119.914 0.023 0.000 2.694 49 V HA 0.048 4.168 4.120 0.000 0.000 0.306 49 V C 0.964 177.057 176.094 -0.001 0.000 1.054 49 V CA 1.110 63.427 62.300 0.028 0.000 1.161 49 V CB 0.947 32.792 31.823 0.037 0.000 0.916 49 V HN 0.909 nan 8.190 nan 0.000 0.490 50 A N 3.736 126.564 122.820 0.014 0.000 2.138 50 A HA 0.360 4.680 4.320 0.000 0.000 0.203 50 A C 0.522 178.096 177.584 -0.017 0.000 1.286 50 A CA 0.466 52.496 52.037 -0.011 0.000 0.929 50 A CB 0.377 19.377 19.000 0.000 0.000 0.975 50 A HN 0.935 nan 8.150 nan 0.000 0.480 51 Q N -1.184 118.634 119.800 0.030 0.000 2.647 51 Q HA 0.309 4.649 4.340 0.000 0.000 0.283 51 Q C -1.836 174.262 176.000 0.163 0.000 0.943 51 Q CA -0.743 55.070 55.803 0.018 0.000 0.813 51 Q CB 0.437 29.177 28.738 0.004 0.000 1.477 51 Q HN 0.492 nan 8.270 nan 0.000 0.393 52 H N 1.557 120.618 119.070 -0.014 0.000 2.641 52 H HA 0.295 4.851 4.556 -0.000 0.000 0.295 52 H C 0.462 175.789 175.328 -0.001 0.000 1.070 52 H CA -0.510 55.533 56.048 -0.009 0.000 1.257 52 H CB 1.021 30.773 29.762 -0.017 0.000 1.393 52 H HN 0.426 nan 8.280 nan 0.000 0.464 53 L N 2.978 124.270 121.223 0.116 0.000 2.622 53 L HA 0.094 4.434 4.340 0.000 0.000 0.233 53 L C 1.256 178.157 176.870 0.052 0.000 1.156 53 L CA 0.427 55.306 54.840 0.066 0.000 0.866 53 L CB -0.386 41.701 42.059 0.046 0.000 0.980 53 L HN 0.897 nan 8.230 nan 0.000 0.448 54 G N 0.348 109.183 108.800 0.058 0.000 2.781 54 G HA2 -0.224 3.736 3.960 0.000 0.000 0.683 54 G HA3 -0.224 3.736 3.960 0.000 0.000 0.683 54 G C 0.097 175.006 174.900 0.016 0.000 1.390 54 G CA -0.271 44.849 45.100 0.034 0.000 0.850 54 G HN 0.371 nan 8.290 nan 0.000 0.557 55 E N -1.091 119.115 120.200 0.009 0.000 2.553 55 E HA -0.188 4.162 4.350 0.000 0.000 0.264 55 E C 0.987 177.590 176.600 0.004 0.000 1.068 55 E CA 1.194 57.598 56.400 0.007 0.000 0.774 55 E CB -1.479 28.227 29.700 0.009 0.000 1.349 55 E HN 1.999 nan 8.360 nan 0.000 0.404 56 S N -1.492 114.203 115.700 -0.009 0.000 3.473 56 S HA -0.223 4.247 4.470 0.000 0.000 0.339 56 S C 0.133 174.743 174.600 0.018 0.000 1.148 56 S CA 1.541 59.736 58.200 -0.009 0.000 0.969 56 S CB -0.817 62.395 63.200 0.020 0.000 0.936 56 S HN 0.459 nan 8.310 nan 0.000 0.530 57 T N 1.173 115.731 114.554 0.007 0.000 2.888 57 T HA 0.653 5.003 4.350 0.000 0.000 0.284 57 T C 0.126 174.842 174.700 0.027 0.000 1.017 57 T CA -0.357 61.765 62.100 0.037 0.000 1.022 57 T CB 1.921 70.809 68.868 0.033 0.000 1.013 57 T HN 0.493 nan 8.240 nan 0.000 0.465 58 V N 0.772 120.728 119.914 0.070 0.000 2.604 58 V HA 0.754 4.874 4.120 0.000 0.000 0.305 58 V C -0.379 175.769 176.094 0.090 0.000 1.043 58 V CA -1.345 61.006 62.300 0.084 0.000 0.888 58 V CB 1.631 33.502 31.823 0.078 0.000 0.995 58 V HN 0.886 nan 8.190 nan 0.000 0.429 59 R N 2.879 123.430 120.500 0.085 0.000 2.312 59 R HA 0.762 5.102 4.340 0.000 0.000 0.311 59 R C -0.046 176.288 176.300 0.056 0.000 1.004 59 R CA 0.398 56.533 56.100 0.059 0.000 0.902 59 R CB 1.543 31.869 30.300 0.043 0.000 1.073 59 R HN 1.154 nan 8.270 nan 0.000 0.457 60 T N 1.228 115.811 114.554 0.048 0.000 2.907 60 T HA 0.531 4.881 4.350 0.000 0.000 0.290 60 T C -0.153 174.565 174.700 0.030 0.000 1.066 60 T CA -0.899 61.227 62.100 0.043 0.000 1.012 60 T CB 1.141 70.043 68.868 0.058 0.000 1.184 60 T HN 0.476 nan 8.240 nan 0.000 0.522 61 I N 1.846 122.432 120.570 0.028 0.000 2.382 61 I HA 0.543 4.713 4.170 0.000 0.000 0.285 61 I C 0.802 176.933 176.117 0.024 0.000 1.007 61 I CA -1.198 60.114 61.300 0.020 0.000 1.142 61 I CB 1.321 39.331 38.000 0.017 0.000 1.289 61 I HN 0.978 nan 8.210 nan 0.000 0.453 62 A N 7.225 130.056 122.820 0.018 0.000 2.483 62 A HA 0.287 4.607 4.320 0.000 0.000 0.238 62 A C 0.935 178.531 177.584 0.020 0.000 1.070 62 A CA 0.056 52.104 52.037 0.019 0.000 0.770 62 A CB 0.330 19.338 19.000 0.013 0.000 1.008 62 A HN 0.767 nan 8.150 nan 0.000 0.497 63 M N 0.554 120.168 119.600 0.022 0.000 2.428 63 M HA 0.200 4.680 4.480 0.000 0.000 0.239 63 M C -0.097 176.214 176.300 0.018 0.000 1.121 63 M CA 0.538 55.852 55.300 0.023 0.000 1.019 63 M CB -0.906 31.711 32.600 0.029 0.000 1.485 63 M HN 0.766 nan 8.290 nan 0.000 0.484 64 D N -0.944 119.465 120.400 0.014 0.000 2.643 64 D HA 0.437 5.077 4.640 0.000 0.000 0.283 64 D C -0.524 175.780 176.300 0.008 0.000 1.242 64 D CA -0.171 53.836 54.000 0.011 0.000 0.863 64 D CB 1.650 42.456 40.800 0.011 0.000 1.382 64 D HN 0.124 nan 8.370 nan 0.000 0.444 65 G N -0.573 108.231 108.800 0.006 0.000 2.368 65 G HA2 0.241 4.201 3.960 0.000 0.000 0.233 65 G HA3 0.241 4.201 3.960 0.000 0.000 0.233 65 G C 0.892 175.793 174.900 0.003 0.000 1.267 65 G CA 0.730 45.832 45.100 0.003 0.000 0.873 65 G HN 0.406 nan 8.290 nan 0.000 0.539 66 T N -1.027 113.528 114.554 0.002 0.000 3.105 66 T HA 0.197 4.547 4.350 0.000 0.000 0.253 66 T C 0.443 175.142 174.700 -0.001 0.000 1.047 66 T CA -0.167 61.933 62.100 0.001 0.000 0.944 66 T CB -0.018 68.850 68.868 0.001 0.000 1.016 66 T HN 0.585 nan 8.240 nan 0.000 0.544 67 E N 1.372 121.571 120.200 -0.001 0.000 2.413 67 E HA 0.459 4.809 4.350 0.000 0.000 0.263 67 E C 1.440 178.038 176.600 -0.003 0.000 1.015 67 E CA 0.485 56.883 56.400 -0.002 0.000 0.916 67 E CB -0.304 29.394 29.700 -0.002 0.000 0.947 67 E HN 0.264 nan 8.360 nan 0.000 0.440 68 G N 1.628 110.426 108.800 -0.004 0.000 2.284 68 G HA2 -0.295 3.665 3.960 0.000 0.000 0.230 68 G HA3 -0.295 3.665 3.960 0.000 0.000 0.230 68 G C 0.228 175.124 174.900 -0.007 0.000 1.021 68 G CA -0.022 45.075 45.100 -0.005 0.000 0.619 68 G HN 0.418 nan 8.290 nan 0.000 0.510 69 L N 0.831 122.050 121.223 -0.007 0.000 2.492 69 L HA 0.433 4.773 4.340 0.000 0.000 0.280 69 L C 0.615 177.478 176.870 -0.011 0.000 1.240 69 L CA 0.073 54.908 54.840 -0.009 0.000 0.831 69 L CB 0.686 42.740 42.059 -0.008 0.000 1.100 69 L HN 0.086 nan 8.230 nan 0.000 0.505 70 V N 1.493 121.398 119.914 -0.015 0.000 2.841 70 V HA 0.374 4.494 4.120 0.000 0.000 0.310 70 V C -0.063 176.018 176.094 -0.022 0.000 1.090 70 V CA -0.970 61.320 62.300 -0.017 0.000 0.930 70 V CB 1.964 33.777 31.823 -0.017 0.000 1.014 70 V HN 0.659 nan 8.190 nan 0.000 0.425 71 R N 1.815 122.303 120.500 -0.020 0.000 2.698 71 R HA 0.411 4.751 4.340 0.000 0.000 0.266 71 R C 1.386 177.667 176.300 -0.031 0.000 1.026 71 R CA 1.086 57.171 56.100 -0.025 0.000 1.102 71 R CB 0.093 30.381 30.300 -0.021 0.000 0.978 71 R HN 1.270 nan 8.270 nan 0.000 0.436 72 G N 0.880 109.655 108.800 -0.041 0.000 2.205 72 G HA2 -0.369 3.591 3.960 0.000 0.000 0.261 72 G HA3 -0.369 3.591 3.960 0.000 0.000 0.261 72 G C 0.211 175.077 174.900 -0.057 0.000 0.980 72 G CA 0.402 45.472 45.100 -0.050 0.000 0.632 72 G HN 0.624 nan 8.290 nan 0.000 0.533 73 Q N 1.055 120.825 119.800 -0.051 0.000 2.395 73 Q HA 0.394 4.734 4.340 0.000 0.000 0.271 73 Q C 0.348 176.304 176.000 -0.073 0.000 1.026 73 Q CA 0.058 55.830 55.803 -0.051 0.000 0.900 73 Q CB 0.390 29.106 28.738 -0.038 0.000 1.266 73 Q HN 0.318 nan 8.270 nan 0.000 0.430 74 K N 2.266 122.624 120.400 -0.070 0.000 2.249 74 K HA 0.337 4.657 4.320 0.000 0.000 0.280 74 K C -0.996 175.556 176.600 -0.080 0.000 1.033 74 K CA -0.408 55.824 56.287 -0.093 0.000 0.946 74 K CB 1.392 33.849 32.500 -0.073 0.000 1.005 74 K HN 0.379 nan 8.250 nan 0.000 0.469 75 V N 3.490 123.335 119.914 -0.116 0.000 2.656 75 V HA 0.345 4.465 4.120 0.000 0.000 0.307 75 V C -0.800 175.280 176.094 -0.023 0.000 1.051 75 V CA -1.055 61.208 62.300 -0.062 0.000 0.893 75 V CB 1.910 33.701 31.823 -0.055 0.000 0.999 75 V HN 0.554 nan 8.190 nan 0.000 0.426 76 L N 3.225 124.485 121.223 0.062 0.000 2.305 76 L HA 0.560 4.900 4.340 0.000 0.000 0.284 76 L C -0.184 176.784 176.870 0.163 0.000 1.013 76 L CA -0.137 54.771 54.840 0.113 0.000 0.819 76 L CB 1.528 43.618 42.059 0.052 0.000 1.227 76 L HN 0.717 nan 8.230 nan 0.000 0.417 77 D N 1.743 122.279 120.400 0.227 0.000 2.412 77 D HA -0.035 4.606 4.640 0.000 0.000 0.257 77 D C 1.179 177.507 176.300 0.045 0.000 1.217 77 D CA 0.688 54.750 54.000 0.103 0.000 0.897 77 D CB 1.215 42.014 40.800 -0.002 0.000 1.132 77 D HN 0.604 nan 8.370 nan 0.000 0.493 78 S N 2.892 118.608 115.700 0.027 0.000 2.507 78 S HA 0.043 4.513 4.470 0.000 0.000 0.235 78 S C 1.763 176.358 174.600 -0.008 0.000 0.988 78 S CA 0.755 58.958 58.200 0.006 0.000 0.944 78 S CB -0.246 62.953 63.200 -0.001 0.000 0.762 78 S HN 0.923 nan 8.310 nan 0.000 0.526 79 G N 0.356 109.148 108.800 -0.014 0.000 2.225 79 G HA2 -0.019 3.941 3.960 0.000 0.000 0.254 79 G HA3 -0.019 3.941 3.960 0.000 0.000 0.254 79 G C 0.219 175.108 174.900 -0.019 0.000 0.988 79 G CA 0.010 45.097 45.100 -0.022 0.000 0.625 79 G HN 1.560 nan 8.290 nan 0.000 0.527 80 A N -0.504 122.309 122.820 -0.012 0.000 2.533 80 A HA 0.963 5.283 4.320 0.000 0.000 0.293 80 A C -3.057 174.534 177.584 0.011 0.000 1.228 80 A CA -0.694 51.342 52.037 -0.002 0.000 0.689 80 A CB 1.117 20.118 19.000 0.002 0.000 1.303 80 A HN 0.156 nan 8.150 nan 0.000 0.444 81 P HA 0.427 nan 4.420 nan 0.000 0.278 81 P C -0.432 176.916 177.300 0.081 0.000 1.258 81 P CA -0.428 62.715 63.100 0.071 0.000 0.811 81 P CB 0.255 32.030 31.700 0.124 0.000 1.063 82 I N 1.203 121.836 120.570 0.106 0.000 2.919 82 I HA -0.120 4.050 4.170 0.000 0.000 0.299 82 I C 1.141 177.297 176.117 0.066 0.000 1.221 82 I CA 1.082 62.425 61.300 0.072 0.000 1.424 82 I CB -0.252 37.790 38.000 0.069 0.000 1.358 82 I HN 0.184 nan 8.210 nan 0.000 0.551 83 R N 7.068 127.601 120.500 0.055 0.000 2.637 83 R HA 0.755 5.096 4.340 0.000 0.000 0.291 83 R C -0.709 175.685 176.300 0.156 0.000 0.963 83 R CA -0.782 55.372 56.100 0.090 0.000 0.901 83 R CB 2.210 32.552 30.300 0.070 0.000 1.160 83 R HN 0.598 nan 8.270 nan 0.000 0.457 84 I N -1.388 119.304 120.570 0.203 0.000 2.865 84 I HA 0.578 4.749 4.170 0.000 0.000 0.302 84 I C -2.684 173.506 176.117 0.122 0.000 1.140 84 I CA -3.318 58.112 61.300 0.217 0.000 1.021 84 I CB 2.455 40.488 38.000 0.056 0.000 1.233 84 I HN 0.316 nan 8.210 nan 0.000 0.427 85 P HA 0.097 nan 4.420 nan 0.000 0.262 85 P C -0.612 176.403 177.300 -0.475 0.000 1.199 85 P CA 0.037 62.753 63.100 -0.641 0.000 0.763 85 P CB 0.521 32.007 31.700 -0.356 0.000 0.790 86 V N 1.327 120.863 119.914 -0.631 0.000 2.823 86 V HA 1.030 5.150 4.120 0.000 0.000 0.312 86 V C -0.001 175.504 176.094 -0.982 0.000 1.072 86 V CA -0.148 61.737 62.300 -0.692 0.000 0.937 86 V CB 1.687 33.150 31.823 -0.601 0.000 1.013 86 V HN 0.880 nan 8.190 nan 0.000 0.430 87 G N 3.770 111.861 108.800 -1.182 0.000 2.369 87 G HA2 0.260 4.220 3.960 0.000 0.000 0.295 87 G HA3 0.260 4.220 3.960 0.000 0.000 0.295 87 G C -2.888 171.869 174.900 -0.237 0.000 1.298 87 G CA 0.078 44.614 45.100 -0.940 0.000 0.940 87 G HN 0.608 nan 8.290 nan 0.000 0.536 88 P HA 0.070 nan 4.420 nan 0.000 0.229 88 P C 1.152 178.459 177.300 0.013 0.000 1.160 88 P CA 1.222 64.407 63.100 0.142 0.000 0.777 88 P CB 0.116 31.897 31.700 0.135 0.000 0.814 89 E N -0.117 120.056 120.200 -0.044 0.000 2.511 89 E HA -0.044 4.306 4.350 0.000 0.000 0.196 89 E C 1.140 177.710 176.600 -0.049 0.000 1.066 89 E CA 0.967 57.337 56.400 -0.049 0.000 0.871 89 E CB -1.352 28.310 29.700 -0.065 0.000 0.863 89 E HN 0.376 nan 8.360 nan 0.000 0.520 90 T N -1.830 112.699 114.554 -0.043 0.000 3.044 90 T HA 0.181 4.532 4.350 0.000 0.000 0.250 90 T C 1.044 175.760 174.700 0.027 0.000 1.081 90 T CA -0.358 61.728 62.100 -0.023 0.000 1.040 90 T CB -0.138 68.701 68.868 -0.048 0.000 0.962 90 T HN 0.010 nan 8.240 nan 0.000 0.506 91 L N 2.205 123.437 121.223 0.016 0.000 2.534 91 L HA 0.414 4.754 4.340 0.000 0.000 0.271 91 L C 1.586 178.463 176.870 0.011 0.000 1.178 91 L CA 1.035 55.861 54.840 -0.023 0.000 0.907 91 L CB 0.140 42.109 42.059 -0.150 0.000 1.164 91 L HN 0.607 nan 8.230 nan 0.000 0.482 92 G N 2.255 111.082 108.800 0.046 0.000 2.179 92 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 92 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 92 G C 0.252 175.218 174.900 0.109 0.000 0.977 92 G CA -0.400 44.745 45.100 0.075 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.533 93 R N -0.301 120.248 120.500 0.081 0.000 2.732 93 R HA 0.749 5.089 4.340 0.000 0.000 0.278 93 R C 0.206 176.534 176.300 0.046 0.000 0.976 93 R CA -1.013 55.124 56.100 0.060 0.000 0.963 93 R CB 1.049 31.365 30.300 0.027 0.000 1.150 93 R HN 0.278 nan 8.270 nan 0.000 0.478 94 I N 2.876 123.436 120.570 -0.017 0.000 2.377 94 I HA 0.441 4.611 4.170 0.000 0.000 0.293 94 I C 0.513 176.633 176.117 0.005 0.000 0.987 94 I CA -0.463 60.822 61.300 -0.025 0.000 1.185 94 I CB 1.466 39.346 38.000 -0.200 0.000 1.341 94 I HN 0.329 nan 8.210 nan 0.000 0.455 95 M N 5.182 124.813 119.600 0.052 0.000 2.631 95 M HA 0.519 4.999 4.480 0.000 0.000 0.288 95 M C -1.410 174.924 176.300 0.058 0.000 1.260 95 M CA -0.631 54.692 55.300 0.037 0.000 0.842 95 M CB 2.356 34.970 32.600 0.022 0.000 1.743 95 M HN 0.393 nan 8.290 nan 0.000 0.461 96 N N 0.582 119.308 118.700 0.044 0.000 2.347 96 N HA 0.249 4.989 4.740 0.000 0.000 0.253 96 N C 1.038 176.569 175.510 0.036 0.000 1.274 96 N CA -0.187 52.889 53.050 0.044 0.000 0.941 96 N CB 1.148 39.654 38.487 0.032 0.000 1.200 96 N HN 0.585 nan 8.380 nan 0.000 0.514 97 V N 0.708 120.642 119.914 0.034 0.000 2.343 97 V HA -0.195 3.925 4.120 0.000 0.000 0.247 97 V C 1.735 177.841 176.094 0.019 0.000 1.051 97 V CA 1.639 63.953 62.300 0.022 0.000 1.036 97 V CB -0.798 31.040 31.823 0.025 0.000 0.654 97 V HN 0.754 nan 8.190 nan 0.000 0.451 98 I N -0.717 119.869 120.570 0.026 0.000 3.752 98 I HA 0.541 4.711 4.170 0.000 0.000 0.313 98 I C 1.338 177.479 176.117 0.040 0.000 1.304 98 I CA 0.565 61.883 61.300 0.030 0.000 1.171 98 I CB -0.765 37.252 38.000 0.027 0.000 1.038 98 I HN 0.323 nan 8.210 nan 0.000 0.427 99 G N 1.221 110.045 108.800 0.039 0.000 2.168 99 G HA2 -0.289 3.671 3.960 0.000 0.000 0.257 99 G HA3 -0.289 3.671 3.960 0.000 0.000 0.257 99 G C -0.116 174.818 174.900 0.056 0.000 0.997 99 G CA 0.428 45.559 45.100 0.051 0.000 0.708 99 G HN 0.731 nan 8.290 nan 0.000 0.520 100 E N 1.285 121.510 120.200 0.041 0.000 2.266 100 E HA 0.417 4.767 4.350 0.000 0.000 0.277 100 E C -2.286 174.328 176.600 0.024 0.000 1.018 100 E CA -2.160 54.262 56.400 0.037 0.000 0.840 100 E CB 1.356 31.071 29.700 0.026 0.000 1.082 100 E HN 0.182 nan 8.360 nan 0.000 0.395 101 P HA -0.002 nan 4.420 nan 0.000 0.269 101 P C 0.172 177.467 177.300 -0.008 0.000 1.209 101 P CA 0.414 63.516 63.100 0.004 0.000 0.776 101 P CB 0.382 32.085 31.700 0.005 0.000 0.876 102 I N -1.401 119.150 120.570 -0.031 0.000 3.597 102 I HA 0.270 4.440 4.170 0.000 0.000 0.323 102 I C -0.064 175.994 176.117 -0.097 0.000 1.535 102 I CA -0.327 60.943 61.300 -0.050 0.000 1.028 102 I CB 0.291 38.263 38.000 -0.047 0.000 1.354 102 I HN 0.039 nan 8.210 nan 0.000 0.544 103 D N 0.286 120.633 120.400 -0.088 0.000 2.440 103 D HA 0.056 4.696 4.640 0.000 0.000 0.216 103 D C 0.370 176.655 176.300 -0.025 0.000 1.150 103 D CA -0.258 53.673 54.000 -0.114 0.000 0.832 103 D CB -0.003 40.712 40.800 -0.142 0.000 0.992 103 D HN 0.444 nan 8.370 nan 0.000 0.502 104 E N 0.156 120.347 120.200 -0.015 0.000 2.328 104 E HA -0.256 4.094 4.350 0.000 0.000 0.233 104 E C 0.047 176.659 176.600 0.019 0.000 1.219 104 E CA 0.285 56.688 56.400 0.006 0.000 0.717 104 E CB -0.890 28.817 29.700 0.012 0.000 1.210 104 E HN 0.393 nan 8.360 nan 0.000 0.381 105 R N -0.295 120.216 120.500 0.020 0.000 2.662 105 R HA 0.292 4.632 4.340 0.000 0.000 0.396 105 R C 0.614 176.926 176.300 0.021 0.000 1.096 105 R CA 0.257 56.373 56.100 0.027 0.000 1.081 105 R CB 1.244 31.568 30.300 0.040 0.000 1.382 105 R HN 0.323 nan 8.270 nan 0.000 0.580 106 G N 1.905 110.715 108.800 0.017 0.000 2.728 106 G HA2 -0.204 3.756 3.960 0.000 0.000 0.294 106 G HA3 -0.204 3.756 3.960 0.000 0.000 0.294 106 G C -2.779 172.132 174.900 0.018 0.000 1.342 106 G CA -1.248 43.862 45.100 0.017 0.000 0.866 106 G HN 0.037 nan 8.290 nan 0.000 0.534 107 P HA 0.524 nan 4.420 nan 0.000 0.274 107 P C 0.000 177.314 177.300 0.023 0.000 1.231 107 P CA -0.437 62.681 63.100 0.030 0.000 0.790 107 P CB 0.540 32.263 31.700 0.038 0.000 0.951 108 I N 2.342 122.926 120.570 0.025 0.000 2.281 108 I HA 0.154 4.324 4.170 0.000 0.000 0.293 108 I C 0.755 176.866 176.117 -0.010 0.000 1.085 108 I CA -0.052 61.244 61.300 -0.006 0.000 1.257 108 I CB -0.023 37.962 38.000 -0.025 0.000 1.430 108 I HN 0.057 nan 8.210 nan 0.000 0.489 109 K N 5.869 126.259 120.400 -0.016 0.000 2.231 109 K HA 0.274 4.594 4.320 0.000 0.000 0.275 109 K C -0.078 176.482 176.600 -0.066 0.000 1.105 109 K CA -0.319 55.962 56.287 -0.011 0.000 0.931 109 K CB 0.610 33.116 32.500 0.010 0.000 1.296 109 K HN 0.606 nan 8.250 nan 0.000 0.446 110 T N -1.040 113.430 114.554 -0.140 0.000 2.918 110 T HA 0.313 4.663 4.350 0.000 0.000 0.286 110 T C 0.932 175.520 174.700 -0.186 0.000 1.026 110 T CA -1.034 60.915 62.100 -0.252 0.000 1.031 110 T CB 2.035 70.587 68.868 -0.526 0.000 1.046 110 T HN 0.284 nan 8.240 nan 0.000 0.479 111 K N 0.554 120.856 120.400 -0.163 0.000 2.044 111 K HA 0.015 4.335 4.320 0.000 0.000 0.204 111 K C 0.364 176.923 176.600 -0.069 0.000 1.049 111 K CA 1.000 57.245 56.287 -0.070 0.000 0.945 111 K CB -0.039 32.439 32.500 -0.038 0.000 0.724 111 K HN 0.592 nan 8.250 nan 0.000 0.440 112 Q N -0.478 119.204 119.800 -0.196 0.000 2.297 112 Q HA 0.469 4.809 4.340 0.000 0.000 0.269 112 Q C -1.049 174.672 176.000 -0.465 0.000 1.051 112 Q CA -0.493 55.214 55.803 -0.159 0.000 0.869 112 Q CB 1.100 29.776 28.738 -0.104 0.000 1.346 112 Q HN -0.050 nan 8.270 nan 0.000 0.457 113 F N 0.158 120.063 119.950 -0.075 0.000 2.540 113 F HA 0.779 5.306 4.527 0.000 0.000 0.317 113 F C -0.391 175.376 175.800 -0.055 0.000 1.104 113 F CA -0.830 57.126 58.000 -0.073 0.000 0.913 113 F CB 1.988 40.960 39.000 -0.046 0.000 1.170 113 F HN 0.630 nan 8.300 nan 0.000 0.450 114 A N 1.892 124.752 122.820 0.067 0.000 2.355 114 A HA 0.894 5.214 4.320 0.000 0.000 0.324 114 A C -0.967 176.655 177.584 0.063 0.000 1.117 114 A CA -0.700 51.364 52.037 0.046 0.000 0.785 114 A CB 1.030 20.025 19.000 -0.009 0.000 1.254 114 A HN 0.905 nan 8.150 nan 0.000 0.453 115 A N 1.278 124.132 122.820 0.057 0.000 2.331 115 A HA 0.509 4.829 4.320 0.000 0.000 0.283 115 A C 1.052 178.652 177.584 0.027 0.000 1.142 115 A CA -0.140 51.933 52.037 0.060 0.000 0.812 115 A CB -0.137 18.910 19.000 0.078 0.000 1.074 115 A HN 1.542 nan 8.150 nan 0.000 0.497 116 I N -0.598 119.966 120.570 -0.009 0.000 2.916 116 I HA -0.015 4.155 4.170 0.000 0.000 0.267 116 I C -0.125 175.858 176.117 -0.224 0.000 1.263 116 I CA 0.758 61.981 61.300 -0.129 0.000 1.471 116 I CB -0.366 37.518 38.000 -0.194 0.000 1.089 116 I HN 0.478 nan 8.210 nan 0.000 0.468 117 H N 2.408 121.482 119.070 0.007 0.000 2.581 117 H HA 0.754 5.310 4.556 -0.000 0.000 0.308 117 H C -0.435 174.894 175.328 0.002 0.000 1.040 117 H CA -0.259 55.792 56.048 0.005 0.000 1.231 117 H CB 1.530 31.296 29.762 0.008 0.000 1.396 117 H HN 0.392 nan 8.280 nan 0.000 0.467 118 A N 3.412 126.286 122.820 0.089 0.000 2.485 118 A HA 0.476 4.796 4.320 0.000 0.000 0.292 118 A C -0.218 177.392 177.584 0.043 0.000 1.147 118 A CA -0.861 51.207 52.037 0.051 0.000 0.750 118 A CB 1.983 20.994 19.000 0.019 0.000 1.331 118 A HN 0.634 nan 8.150 nan 0.000 0.419 119 E N 0.067 120.285 120.200 0.030 0.000 2.280 119 E HA 0.537 4.887 4.350 0.000 0.000 0.264 119 E C -0.019 176.591 176.600 0.017 0.000 1.064 119 E CA -0.554 55.862 56.400 0.026 0.000 0.900 119 E CB 1.719 31.433 29.700 0.024 0.000 1.123 119 E HN 0.773 nan 8.360 nan 0.000 0.418 120 A N 2.297 125.129 122.820 0.019 0.000 2.371 120 A HA 0.378 4.698 4.320 0.000 0.000 0.257 120 A C -2.166 175.428 177.584 0.017 0.000 1.089 120 A CA -1.255 50.790 52.037 0.012 0.000 0.794 120 A CB -0.388 18.623 19.000 0.018 0.000 1.029 120 A HN 0.299 nan 8.150 nan 0.000 0.488 121 P HA 0.048 nan 4.420 nan 0.000 0.264 121 P C -0.148 177.168 177.300 0.027 0.000 1.179 121 P CA 0.234 63.338 63.100 0.007 0.000 0.763 121 P CB 0.361 32.055 31.700 -0.009 0.000 0.806 122 E N 1.362 121.583 120.200 0.035 0.000 2.371 122 E HA 0.025 4.375 4.350 0.000 0.000 0.257 122 E C 0.911 177.567 176.600 0.092 0.000 1.134 122 E CA -0.362 56.082 56.400 0.074 0.000 0.919 122 E CB 0.157 29.900 29.700 0.071 0.000 1.025 122 E HN 0.380 nan 8.360 nan 0.000 0.438 123 F N 2.031 121.980 119.950 -0.001 0.000 2.065 123 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 123 F C 2.014 177.812 175.800 -0.002 0.000 1.112 123 F CA 2.262 60.261 58.000 -0.001 0.000 1.212 123 F CB -0.472 38.527 39.000 -0.001 0.000 0.975 123 F HN 0.293 nan 8.300 nan 0.000 0.476 124 V N -1.509 118.459 119.914 0.090 0.000 2.828 124 V HA -0.228 3.892 4.120 0.000 0.000 0.260 124 V C 1.569 177.618 176.094 -0.075 0.000 1.101 124 V CA 2.080 64.376 62.300 -0.007 0.000 1.123 124 V CB -1.207 30.655 31.823 0.065 0.000 0.704 124 V HN 0.535 nan 8.190 nan 0.000 0.493 125 E N -0.319 119.843 120.200 -0.064 0.000 2.442 125 E HA 0.129 4.479 4.350 0.000 0.000 0.195 125 E C 0.718 177.259 176.600 -0.098 0.000 1.030 125 E CA -0.162 56.201 56.400 -0.061 0.000 0.869 125 E CB -0.098 29.584 29.700 -0.030 0.000 0.857 125 E HN 0.457 nan 8.360 nan 0.000 0.505 126 M N 1.186 120.687 119.600 -0.166 0.000 2.219 126 M HA 0.056 4.536 4.480 0.000 0.000 0.307 126 M C 0.513 176.720 176.300 -0.155 0.000 1.116 126 M CA 0.185 55.378 55.300 -0.179 0.000 1.181 126 M CB 0.559 32.989 32.600 -0.284 0.000 1.410 126 M HN -0.115 nan 8.290 nan 0.000 0.454 127 S N 0.362 115.992 115.700 -0.118 0.000 2.600 127 S HA 0.784 5.254 4.470 0.000 0.000 0.300 127 S C -0.148 174.403 174.600 -0.082 0.000 1.087 127 S CA -0.503 57.644 58.200 -0.088 0.000 0.965 127 S CB 1.414 64.577 63.200 -0.061 0.000 1.089 127 S HN 0.728 nan 8.310 nan 0.000 0.496 128 V N -0.356 119.520 119.914 -0.064 0.000 3.265 128 V HA 0.542 4.662 4.120 0.000 0.000 0.346 128 V C -0.393 175.682 176.094 -0.032 0.000 1.447 128 V CA -0.543 61.727 62.300 -0.049 0.000 1.179 128 V CB 0.100 31.891 31.823 -0.054 0.000 1.103 128 V HN 0.665 nan 8.190 nan 0.000 0.530 129 E N 2.341 122.524 120.200 -0.028 0.000 2.338 129 E HA 0.415 4.765 4.350 0.000 0.000 0.272 129 E C -0.430 176.164 176.600 -0.010 0.000 1.029 129 E CA 0.216 56.606 56.400 -0.017 0.000 0.872 129 E CB 1.181 30.871 29.700 -0.016 0.000 1.015 129 E HN 0.618 nan 8.360 nan 0.000 0.417 130 Q N 2.336 122.134 119.800 -0.003 0.000 2.401 130 Q HA 0.303 4.643 4.340 0.000 0.000 0.260 130 Q C -0.561 175.447 176.000 0.014 0.000 1.034 130 Q CA -0.258 55.548 55.803 0.005 0.000 0.737 130 Q CB 1.806 30.547 28.738 0.005 0.000 1.227 130 Q HN 0.429 nan 8.270 nan 0.000 0.488 131 E N 2.601 122.813 120.200 0.019 0.000 2.183 131 E HA 0.397 4.747 4.350 0.000 0.000 0.271 131 E C -0.831 175.795 176.600 0.043 0.000 0.919 131 E CA -0.660 55.757 56.400 0.028 0.000 0.781 131 E CB 1.871 31.585 29.700 0.024 0.000 1.140 131 E HN 0.542 nan 8.360 nan 0.000 0.402 132 I N 4.422 125.023 120.570 0.052 0.000 2.634 132 I HA 0.083 4.253 4.170 0.000 0.000 0.284 132 I C -0.897 175.264 176.117 0.074 0.000 1.124 132 I CA -0.335 61.007 61.300 0.070 0.000 1.417 132 I CB 0.509 38.558 38.000 0.081 0.000 1.396 132 I HN 0.450 nan 8.210 nan 0.000 0.571 133 L N 8.899 130.177 121.223 0.093 0.000 2.301 133 L HA 0.396 4.736 4.340 0.000 0.000 0.278 133 L C -0.838 176.076 176.870 0.073 0.000 1.022 133 L CA -0.317 54.580 54.840 0.094 0.000 0.854 133 L CB 1.122 43.259 42.059 0.130 0.000 1.226 133 L HN 0.347 nan 8.230 nan 0.000 0.429 134 V N 4.119 124.064 119.914 0.052 0.000 2.614 134 V HA 0.233 4.353 4.120 0.000 0.000 0.291 134 V C 1.375 177.474 176.094 0.008 0.000 1.049 134 V CA 0.596 62.909 62.300 0.023 0.000 1.038 134 V CB 1.048 32.888 31.823 0.028 0.000 0.980 134 V HN 0.923 nan 8.190 nan 0.000 0.481 135 T N -0.530 114.001 114.554 -0.038 0.000 2.971 135 T HA 0.326 4.676 4.350 0.000 0.000 0.252 135 T C 1.328 176.005 174.700 -0.039 0.000 1.022 135 T CA 0.782 62.859 62.100 -0.039 0.000 0.980 135 T CB 0.635 69.436 68.868 -0.112 0.000 1.044 135 T HN 1.522 nan 8.240 nan 0.000 0.501 136 G N 1.801 110.582 108.800 -0.031 0.000 2.175 136 G HA2 -0.159 3.801 3.960 0.000 0.000 0.244 136 G HA3 -0.159 3.801 3.960 0.000 0.000 0.244 136 G C 0.008 174.905 174.900 -0.004 0.000 0.982 136 G CA 0.015 45.107 45.100 -0.014 0.000 0.641 136 G HN 0.599 nan 8.290 nan 0.000 0.527 137 I N 1.481 122.039 120.570 -0.020 0.000 2.312 137 I HA 0.203 4.373 4.170 0.000 0.000 0.291 137 I C 1.614 177.736 176.117 0.009 0.000 1.031 137 I CA -0.349 60.973 61.300 0.035 0.000 1.293 137 I CB 1.091 39.105 38.000 0.023 0.000 1.403 137 I HN 0.084 nan 8.210 nan 0.000 0.484 138 K N 4.075 124.482 120.400 0.012 0.000 1.987 138 K HA -0.161 4.159 4.320 0.000 0.000 0.216 138 K C 1.834 178.433 176.600 -0.001 0.000 1.051 138 K CA 1.615 57.906 56.287 0.006 0.000 0.942 138 K CB -0.216 32.257 32.500 -0.046 0.000 0.722 138 K HN 0.570 nan 8.250 nan 0.000 0.444 139 V N 0.855 120.762 119.914 -0.012 0.000 2.282 139 V HA -0.245 3.875 4.120 0.000 0.000 0.249 139 V C 2.382 178.447 176.094 -0.048 0.000 1.057 139 V CA 1.749 64.023 62.300 -0.043 0.000 1.032 139 V CB -0.892 30.925 31.823 -0.008 0.000 0.645 139 V HN 0.086 nan 8.190 nan 0.000 0.447 140 V N 0.622 120.504 119.914 -0.053 0.000 2.223 140 V HA -0.254 3.866 4.120 0.000 0.000 0.244 140 V C 2.499 178.517 176.094 -0.127 0.000 1.045 140 V CA 2.499 64.717 62.300 -0.138 0.000 1.000 140 V CB -0.786 30.855 31.823 -0.303 0.000 0.635 140 V HN 0.516 nan 8.190 nan 0.000 0.445 141 D N -0.201 120.135 120.400 -0.108 0.000 2.126 141 D HA -0.199 4.441 4.640 0.000 0.000 0.190 141 D C 1.910 178.268 176.300 0.097 0.000 1.001 141 D CA 1.667 55.654 54.000 -0.022 0.000 0.841 141 D CB -0.458 40.329 40.800 -0.022 0.000 0.949 141 D HN 0.329 nan 8.370 nan 0.000 0.446 142 L N 0.157 121.407 121.223 0.046 0.000 1.988 142 L HA -0.085 4.255 4.340 0.000 0.000 0.207 142 L C 2.138 179.084 176.870 0.127 0.000 1.071 142 L CA 1.607 56.505 54.840 0.097 0.000 0.744 142 L CB -0.481 41.505 42.059 -0.122 0.000 0.893 142 L HN 0.027 nan 8.230 nan 0.000 0.433 143 L N -1.075 120.137 121.223 -0.018 0.000 2.298 143 L HA 0.241 4.581 4.340 0.000 0.000 0.209 143 L C 0.968 177.824 176.870 -0.024 0.000 1.084 143 L CA 0.580 55.389 54.840 -0.050 0.000 0.816 143 L CB -0.247 41.761 42.059 -0.084 0.000 0.967 143 L HN 0.329 nan 8.230 nan 0.000 0.460 144 A N 0.218 123.041 122.820 0.005 0.000 3.410 144 A HA 0.402 4.723 4.320 0.000 0.000 0.276 144 A C -2.555 175.076 177.584 0.078 0.000 0.995 144 A CA -0.944 51.124 52.037 0.052 0.000 0.934 144 A CB -0.295 18.762 19.000 0.095 0.000 1.191 144 A HN -0.134 nan 8.150 nan 0.000 0.511 145 P HA -0.009 nan 4.420 nan 0.000 0.263 145 P C -0.506 176.903 177.300 0.182 0.000 1.175 145 P CA 0.737 63.860 63.100 0.039 0.000 0.761 145 P CB 0.425 32.159 31.700 0.057 0.000 0.794 146 Y N 1.367 121.692 120.300 0.041 0.000 2.286 146 Y HA 0.518 5.068 4.550 0.000 0.000 0.347 146 Y C 1.051 176.962 175.900 0.018 0.000 1.351 146 Y CA -1.561 56.554 58.100 0.025 0.000 1.640 146 Y CB -0.051 38.420 38.460 0.019 0.000 1.560 146 Y HN 0.450 nan 8.280 nan 0.000 0.574 147 A N 0.462 123.387 122.820 0.173 0.000 2.488 147 A HA 0.469 4.789 4.320 0.000 0.000 0.298 147 A C -0.913 176.697 177.584 0.044 0.000 1.044 147 A CA -1.159 50.931 52.037 0.087 0.000 0.693 147 A CB 0.975 20.008 19.000 0.055 0.000 1.272 147 A HN 0.644 nan 8.150 nan 0.000 0.402 148 K N 0.860 121.284 120.400 0.039 0.000 2.524 148 K HA 0.298 4.618 4.320 0.000 0.000 0.279 148 K C 1.233 177.830 176.600 -0.006 0.000 0.993 148 K CA 1.177 57.474 56.287 0.017 0.000 1.030 148 K CB 0.226 32.741 32.500 0.026 0.000 0.891 148 K HN 1.818 nan 8.250 nan 0.000 0.488 149 G N 1.884 110.667 108.800 -0.028 0.000 2.175 149 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 149 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 149 G C 0.519 175.388 174.900 -0.052 0.000 0.979 149 G CA 0.306 45.382 45.100 -0.041 0.000 0.663 149 G HN 0.887 nan 8.290 nan 0.000 0.533 150 G N -0.880 107.889 108.800 -0.053 0.000 2.557 150 G HA2 0.577 4.537 3.960 0.000 0.000 0.292 150 G HA3 0.577 4.537 3.960 0.000 0.000 0.292 150 G C -0.202 174.637 174.900 -0.101 0.000 1.237 150 G CA -0.666 44.400 45.100 -0.057 0.000 0.978 150 G HN 0.345 nan 8.290 nan 0.000 0.498 151 K N 0.163 120.508 120.400 -0.093 0.000 2.316 151 K HA 0.409 4.729 4.320 0.000 0.000 0.267 151 K C -0.728 175.779 176.600 -0.154 0.000 1.025 151 K CA -0.162 56.051 56.287 -0.123 0.000 0.896 151 K CB 1.532 33.989 32.500 -0.072 0.000 1.124 151 K HN 0.275 nan 8.250 nan 0.000 0.451 152 I N 1.106 121.519 120.570 -0.262 0.000 2.525 152 I HA 0.456 4.626 4.170 0.000 0.000 0.301 152 I C 0.472 176.429 176.117 -0.266 0.000 0.992 152 I CA -0.663 60.420 61.300 -0.361 0.000 1.162 152 I CB 2.078 39.615 38.000 -0.773 0.000 1.332 152 I HN 0.573 nan 8.210 nan 0.000 0.458 153 G N 5.723 114.418 108.800 -0.175 0.000 2.687 153 G HA2 0.687 4.647 3.960 0.000 0.000 0.301 153 G HA3 0.687 4.647 3.960 0.000 0.000 0.301 153 G C -1.203 173.648 174.900 -0.083 0.000 1.416 153 G CA -0.547 44.441 45.100 -0.187 0.000 1.005 153 G HN 0.437 nan 8.290 nan 0.000 0.509 154 L N 2.053 123.195 121.223 -0.135 0.000 2.295 154 L HA 0.455 4.795 4.340 0.000 0.000 0.281 154 L C -0.812 176.014 176.870 -0.073 0.000 1.018 154 L CA -0.652 54.200 54.840 0.021 0.000 0.841 154 L CB 0.923 43.020 42.059 0.064 0.000 1.218 154 L HN 0.318 nan 8.230 nan 0.000 0.424 155 F N 1.543 121.482 119.950 -0.018 0.000 2.410 155 F HA 0.658 5.185 4.527 -0.000 0.000 0.348 155 F C 1.023 176.805 175.800 -0.030 0.000 1.106 155 F CA -0.165 57.801 58.000 -0.057 0.000 1.163 155 F CB 1.762 40.719 39.000 -0.070 0.000 1.129 155 F HN 0.441 nan 8.300 nan 0.000 0.516 156 G N 1.542 110.376 108.800 0.056 0.000 2.766 156 G HA2 0.504 4.464 3.960 0.000 0.000 0.297 156 G HA3 0.504 4.464 3.960 0.000 0.000 0.297 156 G C -0.540 174.281 174.900 -0.133 0.000 1.431 156 G CA -0.548 44.562 45.100 0.017 0.000 1.042 156 G HN 0.935 nan 8.290 nan 0.000 0.542 157 G N -0.040 108.675 108.800 -0.141 0.000 2.611 157 G HA2 0.653 4.613 3.960 0.000 0.000 0.273 157 G HA3 0.653 4.613 3.960 0.000 0.000 0.273 157 G C 0.788 175.612 174.900 -0.127 0.000 1.305 157 G CA 0.318 45.246 45.100 -0.287 0.000 1.010 157 G HN 1.557 nan 8.290 nan 0.000 0.509 158 A N -1.348 121.476 122.820 0.006 0.000 2.540 158 A HA 0.501 4.821 4.320 0.000 0.000 0.239 158 A C 1.602 179.267 177.584 0.135 0.000 1.061 158 A CA 1.055 53.248 52.037 0.259 0.000 0.758 158 A CB -0.551 18.641 19.000 0.319 0.000 0.991 158 A HN 2.573 nan 8.150 nan 0.000 0.502 159 G N 1.108 109.989 108.800 0.134 0.000 2.305 159 G HA2 -0.183 3.777 3.960 0.000 0.000 0.287 159 G HA3 -0.183 3.777 3.960 0.000 0.000 0.287 159 G C 0.486 175.435 174.900 0.082 0.000 1.036 159 G CA 0.453 45.604 45.100 0.086 0.000 0.887 159 G HN 1.316 nan 8.290 nan 0.000 0.505 160 V N -1.284 118.688 119.914 0.098 0.000 3.307 160 V HA 0.531 4.651 4.120 0.000 0.000 0.253 160 V C 2.096 178.287 176.094 0.161 0.000 1.149 160 V CA 1.535 63.906 62.300 0.119 0.000 1.112 160 V CB 0.408 32.280 31.823 0.081 0.000 0.777 160 V HN 1.750 nan 8.190 nan 0.000 0.464 161 G N -0.002 108.878 108.800 0.133 0.000 2.507 161 G HA2 -0.131 3.830 3.960 0.000 0.000 0.205 161 G HA3 -0.131 3.830 3.960 0.000 0.000 0.205 161 G C 0.729 175.725 174.900 0.159 0.000 0.996 161 G CA 0.170 45.361 45.100 0.151 0.000 0.776 161 G HN 0.353 nan 8.290 nan 0.000 0.532 162 K N 0.259 120.742 120.400 0.138 0.000 2.009 162 K HA -0.069 4.251 4.320 0.000 0.000 0.210 162 K C 2.463 179.149 176.600 0.142 0.000 1.049 162 K CA 2.011 58.378 56.287 0.135 0.000 0.929 162 K CB -0.374 32.195 32.500 0.116 0.000 0.714 162 K HN 0.235 nan 8.250 nan 0.000 0.440 163 T N 1.125 115.761 114.554 0.137 0.000 2.777 163 T HA -0.085 4.265 4.350 0.000 0.000 0.266 163 T C 2.076 176.854 174.700 0.130 0.000 1.040 163 T CA 1.052 63.236 62.100 0.141 0.000 1.141 163 T CB -0.166 68.782 68.868 0.134 0.000 0.868 163 T HN -0.050 nan 8.240 nan 0.000 0.444 164 V N 1.507 121.501 119.914 0.133 0.000 2.407 164 V HA -0.103 4.017 4.120 0.000 0.000 0.248 164 V C 2.367 178.568 176.094 0.178 0.000 1.055 164 V CA 1.223 63.617 62.300 0.156 0.000 1.049 164 V CB -0.572 31.349 31.823 0.163 0.000 0.662 164 V HN 0.326 nan 8.190 nan 0.000 0.455 165 L N -0.421 120.930 121.223 0.213 0.000 2.093 165 L HA -0.072 4.268 4.340 0.000 0.000 0.208 165 L C 2.097 179.022 176.870 0.092 0.000 1.085 165 L CA 1.738 56.686 54.840 0.180 0.000 0.755 165 L CB -0.477 41.734 42.059 0.254 0.000 0.904 165 L HN 0.198 nan 8.230 nan 0.000 0.435 166 I N -1.274 119.371 120.570 0.124 0.000 2.226 166 I HA -0.305 3.865 4.170 0.000 0.000 0.245 166 I C 2.258 178.373 176.117 -0.002 0.000 1.100 166 I CA 0.958 62.334 61.300 0.126 0.000 1.374 166 I CB -0.117 37.996 38.000 0.188 0.000 1.057 166 I HN 0.305 nan 8.210 nan 0.000 0.413 167 M N -0.191 119.407 119.600 -0.003 0.000 2.067 167 M HA -0.239 4.241 4.480 0.000 0.000 0.260 167 M C 2.222 178.457 176.300 -0.108 0.000 1.069 167 M CA 1.729 56.992 55.300 -0.063 0.000 1.117 167 M CB -1.419 31.175 32.600 -0.009 0.000 1.334 167 M HN 0.110 nan 8.290 nan 0.000 0.407 168 E N 0.727 120.841 120.200 -0.144 0.000 2.118 168 E HA -0.140 4.210 4.350 0.000 0.000 0.195 168 E C 2.049 178.521 176.600 -0.214 0.000 0.992 168 E CA 1.257 57.484 56.400 -0.289 0.000 0.804 168 E CB -0.320 28.915 29.700 -0.776 0.000 0.741 168 E HN 0.480 nan 8.360 nan 0.000 0.458 169 L N -0.174 120.976 121.223 -0.121 0.000 2.093 169 L HA -0.111 4.229 4.340 0.000 0.000 0.208 169 L C 2.438 179.317 176.870 0.014 0.000 1.085 169 L CA 0.855 55.705 54.840 0.016 0.000 0.755 169 L CB -0.307 41.870 42.059 0.198 0.000 0.904 169 L HN 0.219 nan 8.230 nan 0.000 0.435 170 I N 0.021 120.499 120.570 -0.153 0.000 2.208 170 I HA -0.346 3.824 4.170 0.000 0.000 0.245 170 I C 2.297 178.352 176.117 -0.103 0.000 1.097 170 I CA 1.704 62.832 61.300 -0.287 0.000 1.363 170 I CB -0.279 37.436 38.000 -0.474 0.000 1.051 170 I HN 0.384 nan 8.210 nan 0.000 0.413 171 N N 1.086 119.728 118.700 -0.096 0.000 2.028 171 N HA -0.205 4.535 4.740 0.000 0.000 0.194 171 N C 1.579 177.071 175.510 -0.029 0.000 1.050 171 N CA 1.803 54.817 53.050 -0.059 0.000 0.848 171 N CB -0.052 38.393 38.487 -0.070 0.000 1.038 171 N HN 0.128 nan 8.380 nan 0.000 0.423 172 N N -0.922 117.756 118.700 -0.038 0.000 2.364 172 N HA -0.058 4.682 4.740 0.000 0.000 0.183 172 N C 1.010 176.536 175.510 0.028 0.000 1.022 172 N CA 0.692 53.732 53.050 -0.016 0.000 0.883 172 N CB 0.173 38.632 38.487 -0.047 0.000 0.965 172 N HN 0.181 nan 8.380 nan 0.000 0.438 173 V N -0.808 119.143 119.914 0.061 0.000 3.054 173 V HA 0.258 4.378 4.120 0.000 0.000 0.227 173 V C 1.956 178.128 176.094 0.131 0.000 1.252 173 V CA 0.784 63.147 62.300 0.104 0.000 1.279 173 V CB -0.618 31.289 31.823 0.140 0.000 1.118 173 V HN 0.135 nan 8.190 nan 0.000 0.504 174 A N 0.239 123.152 122.820 0.154 0.000 1.908 174 A HA -0.233 4.087 4.320 0.000 0.000 0.218 174 A C 2.146 179.816 177.584 0.144 0.000 1.181 174 A CA 2.103 54.243 52.037 0.172 0.000 0.627 174 A CB -0.492 18.601 19.000 0.156 0.000 0.818 174 A HN 0.474 nan 8.150 nan 0.000 0.445 175 K N -0.605 119.842 120.400 0.078 0.000 2.074 175 K HA -0.116 4.204 4.320 0.000 0.000 0.209 175 K C 1.159 177.801 176.600 0.071 0.000 1.048 175 K CA 1.298 57.620 56.287 0.058 0.000 0.926 175 K CB -0.274 32.239 32.500 0.022 0.000 0.713 175 K HN 0.426 nan 8.250 nan 0.000 0.444 176 A N 1.576 124.446 122.820 0.083 0.000 3.264 176 A HA 0.086 4.406 4.320 0.000 0.000 0.299 176 A C -0.838 176.812 177.584 0.110 0.000 1.272 176 A CA -0.384 51.695 52.037 0.070 0.000 1.030 176 A CB -0.459 18.568 19.000 0.046 0.000 1.102 176 A HN 0.289 nan 8.150 nan 0.000 0.615 177 H N -0.313 118.771 119.070 0.022 0.000 2.481 177 H HA 0.573 5.129 4.556 0.000 0.000 0.333 177 H C 0.411 175.729 175.328 -0.018 0.000 1.066 177 H CA 0.090 56.146 56.048 0.013 0.000 1.209 177 H CB 1.340 31.127 29.762 0.041 0.000 1.445 177 H HN 0.249 nan 8.280 nan 0.000 0.488 178 G N 3.029 111.538 108.800 -0.485 0.000 2.338 178 G HA2 0.526 4.486 3.960 0.000 0.000 0.295 178 G HA3 0.526 4.486 3.960 0.000 0.000 0.295 178 G C -0.115 174.282 174.900 -0.838 0.000 1.132 178 G CA 0.259 45.081 45.100 -0.463 0.000 0.922 178 G HN 1.054 nan 8.290 nan 0.000 0.427 179 G N 1.200 109.607 108.800 -0.655 0.000 2.354 179 G HA2 0.196 4.156 3.960 0.000 0.000 0.582 179 G HA3 0.196 4.156 3.960 0.000 0.000 0.582 179 G C -1.106 173.601 174.900 -0.323 0.000 1.316 179 G CA -1.059 43.645 45.100 -0.660 0.000 0.995 179 G HN 0.553 nan 8.290 nan 0.000 0.573 180 Y N -0.035 120.255 120.300 -0.016 0.000 2.480 180 Y HA 0.830 5.380 4.550 0.000 0.000 0.323 180 Y C 1.105 177.063 175.900 0.097 0.000 1.267 180 Y CA -0.852 57.208 58.100 -0.067 0.000 1.336 180 Y CB 1.756 39.921 38.460 -0.492 0.000 1.361 180 Y HN 0.618 nan 8.280 nan 0.000 0.518 181 S N -0.247 115.610 115.700 0.262 0.000 2.546 181 S HA 0.742 5.212 4.470 0.000 0.000 0.274 181 S C -1.578 173.158 174.600 0.227 0.000 1.121 181 S CA -0.789 57.552 58.200 0.235 0.000 0.887 181 S CB 2.050 65.423 63.200 0.288 0.000 1.094 181 S HN 0.272 nan 8.310 nan 0.000 0.474 182 V N 2.794 122.847 119.914 0.231 0.000 2.569 182 V HA 0.498 4.618 4.120 0.000 0.000 0.301 182 V C -1.371 174.859 176.094 0.226 0.000 1.044 182 V CA -0.614 61.809 62.300 0.205 0.000 0.874 182 V CB 1.353 33.265 31.823 0.149 0.000 1.002 182 V HN 0.848 nan 8.190 nan 0.000 0.424 183 F N 4.353 124.356 119.950 0.087 0.000 2.411 183 F HA 0.799 5.326 4.527 -0.000 0.000 0.352 183 F C 0.299 176.019 175.800 -0.134 0.000 1.123 183 F CA -0.536 57.489 58.000 0.043 0.000 1.044 183 F CB 1.269 40.280 39.000 0.019 0.000 1.135 183 F HN 0.566 nan 8.300 nan 0.000 0.461 184 A N 4.719 127.224 122.820 -0.526 0.000 2.285 184 A HA 0.636 4.957 4.320 0.000 0.000 0.310 184 A C -0.077 177.196 177.584 -0.520 0.000 1.266 184 A CA -0.364 51.430 52.037 -0.405 0.000 0.832 184 A CB 0.251 19.082 19.000 -0.280 0.000 1.163 184 A HN 1.020 nan 8.150 nan 0.000 0.499 185 G N 1.485 109.995 108.800 -0.484 0.000 2.350 185 G HA2 0.505 4.465 3.960 0.000 0.000 0.306 185 G HA3 0.505 4.465 3.960 0.000 0.000 0.306 185 G C -0.543 174.338 174.900 -0.032 0.000 1.094 185 G CA -0.174 44.839 45.100 -0.146 0.000 0.953 185 G HN 0.753 nan 8.290 nan 0.000 0.420 186 V N 2.499 122.409 119.914 -0.006 0.000 2.384 186 V HA 0.629 4.749 4.120 0.000 0.000 0.287 186 V C 1.217 177.352 176.094 0.068 0.000 1.020 186 V CA 0.205 62.520 62.300 0.026 0.000 0.850 186 V CB 0.930 32.753 31.823 0.000 0.000 0.987 186 V HN 1.312 nan 8.190 nan 0.000 0.436 187 G N 3.096 111.941 108.800 0.075 0.000 2.269 187 G HA2 -0.208 3.752 3.960 0.000 0.000 0.277 187 G HA3 -0.208 3.752 3.960 0.000 0.000 0.277 187 G C 0.270 175.213 174.900 0.072 0.000 1.008 187 G CA 0.727 45.865 45.100 0.063 0.000 0.774 187 G HN 0.642 nan 8.290 nan 0.000 0.511 188 E N -0.665 119.603 120.200 0.113 0.000 3.232 188 E HA 0.455 4.805 4.350 0.000 0.000 0.248 188 E C 0.903 177.566 176.600 0.105 0.000 1.048 188 E CA -0.868 55.599 56.400 0.112 0.000 1.204 188 E CB 0.549 30.340 29.700 0.151 0.000 1.535 188 E HN 0.398 nan 8.360 nan 0.000 0.567 189 R N 0.103 120.663 120.500 0.101 0.000 2.390 189 R HA 0.208 4.548 4.340 0.000 0.000 0.291 189 R C 1.275 177.611 176.300 0.059 0.000 1.070 189 R CA 0.037 56.178 56.100 0.068 0.000 1.014 189 R CB 0.394 30.728 30.300 0.058 0.000 1.007 189 R HN 0.396 nan 8.270 nan 0.000 0.466 190 T N 2.264 116.831 114.554 0.020 0.000 2.746 190 T HA -0.186 4.164 4.350 0.000 0.000 0.267 190 T C 1.769 176.437 174.700 -0.053 0.000 1.039 190 T CA 1.596 63.674 62.100 -0.036 0.000 1.142 190 T CB -0.153 68.693 68.868 -0.037 0.000 0.866 190 T HN 0.628 nan 8.240 nan 0.000 0.444 191 R N 1.612 122.105 120.500 -0.012 0.000 2.139 191 R HA -0.134 4.206 4.340 0.000 0.000 0.243 191 R C 1.941 178.242 176.300 0.003 0.000 1.145 191 R CA 1.818 57.917 56.100 -0.002 0.000 0.976 191 R CB -0.297 30.012 30.300 0.015 0.000 0.866 191 R HN 0.439 nan 8.270 nan 0.000 0.449 192 E N -0.076 120.134 120.200 0.017 0.000 2.072 192 E HA -0.072 4.278 4.350 0.000 0.000 0.190 192 E C 2.037 178.633 176.600 -0.007 0.000 0.982 192 E CA 1.019 57.441 56.400 0.036 0.000 0.803 192 E CB -0.178 29.576 29.700 0.090 0.000 0.755 192 E HN 0.641 nan 8.360 nan 0.000 0.453 193 G N 1.212 109.959 108.800 -0.088 0.000 2.446 193 G HA2 -0.364 3.596 3.960 0.000 0.000 0.217 193 G HA3 -0.364 3.596 3.960 0.000 0.000 0.217 193 G C 1.409 176.174 174.900 -0.225 0.000 1.168 193 G CA 1.197 46.067 45.100 -0.383 0.000 0.771 193 G HN 0.230 nan 8.290 nan 0.000 0.551 194 N N 0.445 119.068 118.700 -0.129 0.000 2.188 194 N HA -0.097 4.643 4.740 0.000 0.000 0.184 194 N C 1.706 177.311 175.510 0.157 0.000 1.018 194 N CA 1.514 54.596 53.050 0.053 0.000 0.858 194 N CB -0.125 38.401 38.487 0.066 0.000 0.989 194 N HN 0.113 nan 8.380 nan 0.000 0.426 195 D N -0.057 120.384 120.400 0.069 0.000 2.144 195 D HA -0.137 4.503 4.640 0.000 0.000 0.199 195 D C 1.860 178.187 176.300 0.044 0.000 0.984 195 D CA 0.613 54.651 54.000 0.063 0.000 0.834 195 D CB -0.254 40.564 40.800 0.031 0.000 0.955 195 D HN 0.291 nan 8.370 nan 0.000 0.465 196 L N -0.204 121.015 121.223 -0.006 0.000 2.023 196 L HA -0.141 4.199 4.340 0.000 0.000 0.205 196 L C 2.269 179.129 176.870 -0.017 0.000 1.073 196 L CA 1.338 56.136 54.840 -0.069 0.000 0.745 196 L CB -0.793 41.142 42.059 -0.207 0.000 0.900 196 L HN -0.030 nan 8.230 nan 0.000 0.435 197 Y N 0.375 120.590 120.300 -0.143 0.000 2.053 197 Y HA -0.365 4.185 4.550 0.000 0.000 0.277 197 Y C 2.659 178.436 175.900 -0.205 0.000 1.159 197 Y CA 2.419 60.404 58.100 -0.191 0.000 1.125 197 Y CB -0.920 37.361 38.460 -0.298 0.000 0.969 197 Y HN 0.442 nan 8.280 nan 0.000 0.492 198 H N -0.737 118.256 119.070 -0.129 0.000 2.421 198 H HA -0.116 4.440 4.556 -0.000 0.000 0.298 198 H C 2.270 177.502 175.328 -0.161 0.000 1.087 198 H CA 1.582 57.500 56.048 -0.217 0.000 1.330 198 H CB -0.058 29.648 29.762 -0.092 0.000 1.388 198 H HN 0.520 nan 8.280 nan 0.000 0.526 199 E N 0.101 120.300 120.200 -0.003 0.000 2.107 199 E HA -0.182 4.168 4.350 0.000 0.000 0.191 199 E C 1.947 178.508 176.600 -0.065 0.000 0.982 199 E CA 0.728 57.110 56.400 -0.030 0.000 0.809 199 E CB 0.057 29.739 29.700 -0.030 0.000 0.756 199 E HN 0.299 nan 8.360 nan 0.000 0.459 200 M N 0.364 119.909 119.600 -0.092 0.000 2.175 200 M HA -0.071 4.409 4.480 0.000 0.000 0.264 200 M C 1.858 178.093 176.300 -0.110 0.000 1.063 200 M CA 1.167 56.415 55.300 -0.087 0.000 1.119 200 M CB -0.028 32.529 32.600 -0.071 0.000 1.377 200 M HN 0.157 nan 8.290 nan 0.000 0.415 201 I N -0.483 119.972 120.570 -0.193 0.000 2.142 201 I HA -0.325 3.845 4.170 0.000 0.000 0.240 201 I C 2.350 178.405 176.117 -0.103 0.000 1.078 201 I CA 1.683 62.867 61.300 -0.194 0.000 1.343 201 I CB -0.360 37.455 38.000 -0.308 0.000 1.046 201 I HN 0.371 nan 8.210 nan 0.000 0.405 202 E N 0.407 120.560 120.200 -0.080 0.000 2.097 202 E HA -0.265 4.085 4.350 0.000 0.000 0.196 202 E C 1.975 178.551 176.600 -0.039 0.000 1.000 202 E CA 1.766 58.137 56.400 -0.048 0.000 0.804 202 E CB 0.005 29.684 29.700 -0.035 0.000 0.740 202 E HN 0.514 nan 8.360 nan 0.000 0.454 203 S N -1.324 114.353 115.700 -0.039 0.000 2.593 203 S HA 0.177 4.647 4.470 0.000 0.000 0.217 203 S C 1.345 175.932 174.600 -0.023 0.000 0.966 203 S CA 0.406 58.590 58.200 -0.027 0.000 0.914 203 S CB 0.512 63.697 63.200 -0.026 0.000 0.776 203 S HN 0.473 nan 8.310 nan 0.000 0.523 204 G N 0.972 109.753 108.800 -0.032 0.000 2.160 204 G HA2 -0.324 3.636 3.960 0.000 0.000 0.251 204 G HA3 -0.324 3.636 3.960 0.000 0.000 0.251 204 G C 0.722 175.613 174.900 -0.015 0.000 1.008 204 G CA 0.576 45.661 45.100 -0.025 0.000 0.724 204 G HN 1.440 nan 8.290 nan 0.000 0.514 205 V N -2.590 117.315 119.914 -0.015 0.000 2.951 205 V HA 0.432 4.552 4.120 0.000 0.000 0.255 205 V C 1.105 177.204 176.094 0.008 0.000 1.088 205 V CA 0.766 63.071 62.300 0.009 0.000 1.109 205 V CB -0.030 31.807 31.823 0.023 0.000 0.724 205 V HN 0.344 nan 8.190 nan 0.000 0.471 206 I N 2.959 123.516 120.570 -0.021 0.000 2.362 206 I HA 0.514 4.684 4.170 0.000 0.000 0.289 206 I C -0.780 175.310 176.117 -0.044 0.000 0.994 206 I CA -0.054 61.230 61.300 -0.026 0.000 1.158 206 I CB 1.109 39.068 38.000 -0.069 0.000 1.315 206 I HN 0.287 nan 8.210 nan 0.000 0.451 207 N N 6.856 125.544 118.700 -0.021 0.000 2.442 207 N HA 0.361 5.101 4.740 0.000 0.000 0.274 207 N C -0.007 175.495 175.510 -0.013 0.000 1.002 207 N CA -0.443 52.594 53.050 -0.021 0.000 0.910 207 N CB 1.598 40.080 38.487 -0.008 0.000 1.244 207 N HN 0.479 nan 8.380 nan 0.000 0.492 208 L N 2.478 123.688 121.223 -0.022 0.000 2.591 208 L HA 0.213 4.553 4.340 0.000 0.000 0.228 208 L C 1.740 178.611 176.870 0.002 0.000 1.133 208 L CA 0.291 55.128 54.840 -0.005 0.000 0.880 208 L CB 0.030 42.083 42.059 -0.009 0.000 1.033 208 L HN 0.343 nan 8.230 nan 0.000 0.450 209 K N -0.452 119.947 120.400 -0.002 0.000 2.225 209 K HA 0.206 4.526 4.320 0.000 0.000 0.204 209 K C 0.218 176.821 176.600 0.005 0.000 1.047 209 K CA 0.567 56.855 56.287 0.001 0.000 0.970 209 K CB 0.357 32.856 32.500 -0.002 0.000 0.939 209 K HN 0.161 nan 8.250 nan 0.000 0.472 210 D N -0.065 120.338 120.400 0.005 0.000 2.494 210 D HA 0.323 4.963 4.640 0.000 0.000 0.259 210 D C -0.613 175.693 176.300 0.011 0.000 1.109 210 D CA -0.606 53.399 54.000 0.008 0.000 1.040 210 D CB 0.938 41.743 40.800 0.009 0.000 1.175 210 D HN -0.032 nan 8.370 nan 0.000 0.584 211 A N 0.165 122.993 122.820 0.014 0.000 3.095 211 A HA 0.433 4.753 4.320 0.000 0.000 0.301 211 A C 0.508 178.107 177.584 0.025 0.000 1.432 211 A CA -0.372 51.675 52.037 0.018 0.000 1.140 211 A CB -0.747 18.265 19.000 0.020 0.000 1.174 211 A HN 0.506 nan 8.150 nan 0.000 0.546 212 T N -3.134 111.434 114.554 0.022 0.000 3.192 212 T HA 0.208 4.558 4.350 0.000 0.000 0.295 212 T C 0.396 175.117 174.700 0.035 0.000 0.947 212 T CA 0.101 62.219 62.100 0.031 0.000 0.916 212 T CB -0.241 68.639 68.868 0.020 0.000 1.169 212 T HN 0.244 nan 8.240 nan 0.000 0.540 213 S N 1.886 117.600 115.700 0.024 0.000 2.562 213 S HA 0.331 4.801 4.470 0.000 0.000 0.281 213 S C 0.692 175.314 174.600 0.037 0.000 1.333 213 S CA -0.444 57.770 58.200 0.024 0.000 1.052 213 S CB 1.202 64.411 63.200 0.015 0.000 0.884 213 S HN 0.360 nan 8.310 nan 0.000 0.506 214 K N 1.089 121.529 120.400 0.066 0.000 2.387 214 K HA 0.272 4.592 4.320 0.000 0.000 0.203 214 K C -0.900 175.764 176.600 0.108 0.000 1.030 214 K CA 0.094 56.460 56.287 0.133 0.000 1.099 214 K CB 0.708 33.302 32.500 0.157 0.000 0.863 214 K HN 0.372 nan 8.250 nan 0.000 0.529 215 V N 0.877 120.830 119.914 0.065 0.000 2.588 215 V HA 0.634 4.754 4.120 0.000 0.000 0.304 215 V C -0.720 175.427 176.094 0.089 0.000 1.042 215 V CA -1.375 60.983 62.300 0.096 0.000 0.877 215 V CB 1.645 33.536 31.823 0.113 0.000 0.996 215 V HN 0.060 nan 8.190 nan 0.000 0.425 216 A N 5.465 128.357 122.820 0.120 0.000 2.317 216 A HA 0.918 5.238 4.320 0.000 0.000 0.327 216 A C -0.829 176.842 177.584 0.145 0.000 1.178 216 A CA -0.544 51.568 52.037 0.125 0.000 0.817 216 A CB 0.819 19.913 19.000 0.157 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.681 123.987 121.223 0.138 0.000 2.322 217 L HA 0.656 4.996 4.340 0.000 0.000 0.281 217 L C -0.898 176.036 176.870 0.107 0.000 1.014 217 L CA -0.915 54.022 54.840 0.162 0.000 0.815 217 L CB 1.777 43.996 42.059 0.267 0.000 1.247 217 L HN 0.414 nan 8.230 nan 0.000 0.421 218 V N 2.735 122.641 119.914 -0.013 0.000 2.656 218 V HA 0.528 4.648 4.120 0.000 0.000 0.307 218 V C -1.257 174.731 176.094 -0.177 0.000 1.051 218 V CA -0.674 61.611 62.300 -0.025 0.000 0.893 218 V CB 2.064 33.859 31.823 -0.046 0.000 0.999 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.076 121.402 120.300 0.042 0.000 2.504 219 Y HA 0.741 5.291 4.550 -0.000 0.000 0.344 219 Y C 0.448 176.364 175.900 0.028 0.000 1.023 219 Y CA -0.637 57.493 58.100 0.050 0.000 1.020 219 Y CB 2.892 41.372 38.460 0.034 0.000 1.282 219 Y HN 0.717 nan 8.280 nan 0.000 0.454 220 G N 3.232 112.149 108.800 0.194 0.000 3.582 220 G HA2 0.277 4.237 3.960 0.000 0.000 0.302 220 G HA3 0.277 4.237 3.960 0.000 0.000 0.302 220 G C -1.032 173.940 174.900 0.120 0.000 1.418 220 G CA -0.580 44.591 45.100 0.117 0.000 0.718 220 G HN 0.277 nan 8.290 nan 0.000 0.479 221 Q N 0.752 120.635 119.800 0.138 0.000 2.397 221 Q HA 0.300 4.640 4.340 0.000 0.000 0.193 221 Q C 1.903 177.942 176.000 0.066 0.000 1.083 221 Q CA -0.675 55.198 55.803 0.117 0.000 1.108 221 Q CB 0.648 29.457 28.738 0.118 0.000 1.172 221 Q HN 0.474 nan 8.270 nan 0.000 0.617 222 M N 0.849 120.482 119.600 0.055 0.000 2.426 222 M HA -0.224 4.256 4.480 0.000 0.000 0.261 222 M C 1.185 177.497 176.300 0.021 0.000 1.068 222 M CA 1.631 56.950 55.300 0.031 0.000 1.066 222 M CB -0.442 32.173 32.600 0.025 0.000 1.399 222 M HN 0.598 nan 8.290 nan 0.000 0.449 223 N N -1.069 117.645 118.700 0.023 0.000 2.299 223 N HA 0.031 4.771 4.740 0.000 0.000 0.187 223 N C -0.133 175.385 175.510 0.014 0.000 1.099 223 N CA -0.236 52.823 53.050 0.015 0.000 0.867 223 N CB 0.224 38.718 38.487 0.011 0.000 0.974 223 N HN 0.151 nan 8.380 nan 0.000 0.477 224 E N 1.817 122.029 120.200 0.020 0.000 2.349 224 E HA 0.256 4.606 4.350 0.000 0.000 0.262 224 E C -2.247 174.358 176.600 0.009 0.000 1.088 224 E CA -1.989 54.421 56.400 0.017 0.000 0.899 224 E CB 0.322 30.038 29.700 0.026 0.000 1.044 224 E HN 0.143 nan 8.360 nan 0.000 0.420 225 P HA 0.056 nan 4.420 nan 0.000 0.272 225 P C -1.891 175.406 177.300 -0.005 0.000 1.230 225 P CA -1.122 61.977 63.100 -0.000 0.000 0.788 225 P CB -0.091 31.610 31.700 0.001 0.000 0.949 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.609 178.891 177.300 -0.029 0.000 1.162 226 P CA 2.367 65.449 63.100 -0.030 0.000 0.901 226 P CB -0.802 30.874 31.700 -0.039 0.000 0.793 227 G N 0.050 108.840 108.800 -0.017 0.000 2.469 227 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 227 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 227 G C 1.819 176.723 174.900 0.007 0.000 1.136 227 G CA 1.275 46.371 45.100 -0.007 0.000 0.759 227 G HN 0.439 nan 8.290 nan 0.000 0.562 228 A N 0.463 123.290 122.820 0.011 0.000 1.898 228 A HA 0.083 4.403 4.320 0.000 0.000 0.216 228 A C 2.410 180.010 177.584 0.027 0.000 1.181 228 A CA 1.511 53.561 52.037 0.022 0.000 0.620 228 A CB -0.346 18.669 19.000 0.024 0.000 0.819 228 A HN 0.329 nan 8.150 nan 0.000 0.442 229 R N -0.681 119.829 120.500 0.016 0.000 2.148 229 R HA 0.003 4.343 4.340 0.000 0.000 0.227 229 R C 2.233 178.552 176.300 0.031 0.000 1.103 229 R CA 0.960 57.073 56.100 0.022 0.000 0.983 229 R CB -0.280 30.020 30.300 0.000 0.000 0.874 229 R HN 0.508 nan 8.270 nan 0.000 0.451 230 A N 0.419 123.234 122.820 -0.009 0.000 2.066 230 A HA -0.048 4.272 4.320 0.000 0.000 0.218 230 A C 1.741 179.388 177.584 0.105 0.000 1.157 230 A CA 0.895 52.903 52.037 -0.048 0.000 0.670 230 A CB 0.065 18.996 19.000 -0.115 0.000 0.804 230 A HN 0.100 nan 8.150 nan 0.000 0.453 231 R N -0.854 119.697 120.500 0.086 0.000 2.316 231 R HA 0.073 4.413 4.340 0.000 0.000 0.201 231 R C 1.835 178.155 176.300 0.034 0.000 0.888 231 R CA 1.153 57.296 56.100 0.072 0.000 1.041 231 R CB -0.576 29.747 30.300 0.038 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.489 120.423 119.914 0.033 0.000 2.453 232 V HA -0.224 3.896 4.120 0.000 0.000 0.252 232 V C 2.527 178.596 176.094 -0.040 0.000 1.068 232 V CA 1.989 64.289 62.300 -0.000 0.000 1.070 232 V CB -1.304 30.523 31.823 0.006 0.000 0.664 232 V HN 0.175 nan 8.190 nan 0.000 0.461 233 A N 0.929 123.729 122.820 -0.033 0.000 1.865 233 A HA -0.110 4.210 4.320 0.000 0.000 0.217 233 A C 2.269 179.760 177.584 -0.155 0.000 1.191 233 A CA 2.160 54.119 52.037 -0.131 0.000 0.623 233 A CB -0.659 18.211 19.000 -0.218 0.000 0.826 233 A HN 0.526 nan 8.150 nan 0.000 0.444 234 L N -0.613 120.530 121.223 -0.133 0.000 2.043 234 L HA -0.228 4.112 4.340 0.000 0.000 0.212 234 L C 2.792 179.580 176.870 -0.136 0.000 1.075 234 L CA 2.036 56.779 54.840 -0.162 0.000 0.752 234 L CB -1.315 40.619 42.059 -0.209 0.000 0.891 234 L HN 0.395 nan 8.230 nan 0.000 0.432 235 T N -0.363 114.130 114.554 -0.102 0.000 2.708 235 T HA -0.114 4.236 4.350 0.000 0.000 0.266 235 T C 1.830 176.484 174.700 -0.077 0.000 1.037 235 T CA 1.368 63.421 62.100 -0.078 0.000 1.146 235 T CB -0.534 68.306 68.868 -0.046 0.000 0.865 235 T HN 0.564 nan 8.240 nan 0.000 0.435 236 G N 1.542 110.289 108.800 -0.088 0.000 2.418 236 G HA2 -0.139 3.821 3.960 0.000 0.000 0.217 236 G HA3 -0.139 3.821 3.960 0.000 0.000 0.217 236 G C 1.528 176.379 174.900 -0.081 0.000 1.158 236 G CA 0.715 45.765 45.100 -0.084 0.000 0.771 236 G HN 0.385 nan 8.290 nan 0.000 0.545 237 L N 1.269 122.426 121.223 -0.109 0.000 1.990 237 L HA -0.080 4.261 4.340 0.000 0.000 0.213 237 L C 2.865 179.688 176.870 -0.079 0.000 1.072 237 L CA 2.770 57.545 54.840 -0.109 0.000 0.755 237 L CB -1.244 40.728 42.059 -0.144 0.000 0.889 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.884 113.621 114.554 -0.082 0.000 2.684 238 T HA -0.196 4.155 4.350 0.000 0.000 0.267 238 T C 2.015 176.672 174.700 -0.071 0.000 1.036 238 T CA 1.746 63.805 62.100 -0.069 0.000 1.148 238 T CB -0.541 68.284 68.868 -0.071 0.000 0.863 238 T HN 0.226 nan 8.240 nan 0.000 0.436 239 V N 1.752 121.617 119.914 -0.082 0.000 2.282 239 V HA -0.261 3.859 4.120 0.000 0.000 0.249 239 V C 2.880 178.920 176.094 -0.090 0.000 1.057 239 V CA 1.955 64.184 62.300 -0.119 0.000 1.032 239 V CB -1.277 30.514 31.823 -0.053 0.000 0.645 239 V HN 0.572 nan 8.190 nan 0.000 0.447 240 A N -0.461 122.375 122.820 0.025 0.000 1.883 240 A HA -0.274 4.046 4.320 0.000 0.000 0.217 240 A C 2.134 179.759 177.584 0.069 0.000 1.186 240 A CA 2.018 54.128 52.037 0.120 0.000 0.624 240 A CB -0.579 18.460 19.000 0.064 0.000 0.822 240 A HN 0.659 nan 8.150 nan 0.000 0.444 241 E N -1.596 118.605 120.200 0.002 0.000 2.097 241 E HA -0.270 4.080 4.350 0.000 0.000 0.196 241 E C 1.847 178.434 176.600 -0.022 0.000 1.000 241 E CA 1.608 58.002 56.400 -0.010 0.000 0.804 241 E CB -0.413 29.274 29.700 -0.023 0.000 0.740 241 E HN 0.797 nan 8.360 nan 0.000 0.454 242 Y N 0.795 120.979 120.300 -0.193 0.000 2.081 242 Y HA -0.302 4.248 4.550 0.000 0.000 0.280 242 Y C 1.908 177.699 175.900 -0.182 0.000 1.163 242 Y CA 1.794 59.734 58.100 -0.265 0.000 1.135 242 Y CB -0.395 37.772 38.460 -0.489 0.000 0.970 242 Y HN -0.061 nan 8.280 nan 0.000 0.498 243 F N 0.139 120.130 119.950 0.069 0.000 2.171 243 F HA -0.137 4.390 4.527 0.000 0.000 0.300 243 F C 2.725 178.496 175.800 -0.049 0.000 1.090 243 F CA 1.756 59.778 58.000 0.036 0.000 1.293 243 F CB -0.979 38.184 39.000 0.271 0.000 1.013 243 F HN -0.007 nan 8.300 nan 0.000 0.486 244 R N 0.505 121.075 120.500 0.118 0.000 2.070 244 R HA -0.158 4.182 4.340 0.000 0.000 0.232 244 R C 1.665 177.946 176.300 -0.032 0.000 1.138 244 R CA 2.209 58.334 56.100 0.042 0.000 0.936 244 R CB -0.344 29.970 30.300 0.023 0.000 0.839 244 R HN 0.156 nan 8.270 nan 0.000 0.429 245 D N -0.304 120.047 120.400 -0.081 0.000 2.216 245 D HA -0.061 4.579 4.640 0.000 0.000 0.208 245 D C 1.838 178.045 176.300 -0.154 0.000 0.960 245 D CA 0.711 54.653 54.000 -0.096 0.000 0.861 245 D CB 0.010 40.766 40.800 -0.073 0.000 0.985 245 D HN 0.247 nan 8.370 nan 0.000 0.493 246 Q N 0.326 119.940 119.800 -0.309 0.000 2.451 246 Q HA 0.058 4.398 4.340 0.000 0.000 0.206 246 Q C 0.557 176.364 176.000 -0.322 0.000 0.947 246 Q CA 0.598 56.161 55.803 -0.401 0.000 0.937 246 Q CB 0.538 28.759 28.738 -0.863 0.000 1.025 246 Q HN 0.499 nan 8.270 nan 0.000 0.511 247 E N -0.969 119.098 120.200 -0.221 0.000 2.743 247 E HA 0.184 4.534 4.350 0.000 0.000 0.222 247 E C 0.342 176.927 176.600 -0.025 0.000 0.959 247 E CA 0.118 56.479 56.400 -0.066 0.000 1.198 247 E CB 1.048 30.781 29.700 0.055 0.000 1.100 247 E HN 0.282 nan 8.360 nan 0.000 0.518 248 G N 2.367 111.142 108.800 -0.042 0.000 2.337 248 G HA2 -0.313 3.647 3.960 0.000 0.000 0.290 248 G HA3 -0.313 3.647 3.960 0.000 0.000 0.290 248 G C 0.352 175.243 174.900 -0.015 0.000 1.003 248 G CA 0.652 45.736 45.100 -0.027 0.000 0.825 248 G HN 0.127 nan 8.290 nan 0.000 0.509 249 Q N -0.077 119.731 119.800 0.013 0.000 2.354 249 Q HA 0.275 4.615 4.340 0.000 0.000 0.244 249 Q C -0.314 175.696 176.000 0.017 0.000 0.969 249 Q CA -0.058 55.744 55.803 -0.003 0.000 0.885 249 Q CB 0.743 29.522 28.738 0.069 0.000 1.241 249 Q HN 0.317 nan 8.270 nan 0.000 0.461 250 D N 1.107 121.497 120.400 -0.017 0.000 2.347 250 D HA 0.260 4.900 4.640 0.000 0.000 0.235 250 D C -0.611 175.784 176.300 0.159 0.000 1.149 250 D CA -0.105 53.930 54.000 0.058 0.000 0.850 250 D CB 0.861 41.699 40.800 0.064 0.000 1.061 250 D HN 0.063 nan 8.370 nan 0.000 0.487 251 V N 2.803 122.790 119.914 0.123 0.000 2.837 251 V HA 0.487 4.607 4.120 0.000 0.000 0.310 251 V C 0.295 176.363 176.094 -0.043 0.000 1.059 251 V CA -0.900 61.471 62.300 0.120 0.000 1.004 251 V CB 1.709 33.617 31.823 0.141 0.000 1.045 251 V HN 0.357 nan 8.190 nan 0.000 0.465 252 L N 3.273 124.431 121.223 -0.109 0.000 2.381 252 L HA 0.593 4.933 4.340 0.000 0.000 0.274 252 L C -1.299 175.436 176.870 -0.225 0.000 0.988 252 L CA -0.548 54.118 54.840 -0.290 0.000 0.824 252 L CB 1.852 43.715 42.059 -0.326 0.000 1.263 252 L HN 0.500 nan 8.230 nan 0.000 0.410 253 L N 4.064 125.040 121.223 -0.412 0.000 2.372 253 L HA 0.579 4.919 4.340 0.000 0.000 0.273 253 L C -1.507 175.061 176.870 -0.503 0.000 0.989 253 L CA 0.132 54.792 54.840 -0.301 0.000 0.841 253 L CB 1.189 43.122 42.059 -0.210 0.000 1.225 253 L HN 0.204 nan 8.230 nan 0.000 0.414 254 F N 5.770 125.604 119.950 -0.195 0.000 2.436 254 F HA 0.660 5.187 4.527 -0.000 0.000 0.340 254 F C 0.053 175.486 175.800 -0.612 0.000 1.113 254 F CA -0.448 57.365 58.000 -0.313 0.000 1.022 254 F CB 1.527 40.423 39.000 -0.174 0.000 1.128 254 F HN 0.231 nan 8.300 nan 0.000 0.466 255 I N 2.586 122.937 120.570 -0.365 0.000 2.533 255 I HA 0.319 4.489 4.170 0.000 0.000 0.290 255 I C -1.456 174.471 176.117 -0.316 0.000 1.056 255 I CA -0.638 60.403 61.300 -0.433 0.000 1.057 255 I CB 2.211 40.037 38.000 -0.291 0.000 1.240 255 I HN 0.404 nan 8.210 nan 0.000 0.423 256 D N 5.818 126.039 120.400 -0.298 0.000 2.575 256 D HA 0.293 4.933 4.640 0.000 0.000 0.250 256 D C -1.400 174.904 176.300 0.008 0.000 1.279 256 D CA -0.230 53.743 54.000 -0.044 0.000 0.925 256 D CB 1.431 42.302 40.800 0.118 0.000 1.261 256 D HN 0.459 nan 8.370 nan 0.000 0.567 257 N N 3.943 122.666 118.700 0.038 0.000 2.258 257 N HA 0.230 4.970 4.740 0.000 0.000 0.299 257 N C 0.414 175.959 175.510 0.058 0.000 1.047 257 N CA -0.466 52.623 53.050 0.064 0.000 0.814 257 N CB 1.883 40.465 38.487 0.158 0.000 1.413 257 N HN 0.342 nan 8.380 nan 0.000 0.478 258 I N 3.364 123.941 120.570 0.013 0.000 3.291 258 I HA -0.021 4.149 4.170 0.000 0.000 0.279 258 I C 1.556 177.739 176.117 0.111 0.000 1.294 258 I CA 0.438 61.734 61.300 -0.007 0.000 1.428 258 I CB -0.266 37.652 38.000 -0.136 0.000 1.070 258 I HN 0.572 nan 8.210 nan 0.000 0.478 259 F N 1.031 121.008 119.950 0.046 0.000 2.234 259 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 259 F C 2.271 178.160 175.800 0.148 0.000 1.087 259 F CA 1.253 59.321 58.000 0.114 0.000 1.340 259 F CB -0.269 38.831 39.000 0.167 0.000 1.031 259 F HN -0.074 nan 8.300 nan 0.000 0.500 260 R N 0.229 120.737 120.500 0.014 0.000 2.127 260 R HA -0.210 4.130 4.340 0.000 0.000 0.238 260 R C 2.205 178.448 176.300 -0.095 0.000 1.134 260 R CA 1.584 57.631 56.100 -0.089 0.000 0.975 260 R CB -1.821 28.507 30.300 0.047 0.000 0.865 260 R HN 0.524 nan 8.270 nan 0.000 0.447 261 F N 1.746 121.602 119.950 -0.156 0.000 2.134 261 F HA -0.174 4.353 4.527 0.001 0.000 0.299 261 F C 1.930 177.645 175.800 -0.142 0.000 1.097 261 F CA 1.683 59.608 58.000 -0.126 0.000 1.264 261 F CB -0.411 38.524 39.000 -0.108 0.000 1.001 261 F HN -0.128 nan 8.300 nan 0.000 0.479 262 T N 0.327 114.752 114.554 -0.215 0.000 2.737 262 T HA -0.234 4.116 4.350 0.000 0.000 0.265 262 T C 1.876 176.406 174.700 -0.283 0.000 1.038 262 T CA 1.537 63.460 62.100 -0.296 0.000 1.144 262 T CB -0.437 68.374 68.868 -0.095 0.000 0.866 262 T HN 0.488 nan 8.240 nan 0.000 0.434 263 Q N 0.945 120.494 119.800 -0.419 0.000 2.061 263 Q HA -0.149 4.191 4.340 0.000 0.000 0.204 263 Q C 2.475 178.352 176.000 -0.204 0.000 0.984 263 Q CA 1.700 57.310 55.803 -0.321 0.000 0.846 263 Q CB -0.379 28.087 28.738 -0.453 0.000 0.902 263 Q HN 0.513 nan 8.270 nan 0.000 0.421 264 A N 0.575 123.261 122.820 -0.223 0.000 1.917 264 A HA -0.174 4.146 4.320 0.000 0.000 0.219 264 A C 2.301 179.773 177.584 -0.186 0.000 1.182 264 A CA 1.825 53.758 52.037 -0.173 0.000 0.633 264 A CB -1.501 17.403 19.000 -0.160 0.000 0.819 264 A HN 0.645 nan 8.150 nan 0.000 0.448 265 G N -0.234 108.399 108.800 -0.277 0.000 2.422 265 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 265 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 265 G C 1.958 176.790 174.900 -0.114 0.000 1.146 265 G CA 1.817 46.778 45.100 -0.233 0.000 0.769 265 G HN 0.947 nan 8.290 nan 0.000 0.547 266 S N 0.286 115.938 115.700 -0.079 0.000 2.447 266 S HA -0.006 4.464 4.470 0.000 0.000 0.233 266 S C 1.936 176.495 174.600 -0.068 0.000 1.006 266 S CA 1.494 59.670 58.200 -0.041 0.000 0.957 266 S CB -0.196 62.967 63.200 -0.062 0.000 0.773 266 S HN 0.578 nan 8.310 nan 0.000 0.507 267 E N 0.886 121.038 120.200 -0.080 0.000 2.072 267 E HA -0.078 4.272 4.350 0.000 0.000 0.191 267 E C 2.322 178.892 176.600 -0.049 0.000 0.985 267 E CA 1.476 57.838 56.400 -0.063 0.000 0.801 267 E CB -0.271 29.393 29.700 -0.061 0.000 0.750 267 E HN 0.651 nan 8.360 nan 0.000 0.452 268 V N -1.540 118.343 119.914 -0.053 0.000 2.788 268 V HA -0.061 4.060 4.120 0.000 0.000 0.251 268 V C 2.224 178.300 176.094 -0.030 0.000 1.068 268 V CA 1.433 63.711 62.300 -0.038 0.000 1.090 268 V CB 0.237 32.036 31.823 -0.040 0.000 0.710 268 V HN 0.123 nan 8.190 nan 0.000 0.467 269 S N 1.327 117.007 115.700 -0.033 0.000 2.381 269 S HA -0.287 4.183 4.470 0.000 0.000 0.230 269 S C 2.156 176.749 174.600 -0.012 0.000 1.052 269 S CA 2.534 60.722 58.200 -0.020 0.000 1.068 269 S CB -0.712 62.481 63.200 -0.011 0.000 0.918 269 S HN 1.107 nan 8.310 nan 0.000 0.448 270 A N 1.458 124.269 122.820 -0.015 0.000 1.877 270 A HA 0.060 4.380 4.320 0.000 0.000 0.216 270 A C 2.234 179.813 177.584 -0.007 0.000 1.186 270 A CA 1.499 53.530 52.037 -0.009 0.000 0.620 270 A CB -0.846 18.146 19.000 -0.012 0.000 0.822 270 A HN 0.591 nan 8.150 nan 0.000 0.443 271 L N -0.618 120.599 121.223 -0.010 0.000 2.081 271 L HA -0.209 4.131 4.340 0.000 0.000 0.212 271 L C 2.185 179.054 176.870 -0.003 0.000 1.080 271 L CA 1.150 55.986 54.840 -0.007 0.000 0.754 271 L CB -0.749 41.305 42.059 -0.009 0.000 0.893 271 L HN 0.366 nan 8.230 nan 0.000 0.433 272 L N 0.016 121.236 121.223 -0.004 0.000 2.622 272 L HA 0.019 4.359 4.340 0.000 0.000 0.233 272 L C 1.343 178.215 176.870 0.003 0.000 1.156 272 L CA 0.595 55.435 54.840 -0.000 0.000 0.866 272 L CB -0.709 41.348 42.059 -0.003 0.000 0.980 272 L HN 0.514 nan 8.230 nan 0.000 0.448 273 G N 0.724 109.525 108.800 0.002 0.000 2.171 273 G HA2 -0.263 3.697 3.960 0.000 0.000 0.238 273 G HA3 -0.263 3.697 3.960 0.000 0.000 0.238 273 G C 0.070 174.973 174.900 0.005 0.000 1.039 273 G CA -0.326 44.776 45.100 0.004 0.000 0.759 273 G HN 0.400 nan 8.290 nan 0.000 0.501 274 R N -0.625 119.877 120.500 0.004 0.000 2.474 274 R HA 0.629 4.969 4.340 0.000 0.000 0.295 274 R C 0.927 177.233 176.300 0.010 0.000 0.980 274 R CA -0.953 55.152 56.100 0.007 0.000 0.934 274 R CB 1.332 31.637 30.300 0.008 0.000 1.101 274 R HN 0.289 nan 8.270 nan 0.000 0.469 275 I N 4.781 125.359 120.570 0.012 0.000 2.618 275 I HA 0.051 4.221 4.170 0.000 0.000 0.284 275 I C -1.580 174.550 176.117 0.021 0.000 1.146 275 I CA -1.508 59.801 61.300 0.015 0.000 1.425 275 I CB 0.306 38.316 38.000 0.015 0.000 1.383 275 I HN 0.311 nan 8.210 nan 0.000 0.562 276 P HA 0.117 nan 4.420 nan 0.000 0.274 276 P C -0.363 176.966 177.300 0.047 0.000 1.237 276 P CA -0.294 62.827 63.100 0.035 0.000 0.793 276 P CB 1.351 33.066 31.700 0.025 0.000 0.977 277 S N 0.269 116.012 115.700 0.072 0.000 2.448 277 S HA 0.620 5.090 4.470 0.000 0.000 0.271 277 S C 0.002 174.660 174.600 0.096 0.000 1.145 277 S CA -0.423 57.824 58.200 0.078 0.000 1.022 277 S CB -0.061 63.193 63.200 0.089 0.000 1.202 277 S HN 0.606 nan 8.310 nan 0.000 0.479 278 A N 0.208 123.094 122.820 0.110 0.000 2.462 278 A HA 0.473 4.793 4.320 0.000 0.000 0.243 278 A C 0.762 178.457 177.584 0.185 0.000 1.076 278 A CA 0.246 52.356 52.037 0.120 0.000 0.773 278 A CB -0.541 18.525 19.000 0.109 0.000 1.010 278 A HN 1.586 nan 8.150 nan 0.000 0.493 279 V N 0.890 120.882 119.914 0.131 0.000 4.591 279 V HA -0.285 3.835 4.120 0.000 0.000 0.261 279 V C 1.682 177.772 176.094 -0.005 0.000 0.425 279 V CA 1.384 63.747 62.300 0.105 0.000 0.826 279 V CB -2.561 29.389 31.823 0.211 0.000 0.812 279 V HN 2.922 nan 8.190 nan 0.000 1.340 280 G N -2.457 106.351 108.800 0.013 0.000 2.184 280 G HA2 -0.361 3.599 3.960 0.000 0.000 0.264 280 G HA3 -0.361 3.599 3.960 0.000 0.000 0.264 280 G C -0.087 174.787 174.900 -0.044 0.000 0.975 280 G CA 0.591 45.667 45.100 -0.040 0.000 0.642 280 G HN 0.960 nan 8.290 nan 0.000 0.536 281 Y N 1.535 121.850 120.300 0.025 0.000 2.299 281 Y HA 0.400 4.950 4.550 0.001 0.000 0.335 281 Y C 1.543 177.445 175.900 0.003 0.000 1.287 281 Y CA 0.055 58.163 58.100 0.013 0.000 1.424 281 Y CB 0.451 38.928 38.460 0.027 0.000 1.326 281 Y HN 0.449 nan 8.280 nan 0.000 0.567 282 Q N 3.467 123.383 119.800 0.194 0.000 2.364 282 Q HA 0.084 4.425 4.340 0.000 0.000 0.267 282 Q C -2.090 173.958 176.000 0.080 0.000 0.999 282 Q CA -1.642 54.216 55.803 0.091 0.000 0.886 282 Q CB 0.647 29.418 28.738 0.054 0.000 1.243 282 Q HN 0.399 nan 8.270 nan 0.000 0.415 283 P HA -0.144 nan 4.420 nan 0.000 0.225 283 P C 0.950 178.269 177.300 0.032 0.000 1.148 283 P CA 1.330 64.455 63.100 0.042 0.000 0.779 283 P CB 0.024 31.743 31.700 0.031 0.000 0.780 284 T N -4.173 110.396 114.554 0.026 0.000 3.163 284 T HA 0.146 4.496 4.350 0.000 0.000 0.252 284 T C 1.563 176.276 174.700 0.022 0.000 1.056 284 T CA -0.364 61.749 62.100 0.021 0.000 0.947 284 T CB -0.942 67.934 68.868 0.013 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.214 122.447 121.223 0.016 0.000 1.978 285 L HA -0.136 4.204 4.340 0.000 0.000 0.218 285 L C 2.879 179.767 176.870 0.030 0.000 1.075 285 L CA 2.255 57.093 54.840 -0.003 0.000 0.767 285 L CB -0.825 41.196 42.059 -0.064 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.434 286 A N -0.797 122.046 122.820 0.038 0.000 1.877 286 A HA -0.248 4.072 4.320 0.000 0.000 0.216 286 A C 2.346 179.987 177.584 0.094 0.000 1.186 286 A CA 2.507 54.589 52.037 0.075 0.000 0.620 286 A CB -1.319 17.718 19.000 0.062 0.000 0.822 286 A HN 0.677 nan 8.150 nan 0.000 0.443 287 T N -1.921 112.676 114.554 0.071 0.000 2.788 287 T HA -0.161 4.189 4.350 0.000 0.000 0.268 287 T C 1.341 176.095 174.700 0.090 0.000 1.044 287 T CA 1.591 63.734 62.100 0.072 0.000 1.139 287 T CB -0.565 68.333 68.868 0.050 0.000 0.867 287 T HN 0.373 nan 8.240 nan 0.000 0.454 288 D N 0.864 121.324 120.400 0.099 0.000 2.117 288 D HA -0.032 4.608 4.640 0.000 0.000 0.197 288 D C 1.993 178.445 176.300 0.254 0.000 0.987 288 D CA 1.032 55.131 54.000 0.164 0.000 0.829 288 D CB -0.441 40.426 40.800 0.112 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 M N 0.424 120.144 119.600 0.199 0.000 2.099 289 M HA -0.063 4.417 4.480 0.000 0.000 0.262 289 M C 2.055 178.312 176.300 -0.072 0.000 1.067 289 M CA 1.966 57.322 55.300 0.093 0.000 1.124 289 M CB -0.247 32.396 32.600 0.072 0.000 1.353 289 M HN 0.047 nan 8.290 nan 0.000 0.410 290 G N -0.424 108.408 108.800 0.054 0.000 2.480 290 G HA2 -0.290 3.670 3.960 0.000 0.000 0.216 290 G HA3 -0.290 3.670 3.960 0.000 0.000 0.216 290 G C 1.360 176.280 174.900 0.033 0.000 1.200 290 G CA 1.683 46.839 45.100 0.093 0.000 0.782 290 G HN 0.591 nan 8.290 nan 0.000 0.554 291 T N -1.561 113.018 114.554 0.043 0.000 3.051 291 T HA 0.074 4.424 4.350 0.000 0.000 0.269 291 T C 2.064 176.756 174.700 -0.013 0.000 1.127 291 T CA 1.356 63.474 62.100 0.031 0.000 1.107 291 T CB 0.025 68.927 68.868 0.057 0.000 0.898 291 T HN 0.254 nan 8.240 nan 0.000 0.517 292 M N 0.000 119.559 119.600 -0.069 0.000 2.398 292 M HA 0.073 4.553 4.480 0.000 0.000 0.261 292 M C 2.229 178.383 176.300 -0.242 0.000 1.125 292 M CA 0.886 56.076 55.300 -0.183 0.000 1.183 292 M CB -0.158 32.230 32.600 -0.354 0.000 1.322 292 M HN 0.050 nan 8.290 nan 0.000 0.467 293 Q N 0.944 120.556 119.800 -0.312 0.000 2.135 293 Q HA -0.164 4.177 4.340 0.000 0.000 0.204 293 Q C 1.585 177.484 176.000 -0.168 0.000 0.981 293 Q CA 1.359 56.950 55.803 -0.353 0.000 0.856 293 Q CB -0.446 27.843 28.738 -0.748 0.000 0.902 293 Q HN 0.589 nan 8.270 nan 0.000 0.425 294 E N 0.184 120.338 120.200 -0.077 0.000 2.472 294 E HA -0.115 4.235 4.350 0.000 0.000 0.200 294 E C 1.500 178.082 176.600 -0.030 0.000 1.046 294 E CA 0.418 56.813 56.400 -0.008 0.000 0.871 294 E CB 0.039 29.761 29.700 0.036 0.000 0.806 294 E HN 0.335 nan 8.360 nan 0.000 0.533 295 R N -0.084 120.377 120.500 -0.065 0.000 2.265 295 R HA 0.235 4.576 4.340 0.000 0.000 0.194 295 R C 0.912 177.166 176.300 -0.077 0.000 0.931 295 R CA 0.013 56.077 56.100 -0.061 0.000 1.032 295 R CB 0.478 30.739 30.300 -0.066 0.000 0.980 295 R HN 0.027 nan 8.270 nan 0.000 0.497 296 I N 1.905 122.412 120.570 -0.104 0.000 2.243 296 I HA 0.073 4.243 4.170 0.000 0.000 0.297 296 I C -0.068 175.997 176.117 -0.087 0.000 1.161 296 I CA 0.240 61.471 61.300 -0.114 0.000 1.298 296 I CB 0.548 38.453 38.000 -0.159 0.000 1.475 296 I HN -0.063 nan 8.210 nan 0.000 0.561 297 T N 2.613 117.127 114.554 -0.067 0.000 2.886 297 T HA 0.265 4.615 4.350 0.000 0.000 0.330 297 T C -0.308 174.363 174.700 -0.048 0.000 1.488 297 T CA -0.355 61.713 62.100 -0.054 0.000 1.054 297 T CB 1.638 70.484 68.868 -0.038 0.000 1.348 297 T HN 0.270 nan 8.240 nan 0.000 0.489 298 T N 3.068 117.594 114.554 -0.047 0.000 2.899 298 T HA 0.649 4.999 4.350 0.000 0.000 0.295 298 T C 0.374 175.049 174.700 -0.042 0.000 1.033 298 T CA -0.005 62.071 62.100 -0.041 0.000 1.084 298 T CB 0.832 69.676 68.868 -0.040 0.000 0.979 298 T HN 0.957 nan 8.240 nan 0.000 0.532 299 T N -0.821 113.710 114.554 -0.038 0.000 2.647 299 T HA 0.457 4.807 4.350 0.000 0.000 0.295 299 T C 0.759 175.435 174.700 -0.041 0.000 1.126 299 T CA -0.993 61.081 62.100 -0.044 0.000 1.040 299 T CB 1.315 70.160 68.868 -0.039 0.000 1.472 299 T HN 0.351 nan 8.240 nan 0.000 0.500 300 K N -0.007 120.367 120.400 -0.043 0.000 2.288 300 K HA 0.097 4.417 4.320 0.000 0.000 0.201 300 K C 2.052 178.633 176.600 -0.031 0.000 1.048 300 K CA 0.822 57.087 56.287 -0.038 0.000 0.956 300 K CB -0.053 32.423 32.500 -0.039 0.000 0.746 300 K HN 0.428 nan 8.250 nan 0.000 0.461 301 K N -0.357 120.025 120.400 -0.030 0.000 2.098 301 K HA 0.021 4.341 4.320 0.000 0.000 0.203 301 K C 0.767 177.351 176.600 -0.026 0.000 1.051 301 K CA 0.778 57.047 56.287 -0.029 0.000 0.957 301 K CB 0.548 33.029 32.500 -0.033 0.000 0.738 301 K HN 0.157 nan 8.250 nan 0.000 0.447 302 G N -0.993 107.793 108.800 -0.023 0.000 2.684 302 G HA2 0.335 4.295 3.960 0.000 0.000 0.290 302 G HA3 0.335 4.295 3.960 0.000 0.000 0.290 302 G C -1.665 173.228 174.900 -0.012 0.000 1.425 302 G CA -0.534 44.558 45.100 -0.013 0.000 0.822 302 G HN -0.058 nan 8.290 nan 0.000 0.482 303 S N -0.648 115.050 115.700 -0.002 0.000 2.451 303 S HA 0.707 5.177 4.470 0.000 0.000 0.301 303 S C -0.509 174.087 174.600 -0.007 0.000 1.116 303 S CA -0.633 57.563 58.200 -0.007 0.000 1.093 303 S CB 0.521 63.723 63.200 0.003 0.000 1.017 303 S HN 0.400 nan 8.310 nan 0.000 0.482 304 I N 4.403 124.953 120.570 -0.033 0.000 2.420 304 I HA 0.224 4.394 4.170 0.000 0.000 0.282 304 I C -0.308 175.747 176.117 -0.104 0.000 1.019 304 I CA -0.355 60.911 61.300 -0.057 0.000 1.130 304 I CB 1.892 39.857 38.000 -0.060 0.000 1.262 304 I HN 0.499 nan 8.210 nan 0.000 0.454 305 T N 4.349 118.818 114.554 -0.141 0.000 2.749 305 T HA 0.317 4.667 4.350 0.000 0.000 0.295 305 T C 0.105 174.627 174.700 -0.297 0.000 0.936 305 T CA -0.520 61.465 62.100 -0.190 0.000 1.060 305 T CB 0.616 69.370 68.868 -0.190 0.000 0.904 305 T HN 0.626 nan 8.240 nan 0.000 0.500 306 S N 2.015 117.540 115.700 -0.291 0.000 2.502 306 S HA 0.700 5.170 4.470 0.000 0.000 0.304 306 S C -0.620 173.754 174.600 -0.376 0.000 1.097 306 S CA -0.862 57.123 58.200 -0.358 0.000 1.045 306 S CB 1.393 64.434 63.200 -0.265 0.000 1.019 306 S HN 0.393 nan 8.310 nan 0.000 0.481 307 V N 3.375 123.017 119.914 -0.453 0.000 2.378 307 V HA 0.471 4.591 4.120 0.000 0.000 0.288 307 V C -0.499 175.459 176.094 -0.225 0.000 1.016 307 V CA -0.474 61.630 62.300 -0.327 0.000 0.840 307 V CB 1.175 32.853 31.823 -0.241 0.000 0.994 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.109 122.785 119.800 -0.206 0.000 2.330 308 Q HA 0.726 5.066 4.340 0.000 0.000 0.269 308 Q C -0.356 175.543 176.000 -0.169 0.000 1.022 308 Q CA -0.588 55.100 55.803 -0.193 0.000 0.796 308 Q CB 2.662 31.261 28.738 -0.231 0.000 1.271 308 Q HN 0.866 nan 8.270 nan 0.000 0.450 309 A N 3.669 126.425 122.820 -0.106 0.000 2.366 309 A HA 0.538 4.858 4.320 0.000 0.000 0.272 309 A C -0.318 177.200 177.584 -0.109 0.000 1.135 309 A CA -0.300 51.693 52.037 -0.072 0.000 0.804 309 A CB 0.064 19.077 19.000 0.023 0.000 1.064 309 A HN 0.756 nan 8.150 nan 0.000 0.499 310 I N 3.120 123.564 120.570 -0.212 0.000 2.464 310 I HA 0.132 4.302 4.170 0.000 0.000 0.277 310 I C -0.711 175.322 176.117 -0.141 0.000 1.040 310 I CA -0.457 60.694 61.300 -0.248 0.000 1.153 310 I CB 0.843 38.391 38.000 -0.754 0.000 1.274 310 I HN 0.728 nan 8.210 nan 0.000 0.469 311 Y N 6.919 127.144 120.300 -0.126 0.000 2.544 311 Y HA 0.239 4.789 4.550 0.000 0.000 0.330 311 Y C -0.235 175.339 175.900 -0.544 0.000 1.136 311 Y CA 0.128 58.069 58.100 -0.266 0.000 1.417 311 Y CB 0.714 39.045 38.460 -0.216 0.000 1.229 311 Y HN 0.273 nan 8.280 nan 0.000 0.532 312 V N 10.049 129.375 119.914 -0.980 0.000 2.311 312 V HA 0.269 4.389 4.120 0.000 0.000 0.275 312 V C -2.110 173.472 176.094 -0.853 0.000 1.022 312 V CA -2.084 59.818 62.300 -0.665 0.000 0.830 312 V CB 0.905 32.568 31.823 -0.266 0.000 1.012 312 V HN 0.708 nan 8.190 nan 0.000 0.452 313 P HA 0.147 nan 4.420 nan 0.000 0.267 313 P C 0.596 177.838 177.300 -0.097 0.000 1.209 313 P CA 0.725 63.695 63.100 -0.216 0.000 0.763 313 P CB 0.996 32.741 31.700 0.074 0.000 0.816 314 A N 3.661 126.454 122.820 -0.046 0.000 2.910 314 A HA -0.270 4.050 4.320 0.000 0.000 0.267 314 A C 0.934 178.489 177.584 -0.048 0.000 1.310 314 A CA 1.502 53.532 52.037 -0.013 0.000 0.934 314 A CB -2.625 16.388 19.000 0.022 0.000 1.057 314 A HN 0.537 nan 8.150 nan 0.000 0.742 315 D N -2.229 118.099 120.400 -0.120 0.000 3.028 315 D HA -0.157 4.483 4.640 0.000 0.000 0.207 315 D C -0.258 176.010 176.300 -0.054 0.000 1.100 315 D CA 1.994 55.934 54.000 -0.099 0.000 0.995 315 D CB -1.261 39.507 40.800 -0.055 0.000 1.108 315 D HN 0.915 nan 8.370 nan 0.000 0.421 316 D N 0.421 120.799 120.400 -0.036 0.000 2.393 316 D HA 0.198 4.838 4.640 0.000 0.000 0.232 316 D C 1.359 177.679 176.300 0.034 0.000 1.192 316 D CA -0.200 53.805 54.000 0.007 0.000 0.882 316 D CB 0.266 41.085 40.800 0.032 0.000 1.038 316 D HN 0.182 nan 8.370 nan 0.000 0.499 317 L N 2.777 124.028 121.223 0.046 0.000 2.622 317 L HA -0.037 4.303 4.340 0.000 0.000 0.233 317 L C 2.056 179.001 176.870 0.125 0.000 1.156 317 L CA 0.894 55.800 54.840 0.109 0.000 0.866 317 L CB -0.205 41.909 42.059 0.092 0.000 0.980 317 L HN 0.482 nan 8.230 nan 0.000 0.448 318 T N -5.344 109.257 114.554 0.079 0.000 3.107 318 T HA -0.007 4.343 4.350 0.000 0.000 0.249 318 T C 0.499 175.263 174.700 0.106 0.000 1.096 318 T CA -0.462 61.683 62.100 0.075 0.000 1.012 318 T CB -0.362 68.530 68.868 0.040 0.000 0.977 318 T HN 0.118 nan 8.240 nan 0.000 0.527 319 D N 2.656 123.136 120.400 0.132 0.000 2.458 319 D HA 0.161 4.801 4.640 0.000 0.000 0.243 319 D C -1.271 175.117 176.300 0.147 0.000 1.146 319 D CA -1.778 52.331 54.000 0.182 0.000 0.877 319 D CB 1.173 42.107 40.800 0.222 0.000 1.176 319 D HN -0.046 nan 8.370 nan 0.000 0.461 320 P HA -0.314 nan 4.420 nan 0.000 0.219 320 P C 0.790 177.997 177.300 -0.154 0.000 1.158 320 P CA 2.170 65.215 63.100 -0.092 0.000 0.895 320 P CB 0.011 31.548 31.700 -0.272 0.000 0.792 321 A N -0.158 122.554 122.820 -0.181 0.000 1.841 321 A HA -0.146 4.174 4.320 0.000 0.000 0.216 321 A C 0.019 177.699 177.584 0.160 0.000 1.199 321 A CA 2.674 54.716 52.037 0.009 0.000 0.621 321 A CB -2.289 16.901 19.000 0.317 0.000 0.835 321 A HN 0.227 nan 8.150 nan 0.000 0.445 322 P HA -0.100 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.137 177.300 0.309 0.000 1.153 322 P CA 2.024 65.290 63.100 0.277 0.000 0.848 322 P CB -0.280 31.605 31.700 0.308 0.000 0.787 323 A N -0.006 122.989 122.820 0.291 0.000 1.892 323 A HA -0.188 4.132 4.320 0.000 0.000 0.218 323 A C 2.219 179.989 177.584 0.310 0.000 1.188 323 A CA 2.650 54.887 52.037 0.332 0.000 0.631 323 A CB -2.068 17.041 19.000 0.181 0.000 0.822 323 A HN 0.237 nan 8.150 nan 0.000 0.447 324 T N -0.500 114.172 114.554 0.196 0.000 3.118 324 T HA 0.014 4.364 4.350 0.000 0.000 0.260 324 T C 1.477 176.320 174.700 0.238 0.000 1.139 324 T CA 1.445 63.648 62.100 0.171 0.000 1.085 324 T CB -0.181 68.748 68.868 0.101 0.000 0.934 324 T HN 0.570 nan 8.240 nan 0.000 0.518 325 T N 1.050 115.751 114.554 0.246 0.000 3.051 325 T HA 0.191 4.541 4.350 0.000 0.000 0.255 325 T C 1.401 176.262 174.700 0.268 0.000 1.085 325 T CA 0.020 62.264 62.100 0.241 0.000 1.109 325 T CB -0.233 68.670 68.868 0.058 0.000 0.921 325 T HN 0.265 nan 8.240 nan 0.000 0.488 326 F N 2.626 122.756 119.950 0.300 0.000 2.065 326 F HA -0.123 4.404 4.527 0.000 0.000 0.298 326 F C 2.707 178.565 175.800 0.098 0.000 1.112 326 F CA 1.197 59.316 58.000 0.199 0.000 1.212 326 F CB -0.923 38.093 39.000 0.027 0.000 0.975 326 F HN 0.145 nan 8.300 nan 0.000 0.476 327 A N -1.495 121.439 122.820 0.190 0.000 2.245 327 A HA -0.215 4.105 4.320 0.000 0.000 0.217 327 A C 1.514 179.008 177.584 -0.149 0.000 1.171 327 A CA 1.664 53.687 52.037 -0.023 0.000 0.688 327 A CB -1.017 17.889 19.000 -0.157 0.000 0.781 327 A HN 0.572 nan 8.150 nan 0.000 0.479 328 H N -1.687 117.431 119.070 0.080 0.000 2.652 328 H HA 0.367 4.923 4.556 0.000 0.000 0.274 328 H C -0.135 175.200 175.328 0.012 0.000 1.021 328 H CA -0.004 56.061 56.048 0.027 0.000 1.187 328 H CB 0.199 29.956 29.762 -0.007 0.000 1.505 328 H HN 0.373 nan 8.280 nan 0.000 0.530 329 L N 0.027 121.333 121.223 0.139 0.000 2.332 329 L HA 0.259 4.600 4.340 0.000 0.000 0.269 329 L C 0.906 177.817 176.870 0.068 0.000 1.016 329 L CA -0.593 54.298 54.840 0.085 0.000 0.809 329 L CB 1.559 43.684 42.059 0.111 0.000 1.280 329 L HN -0.142 nan 8.230 nan 0.000 0.447 330 D N 0.320 120.741 120.400 0.035 0.000 2.380 330 D HA 0.238 4.878 4.640 0.000 0.000 0.212 330 D C 0.127 176.462 176.300 0.058 0.000 1.021 330 D CA 0.557 54.578 54.000 0.036 0.000 0.884 330 D CB 1.051 41.856 40.800 0.010 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.533 123.385 122.820 0.053 0.000 2.455 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.493 177.166 177.584 0.126 0.000 1.040 331 A CA -0.555 51.546 52.037 0.107 0.000 0.697 331 A CB 1.676 20.769 19.000 0.155 0.000 1.265 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.992 113.684 114.554 0.202 0.000 2.886 332 T HA 0.698 5.048 4.350 0.000 0.000 0.292 332 T C -0.609 174.261 174.700 0.283 0.000 1.012 332 T CA -0.466 61.798 62.100 0.273 0.000 0.982 332 T CB 1.521 70.609 68.868 0.367 0.000 1.018 332 T HN 0.519 nan 8.240 nan 0.000 0.451 333 T N 3.092 117.834 114.554 0.313 0.000 3.042 333 T HA 0.402 4.752 4.350 0.000 0.000 0.356 333 T C 0.016 174.884 174.700 0.281 0.000 1.233 333 T CA -0.502 61.765 62.100 0.279 0.000 1.038 333 T CB 0.406 69.455 68.868 0.301 0.000 1.089 333 T HN 0.649 nan 8.240 nan 0.000 0.531 334 V N 5.686 125.736 119.914 0.226 0.000 2.387 334 V HA 0.245 4.365 4.120 0.000 0.000 0.260 334 V C 0.437 176.616 176.094 0.140 0.000 1.054 334 V CA -0.502 61.919 62.300 0.201 0.000 0.967 334 V CB 0.018 31.901 31.823 0.100 0.000 1.036 334 V HN 0.732 nan 8.190 nan 0.000 0.481 335 L N 4.168 125.479 121.223 0.147 0.000 2.395 335 L HA 0.482 4.822 4.340 0.000 0.000 0.269 335 L C 0.518 177.422 176.870 0.057 0.000 1.133 335 L CA 0.300 55.199 54.840 0.098 0.000 0.812 335 L CB 1.415 43.541 42.059 0.111 0.000 1.125 335 L HN 0.624 nan 8.230 nan 0.000 0.452 336 S N 1.335 117.049 115.700 0.023 0.000 2.502 336 S HA 0.339 4.809 4.470 0.000 0.000 0.304 336 S C 0.652 175.240 174.600 -0.020 0.000 1.097 336 S CA -0.751 57.447 58.200 -0.004 0.000 1.045 336 S CB 1.705 64.893 63.200 -0.020 0.000 1.019 336 S HN 0.706 nan 8.310 nan 0.000 0.481 337 R N 3.463 123.953 120.500 -0.015 0.000 2.066 337 R HA -0.016 4.324 4.340 0.000 0.000 0.232 337 R C 2.225 178.505 176.300 -0.034 0.000 1.131 337 R CA 1.806 57.897 56.100 -0.015 0.000 0.955 337 R CB -0.705 29.591 30.300 -0.007 0.000 0.851 337 R HN 0.783 nan 8.270 nan 0.000 0.432 338 A N 1.281 124.080 122.820 -0.035 0.000 1.892 338 A HA -0.211 4.109 4.320 0.000 0.000 0.218 338 A C 2.158 179.707 177.584 -0.059 0.000 1.188 338 A CA 1.853 53.865 52.037 -0.041 0.000 0.631 338 A CB -0.685 18.291 19.000 -0.040 0.000 0.822 338 A HN 0.390 nan 8.150 nan 0.000 0.447 339 I N -0.432 120.095 120.570 -0.072 0.000 2.179 339 I HA -0.276 3.894 4.170 0.000 0.000 0.242 339 I C 3.012 179.017 176.117 -0.187 0.000 1.088 339 I CA 1.058 62.297 61.300 -0.101 0.000 1.357 339 I CB -0.553 37.392 38.000 -0.091 0.000 1.051 339 I HN 0.371 nan 8.210 nan 0.000 0.409 340 A N 0.689 123.368 122.820 -0.234 0.000 1.917 340 A HA -0.259 4.061 4.320 0.000 0.000 0.219 340 A C 2.191 179.625 177.584 -0.249 0.000 1.182 340 A CA 1.918 53.703 52.037 -0.420 0.000 0.633 340 A CB -0.708 18.189 19.000 -0.172 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.507 119.632 120.200 -0.101 0.000 2.265 341 E HA -0.073 4.277 4.350 0.000 0.000 0.196 341 E C 1.561 178.139 176.600 -0.037 0.000 0.996 341 E CA 0.546 56.925 56.400 -0.036 0.000 0.832 341 E CB -0.204 29.487 29.700 -0.016 0.000 0.756 341 E HN 0.627 nan 8.360 nan 0.000 0.491 342 L N -0.552 120.632 121.223 -0.066 0.000 2.554 342 L HA 0.049 4.389 4.340 0.000 0.000 0.226 342 L C 1.389 178.247 176.870 -0.020 0.000 1.137 342 L CA 0.536 55.355 54.840 -0.035 0.000 0.863 342 L CB 0.067 42.110 42.059 -0.026 0.000 0.985 342 L HN 0.315 nan 8.230 nan 0.000 0.451 343 G N 0.254 109.018 108.800 -0.059 0.000 2.157 343 G HA2 -0.217 3.743 3.960 0.000 0.000 0.239 343 G HA3 -0.217 3.743 3.960 0.000 0.000 0.239 343 G C 0.209 175.147 174.900 0.063 0.000 0.982 343 G CA -0.477 44.662 45.100 0.065 0.000 0.650 343 G HN 0.135 nan 8.290 nan 0.000 0.527 344 I N 1.149 121.619 120.570 -0.167 0.000 2.312 344 I HA 0.463 4.633 4.170 0.000 0.000 0.291 344 I C -0.175 175.685 176.117 -0.429 0.000 1.031 344 I CA -0.605 60.613 61.300 -0.136 0.000 1.293 344 I CB 0.012 37.971 38.000 -0.069 0.000 1.403 344 I HN 0.045 nan 8.210 nan 0.000 0.484 345 Y N 7.151 127.379 120.300 -0.120 0.000 2.425 345 Y HA 0.431 4.981 4.550 -0.000 0.000 0.344 345 Y C -2.124 173.564 175.900 -0.355 0.000 0.969 345 Y CA -2.657 55.317 58.100 -0.210 0.000 1.052 345 Y CB 1.890 40.204 38.460 -0.244 0.000 1.215 345 Y HN 0.408 nan 8.280 nan 0.000 0.451 346 P HA 0.118 nan 4.420 nan 0.000 0.271 346 P C -0.312 176.990 177.300 0.004 0.000 1.216 346 P CA -0.246 62.869 63.100 0.025 0.000 0.776 346 P CB 1.021 32.808 31.700 0.146 0.000 0.881 347 A N 3.486 126.307 122.820 0.001 0.000 2.478 347 A HA 0.145 4.465 4.320 0.000 0.000 0.239 347 A C 0.545 178.122 177.584 -0.011 0.000 1.480 347 A CA -0.173 51.806 52.037 -0.096 0.000 1.308 347 A CB -1.352 17.570 19.000 -0.131 0.000 0.899 347 A HN 0.393 nan 8.150 nan 0.000 0.600 348 V N 1.197 121.124 119.914 0.022 0.000 2.585 348 V HA 0.010 4.131 4.120 0.000 0.000 0.296 348 V C 0.465 176.569 176.094 0.017 0.000 1.035 348 V CA -0.264 62.063 62.300 0.045 0.000 1.084 348 V CB 0.911 32.770 31.823 0.061 0.000 0.953 348 V HN 0.578 nan 8.190 nan 0.000 0.483 349 D N 8.000 128.413 120.400 0.022 0.000 2.352 349 D HA 0.188 4.828 4.640 0.000 0.000 0.245 349 D C -1.155 175.143 176.300 -0.003 0.000 1.224 349 D CA -2.108 51.892 54.000 0.000 0.000 0.879 349 D CB 1.760 42.560 40.800 -0.001 0.000 1.057 349 D HN 0.268 nan 8.370 nan 0.000 0.491 350 P HA -0.079 nan 4.420 nan 0.000 0.223 350 P C 1.239 178.516 177.300 -0.038 0.000 1.151 350 P CA 0.623 63.705 63.100 -0.030 0.000 0.787 350 P CB 0.446 32.121 31.700 -0.042 0.000 0.788 351 L N -1.040 120.160 121.223 -0.038 0.000 2.628 351 L HA 0.205 4.545 4.340 0.000 0.000 0.229 351 L C 1.484 178.324 176.870 -0.050 0.000 1.137 351 L CA 0.406 55.218 54.840 -0.046 0.000 0.909 351 L CB -0.193 41.837 42.059 -0.049 0.000 1.137 351 L HN -0.123 nan 8.230 nan 0.000 0.470 352 D N -1.382 118.995 120.400 -0.039 0.000 2.514 352 D HA 0.086 4.726 4.640 0.000 0.000 0.225 352 D C 0.385 176.675 176.300 -0.017 0.000 1.159 352 D CA 0.238 54.209 54.000 -0.049 0.000 0.823 352 D CB 0.768 41.538 40.800 -0.050 0.000 1.097 352 D HN -0.063 nan 8.370 nan 0.000 0.519 353 S N -0.203 115.506 115.700 0.014 0.000 2.585 353 S HA 0.643 5.113 4.470 0.000 0.000 0.277 353 S C 0.238 174.866 174.600 0.046 0.000 1.241 353 S CA -0.441 57.796 58.200 0.062 0.000 1.041 353 S CB 1.728 64.978 63.200 0.083 0.000 0.987 353 S HN 0.337 nan 8.310 nan 0.000 0.512 354 T N -1.376 113.226 114.554 0.079 0.000 2.812 354 T HA 0.799 5.149 4.350 0.000 0.000 0.294 354 T C -0.876 173.876 174.700 0.087 0.000 1.159 354 T CA -0.879 61.253 62.100 0.054 0.000 1.008 354 T CB 1.734 70.620 68.868 0.030 0.000 1.289 354 T HN 0.543 nan 8.240 nan 0.000 0.514 355 S N -0.951 114.788 115.700 0.065 0.000 2.605 355 S HA 0.338 4.809 4.470 0.000 0.000 0.279 355 S C 0.307 174.939 174.600 0.052 0.000 1.166 355 S CA -0.797 57.449 58.200 0.078 0.000 0.975 355 S CB 1.331 64.587 63.200 0.092 0.000 1.111 355 S HN 0.797 nan 8.310 nan 0.000 0.465 356 R N 2.835 123.365 120.500 0.051 0.000 2.397 356 R HA 0.047 4.387 4.340 0.000 0.000 0.213 356 R C 0.927 177.246 176.300 0.032 0.000 1.102 356 R CA 0.777 56.899 56.100 0.037 0.000 1.040 356 R CB -0.230 30.089 30.300 0.031 0.000 0.844 356 R HN 0.571 nan 8.270 nan 0.000 0.478 357 I N -0.194 120.396 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 0.000 0.000 0.319 357 I C 0.833 176.953 176.117 0.004 0.000 1.279 357 I CA 0.111 61.423 61.300 0.019 0.000 1.220 357 I CB -0.185 37.831 38.000 0.027 0.000 1.027 357 I HN 0.119 nan 8.210 nan 0.000 0.428 358 M N 2.144 121.753 119.600 0.016 0.000 3.705 358 M HA 0.081 4.561 4.480 0.000 0.000 0.191 358 M C -0.483 175.919 176.300 0.169 0.000 1.570 358 M CA -0.070 55.246 55.300 0.026 0.000 1.714 358 M CB -1.345 31.252 32.600 -0.005 0.000 1.148 358 M HN -0.022 nan 8.290 nan 0.000 0.547 359 D N 1.635 122.103 120.400 0.113 0.000 2.649 359 D HA 0.434 5.074 4.640 0.000 0.000 0.249 359 D C -2.290 173.989 176.300 -0.036 0.000 1.112 359 D CA -2.023 51.997 54.000 0.033 0.000 0.850 359 D CB 2.231 43.023 40.800 -0.012 0.000 1.399 359 D HN 0.065 nan 8.370 nan 0.000 0.503 360 P HA -0.120 nan 4.420 nan 0.000 0.216 360 P C 0.197 177.440 177.300 -0.096 0.000 1.150 360 P CA 1.293 64.254 63.100 -0.232 0.000 0.843 360 P CB 0.023 31.444 31.700 -0.464 0.000 0.787 361 N N -1.354 117.285 118.700 -0.103 0.000 2.515 361 N HA 0.070 4.810 4.740 0.000 0.000 0.191 361 N C 1.267 176.763 175.510 -0.023 0.000 1.182 361 N CA 0.373 53.391 53.050 -0.053 0.000 0.879 361 N CB -0.263 38.192 38.487 -0.053 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.390 119.172 120.570 -0.013 0.000 4.228 362 I HA -0.004 4.166 4.170 0.000 0.000 0.298 362 I C 1.417 177.548 176.117 0.023 0.000 1.206 362 I CA 0.164 61.468 61.300 0.005 0.000 1.322 362 I CB 0.384 38.386 38.000 0.002 0.000 1.411 362 I HN 0.038 nan 8.210 nan 0.000 0.454 363 V N -0.902 119.022 119.914 0.016 0.000 3.647 363 V HA 0.614 4.734 4.120 0.000 0.000 0.279 363 V C 0.792 176.966 176.094 0.132 0.000 1.314 363 V CA 0.280 62.608 62.300 0.046 0.000 1.125 363 V CB -0.734 30.960 31.823 -0.215 0.000 0.907 363 V HN 0.467 nan 8.190 nan 0.000 0.434 364 G N 1.044 109.898 108.800 0.090 0.000 2.705 364 G HA2 -0.133 3.827 3.960 0.000 0.000 0.686 364 G HA3 -0.133 3.827 3.960 0.000 0.000 0.686 364 G C 0.405 175.385 174.900 0.134 0.000 1.285 364 G CA 0.230 45.389 45.100 0.098 0.000 0.800 364 G HN 1.360 nan 8.290 nan 0.000 0.611 365 S N -0.366 115.396 115.700 0.103 0.000 2.428 365 S HA -0.033 4.437 4.470 0.000 0.000 0.230 365 S C 1.701 176.411 174.600 0.182 0.000 1.014 365 S CA 1.646 59.929 58.200 0.139 0.000 0.957 365 S CB 0.016 63.259 63.200 0.071 0.000 0.784 365 S HN 0.862 nan 8.310 nan 0.000 0.499 366 E N 1.130 121.420 120.200 0.150 0.000 2.031 366 E HA -0.266 4.084 4.350 0.000 0.000 0.193 366 E C 2.036 178.752 176.600 0.193 0.000 0.994 366 E CA 1.378 57.862 56.400 0.140 0.000 0.800 366 E CB -0.337 29.426 29.700 0.104 0.000 0.752 366 E HN 0.844 nan 8.360 nan 0.000 0.447 367 H N -1.462 117.664 119.070 0.093 0.000 2.293 367 H HA -0.210 4.346 4.556 0.000 0.000 0.300 367 H C 2.132 177.508 175.328 0.079 0.000 1.082 367 H CA 1.607 57.702 56.048 0.079 0.000 1.308 367 H CB -0.122 29.686 29.762 0.077 0.000 1.375 367 H HN 0.255 nan 8.280 nan 0.000 0.495 368 Y N 1.396 121.762 120.300 0.110 0.000 2.315 368 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 368 Y C 1.517 177.442 175.900 0.041 0.000 1.154 368 Y CA 1.836 59.946 58.100 0.016 0.000 1.229 368 Y CB -0.031 38.423 38.460 -0.011 0.000 0.980 368 Y HN 0.368 nan 8.280 nan 0.000 0.540 369 D N -1.300 119.197 120.400 0.163 0.000 2.271 369 D HA -0.077 4.563 4.640 0.000 0.000 0.206 369 D C 2.285 178.597 176.300 0.020 0.000 0.967 369 D CA 0.976 55.027 54.000 0.085 0.000 0.867 369 D CB -0.142 40.740 40.800 0.137 0.000 0.960 369 D HN 0.292 nan 8.370 nan 0.000 0.509 370 V N 1.413 121.357 119.914 0.050 0.000 2.323 370 V HA -0.138 3.982 4.120 0.000 0.000 0.244 370 V C 2.537 178.615 176.094 -0.026 0.000 1.041 370 V CA 1.565 63.893 62.300 0.046 0.000 1.025 370 V CB -0.792 31.088 31.823 0.094 0.000 0.656 370 V HN 0.146 nan 8.190 nan 0.000 0.451 371 A N 0.514 123.313 122.820 -0.035 0.000 1.849 371 A HA -0.253 4.067 4.320 0.000 0.000 0.217 371 A C 2.286 179.758 177.584 -0.185 0.000 1.202 371 A CA 1.962 53.929 52.037 -0.118 0.000 0.629 371 A CB -0.575 18.340 19.000 -0.141 0.000 0.834 371 A HN 0.395 nan 8.150 nan 0.000 0.447 372 R N -0.365 119.971 120.500 -0.272 0.000 2.189 372 R HA -0.072 4.268 4.340 0.000 0.000 0.223 372 R C 2.202 178.432 176.300 -0.116 0.000 1.092 372 R CA 1.030 56.989 56.100 -0.235 0.000 0.989 372 R CB -1.423 28.695 30.300 -0.304 0.000 0.876 372 R HN 0.589 nan 8.270 nan 0.000 0.457 373 G N 0.201 108.953 108.800 -0.081 0.000 2.394 373 G HA2 -0.169 3.791 3.960 0.000 0.000 0.214 373 G HA3 -0.169 3.791 3.960 0.000 0.000 0.214 373 G C 1.554 176.436 174.900 -0.029 0.000 1.176 373 G CA 0.490 45.572 45.100 -0.030 0.000 0.786 373 G HN 0.143 nan 8.290 nan 0.000 0.533 374 V N 0.857 120.738 119.914 -0.055 0.000 2.287 374 V HA -0.268 3.852 4.120 0.000 0.000 0.248 374 V C 2.971 179.030 176.094 -0.059 0.000 1.053 374 V CA 2.361 64.621 62.300 -0.067 0.000 1.027 374 V CB -0.640 31.066 31.823 -0.195 0.000 0.646 374 V HN 0.457 nan 8.190 nan 0.000 0.447 375 Q N -0.277 119.474 119.800 -0.081 0.000 2.124 375 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 375 Q C 2.357 178.336 176.000 -0.035 0.000 0.977 375 Q CA 1.766 57.531 55.803 -0.063 0.000 0.850 375 Q CB -0.285 28.403 28.738 -0.083 0.000 0.901 375 Q HN 0.587 nan 8.270 nan 0.000 0.429 376 K N 1.043 121.424 120.400 -0.033 0.000 2.057 376 K HA -0.142 4.178 4.320 0.000 0.000 0.207 376 K C 1.975 178.580 176.600 0.007 0.000 1.049 376 K CA 0.962 57.241 56.287 -0.014 0.000 0.931 376 K CB -0.087 32.405 32.500 -0.013 0.000 0.714 376 K HN 0.202 nan 8.250 nan 0.000 0.440 377 I N 0.929 121.507 120.570 0.013 0.000 2.353 377 I HA -0.233 3.937 4.170 0.000 0.000 0.248 377 I C 1.734 177.894 176.117 0.072 0.000 1.119 377 I CA 0.900 62.221 61.300 0.034 0.000 1.417 377 I CB 0.145 38.159 38.000 0.024 0.000 1.078 377 I HN 0.202 nan 8.210 nan 0.000 0.421 378 L N 0.029 121.289 121.223 0.063 0.000 2.217 378 L HA -0.174 4.166 4.340 0.000 0.000 0.211 378 L C 2.472 179.380 176.870 0.063 0.000 1.107 378 L CA 0.691 55.593 54.840 0.102 0.000 0.783 378 L CB -0.578 41.516 42.059 0.060 0.000 0.919 378 L HN 0.281 nan 8.230 nan 0.000 0.442 379 Q N 0.484 120.299 119.800 0.025 0.000 2.079 379 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 379 Q C 1.693 177.703 176.000 0.016 0.000 0.974 379 Q CA 1.692 57.495 55.803 0.000 0.000 0.840 379 Q CB -0.048 28.683 28.738 -0.012 0.000 0.898 379 Q HN 0.351 nan 8.270 nan 0.000 0.430 380 D N -0.884 119.543 120.400 0.045 0.000 2.117 380 D HA -0.161 4.479 4.640 0.000 0.000 0.197 380 D C 1.543 177.913 176.300 0.115 0.000 0.987 380 D CA 1.083 55.119 54.000 0.059 0.000 0.829 380 D CB -0.439 40.394 40.800 0.055 0.000 0.961 380 D HN 0.329 nan 8.370 nan 0.000 0.460 381 Y N 1.973 122.265 120.300 -0.012 0.000 2.181 381 Y HA -0.168 4.382 4.550 0.000 0.000 0.288 381 Y C 2.158 178.051 175.900 -0.012 0.000 1.146 381 Y CA 1.417 59.510 58.100 -0.010 0.000 1.164 381 Y CB -0.429 38.025 38.460 -0.010 0.000 0.982 381 Y HN -0.170 nan 8.280 nan 0.000 0.515 382 K N 0.059 120.383 120.400 -0.127 0.000 2.074 382 K HA -0.186 4.134 4.320 0.000 0.000 0.209 382 K C 2.234 178.758 176.600 -0.127 0.000 1.048 382 K CA 2.155 58.311 56.287 -0.219 0.000 0.926 382 K CB -0.253 32.167 32.500 -0.134 0.000 0.713 382 K HN 0.490 nan 8.250 nan 0.000 0.444 383 S N 0.446 116.117 115.700 -0.049 0.000 2.406 383 S HA -0.065 4.405 4.470 0.000 0.000 0.228 383 S C 1.942 176.535 174.600 -0.012 0.000 1.020 383 S CA 0.708 58.890 58.200 -0.030 0.000 0.965 383 S CB -0.379 62.813 63.200 -0.013 0.000 0.798 383 S HN 0.250 nan 8.310 nan 0.000 0.488 384 L N 1.043 122.281 121.223 0.024 0.000 2.201 384 L HA -0.080 4.260 4.340 0.000 0.000 0.212 384 L C 2.947 179.835 176.870 0.029 0.000 1.105 384 L CA 1.044 55.915 54.840 0.052 0.000 0.775 384 L CB -0.650 41.483 42.059 0.123 0.000 0.913 384 L HN 0.361 nan 8.230 nan 0.000 0.440 385 Q N 0.009 119.790 119.800 -0.032 0.000 2.217 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.209 385 Q C 1.670 177.647 176.000 -0.037 0.000 0.988 385 Q CA 2.137 57.899 55.803 -0.069 0.000 0.878 385 Q CB -0.091 28.516 28.738 -0.219 0.000 0.909 385 Q HN 0.469 nan 8.270 nan 0.000 0.424 386 D N -0.374 120.005 120.400 -0.034 0.000 2.084 386 D HA -0.156 4.484 4.640 0.000 0.000 0.194 386 D C 1.551 177.847 176.300 -0.007 0.000 0.990 386 D CA 1.318 55.304 54.000 -0.023 0.000 0.826 386 D CB 0.055 40.842 40.800 -0.022 0.000 0.971 386 D HN 0.213 nan 8.370 nan 0.000 0.453 387 I N 0.422 120.993 120.570 0.002 0.000 2.202 387 I HA -0.190 3.980 4.170 0.000 0.000 0.242 387 I C 1.954 178.081 176.117 0.018 0.000 1.091 387 I CA 0.476 61.782 61.300 0.010 0.000 1.368 387 I CB -0.352 37.656 38.000 0.015 0.000 1.058 387 I HN 0.067 nan 8.210 nan 0.000 0.410 388 I N 1.725 122.313 120.570 0.030 0.000 2.248 388 I HA -0.312 3.858 4.170 0.000 0.000 0.248 388 I C 2.808 178.943 176.117 0.029 0.000 1.107 388 I CA 1.721 63.047 61.300 0.044 0.000 1.373 388 I CB -1.862 36.188 38.000 0.083 0.000 1.055 388 I HN 0.247 nan 8.210 nan 0.000 0.418 389 A N 0.701 123.530 122.820 0.016 0.000 1.972 389 A HA -0.141 4.179 4.320 0.000 0.000 0.219 389 A C 2.188 179.776 177.584 0.006 0.000 1.169 389 A CA 1.434 53.475 52.037 0.007 0.000 0.635 389 A CB -0.312 18.684 19.000 -0.006 0.000 0.810 389 A HN 0.321 nan 8.150 nan 0.000 0.446 390 I N -1.357 119.217 120.570 0.007 0.000 2.947 390 I HA 0.094 4.264 4.170 0.000 0.000 0.263 390 I C 1.851 177.973 176.117 0.008 0.000 1.130 390 I CA 0.788 62.092 61.300 0.005 0.000 1.448 390 I CB -1.124 36.878 38.000 0.003 0.000 1.222 390 I HN 0.202 nan 8.210 nan 0.000 0.453 391 L N 0.258 121.487 121.223 0.010 0.000 2.640 391 L HA 0.364 4.704 4.340 0.000 0.000 0.230 391 L C 1.201 178.080 176.870 0.015 0.000 1.123 391 L CA 0.250 55.097 54.840 0.012 0.000 0.900 391 L CB -0.401 41.664 42.059 0.011 0.000 1.146 391 L HN 0.418 nan 8.230 nan 0.000 0.484 392 G N 0.775 109.587 108.800 0.020 0.000 2.601 392 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 392 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 392 G C 0.328 175.244 174.900 0.027 0.000 1.294 392 G CA 0.345 45.460 45.100 0.024 0.000 0.912 392 G HN 0.114 nan 8.290 nan 0.000 0.574 393 M N 0.285 119.899 119.600 0.024 0.000 2.501 393 M HA 0.102 4.582 4.480 0.000 0.000 0.261 393 M C 2.058 178.366 176.300 0.014 0.000 1.129 393 M CA 1.091 56.403 55.300 0.021 0.000 1.126 393 M CB -0.178 32.431 32.600 0.015 0.000 1.359 393 M HN 0.588 nan 8.290 nan 0.000 0.471 394 D N 0.991 121.398 120.400 0.012 0.000 2.230 394 D HA -0.247 4.394 4.640 0.000 0.000 0.189 394 D C 1.465 177.771 176.300 0.009 0.000 1.006 394 D CA 1.704 55.709 54.000 0.010 0.000 0.853 394 D CB -0.393 40.412 40.800 0.009 0.000 0.959 394 D HN 0.282 nan 8.370 nan 0.000 0.449 395 E N 0.065 120.272 120.200 0.010 0.000 2.472 395 E HA 0.052 4.402 4.350 0.000 0.000 0.200 395 E C 0.428 177.034 176.600 0.011 0.000 1.046 395 E CA -0.079 56.327 56.400 0.010 0.000 0.871 395 E CB -0.125 29.580 29.700 0.010 0.000 0.806 395 E HN 0.331 nan 8.360 nan 0.000 0.533 396 L N 0.736 121.967 121.223 0.013 0.000 2.439 396 L HA 0.063 4.403 4.340 0.000 0.000 0.269 396 L C 0.841 177.716 176.870 0.009 0.000 1.179 396 L CA -0.249 54.599 54.840 0.013 0.000 0.828 396 L CB 0.795 42.863 42.059 0.015 0.000 1.106 396 L HN 0.060 nan 8.230 nan 0.000 0.467 397 S N 1.286 116.991 115.700 0.009 0.000 2.579 397 S HA -0.027 4.443 4.470 0.000 0.000 0.275 397 S C 0.962 175.564 174.600 0.004 0.000 1.345 397 S CA -0.396 57.808 58.200 0.006 0.000 1.031 397 S CB 1.230 64.434 63.200 0.007 0.000 0.892 397 S HN 0.651 nan 8.310 nan 0.000 0.529 398 E N 1.798 121.999 120.200 0.003 0.000 2.118 398 E HA -0.155 4.196 4.350 0.000 0.000 0.195 398 E C 1.847 178.446 176.600 -0.001 0.000 0.992 398 E CA 1.994 58.395 56.400 0.001 0.000 0.804 398 E CB -0.198 29.503 29.700 0.001 0.000 0.741 398 E HN 0.870 nan 8.360 nan 0.000 0.458 399 E N -0.285 119.915 120.200 0.000 0.000 2.046 399 E HA -0.178 4.172 4.350 0.000 0.000 0.190 399 E C 1.448 178.047 176.600 -0.002 0.000 0.982 399 E CA 1.228 57.628 56.400 -0.001 0.000 0.800 399 E CB 0.004 29.705 29.700 0.002 0.000 0.756 399 E HN 0.191 nan 8.360 nan 0.000 0.449 400 D N 0.526 120.928 120.400 0.002 0.000 2.144 400 D HA -0.138 4.502 4.640 0.000 0.000 0.199 400 D C 1.685 177.981 176.300 -0.007 0.000 0.984 400 D CA 1.059 55.063 54.000 0.006 0.000 0.834 400 D CB -0.006 40.803 40.800 0.016 0.000 0.955 400 D HN 0.149 nan 8.370 nan 0.000 0.465 401 K N 0.017 120.411 120.400 -0.010 0.000 2.280 401 K HA -0.099 4.221 4.320 0.000 0.000 0.202 401 K C 1.873 178.448 176.600 -0.042 0.000 1.047 401 K CA 0.230 56.503 56.287 -0.025 0.000 0.942 401 K CB 0.061 32.552 32.500 -0.015 0.000 0.739 401 K HN 0.058 nan 8.250 nan 0.000 0.457 402 L N 0.949 122.153 121.223 -0.031 0.000 2.270 402 L HA -0.094 4.246 4.340 0.000 0.000 0.210 402 L C 2.398 179.235 176.870 -0.055 0.000 1.104 402 L CA 1.614 56.433 54.840 -0.036 0.000 0.804 402 L CB -0.567 41.481 42.059 -0.019 0.000 0.937 402 L HN 0.258 nan 8.230 nan 0.000 0.450 403 T N -3.770 110.755 114.554 -0.049 0.000 2.737 403 T HA -0.138 4.212 4.350 0.000 0.000 0.265 403 T C 1.857 176.474 174.700 -0.139 0.000 1.038 403 T CA 1.569 63.636 62.100 -0.056 0.000 1.144 403 T CB -0.970 67.890 68.868 -0.013 0.000 0.866 403 T HN 0.086 nan 8.240 nan 0.000 0.434 404 V N 2.432 122.242 119.914 -0.174 0.000 2.282 404 V HA -0.218 3.902 4.120 0.000 0.000 0.249 404 V C 3.125 179.009 176.094 -0.350 0.000 1.057 404 V CA 2.317 64.391 62.300 -0.376 0.000 1.032 404 V CB -1.254 30.423 31.823 -0.243 0.000 0.645 404 V HN 0.620 nan 8.190 nan 0.000 0.447 405 S N -0.105 115.480 115.700 -0.191 0.000 2.351 405 S HA -0.248 4.222 4.470 0.000 0.000 0.220 405 S C 2.080 176.578 174.600 -0.170 0.000 1.035 405 S CA 1.743 59.855 58.200 -0.147 0.000 1.031 405 S CB -0.436 62.716 63.200 -0.080 0.000 0.928 405 S HN 0.509 nan 8.310 nan 0.000 0.433 406 R N 1.243 121.655 120.500 -0.146 0.000 2.091 406 R HA -0.032 4.308 4.340 0.000 0.000 0.238 406 R C 2.622 178.838 176.300 -0.141 0.000 1.136 406 R CA 1.283 57.300 56.100 -0.138 0.000 0.959 406 R CB -0.602 29.650 30.300 -0.080 0.000 0.856 406 R HN 0.461 nan 8.270 nan 0.000 0.437 407 A N 0.984 123.704 122.820 -0.166 0.000 1.902 407 A HA -0.168 4.152 4.320 0.000 0.000 0.217 407 A C 2.004 179.518 177.584 -0.117 0.000 1.181 407 A CA 1.292 53.254 52.037 -0.125 0.000 0.623 407 A CB -0.333 18.549 19.000 -0.195 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 R N -0.442 119.913 120.500 -0.241 0.000 2.189 408 R HA -0.018 4.322 4.340 0.000 0.000 0.218 408 R C 1.851 178.107 176.300 -0.072 0.000 1.074 408 R CA 1.284 57.311 56.100 -0.122 0.000 0.991 408 R CB -0.128 30.080 30.300 -0.154 0.000 0.883 408 R HN 0.492 nan 8.270 nan 0.000 0.457 409 K N 0.092 120.383 120.400 -0.181 0.000 2.262 409 K HA 0.070 4.390 4.320 0.000 0.000 0.200 409 K C 1.861 178.282 176.600 -0.298 0.000 1.049 409 K CA 0.612 56.659 56.287 -0.401 0.000 0.979 409 K CB 0.206 32.217 32.500 -0.814 0.000 0.773 409 K HN 0.085 nan 8.250 nan 0.000 0.474 410 I N 1.272 121.790 120.570 -0.087 0.000 2.286 410 I HA -0.238 3.932 4.170 0.000 0.000 0.245 410 I C 2.639 178.909 176.117 0.255 0.000 1.104 410 I CA 1.113 62.528 61.300 0.191 0.000 1.397 410 I CB 0.024 38.143 38.000 0.199 0.000 1.072 410 I HN 0.194 nan 8.210 nan 0.000 0.417 411 Q N 0.509 120.395 119.800 0.144 0.000 2.061 411 Q HA -0.250 4.091 4.340 0.000 0.000 0.204 411 Q C 2.370 178.467 176.000 0.162 0.000 0.984 411 Q CA 1.771 57.660 55.803 0.144 0.000 0.846 411 Q CB 0.056 28.878 28.738 0.140 0.000 0.902 411 Q HN 0.364 nan 8.270 nan 0.000 0.421 412 R N -0.781 119.825 120.500 0.176 0.000 2.075 412 R HA -0.111 4.229 4.340 0.000 0.000 0.232 412 R C 1.983 178.432 176.300 0.248 0.000 1.126 412 R CA 1.241 57.490 56.100 0.248 0.000 0.963 412 R CB -0.300 30.187 30.300 0.310 0.000 0.858 412 R HN 0.214 nan 8.270 nan 0.000 0.435 413 F N 1.057 121.058 119.950 0.085 0.000 2.494 413 F HA -0.060 4.468 4.527 0.000 0.000 0.298 413 F C 1.380 177.272 175.800 0.154 0.000 1.106 413 F CA 1.010 59.031 58.000 0.035 0.000 1.452 413 F CB 0.052 38.927 39.000 -0.207 0.000 1.085 413 F HN -0.034 nan 8.300 nan 0.000 0.569 414 L N -0.575 120.757 121.223 0.182 0.000 2.395 414 L HA -0.019 4.321 4.340 0.000 0.000 0.218 414 L C 1.469 178.311 176.870 -0.048 0.000 1.130 414 L CA 0.342 55.250 54.840 0.113 0.000 0.826 414 L CB -0.747 41.377 42.059 0.107 0.000 0.941 414 L HN 0.113 nan 8.230 nan 0.000 0.451 415 S N -0.182 115.466 115.700 -0.087 0.000 2.632 415 S HA 0.432 4.902 4.470 0.000 0.000 0.267 415 S C -0.351 174.099 174.600 -0.251 0.000 1.276 415 S CA -0.539 57.555 58.200 -0.176 0.000 0.998 415 S CB 1.899 64.958 63.200 -0.235 0.000 0.953 415 S HN 0.288 nan 8.310 nan 0.000 0.547 416 Q N 0.020 119.648 119.800 -0.287 0.000 2.617 416 Q HA 0.357 4.697 4.340 0.000 0.000 0.270 416 Q C -3.321 172.511 176.000 -0.279 0.000 0.967 416 Q CA -1.661 53.993 55.803 -0.248 0.000 0.887 416 Q CB 2.015 30.674 28.738 -0.132 0.000 1.516 416 Q HN 0.532 nan 8.270 nan 0.000 0.395 417 P HA 0.287 nan 4.420 nan 0.000 0.282 417 P C -1.110 176.275 177.300 0.141 0.000 1.262 417 P CA -0.111 62.936 63.100 -0.087 0.000 0.773 417 P CB 0.215 31.889 31.700 -0.043 0.000 0.879 418 F N 1.699 121.654 119.950 0.009 0.000 2.399 418 F HA 0.279 4.806 4.527 -0.000 0.000 0.334 418 F C 2.127 177.944 175.800 0.029 0.000 1.097 418 F CA -1.138 56.873 58.000 0.019 0.000 1.076 418 F CB 1.073 40.090 39.000 0.027 0.000 1.162 418 F HN 0.437 nan 8.300 nan 0.000 0.495 419 Q N 1.696 121.608 119.800 0.187 0.000 2.002 419 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 419 Q C 1.452 177.524 176.000 0.119 0.000 0.988 419 Q CA 2.497 58.365 55.803 0.108 0.000 0.843 419 Q CB -0.177 28.591 28.738 0.051 0.000 0.908 419 Q HN 0.525 nan 8.270 nan 0.000 0.420 420 V N 0.940 120.927 119.914 0.120 0.000 2.636 420 V HA -0.260 3.860 4.120 0.000 0.000 0.258 420 V C 1.847 178.059 176.094 0.196 0.000 1.092 420 V CA 1.776 64.153 62.300 0.127 0.000 1.110 420 V CB -0.831 31.050 31.823 0.096 0.000 0.685 420 V HN 0.534 nan 8.190 nan 0.000 0.481 421 A N -1.373 121.597 122.820 0.251 0.000 2.535 421 A HA 0.245 4.565 4.320 0.000 0.000 0.273 421 A C 1.689 179.399 177.584 0.210 0.000 1.267 421 A CA -0.115 52.089 52.037 0.278 0.000 0.940 421 A CB -0.130 18.981 19.000 0.184 0.000 1.101 421 A HN 0.508 nan 8.150 nan 0.000 0.521 422 E N -0.057 120.222 120.200 0.131 0.000 2.085 422 E HA -0.175 4.175 4.350 0.000 0.000 0.194 422 E C 1.608 178.213 176.600 0.009 0.000 0.994 422 E CA 1.659 58.106 56.400 0.079 0.000 0.801 422 E CB -0.242 29.490 29.700 0.053 0.000 0.743 422 E HN 0.467 nan 8.360 nan 0.000 0.453 423 V N 0.247 120.101 119.914 -0.100 0.000 2.828 423 V HA -0.218 3.902 4.120 0.000 0.000 0.260 423 V C 1.462 177.329 176.094 -0.377 0.000 1.101 423 V CA 1.547 63.668 62.300 -0.299 0.000 1.123 423 V CB -0.619 30.863 31.823 -0.567 0.000 0.704 423 V HN 0.196 nan 8.190 nan 0.000 0.493 424 F N 0.164 120.110 119.950 -0.006 0.000 2.637 424 F HA 0.066 4.593 4.527 -0.000 0.000 0.284 424 F C 2.545 178.353 175.800 0.014 0.000 1.105 424 F CA 0.900 58.889 58.000 -0.017 0.000 1.356 424 F CB -0.657 38.302 39.000 -0.068 0.000 1.096 424 F HN 0.153 nan 8.300 nan 0.000 0.616 425 T N -2.765 111.919 114.554 0.218 0.000 3.023 425 T HA 0.249 4.599 4.350 0.000 0.000 0.266 425 T C 1.950 176.798 174.700 0.248 0.000 1.093 425 T CA 0.899 63.152 62.100 0.256 0.000 1.129 425 T CB -0.344 68.669 68.868 0.242 0.000 0.899 425 T HN 0.468 nan 8.240 nan 0.000 0.491 426 G N 1.001 109.854 108.800 0.088 0.000 2.148 426 G HA2 -0.206 3.754 3.960 0.000 0.000 0.254 426 G HA3 -0.206 3.754 3.960 0.000 0.000 0.254 426 G C -0.147 174.645 174.900 -0.180 0.000 0.981 426 G CA 0.428 45.483 45.100 -0.076 0.000 0.670 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.795 117.291 119.070 0.027 0.000 2.865 427 H HA 0.670 5.226 4.556 0.000 0.000 0.372 427 H C -0.092 175.248 175.328 0.021 0.000 1.173 427 H CA -0.997 55.064 56.048 0.021 0.000 1.147 427 H CB 1.438 31.211 29.762 0.018 0.000 1.805 427 H HN 0.199 nan 8.280 nan 0.000 0.553 428 L N 1.685 123.005 121.223 0.162 0.000 2.410 428 L HA 0.302 4.642 4.340 0.000 0.000 0.273 428 L C 0.904 177.829 176.870 0.092 0.000 1.144 428 L CA 0.281 55.179 54.840 0.096 0.000 0.863 428 L CB 0.206 42.306 42.059 0.068 0.000 1.140 428 L HN 0.884 nan 8.230 nan 0.000 0.463 429 G N 4.332 113.185 108.800 0.088 0.000 2.414 429 G HA2 0.159 4.119 3.960 0.000 0.000 0.236 429 G HA3 0.159 4.119 3.960 0.000 0.000 0.236 429 G C -0.442 174.503 174.900 0.075 0.000 1.293 429 G CA -0.436 44.725 45.100 0.101 0.000 0.869 429 G HN 0.482 nan 8.290 nan 0.000 0.556 430 K N 0.508 120.956 120.400 0.081 0.000 2.318 430 K HA 0.494 4.814 4.320 0.000 0.000 0.249 430 K C -1.280 175.356 176.600 0.060 0.000 0.942 430 K CA -1.075 55.244 56.287 0.053 0.000 0.808 430 K CB 2.507 35.023 32.500 0.026 0.000 1.189 430 K HN 0.292 nan 8.250 nan 0.000 0.428 431 L N 2.532 123.777 121.223 0.036 0.000 2.345 431 L HA 0.352 4.692 4.340 0.000 0.000 0.274 431 L C -1.291 175.592 176.870 0.021 0.000 0.999 431 L CA -0.728 54.127 54.840 0.025 0.000 0.849 431 L CB 1.569 43.637 42.059 0.015 0.000 1.220 431 L HN 0.281 nan 8.230 nan 0.000 0.422 432 V N 6.962 126.886 119.914 0.017 0.000 2.407 432 V HA 0.508 4.628 4.120 0.000 0.000 0.278 432 V C -1.992 174.114 176.094 0.018 0.000 1.037 432 V CA -1.570 60.742 62.300 0.019 0.000 0.900 432 V CB 1.270 33.099 31.823 0.010 0.000 0.983 432 V HN 0.664 nan 8.190 nan 0.000 0.459 433 P HA 0.127 nan 4.420 nan 0.000 0.271 433 P C 0.708 178.018 177.300 0.017 0.000 1.216 433 P CA -0.406 62.706 63.100 0.020 0.000 0.776 433 P CB 0.827 32.541 31.700 0.023 0.000 0.881 434 L N 4.720 125.945 121.223 0.004 0.000 1.991 434 L HA -0.267 4.073 4.340 0.000 0.000 0.221 434 L C 2.227 179.079 176.870 -0.029 0.000 1.079 434 L CA 2.348 57.172 54.840 -0.025 0.000 0.778 434 L CB -1.308 40.733 42.059 -0.029 0.000 0.893 434 L HN 0.470 nan 8.230 nan 0.000 0.437 435 K N -1.650 118.746 120.400 -0.007 0.000 2.211 435 K HA -0.177 4.143 4.320 0.000 0.000 0.204 435 K C 1.623 178.244 176.600 0.035 0.000 1.047 435 K CA 1.583 57.874 56.287 0.006 0.000 0.935 435 K CB -0.428 32.083 32.500 0.018 0.000 0.728 435 K HN 0.351 nan 8.250 nan 0.000 0.452 436 E N 0.828 121.056 120.200 0.047 0.000 2.152 436 E HA -0.068 4.282 4.350 0.000 0.000 0.192 436 E C 1.889 178.565 176.600 0.127 0.000 0.983 436 E CA 1.338 57.784 56.400 0.077 0.000 0.818 436 E CB -0.225 29.517 29.700 0.070 0.000 0.758 436 E HN 0.442 nan 8.360 nan 0.000 0.467 437 T N 2.152 116.777 114.554 0.119 0.000 2.770 437 T HA -0.025 4.325 4.350 0.000 0.000 0.258 437 T C 2.031 176.895 174.700 0.273 0.000 1.039 437 T CA 0.594 62.825 62.100 0.218 0.000 1.143 437 T CB -0.038 68.912 68.868 0.136 0.000 0.866 437 T HN 0.050 nan 8.240 nan 0.000 0.428 438 I N 1.739 122.365 120.570 0.094 0.000 2.151 438 I HA -0.205 3.965 4.170 0.000 0.000 0.243 438 I C 2.439 178.647 176.117 0.153 0.000 1.080 438 I CA 1.650 62.991 61.300 0.069 0.000 1.339 438 I CB -1.088 36.889 38.000 -0.039 0.000 1.039 438 I HN 0.286 nan 8.210 nan 0.000 0.409 439 K N 1.223 121.695 120.400 0.120 0.000 1.969 439 K HA -0.169 4.151 4.320 0.000 0.000 0.216 439 K C 2.249 178.923 176.600 0.123 0.000 1.048 439 K CA 1.966 58.318 56.287 0.108 0.000 0.948 439 K CB -0.660 31.889 32.500 0.083 0.000 0.726 439 K HN 0.322 nan 8.250 nan 0.000 0.442 440 G N 0.386 109.254 108.800 0.113 0.000 2.545 440 G HA2 -0.275 3.685 3.960 0.000 0.000 0.222 440 G HA3 -0.275 3.685 3.960 0.000 0.000 0.222 440 G C 1.301 176.137 174.900 -0.106 0.000 1.126 440 G CA 1.199 46.284 45.100 -0.026 0.000 0.754 440 G HN 0.311 nan 8.290 nan 0.000 0.583 441 F N 0.609 120.666 119.950 0.179 0.000 2.293 441 F HA 0.089 4.616 4.527 0.000 0.000 0.297 441 F C 2.996 178.839 175.800 0.072 0.000 1.089 441 F CA 1.122 59.206 58.000 0.140 0.000 1.377 441 F CB -0.347 38.745 39.000 0.152 0.000 1.051 441 F HN 0.175 nan 8.300 nan 0.000 0.511 442 Q N 0.112 120.043 119.800 0.219 0.000 1.975 442 Q HA -0.296 4.044 4.340 0.000 0.000 0.205 442 Q C 2.201 178.252 176.000 0.085 0.000 0.990 442 Q CA 2.185 58.066 55.803 0.131 0.000 0.845 442 Q CB -0.516 28.278 28.738 0.094 0.000 0.913 442 Q HN 0.463 nan 8.270 nan 0.000 0.420 443 Q N 0.303 120.143 119.800 0.066 0.000 2.118 443 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 443 Q C 2.139 178.157 176.000 0.030 0.000 0.998 443 Q CA 1.796 57.609 55.803 0.017 0.000 0.872 443 Q CB -0.422 28.348 28.738 0.054 0.000 0.925 443 Q HN 0.446 nan 8.270 nan 0.000 0.414 444 I N 0.435 121.052 120.570 0.079 0.000 2.151 444 I HA -0.323 3.847 4.170 0.000 0.000 0.243 444 I C 2.328 178.456 176.117 0.018 0.000 1.080 444 I CA 1.186 62.505 61.300 0.031 0.000 1.339 444 I CB -0.446 37.491 38.000 -0.104 0.000 1.039 444 I HN 0.244 nan 8.210 nan 0.000 0.409 445 L N 0.727 121.984 121.223 0.057 0.000 2.012 445 L HA -0.208 4.132 4.340 0.000 0.000 0.210 445 L C 2.632 179.513 176.870 0.018 0.000 1.073 445 L CA 1.506 56.374 54.840 0.047 0.000 0.748 445 L CB -0.620 41.484 42.059 0.074 0.000 0.891 445 L HN 0.270 nan 8.230 nan 0.000 0.431 446 A N -0.427 122.401 122.820 0.013 0.000 2.248 446 A HA 0.110 4.430 4.320 0.000 0.000 0.210 446 A C 1.666 179.234 177.584 -0.027 0.000 1.174 446 A CA 0.871 52.904 52.037 -0.008 0.000 0.750 446 A CB -0.841 18.150 19.000 -0.015 0.000 0.780 446 A HN 0.638 nan 8.150 nan 0.000 0.478 447 G N -0.697 108.088 108.800 -0.025 0.000 2.153 447 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 447 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 447 G C 0.366 175.235 174.900 -0.051 0.000 0.994 447 G CA 0.568 45.654 45.100 -0.022 0.000 0.698 447 G HN 0.669 nan 8.290 nan 0.000 0.521 448 E N -1.163 118.944 120.200 -0.154 0.000 2.511 448 E HA 0.148 4.498 4.350 0.000 0.000 0.196 448 E C 0.405 176.696 176.600 -0.515 0.000 1.066 448 E CA 0.413 56.605 56.400 -0.348 0.000 0.871 448 E CB 0.080 29.468 29.700 -0.521 0.000 0.863 448 E HN 0.710 nan 8.360 nan 0.000 0.520 449 Y N -0.904 119.433 120.300 0.062 0.000 2.809 449 Y HA 0.122 4.672 4.550 0.000 0.000 0.251 449 Y C 0.433 176.252 175.900 -0.136 0.000 1.136 449 Y CA -0.822 57.213 58.100 -0.109 0.000 1.185 449 Y CB 0.485 38.954 38.460 0.014 0.000 1.260 449 Y HN -0.075 nan 8.280 nan 0.000 0.576 450 D N -0.302 120.170 120.400 0.119 0.000 2.351 450 D HA -0.147 4.493 4.640 0.000 0.000 0.216 450 D C 1.978 178.345 176.300 0.112 0.000 0.968 450 D CA 1.323 55.377 54.000 0.091 0.000 0.899 450 D CB -0.070 40.776 40.800 0.076 0.000 0.907 450 D HN 0.600 nan 8.370 nan 0.000 0.514 451 H N -0.656 118.481 119.070 0.112 0.000 2.465 451 H HA 0.114 4.670 4.556 0.000 0.000 0.289 451 H C 1.083 176.473 175.328 0.104 0.000 1.022 451 H CA -0.078 56.021 56.048 0.086 0.000 1.340 451 H CB -0.392 29.408 29.762 0.063 0.000 1.437 451 H HN 0.078 nan 8.280 nan 0.000 0.539 452 L N 2.910 123.930 121.223 -0.339 0.000 2.473 452 L HA 0.176 4.516 4.340 0.000 0.000 0.268 452 L C -1.974 174.917 176.870 0.035 0.000 1.215 452 L CA -1.795 52.946 54.840 -0.165 0.000 0.823 452 L CB 0.174 42.037 42.059 -0.327 0.000 1.099 452 L HN 0.132 nan 8.230 nan 0.000 0.483 453 P HA 0.176 nan 4.420 nan 0.000 0.279 453 P C -0.182 177.226 177.300 0.179 0.000 1.252 453 P CA -0.541 62.598 63.100 0.066 0.000 0.811 453 P CB 0.902 32.608 31.700 0.011 0.000 1.035 454 E N 0.742 121.069 120.200 0.211 0.000 2.033 454 E HA -0.256 4.094 4.350 0.000 0.000 0.199 454 E C 1.887 178.671 176.600 0.307 0.000 1.011 454 E CA 1.305 57.895 56.400 0.316 0.000 0.815 454 E CB -0.297 29.488 29.700 0.142 0.000 0.755 454 E HN 0.523 nan 8.360 nan 0.000 0.451 455 Q N 0.517 120.396 119.800 0.131 0.000 2.325 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.053 178.088 176.000 0.058 0.000 0.988 455 Q CA 1.530 57.386 55.803 0.089 0.000 0.887 455 Q CB -0.573 28.181 28.738 0.027 0.000 0.915 455 Q HN 0.288 nan 8.270 nan 0.000 0.440 456 A N 0.571 123.342 122.820 -0.083 0.000 1.969 456 A HA -0.054 4.267 4.320 0.000 0.000 0.218 456 A C 1.712 179.092 177.584 -0.340 0.000 1.169 456 A CA 0.942 52.792 52.037 -0.312 0.000 0.635 456 A CB -0.643 17.991 19.000 -0.609 0.000 0.810 456 A HN 0.315 nan 8.150 nan 0.000 0.445 457 F N -2.205 117.749 119.950 0.007 0.000 2.416 457 F HA 0.117 4.644 4.527 -0.000 0.000 0.296 457 F C 1.042 176.933 175.800 0.152 0.000 1.099 457 F CA -0.065 57.971 58.000 0.060 0.000 1.427 457 F CB -0.590 38.432 39.000 0.038 0.000 1.079 457 F HN 0.264 nan 8.300 nan 0.000 0.536 458 Y N 1.831 122.233 120.300 0.170 0.000 2.610 458 Y HA 0.114 4.664 4.550 -0.000 0.000 0.332 458 Y C 0.774 176.673 175.900 -0.002 0.000 1.201 458 Y CA -0.977 57.176 58.100 0.088 0.000 1.465 458 Y CB 0.214 38.715 38.460 0.069 0.000 1.283 458 Y HN 0.009 nan 8.280 nan 0.000 0.563 459 M N 5.871 125.076 119.600 -0.659 0.000 2.852 459 M HA -0.166 4.314 4.480 0.000 0.000 0.176 459 M C -1.241 174.843 176.300 -0.361 0.000 1.160 459 M CA 1.126 56.036 55.300 -0.651 0.000 0.702 459 M CB -2.380 29.686 32.600 -0.889 0.000 1.193 459 M HN 0.534 nan 8.290 nan 0.000 0.775 460 V N -1.873 117.921 119.914 -0.199 0.000 3.182 460 V HA 1.084 5.204 4.120 0.000 0.000 0.308 460 V C 0.439 176.491 176.094 -0.071 0.000 1.240 460 V CA -0.062 62.188 62.300 -0.084 0.000 1.063 460 V CB 1.795 33.632 31.823 0.023 0.000 1.076 460 V HN 0.500 nan 8.190 nan 0.000 0.446 461 G N 0.017 108.811 108.800 -0.011 0.000 2.992 461 G HA2 0.502 4.462 3.960 0.000 0.000 0.195 461 G HA3 0.502 4.462 3.960 0.000 0.000 0.195 461 G C -2.281 172.663 174.900 0.074 0.000 2.032 461 G CA -0.355 44.738 45.100 -0.012 0.000 0.831 461 G HN 0.788 nan 8.290 nan 0.000 0.647 462 P HA 0.089 nan 4.420 nan 0.000 0.270 462 P C 0.728 178.151 177.300 0.205 0.000 1.223 462 P CA -0.347 62.858 63.100 0.175 0.000 0.785 462 P CB 1.324 33.075 31.700 0.085 0.000 0.923 463 I N 1.528 122.167 120.570 0.115 0.000 2.286 463 I HA -0.272 3.898 4.170 0.000 0.000 0.248 463 I C 1.933 177.921 176.117 -0.215 0.000 1.115 463 I CA 1.776 62.928 61.300 -0.247 0.000 1.392 463 I CB -0.554 37.207 38.000 -0.398 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.606 120.755 120.200 -0.086 0.000 2.171 464 E HA -0.260 4.090 4.350 0.000 0.000 0.197 464 E C 1.979 178.525 176.600 -0.089 0.000 0.997 464 E CA 1.708 58.066 56.400 -0.070 0.000 0.810 464 E CB -0.259 29.433 29.700 -0.014 0.000 0.738 464 E HN 0.627 nan 8.360 nan 0.000 0.467 465 E N -0.057 120.104 120.200 -0.064 0.000 2.285 465 E HA -0.028 4.322 4.350 0.000 0.000 0.194 465 E C 1.931 178.456 176.600 -0.126 0.000 0.997 465 E CA 0.677 57.041 56.400 -0.060 0.000 0.845 465 E CB 0.017 29.710 29.700 -0.012 0.000 0.782 465 E HN 0.284 nan 8.360 nan 0.000 0.491 466 A N 1.106 123.795 122.820 -0.218 0.000 1.970 466 A HA -0.044 4.276 4.320 0.000 0.000 0.216 466 A C 2.431 179.705 177.584 -0.516 0.000 1.170 466 A CA 0.559 52.350 52.037 -0.410 0.000 0.645 466 A CB -0.277 18.373 19.000 -0.583 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.447 467 V N -0.241 119.423 119.914 -0.416 0.000 2.323 467 V HA -0.184 3.936 4.120 0.000 0.000 0.244 467 V C 3.046 179.032 176.094 -0.179 0.000 1.041 467 V CA 1.774 63.891 62.300 -0.304 0.000 1.025 467 V CB -1.007 30.705 31.823 -0.185 0.000 0.656 467 V HN 0.596 nan 8.190 nan 0.000 0.451 468 A N -0.002 122.737 122.820 -0.135 0.000 1.851 468 A HA -0.321 3.999 4.320 0.000 0.000 0.216 468 A C 2.304 179.836 177.584 -0.087 0.000 1.195 468 A CA 2.456 54.444 52.037 -0.082 0.000 0.622 468 A CB -0.697 18.269 19.000 -0.057 0.000 0.831 468 A HN 0.508 nan 8.150 nan 0.000 0.444 469 K N -0.360 119.976 120.400 -0.107 0.000 2.173 469 K HA -0.201 4.119 4.320 0.000 0.000 0.207 469 K C 2.006 178.544 176.600 -0.103 0.000 1.046 469 K CA 1.469 57.704 56.287 -0.088 0.000 0.929 469 K CB -0.336 32.109 32.500 -0.092 0.000 0.720 469 K HN 0.422 nan 8.250 nan 0.000 0.453 470 A N 1.243 123.967 122.820 -0.160 0.000 1.930 470 A HA -0.165 4.155 4.320 0.000 0.000 0.217 470 A C 1.584 179.125 177.584 -0.070 0.000 1.175 470 A CA 1.842 53.793 52.037 -0.143 0.000 0.627 470 A CB -0.402 18.475 19.000 -0.205 0.000 0.815 470 A HN 0.387 nan 8.150 nan 0.000 0.443 471 D N -0.355 120.011 120.400 -0.056 0.000 2.097 471 D HA -0.135 4.505 4.640 0.000 0.000 0.197 471 D C 1.863 178.150 176.300 -0.021 0.000 0.984 471 D CA 1.535 55.519 54.000 -0.027 0.000 0.826 471 D CB -0.328 40.460 40.800 -0.021 0.000 0.973 471 D HN 0.516 nan 8.370 nan 0.000 0.460 472 K N 0.436 120.821 120.400 -0.025 0.000 2.152 472 K HA -0.070 4.250 4.320 0.000 0.000 0.206 472 K C 1.989 178.582 176.600 -0.012 0.000 1.048 472 K CA 0.701 56.979 56.287 -0.014 0.000 0.933 472 K CB -0.037 32.457 32.500 -0.010 0.000 0.721 472 K HN 0.128 nan 8.250 nan 0.000 0.447 473 L N 0.260 121.471 121.223 -0.020 0.000 2.395 473 L HA 0.088 4.428 4.340 0.000 0.000 0.218 473 L C 0.976 177.840 176.870 -0.010 0.000 1.130 473 L CA 0.251 55.082 54.840 -0.014 0.000 0.826 473 L CB -0.944 41.102 42.059 -0.023 0.000 0.941 473 L HN 0.310 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.813 122.820 -0.011 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486