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 2jiz_1_E 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 0.000 174.851 174.700 0.252 0.000 1.109 9 T CA 0.000 62.186 62.100 0.144 0.000 1.349 9 T CB 0.000 68.966 68.868 0.163 0.000 0.612 10 T N 1.273 115.940 114.554 0.187 0.000 2.779 10 T HA 0.761 5.116 4.350 0.009 0.000 0.280 10 T C 0.499 175.088 174.700 -0.185 0.000 0.987 10 T CA -0.287 61.845 62.100 0.053 0.000 0.966 10 T CB 1.310 70.175 68.868 -0.006 0.000 0.933 10 T HN 1.079 nan 8.240 nan 0.000 0.442 11 G N 2.101 110.507 108.800 -0.657 0.000 2.644 11 G HA2 0.748 4.713 3.960 0.009 0.000 0.307 11 G HA3 0.748 4.713 3.960 0.009 0.000 0.307 11 G C -1.085 173.459 174.900 -0.594 0.000 1.250 11 G CA -0.974 43.399 45.100 -1.211 0.000 0.996 11 G HN 0.594 nan 8.290 nan 0.000 0.489 12 R N -0.527 119.692 120.500 -0.469 0.000 2.599 12 R HA 0.391 4.736 4.340 0.009 0.000 0.295 12 R C -0.468 175.716 176.300 -0.195 0.000 0.963 12 R CA -0.754 55.196 56.100 -0.249 0.000 0.883 12 R CB 2.518 32.717 30.300 -0.169 0.000 1.171 12 R HN 0.374 nan 8.270 nan 0.000 0.450 13 I N 3.298 123.790 120.570 -0.130 0.000 2.598 13 I HA -0.092 4.083 4.170 0.009 0.000 0.284 13 I C 1.445 177.523 176.117 -0.065 0.000 1.140 13 I CA 0.209 61.460 61.300 -0.082 0.000 1.420 13 I CB 0.927 38.894 38.000 -0.055 0.000 1.387 13 I HN 0.578 nan 8.210 nan 0.000 0.553 14 V N 3.195 123.079 119.914 -0.050 0.000 3.635 14 V HA 0.588 4.713 4.120 0.009 0.000 0.266 14 V C 0.552 176.632 176.094 -0.023 0.000 1.316 14 V CA 0.361 62.639 62.300 -0.037 0.000 1.060 14 V CB 0.078 31.881 31.823 -0.033 0.000 0.820 14 V HN 0.715 nan 8.190 nan 0.000 0.447 15 A N -0.316 122.493 122.820 -0.019 0.000 2.566 15 A HA 0.799 5.124 4.320 0.009 0.000 0.297 15 A C -1.329 176.249 177.584 -0.009 0.000 1.059 15 A CA -0.377 51.653 52.037 -0.012 0.000 0.691 15 A CB 2.186 21.182 19.000 -0.006 0.000 1.282 15 A HN 0.495 nan 8.150 nan 0.000 0.401 16 V N 2.785 122.695 119.914 -0.008 0.000 2.482 16 V HA 0.492 4.617 4.120 0.009 0.000 0.295 16 V C -0.815 175.276 176.094 -0.004 0.000 1.026 16 V CA -0.054 62.242 62.300 -0.006 0.000 0.856 16 V CB 1.331 33.150 31.823 -0.007 0.000 1.001 16 V HN 0.712 nan 8.190 nan 0.000 0.424 17 I N 4.680 125.248 120.570 -0.003 0.000 2.623 17 I HA 0.577 4.752 4.170 0.009 0.000 0.275 17 I C 1.025 177.140 176.117 -0.003 0.000 1.108 17 I CA -0.067 61.231 61.300 -0.003 0.000 1.120 17 I CB 1.177 39.176 38.000 -0.002 0.000 1.249 17 I HN 0.830 nan 8.210 nan 0.000 0.500 18 G N 4.409 113.207 108.800 -0.004 0.000 2.583 18 G HA2 -0.359 3.607 3.960 0.009 0.000 0.292 18 G HA3 -0.359 3.607 3.960 0.009 0.000 0.292 18 G C 0.791 175.689 174.900 -0.002 0.000 1.203 18 G CA 0.444 45.542 45.100 -0.004 0.000 0.987 18 G HN 0.801 nan 8.290 nan 0.000 0.554 19 A N -0.577 122.242 122.820 -0.003 0.000 2.276 19 A HA 0.574 4.899 4.320 0.009 0.000 0.212 19 A C 0.741 178.327 177.584 0.003 0.000 1.230 19 A CA 1.348 53.385 52.037 0.000 0.000 0.844 19 A CB -0.105 18.894 19.000 -0.002 0.000 0.860 19 A HN 1.424 nan 8.150 nan 0.000 0.486 20 V N 0.964 120.880 119.914 0.003 0.000 2.370 20 V HA 0.379 4.504 4.120 0.009 0.000 0.283 20 V C -0.533 175.565 176.094 0.008 0.000 1.023 20 V CA -0.455 61.849 62.300 0.006 0.000 0.857 20 V CB 1.370 33.196 31.823 0.004 0.000 0.985 20 V HN 0.088 nan 8.190 nan 0.000 0.443 21 V N 4.026 123.948 119.914 0.013 0.000 2.487 21 V HA 0.499 4.624 4.120 0.009 0.000 0.298 21 V C -0.749 175.357 176.094 0.020 0.000 1.028 21 V CA -0.755 61.552 62.300 0.012 0.000 0.860 21 V CB 2.006 33.836 31.823 0.012 0.000 0.991 21 V HN 0.788 nan 8.190 nan 0.000 0.427 22 D N 3.312 123.720 120.400 0.012 0.000 2.168 22 D HA 0.625 5.271 4.640 0.009 0.000 0.246 22 D C -0.590 175.714 176.300 0.006 0.000 1.050 22 D CA -0.107 53.904 54.000 0.018 0.000 0.857 22 D CB 2.382 43.188 40.800 0.011 0.000 1.169 22 D HN 0.280 nan 8.370 nan 0.000 0.453 23 V N 1.899 121.829 119.914 0.028 0.000 2.638 23 V HA 0.305 4.431 4.120 0.009 0.000 0.306 23 V C -0.205 175.889 176.094 0.001 0.000 1.052 23 V CA -0.927 61.361 62.300 -0.021 0.000 0.885 23 V CB 2.012 33.840 31.823 0.008 0.000 0.999 23 V HN 0.405 nan 8.190 nan 0.000 0.424 24 Q N 2.841 122.572 119.800 -0.116 0.000 2.271 24 Q HA 0.661 5.006 4.340 0.009 0.000 0.258 24 Q C -1.904 173.972 176.000 -0.207 0.000 0.936 24 Q CA -0.414 55.351 55.803 -0.062 0.000 0.909 24 Q CB 1.385 30.087 28.738 -0.061 0.000 1.253 24 Q HN 0.626 nan 8.270 nan 0.000 0.440 25 F N 1.848 121.766 119.950 -0.054 0.000 2.508 25 F HA 0.266 4.795 4.527 0.004 0.000 0.325 25 F C 0.610 176.385 175.800 -0.041 0.000 1.090 25 F CA -0.696 57.276 58.000 -0.047 0.000 0.945 25 F CB 1.845 40.812 39.000 -0.056 0.000 1.156 25 F HN 0.630 nan 8.300 nan 0.000 0.463 26 D N 0.622 121.097 120.400 0.124 0.000 2.249 26 D HA -0.030 4.615 4.640 0.009 0.000 0.205 26 D C 1.021 177.361 176.300 0.067 0.000 0.962 26 D CA 1.132 55.170 54.000 0.064 0.000 0.860 26 D CB 0.443 41.260 40.800 0.028 0.000 0.955 26 D HN 0.503 nan 8.370 nan 0.000 0.505 27 E N 0.291 120.546 120.200 0.091 0.000 3.834 27 E HA 0.349 4.704 4.350 0.009 0.000 0.318 27 E C 0.868 177.486 176.600 0.030 0.000 0.680 27 E CA -0.453 55.978 56.400 0.052 0.000 1.860 27 E CB -0.836 28.890 29.700 0.043 0.000 2.061 27 E HN -0.036 nan 8.360 nan 0.000 0.447 28 G N 1.416 110.216 108.800 0.001 0.000 2.398 28 G HA2 0.356 4.321 3.960 0.009 0.000 0.246 28 G HA3 0.356 4.321 3.960 0.009 0.000 0.246 28 G C -0.061 174.755 174.900 -0.140 0.000 1.289 28 G CA -0.204 44.868 45.100 -0.047 0.000 0.869 28 G HN 0.043 nan 8.290 nan 0.000 0.543 29 L N 3.894 125.011 121.223 -0.176 0.000 2.350 29 L HA 0.304 4.650 4.340 0.009 0.000 0.275 29 L C -1.540 175.133 176.870 -0.329 0.000 1.099 29 L CA -1.809 52.818 54.840 -0.356 0.000 0.808 29 L CB 1.675 43.505 42.059 -0.380 0.000 1.149 29 L HN 0.383 nan 8.230 nan 0.000 0.442 30 P HA 0.147 nan 4.420 nan 0.000 0.271 30 P C -2.565 174.734 177.300 -0.001 0.000 1.226 30 P CA -1.174 61.762 63.100 -0.273 0.000 0.765 30 P CB 0.128 31.616 31.700 -0.353 0.000 0.835 31 P HA 0.114 nan 4.420 nan 0.000 0.271 31 P C 0.560 177.872 177.300 0.021 0.000 1.233 31 P CA -0.119 63.012 63.100 0.052 0.000 0.789 31 P CB 0.660 32.338 31.700 -0.036 0.000 0.951 32 I N 1.504 122.013 120.570 -0.101 0.000 2.815 32 I HA -0.157 4.018 4.170 0.009 0.000 0.291 32 I C 1.599 177.648 176.117 -0.112 0.000 1.209 32 I CA 0.727 61.968 61.300 -0.099 0.000 1.431 32 I CB -0.366 37.534 38.000 -0.167 0.000 1.351 32 I HN 0.432 nan 8.210 nan 0.000 0.585 33 L N 1.754 122.906 121.223 -0.118 0.000 4.800 33 L HA -0.268 4.077 4.340 0.009 0.000 0.400 33 L C 0.284 177.113 176.870 -0.068 0.000 0.857 33 L CA 0.116 54.841 54.840 -0.192 0.000 1.908 33 L CB -1.562 40.256 42.059 -0.402 0.000 1.598 33 L HN 0.688 nan 8.230 nan 0.000 0.593 34 N N 1.082 119.763 118.700 -0.032 0.000 2.441 34 N HA 0.450 5.195 4.740 0.009 0.000 0.251 34 N C 0.282 175.807 175.510 0.024 0.000 1.242 34 N CA 0.946 53.995 53.050 -0.003 0.000 0.898 34 N CB 0.708 39.181 38.487 -0.024 0.000 1.100 34 N HN 0.313 nan 8.380 nan 0.000 0.443 35 A N 2.283 125.124 122.820 0.036 0.000 2.301 35 A HA 0.545 4.870 4.320 0.009 0.000 0.298 35 A C -0.435 177.176 177.584 0.045 0.000 1.185 35 A CA -0.513 51.552 52.037 0.046 0.000 0.830 35 A CB 0.019 19.046 19.000 0.045 0.000 1.112 35 A HN 0.605 nan 8.150 nan 0.000 0.508 36 L N 2.156 123.416 121.223 0.061 0.000 2.329 36 L HA 0.491 4.836 4.340 0.009 0.000 0.279 36 L C -0.333 176.574 176.870 0.062 0.000 1.014 36 L CA -0.774 54.117 54.840 0.085 0.000 0.814 36 L CB 1.751 43.893 42.059 0.138 0.000 1.257 36 L HN 0.582 nan 8.230 nan 0.000 0.424 37 E N 2.964 123.197 120.200 0.056 0.000 2.092 37 E HA 0.265 4.621 4.350 0.009 0.000 0.271 37 E C -0.666 175.949 176.600 0.027 0.000 0.919 37 E CA -0.551 55.869 56.400 0.033 0.000 0.760 37 E CB 2.209 31.921 29.700 0.020 0.000 1.106 37 E HN 0.218 nan 8.360 nan 0.000 0.408 38 V N 4.230 124.155 119.914 0.018 0.000 2.521 38 V HA -0.039 4.086 4.120 0.009 0.000 0.286 38 V C 0.727 176.820 176.094 -0.002 0.000 1.034 38 V CA -0.168 62.135 62.300 0.005 0.000 1.045 38 V CB 0.629 32.454 31.823 0.003 0.000 0.974 38 V HN 0.469 nan 8.190 nan 0.000 0.480 39 Q N 2.424 122.218 119.800 -0.010 0.000 2.260 39 Q HA 0.452 4.797 4.340 0.009 0.000 0.238 39 Q C 1.094 177.087 176.000 -0.013 0.000 0.948 39 Q CA 0.347 56.143 55.803 -0.012 0.000 0.895 39 Q CB 1.143 29.871 28.738 -0.017 0.000 1.218 39 Q HN 1.148 nan 8.270 nan 0.000 0.470 40 G N 1.508 110.301 108.800 -0.011 0.000 2.272 40 G HA2 -0.287 3.678 3.960 0.009 0.000 0.280 40 G HA3 -0.287 3.678 3.960 0.009 0.000 0.280 40 G C -0.129 174.766 174.900 -0.008 0.000 1.067 40 G CA 0.343 45.436 45.100 -0.011 0.000 0.902 40 G HN 0.389 nan 8.290 nan 0.000 0.500 41 R N -1.050 119.446 120.500 -0.006 0.000 2.795 41 R HA 0.420 4.765 4.340 0.009 0.000 0.275 41 R C 0.809 177.108 176.300 -0.002 0.000 0.981 41 R CA -0.985 55.113 56.100 -0.003 0.000 0.917 41 R CB 1.045 31.344 30.300 -0.002 0.000 1.202 41 R HN 0.081 nan 8.270 nan 0.000 0.469 42 E N 0.468 120.668 120.200 -0.001 0.000 2.106 42 E HA -0.077 4.278 4.350 0.009 0.000 0.192 42 E C 0.664 177.265 176.600 0.002 0.000 0.984 42 E CA 1.476 57.877 56.400 0.000 0.000 0.806 42 E CB 0.149 29.850 29.700 0.001 0.000 0.750 42 E HN 0.686 nan 8.360 nan 0.000 0.458 43 T N -1.862 112.694 114.554 0.003 0.000 2.916 43 T HA 0.520 4.875 4.350 0.009 0.000 0.292 43 T C 0.020 174.723 174.700 0.005 0.000 1.064 43 T CA -0.962 61.141 62.100 0.005 0.000 1.011 43 T CB 2.033 70.905 68.868 0.006 0.000 1.152 43 T HN -0.190 nan 8.240 nan 0.000 0.510 44 R N 0.705 121.209 120.500 0.007 0.000 2.458 44 R HA 0.254 4.599 4.340 0.009 0.000 0.303 44 R C -0.845 175.462 176.300 0.011 0.000 1.013 44 R CA -0.502 55.603 56.100 0.009 0.000 1.026 44 R CB -0.062 30.244 30.300 0.010 0.000 0.948 44 R HN 0.419 nan 8.270 nan 0.000 0.417 45 L N 5.292 126.522 121.223 0.011 0.000 2.295 45 L HA 0.291 4.636 4.340 0.009 0.000 0.281 45 L C -0.915 175.966 176.870 0.019 0.000 1.018 45 L CA -0.532 54.316 54.840 0.014 0.000 0.841 45 L CB 1.718 43.783 42.059 0.010 0.000 1.218 45 L HN 0.244 nan 8.230 nan 0.000 0.424 46 V N 6.446 126.374 119.914 0.024 0.000 2.439 46 V HA 0.446 4.571 4.120 0.009 0.000 0.282 46 V C 0.141 176.256 176.094 0.036 0.000 1.039 46 V CA -0.524 61.795 62.300 0.032 0.000 0.913 46 V CB 1.495 33.339 31.823 0.034 0.000 0.983 46 V HN 0.581 nan 8.190 nan 0.000 0.460 47 L N 4.252 125.501 121.223 0.044 0.000 2.317 47 L HA 0.618 4.964 4.340 0.009 0.000 0.281 47 L C 0.023 176.926 176.870 0.055 0.000 1.024 47 L CA -0.408 54.461 54.840 0.047 0.000 0.810 47 L CB 1.790 43.880 42.059 0.052 0.000 1.240 47 L HN 0.619 nan 8.230 nan 0.000 0.427 48 E N 2.064 122.296 120.200 0.053 0.000 2.134 48 E HA 0.323 4.678 4.350 0.009 0.000 0.278 48 E C -1.022 175.604 176.600 0.043 0.000 0.959 48 E CA -0.802 55.631 56.400 0.055 0.000 0.783 48 E CB 1.844 31.588 29.700 0.073 0.000 1.095 48 E HN 0.344 nan 8.360 nan 0.000 0.399 49 V N 4.354 124.291 119.914 0.038 0.000 2.493 49 V HA 0.014 4.140 4.120 0.009 0.000 0.292 49 V C 0.953 177.059 176.094 0.020 0.000 1.016 49 V CA 1.004 63.330 62.300 0.044 0.000 1.097 49 V CB 0.683 32.541 31.823 0.058 0.000 0.947 49 V HN 0.887 nan 8.190 nan 0.000 0.479 50 A N 4.410 127.250 122.820 0.033 0.000 2.013 50 A HA 0.298 4.623 4.320 0.009 0.000 0.204 50 A C 0.767 178.363 177.584 0.019 0.000 1.262 50 A CA 0.302 52.346 52.037 0.011 0.000 0.800 50 A CB 0.341 19.348 19.000 0.012 0.000 0.909 50 A HN 0.754 nan 8.150 nan 0.000 0.472 51 Q N -1.021 118.821 119.800 0.070 0.000 2.418 51 Q HA 0.351 4.696 4.340 0.009 0.000 0.282 51 Q C -1.700 174.438 176.000 0.231 0.000 1.044 51 Q CA -0.558 55.301 55.803 0.093 0.000 0.813 51 Q CB 1.929 30.703 28.738 0.060 0.000 1.428 51 Q HN 0.628 nan 8.270 nan 0.000 0.402 52 H N 2.324 121.388 119.070 -0.009 0.000 2.623 52 H HA 0.235 4.792 4.556 0.001 0.000 0.299 52 H C 0.537 175.866 175.328 0.003 0.000 1.052 52 H CA -0.219 55.827 56.048 -0.004 0.000 1.231 52 H CB 0.904 30.657 29.762 -0.014 0.000 1.389 52 H HN 0.427 nan 8.280 nan 0.000 0.469 53 L N 2.837 124.112 121.223 0.086 0.000 2.552 53 L HA 0.121 4.466 4.340 0.009 0.000 0.227 53 L C 1.270 178.164 176.870 0.039 0.000 1.146 53 L CA 0.490 55.361 54.840 0.052 0.000 0.858 53 L CB -0.130 41.949 42.059 0.033 0.000 0.969 53 L HN 0.864 nan 8.230 nan 0.000 0.451 54 G N 0.137 108.960 108.800 0.038 0.000 2.712 54 G HA2 -0.195 3.770 3.960 0.009 0.000 0.683 54 G HA3 -0.195 3.770 3.960 0.009 0.000 0.683 54 G C 0.028 174.933 174.900 0.008 0.000 1.320 54 G CA -0.408 44.706 45.100 0.024 0.000 0.847 54 G HN 0.318 nan 8.290 nan 0.000 0.553 55 E N -0.991 119.213 120.200 0.007 0.000 2.360 55 E HA -0.214 4.141 4.350 0.009 0.000 0.238 55 E C 1.041 177.642 176.600 0.001 0.000 1.186 55 E CA 1.110 57.512 56.400 0.004 0.000 0.719 55 E CB -1.495 28.208 29.700 0.004 0.000 1.236 55 E HN 1.976 nan 8.360 nan 0.000 0.386 56 S N -2.064 113.632 115.700 -0.006 0.000 3.476 56 S HA -0.198 4.277 4.470 0.009 0.000 0.309 56 S C 0.105 174.713 174.600 0.013 0.000 1.222 56 S CA 1.504 59.702 58.200 -0.003 0.000 0.922 56 S CB -0.824 62.391 63.200 0.024 0.000 1.023 56 S HN 0.443 nan 8.310 nan 0.000 0.591 57 T N 1.684 116.232 114.554 -0.011 0.000 2.807 57 T HA 0.604 4.959 4.350 0.009 0.000 0.279 57 T C 0.198 174.888 174.700 -0.016 0.000 0.993 57 T CA -0.340 61.767 62.100 0.012 0.000 0.970 57 T CB 1.749 70.623 68.868 0.011 0.000 0.950 57 T HN 0.448 nan 8.240 nan 0.000 0.441 58 V N 1.727 121.656 119.914 0.024 0.000 2.547 58 V HA 0.739 4.865 4.120 0.009 0.000 0.299 58 V C -0.125 176.006 176.094 0.063 0.000 1.040 58 V CA -1.324 60.993 62.300 0.029 0.000 0.913 58 V CB 1.501 33.339 31.823 0.026 0.000 0.992 58 V HN 0.844 nan 8.190 nan 0.000 0.449 59 R N 2.585 123.125 120.500 0.066 0.000 2.294 59 R HA 0.705 5.050 4.340 0.009 0.000 0.319 59 R C -0.056 176.276 176.300 0.055 0.000 0.984 59 R CA 0.269 56.400 56.100 0.052 0.000 0.861 59 R CB 1.421 31.745 30.300 0.040 0.000 1.104 59 R HN 1.153 nan 8.270 nan 0.000 0.451 60 T N 2.002 116.584 114.554 0.047 0.000 2.930 60 T HA 0.573 4.928 4.350 0.009 0.000 0.290 60 T C 0.116 174.835 174.700 0.031 0.000 1.052 60 T CA -1.031 61.096 62.100 0.045 0.000 1.017 60 T CB 1.119 70.020 68.868 0.056 0.000 1.137 60 T HN 0.576 nan 8.240 nan 0.000 0.511 61 I N -0.142 120.446 120.570 0.029 0.000 2.406 61 I HA 0.805 4.981 4.170 0.009 0.000 0.290 61 I C 0.151 176.283 176.117 0.025 0.000 0.999 61 I CA -1.517 59.796 61.300 0.021 0.000 1.124 61 I CB 1.372 39.382 38.000 0.015 0.000 1.289 61 I HN 0.868 nan 8.210 nan 0.000 0.441 62 A N 6.823 129.654 122.820 0.018 0.000 2.388 62 A HA 0.496 4.821 4.320 0.009 0.000 0.257 62 A C 0.799 178.394 177.584 0.019 0.000 1.095 62 A CA -0.507 51.541 52.037 0.019 0.000 0.791 62 A CB 0.634 19.642 19.000 0.013 0.000 1.029 62 A HN 0.873 nan 8.150 nan 0.000 0.489 63 M N 0.676 120.290 119.600 0.023 0.000 2.495 63 M HA 0.173 4.658 4.480 0.009 0.000 0.237 63 M C -0.044 176.268 176.300 0.019 0.000 1.131 63 M CA 0.644 55.958 55.300 0.023 0.000 1.032 63 M CB -0.911 31.707 32.600 0.029 0.000 1.513 63 M HN 0.785 nan 8.290 nan 0.000 0.488 64 D N -1.080 119.329 120.400 0.015 0.000 2.664 64 D HA 0.483 5.128 4.640 0.009 0.000 0.292 64 D C -0.511 175.794 176.300 0.008 0.000 1.214 64 D CA -0.213 53.794 54.000 0.012 0.000 0.932 64 D CB 1.410 42.217 40.800 0.013 0.000 1.420 64 D HN 0.106 nan 8.370 nan 0.000 0.471 65 G N -1.010 107.794 108.800 0.006 0.000 2.554 65 G HA2 0.343 4.308 3.960 0.009 0.000 0.238 65 G HA3 0.343 4.308 3.960 0.009 0.000 0.238 65 G C 0.763 175.665 174.900 0.003 0.000 1.259 65 G CA 0.568 45.670 45.100 0.004 0.000 0.843 65 G HN 0.413 nan 8.290 nan 0.000 0.582 66 T N -1.640 112.915 114.554 0.001 0.000 3.044 66 T HA 0.156 4.511 4.350 0.009 0.000 0.260 66 T C 0.708 175.407 174.700 -0.002 0.000 1.019 66 T CA 0.001 62.101 62.100 0.000 0.000 0.921 66 T CB 0.088 68.956 68.868 0.000 0.000 1.053 66 T HN 0.652 nan 8.240 nan 0.000 0.533 67 E N 2.174 122.373 120.200 -0.002 0.000 2.502 67 E HA 0.234 4.589 4.350 0.009 0.000 0.261 67 E C 1.201 177.799 176.600 -0.003 0.000 0.974 67 E CA 0.856 57.255 56.400 -0.003 0.000 0.936 67 E CB -0.198 29.500 29.700 -0.002 0.000 0.926 67 E HN 0.542 nan 8.360 nan 0.000 0.459 68 G N 2.593 111.391 108.800 -0.005 0.000 2.195 68 G HA2 -0.269 3.696 3.960 0.009 0.000 0.246 68 G HA3 -0.269 3.696 3.960 0.009 0.000 0.246 68 G C 0.307 175.202 174.900 -0.008 0.000 0.984 68 G CA 0.156 45.253 45.100 -0.006 0.000 0.633 68 G HN 0.487 nan 8.290 nan 0.000 0.525 69 L N 1.063 122.280 121.223 -0.009 0.000 2.426 69 L HA 0.494 4.839 4.340 0.009 0.000 0.271 69 L C 0.671 177.533 176.870 -0.014 0.000 1.169 69 L CA -0.394 54.439 54.840 -0.012 0.000 0.836 69 L CB 1.195 43.247 42.059 -0.011 0.000 1.112 69 L HN -0.001 nan 8.230 nan 0.000 0.465 70 V N 3.262 123.165 119.914 -0.018 0.000 2.715 70 V HA 0.383 4.508 4.120 0.009 0.000 0.310 70 V C 0.129 176.207 176.094 -0.026 0.000 1.054 70 V CA -0.956 61.332 62.300 -0.020 0.000 0.928 70 V CB 1.930 33.741 31.823 -0.020 0.000 1.007 70 V HN 0.674 nan 8.190 nan 0.000 0.437 71 R N 2.213 122.697 120.500 -0.026 0.000 2.449 71 R HA 0.449 4.794 4.340 0.009 0.000 0.296 71 R C 1.205 177.482 176.300 -0.038 0.000 1.047 71 R CA 0.880 56.961 56.100 -0.032 0.000 1.018 71 R CB 0.177 30.461 30.300 -0.027 0.000 0.962 71 R HN 1.191 nan 8.270 nan 0.000 0.428 72 G N 1.768 110.537 108.800 -0.051 0.000 2.195 72 G HA2 -0.305 3.661 3.960 0.009 0.000 0.224 72 G HA3 -0.305 3.661 3.960 0.009 0.000 0.224 72 G C 0.182 175.044 174.900 -0.063 0.000 0.990 72 G CA -0.157 44.908 45.100 -0.058 0.000 0.639 72 G HN 0.589 nan 8.290 nan 0.000 0.514 73 Q N 1.176 120.941 119.800 -0.057 0.000 2.361 73 Q HA 0.430 4.775 4.340 0.009 0.000 0.276 73 Q C 0.371 176.325 176.000 -0.076 0.000 1.022 73 Q CA 0.191 55.962 55.803 -0.054 0.000 0.898 73 Q CB 0.308 29.022 28.738 -0.041 0.000 1.246 73 Q HN 0.456 nan 8.270 nan 0.000 0.410 74 K N 1.750 122.108 120.400 -0.070 0.000 2.298 74 K HA 0.320 4.645 4.320 0.009 0.000 0.280 74 K C -1.138 175.414 176.600 -0.080 0.000 1.032 74 K CA -0.380 55.855 56.287 -0.086 0.000 0.958 74 K CB 1.149 33.613 32.500 -0.060 0.000 0.978 74 K HN 0.287 nan 8.250 nan 0.000 0.472 75 V N 4.152 123.996 119.914 -0.117 0.000 2.569 75 V HA 0.171 4.297 4.120 0.009 0.000 0.301 75 V C -0.823 175.272 176.094 0.002 0.000 1.044 75 V CA -0.968 61.295 62.300 -0.061 0.000 0.874 75 V CB 1.724 33.504 31.823 -0.072 0.000 1.002 75 V HN 0.617 nan 8.190 nan 0.000 0.424 76 L N 4.172 125.433 121.223 0.064 0.000 2.276 76 L HA 0.543 4.888 4.340 0.009 0.000 0.286 76 L C -0.225 176.743 176.870 0.163 0.000 1.061 76 L CA 0.083 54.989 54.840 0.111 0.000 0.807 76 L CB 1.374 43.465 42.059 0.053 0.000 1.177 76 L HN 0.814 nan 8.230 nan 0.000 0.429 77 D N 2.458 122.993 120.400 0.225 0.000 2.343 77 D HA 0.031 4.676 4.640 0.009 0.000 0.255 77 D C 1.188 177.512 176.300 0.040 0.000 1.187 77 D CA 0.145 54.209 54.000 0.106 0.000 0.875 77 D CB 1.332 42.114 40.800 -0.030 0.000 1.136 77 D HN 0.587 nan 8.370 nan 0.000 0.469 78 S N 2.715 118.427 115.700 0.021 0.000 2.489 78 S HA 0.117 4.593 4.470 0.009 0.000 0.228 78 S C 1.779 176.371 174.600 -0.014 0.000 0.995 78 S CA 0.502 58.702 58.200 0.000 0.000 0.934 78 S CB -0.252 62.946 63.200 -0.003 0.000 0.771 78 S HN 1.003 nan 8.310 nan 0.000 0.522 79 G N 0.284 109.071 108.800 -0.021 0.000 2.176 79 G HA2 0.095 4.060 3.960 0.009 0.000 0.253 79 G HA3 0.095 4.060 3.960 0.009 0.000 0.253 79 G C 0.125 175.014 174.900 -0.019 0.000 0.979 79 G CA -0.147 44.937 45.100 -0.027 0.000 0.641 79 G HN 1.587 nan 8.290 nan 0.000 0.530 80 A N -0.945 121.870 122.820 -0.009 0.000 2.610 80 A HA 0.893 5.218 4.320 0.009 0.000 0.291 80 A C -2.947 174.652 177.584 0.025 0.000 1.086 80 A CA -0.770 51.271 52.037 0.006 0.000 0.677 80 A CB 1.108 20.113 19.000 0.009 0.000 1.278 80 A HN 0.073 nan 8.150 nan 0.000 0.414 81 P HA 0.228 nan 4.420 nan 0.000 0.272 81 P C -0.296 177.061 177.300 0.094 0.000 1.248 81 P CA -0.138 63.025 63.100 0.104 0.000 0.799 81 P CB 0.188 32.002 31.700 0.190 0.000 0.997 82 I N 0.920 121.558 120.570 0.114 0.000 2.919 82 I HA -0.126 4.049 4.170 0.009 0.000 0.299 82 I C 1.119 177.276 176.117 0.067 0.000 1.221 82 I CA 1.045 62.390 61.300 0.075 0.000 1.424 82 I CB -0.293 37.746 38.000 0.065 0.000 1.358 82 I HN 0.110 nan 8.210 nan 0.000 0.551 83 R N 7.383 127.923 120.500 0.066 0.000 2.514 83 R HA 0.724 5.070 4.340 0.009 0.000 0.301 83 R C -0.806 175.605 176.300 0.184 0.000 0.962 83 R CA -0.909 55.255 56.100 0.106 0.000 0.882 83 R CB 1.908 32.261 30.300 0.087 0.000 1.143 83 R HN 0.550 nan 8.270 nan 0.000 0.452 84 I N -1.065 119.627 120.570 0.204 0.000 2.892 84 I HA 0.576 4.751 4.170 0.009 0.000 0.306 84 I C -2.754 173.381 176.117 0.030 0.000 1.078 84 I CA -3.347 58.053 61.300 0.167 0.000 1.032 84 I CB 1.931 39.952 38.000 0.036 0.000 1.229 84 I HN 0.312 nan 8.210 nan 0.000 0.435 85 P HA 0.238 nan 4.420 nan 0.000 0.267 85 P C -0.867 176.149 177.300 -0.475 0.000 1.205 85 P CA -0.156 62.524 63.100 -0.700 0.000 0.765 85 P CB 0.748 32.127 31.700 -0.534 0.000 0.828 86 V N 0.782 120.356 119.914 -0.566 0.000 2.735 86 V HA 1.029 5.154 4.120 0.009 0.000 0.310 86 V C 0.064 175.583 176.094 -0.959 0.000 1.061 86 V CA -0.257 61.671 62.300 -0.621 0.000 0.913 86 V CB 1.460 33.004 31.823 -0.464 0.000 1.005 86 V HN 0.908 nan 8.190 nan 0.000 0.428 87 G N 3.591 111.684 108.800 -1.179 0.000 2.359 87 G HA2 0.206 4.171 3.960 0.009 0.000 0.303 87 G HA3 0.206 4.171 3.960 0.009 0.000 0.303 87 G C -2.840 171.808 174.900 -0.419 0.000 1.293 87 G CA 0.013 44.409 45.100 -1.173 0.000 0.964 87 G HN 0.550 nan 8.290 nan 0.000 0.531 88 P HA 0.024 nan 4.420 nan 0.000 0.219 88 P C 1.301 178.557 177.300 -0.073 0.000 1.146 88 P CA 1.472 64.594 63.100 0.037 0.000 0.808 88 P CB 0.114 31.849 31.700 0.059 0.000 0.779 89 E N -1.379 118.745 120.200 -0.128 0.000 2.418 89 E HA -0.091 4.264 4.350 0.009 0.000 0.197 89 E C 1.742 178.265 176.600 -0.128 0.000 1.026 89 E CA 1.300 57.625 56.400 -0.124 0.000 0.862 89 E CB -0.945 28.671 29.700 -0.141 0.000 0.799 89 E HN 0.404 nan 8.360 nan 0.000 0.518 90 T N -1.874 112.597 114.554 -0.138 0.000 3.067 90 T HA 0.071 4.426 4.350 0.009 0.000 0.261 90 T C 0.811 175.470 174.700 -0.068 0.000 1.110 90 T CA -0.101 61.930 62.100 -0.115 0.000 1.113 90 T CB -0.113 68.675 68.868 -0.134 0.000 0.917 90 T HN -0.025 nan 8.240 nan 0.000 0.499 91 L N 2.072 123.253 121.223 -0.069 0.000 2.477 91 L HA 0.462 4.807 4.340 0.009 0.000 0.272 91 L C 1.658 178.484 176.870 -0.073 0.000 1.157 91 L CA 0.779 55.562 54.840 -0.096 0.000 0.889 91 L CB 0.226 42.136 42.059 -0.247 0.000 1.158 91 L HN 0.564 nan 8.230 nan 0.000 0.473 92 G N 2.088 110.863 108.800 -0.042 0.000 2.199 92 G HA2 -0.207 3.758 3.960 0.009 0.000 0.254 92 G HA3 -0.207 3.758 3.960 0.009 0.000 0.254 92 G C 0.371 175.270 174.900 -0.002 0.000 0.982 92 G CA -0.454 44.641 45.100 -0.009 0.000 0.632 92 G HN 0.460 nan 8.290 nan 0.000 0.529 93 R N 0.120 120.586 120.500 -0.055 0.000 2.573 93 R HA 0.728 5.073 4.340 0.009 0.000 0.272 93 R C 0.320 176.512 176.300 -0.180 0.000 1.009 93 R CA -0.826 55.213 56.100 -0.101 0.000 1.059 93 R CB 0.767 31.009 30.300 -0.097 0.000 1.112 93 R HN 0.359 nan 8.270 nan 0.000 0.517 94 I N 3.299 123.708 120.570 -0.268 0.000 2.362 94 I HA 0.376 4.551 4.170 0.009 0.000 0.289 94 I C 0.563 176.532 176.117 -0.245 0.000 0.994 94 I CA -0.658 60.417 61.300 -0.374 0.000 1.158 94 I CB 1.275 38.910 38.000 -0.608 0.000 1.315 94 I HN 0.391 nan 8.210 nan 0.000 0.451 95 M N 4.181 123.668 119.600 -0.188 0.000 2.762 95 M HA 0.607 5.092 4.480 0.009 0.000 0.306 95 M C -0.689 175.574 176.300 -0.061 0.000 1.223 95 M CA -0.723 54.514 55.300 -0.105 0.000 0.896 95 M CB 1.715 34.270 32.600 -0.074 0.000 1.684 95 M HN 0.506 nan 8.290 nan 0.000 0.491 96 N N 0.487 119.177 118.700 -0.017 0.000 2.531 96 N HA 0.211 4.956 4.740 0.009 0.000 0.301 96 N C 0.489 176.015 175.510 0.026 0.000 1.310 96 N CA -0.707 52.358 53.050 0.024 0.000 0.949 96 N CB -0.030 38.474 38.487 0.029 0.000 1.111 96 N HN 0.588 nan 8.380 nan 0.000 0.565 97 V N -0.694 119.241 119.914 0.035 0.000 2.626 97 V HA -0.020 4.106 4.120 0.009 0.000 0.252 97 V C 1.496 177.604 176.094 0.023 0.000 1.067 97 V CA 1.473 63.790 62.300 0.029 0.000 1.081 97 V CB -0.831 31.012 31.823 0.033 0.000 0.686 97 V HN 0.629 nan 8.190 nan 0.000 0.468 98 I N -2.423 118.163 120.570 0.027 0.000 3.904 98 I HA 0.560 4.735 4.170 0.009 0.000 0.333 98 I C 1.320 177.462 176.117 0.042 0.000 1.361 98 I CA 0.550 61.870 61.300 0.033 0.000 1.116 98 I CB -0.102 37.918 38.000 0.033 0.000 1.028 98 I HN 0.268 nan 8.210 nan 0.000 0.398 99 G N 1.237 110.054 108.800 0.029 0.000 2.141 99 G HA2 -0.248 3.717 3.960 0.009 0.000 0.242 99 G HA3 -0.248 3.717 3.960 0.009 0.000 0.242 99 G C -0.124 174.791 174.900 0.025 0.000 0.982 99 G CA -0.043 45.074 45.100 0.027 0.000 0.662 99 G HN 0.631 nan 8.290 nan 0.000 0.527 100 E N 1.734 121.946 120.200 0.019 0.000 2.354 100 E HA 0.373 4.729 4.350 0.009 0.000 0.269 100 E C -2.123 174.465 176.600 -0.020 0.000 1.036 100 E CA -1.624 54.782 56.400 0.010 0.000 0.876 100 E CB 1.103 30.809 29.700 0.011 0.000 1.009 100 E HN 0.217 nan 8.360 nan 0.000 0.416 101 P HA 0.022 nan 4.420 nan 0.000 0.276 101 P C 0.055 177.320 177.300 -0.059 0.000 1.230 101 P CA 0.331 63.396 63.100 -0.058 0.000 0.776 101 P CB 0.382 32.051 31.700 -0.051 0.000 0.888 102 I N -0.626 119.888 120.570 -0.094 0.000 4.009 102 I HA 0.229 4.404 4.170 0.009 0.000 0.331 102 I C 0.291 176.335 176.117 -0.122 0.000 1.462 102 I CA -0.197 61.054 61.300 -0.081 0.000 1.117 102 I CB -0.067 37.900 38.000 -0.056 0.000 1.091 102 I HN 0.029 nan 8.210 nan 0.000 0.410 103 D N 0.651 120.958 120.400 -0.155 0.000 2.340 103 D HA 0.001 4.646 4.640 0.009 0.000 0.217 103 D C 0.507 176.769 176.300 -0.064 0.000 1.081 103 D CA -0.090 53.801 54.000 -0.183 0.000 0.842 103 D CB -0.195 40.438 40.800 -0.279 0.000 0.934 103 D HN 0.493 nan 8.370 nan 0.000 0.511 104 E N -0.419 119.757 120.200 -0.040 0.000 2.722 104 E HA -0.258 4.097 4.350 0.009 0.000 0.265 104 E C 0.197 176.797 176.600 -0.000 0.000 1.081 104 E CA 0.351 56.746 56.400 -0.009 0.000 0.781 104 E CB -1.139 28.566 29.700 0.009 0.000 1.372 104 E HN 0.398 nan 8.360 nan 0.000 0.423 105 R N 0.055 120.548 120.500 -0.011 0.000 2.552 105 R HA 0.300 4.645 4.340 0.009 0.000 0.314 105 R C 0.818 177.113 176.300 -0.009 0.000 1.041 105 R CA 0.302 56.401 56.100 -0.002 0.000 1.076 105 R CB 1.031 31.332 30.300 0.002 0.000 1.290 105 R HN 0.291 nan 8.270 nan 0.000 0.563 106 G N 1.988 110.783 108.800 -0.010 0.000 2.760 106 G HA2 -0.224 3.741 3.960 0.009 0.000 0.246 106 G HA3 -0.224 3.741 3.960 0.009 0.000 0.246 106 G C -2.505 172.388 174.900 -0.012 0.000 1.359 106 G CA -1.278 43.817 45.100 -0.007 0.000 0.861 106 G HN 0.049 nan 8.290 nan 0.000 0.541 107 P HA 0.324 nan 4.420 nan 0.000 0.266 107 P C 0.225 177.512 177.300 -0.021 0.000 1.193 107 P CA -0.014 63.085 63.100 -0.002 0.000 0.770 107 P CB 0.287 31.994 31.700 0.012 0.000 0.836 108 I N 2.896 123.447 120.570 -0.032 0.000 2.269 108 I HA 0.101 4.276 4.170 0.009 0.000 0.293 108 I C 0.907 176.968 176.117 -0.093 0.000 1.106 108 I CA -0.012 61.241 61.300 -0.077 0.000 1.248 108 I CB -0.027 37.904 38.000 -0.114 0.000 1.444 108 I HN 0.111 nan 8.210 nan 0.000 0.497 109 K N 5.192 125.546 120.400 -0.077 0.000 3.006 109 K HA 0.103 4.428 4.320 0.009 0.000 0.265 109 K C 0.443 176.977 176.600 -0.110 0.000 1.279 109 K CA -0.224 56.026 56.287 -0.062 0.000 1.229 109 K CB -0.334 32.147 32.500 -0.031 0.000 1.555 109 K HN 0.626 nan 8.250 nan 0.000 0.300 110 T N -1.941 112.487 114.554 -0.210 0.000 2.882 110 T HA 0.115 4.470 4.350 0.009 0.000 0.287 110 T C 1.055 175.636 174.700 -0.199 0.000 1.014 110 T CA -0.717 61.213 62.100 -0.283 0.000 1.049 110 T CB 1.332 69.897 68.868 -0.505 0.000 1.001 110 T HN 0.402 nan 8.240 nan 0.000 0.525 111 K N 0.225 120.539 120.400 -0.143 0.000 2.379 111 K HA 0.171 4.496 4.320 0.009 0.000 0.194 111 K C 0.065 176.662 176.600 -0.004 0.000 1.031 111 K CA -0.064 56.204 56.287 -0.032 0.000 1.037 111 K CB 0.171 32.671 32.500 0.000 0.000 0.824 111 K HN 0.550 nan 8.250 nan 0.000 0.516 112 Q N 0.502 120.228 119.800 -0.124 0.000 2.342 112 Q HA 0.477 4.822 4.340 0.009 0.000 0.267 112 Q C -1.316 174.539 176.000 -0.241 0.000 1.038 112 Q CA -0.673 55.099 55.803 -0.053 0.000 0.832 112 Q CB 1.683 30.421 28.738 -0.001 0.000 1.323 112 Q HN 0.001 nan 8.270 nan 0.000 0.448 113 F N 0.447 120.371 119.950 -0.044 0.000 2.523 113 F HA 0.882 5.414 4.527 0.009 0.000 0.329 113 F C -0.126 175.659 175.800 -0.025 0.000 1.061 113 F CA -0.894 57.077 58.000 -0.048 0.000 0.967 113 F CB 1.852 40.832 39.000 -0.034 0.000 1.218 113 F HN 0.570 nan 8.300 nan 0.000 0.480 114 A N 0.838 123.742 122.820 0.140 0.000 2.486 114 A HA 0.800 5.126 4.320 0.009 0.000 0.300 114 A C -1.200 176.430 177.584 0.077 0.000 1.048 114 A CA -0.747 51.342 52.037 0.087 0.000 0.696 114 A CB 0.932 19.958 19.000 0.045 0.000 1.278 114 A HN 1.025 nan 8.150 nan 0.000 0.405 115 A N 1.418 124.278 122.820 0.067 0.000 2.477 115 A HA 0.446 4.771 4.320 0.009 0.000 0.246 115 A C 1.137 178.738 177.584 0.029 0.000 1.078 115 A CA 0.253 52.327 52.037 0.062 0.000 0.770 115 A CB -0.417 18.627 19.000 0.074 0.000 1.011 115 A HN 1.752 nan 8.150 nan 0.000 0.494 116 I N -0.157 120.407 120.570 -0.010 0.000 2.928 116 I HA 0.019 4.194 4.170 0.009 0.000 0.266 116 I C 0.113 176.102 176.117 -0.213 0.000 1.234 116 I CA 0.516 61.745 61.300 -0.118 0.000 1.483 116 I CB -0.285 37.613 38.000 -0.170 0.000 1.097 116 I HN 0.525 nan 8.210 nan 0.000 0.455 117 H N 2.676 121.759 119.070 0.022 0.000 2.552 117 H HA 0.757 5.319 4.556 0.011 0.000 0.311 117 H C -0.508 174.829 175.328 0.014 0.000 1.071 117 H CA -0.165 55.894 56.048 0.018 0.000 1.307 117 H CB 1.503 31.275 29.762 0.016 0.000 1.416 117 H HN 0.415 nan 8.280 nan 0.000 0.464 118 A N 3.561 126.446 122.820 0.109 0.000 2.572 118 A HA 0.346 4.671 4.320 0.009 0.000 0.295 118 A C -0.270 177.349 177.584 0.058 0.000 1.072 118 A CA -0.861 51.217 52.037 0.068 0.000 0.691 118 A CB 1.800 20.822 19.000 0.037 0.000 1.291 118 A HN 0.694 nan 8.150 nan 0.000 0.404 119 E N 0.772 120.999 120.200 0.044 0.000 2.390 119 E HA 0.432 4.787 4.350 0.009 0.000 0.261 119 E C 0.553 177.169 176.600 0.028 0.000 1.076 119 E CA -0.025 56.397 56.400 0.037 0.000 0.905 119 E CB 1.099 30.818 29.700 0.031 0.000 0.984 119 E HN 0.832 nan 8.360 nan 0.000 0.427 120 A N 3.684 126.520 122.820 0.027 0.000 2.466 120 A HA 0.196 4.521 4.320 0.009 0.000 0.238 120 A C -2.106 175.489 177.584 0.019 0.000 1.074 120 A CA -1.086 50.963 52.037 0.019 0.000 0.774 120 A CB -0.428 18.587 19.000 0.024 0.000 1.015 120 A HN 0.341 nan 8.150 nan 0.000 0.498 121 P HA 0.044 nan 4.420 nan 0.000 0.263 121 P C -0.076 177.236 177.300 0.021 0.000 1.175 121 P CA 0.294 63.397 63.100 0.005 0.000 0.761 121 P CB 0.351 32.042 31.700 -0.014 0.000 0.794 122 E N 1.734 121.953 120.200 0.032 0.000 2.425 122 E HA -0.044 4.311 4.350 0.009 0.000 0.258 122 E C 0.939 177.591 176.600 0.087 0.000 1.151 122 E CA -0.115 56.327 56.400 0.071 0.000 0.958 122 E CB 0.018 29.760 29.700 0.070 0.000 0.968 122 E HN 0.410 nan 8.360 nan 0.000 0.451 123 F N 1.803 121.752 119.950 -0.000 0.000 2.120 123 F HA -0.266 4.266 4.527 0.008 0.000 0.300 123 F C 1.919 177.718 175.800 -0.003 0.000 1.095 123 F CA 2.002 60.001 58.000 -0.001 0.000 1.249 123 F CB -0.130 38.869 39.000 -0.001 0.000 0.995 123 F HN 0.292 nan 8.300 nan 0.000 0.480 124 V N -2.339 117.655 119.914 0.134 0.000 2.913 124 V HA -0.155 3.970 4.120 0.009 0.000 0.260 124 V C 1.463 177.527 176.094 -0.050 0.000 1.098 124 V CA 1.867 64.192 62.300 0.042 0.000 1.121 124 V CB -0.967 30.910 31.823 0.091 0.000 0.714 124 V HN 0.427 nan 8.190 nan 0.000 0.487 125 E N 0.172 120.340 120.200 -0.052 0.000 2.489 125 E HA 0.193 4.548 4.350 0.009 0.000 0.193 125 E C 0.400 176.944 176.600 -0.094 0.000 1.057 125 E CA -0.184 56.183 56.400 -0.055 0.000 0.866 125 E CB 0.072 29.756 29.700 -0.027 0.000 0.916 125 E HN 0.488 nan 8.360 nan 0.000 0.500 126 M N 0.908 120.408 119.600 -0.167 0.000 2.211 126 M HA 0.133 4.618 4.480 0.009 0.000 0.356 126 M C 0.385 176.585 176.300 -0.168 0.000 1.216 126 M CA -0.208 54.978 55.300 -0.190 0.000 1.134 126 M CB 1.165 33.577 32.600 -0.313 0.000 1.564 126 M HN -0.184 nan 8.290 nan 0.000 0.463 127 S N 1.582 117.209 115.700 -0.121 0.000 2.528 127 S HA 0.293 4.769 4.470 0.009 0.000 0.277 127 S C 0.975 175.509 174.600 -0.110 0.000 1.297 127 S CA -0.764 57.377 58.200 -0.098 0.000 1.052 127 S CB 0.442 63.601 63.200 -0.070 0.000 0.917 127 S HN 0.576 nan 8.310 nan 0.000 0.492 128 V N 1.840 121.695 119.914 -0.098 0.000 3.647 128 V HA 0.403 4.528 4.120 0.009 0.000 0.279 128 V C 0.336 176.396 176.094 -0.056 0.000 1.314 128 V CA -0.052 62.195 62.300 -0.088 0.000 1.125 128 V CB -0.558 31.217 31.823 -0.080 0.000 0.907 128 V HN 0.710 nan 8.190 nan 0.000 0.434 129 E N 1.380 121.550 120.200 -0.050 0.000 2.248 129 E HA 0.526 4.881 4.350 0.009 0.000 0.272 129 E C -0.947 175.633 176.600 -0.035 0.000 1.008 129 E CA -0.327 56.052 56.400 -0.035 0.000 0.856 129 E CB 1.600 31.283 29.700 -0.028 0.000 1.120 129 E HN 0.591 nan 8.360 nan 0.000 0.397 130 Q N 1.294 121.078 119.800 -0.026 0.000 2.333 130 Q HA 0.372 4.717 4.340 0.009 0.000 0.268 130 Q C -0.834 175.158 176.000 -0.013 0.000 1.007 130 Q CA -0.336 55.454 55.803 -0.023 0.000 0.810 130 Q CB 1.942 30.666 28.738 -0.022 0.000 1.264 130 Q HN 0.363 nan 8.270 nan 0.000 0.452 131 E N 2.075 122.269 120.200 -0.011 0.000 2.288 131 E HA 0.430 4.785 4.350 0.009 0.000 0.268 131 E C -0.592 176.014 176.600 0.010 0.000 0.885 131 E CA -0.793 55.608 56.400 0.002 0.000 0.767 131 E CB 2.263 31.960 29.700 -0.005 0.000 1.220 131 E HN 0.432 nan 8.360 nan 0.000 0.427 132 I N 2.180 122.771 120.570 0.034 0.000 2.710 132 I HA -0.066 4.109 4.170 0.009 0.000 0.286 132 I C -0.079 176.050 176.117 0.021 0.000 1.181 132 I CA -0.105 61.227 61.300 0.054 0.000 1.430 132 I CB 0.176 38.235 38.000 0.098 0.000 1.367 132 I HN 0.313 nan 8.210 nan 0.000 0.577 133 L N 8.439 129.672 121.223 0.016 0.000 2.282 133 L HA 0.262 4.607 4.340 0.009 0.000 0.287 133 L C -0.136 176.743 176.870 0.016 0.000 1.075 133 L CA -0.183 54.615 54.840 -0.070 0.000 0.839 133 L CB 0.814 42.834 42.059 -0.065 0.000 1.219 133 L HN 0.271 nan 8.230 nan 0.000 0.434 134 V N 4.609 124.582 119.914 0.099 0.000 2.540 134 V HA 0.044 4.169 4.120 0.009 0.000 0.297 134 V C 1.534 177.746 176.094 0.197 0.000 1.024 134 V CA 0.889 63.286 62.300 0.163 0.000 1.105 134 V CB 0.619 32.556 31.823 0.189 0.000 0.938 134 V HN 0.962 nan 8.190 nan 0.000 0.482 135 T N 0.278 114.843 114.554 0.017 0.000 3.014 135 T HA 0.261 4.616 4.350 0.009 0.000 0.250 135 T C 1.452 176.123 174.700 -0.048 0.000 1.060 135 T CA 0.745 62.819 62.100 -0.042 0.000 1.040 135 T CB 0.414 69.145 68.868 -0.229 0.000 0.971 135 T HN 1.544 nan 8.240 nan 0.000 0.497 136 G N 1.611 110.392 108.800 -0.032 0.000 2.162 136 G HA2 -0.198 3.767 3.960 0.009 0.000 0.260 136 G HA3 -0.198 3.767 3.960 0.009 0.000 0.260 136 G C -0.010 174.880 174.900 -0.017 0.000 0.976 136 G CA 0.213 45.294 45.100 -0.032 0.000 0.655 136 G HN 0.672 nan 8.290 nan 0.000 0.533 137 I N 0.562 121.121 120.570 -0.019 0.000 2.328 137 I HA 0.266 4.441 4.170 0.009 0.000 0.287 137 I C 1.540 177.683 176.117 0.043 0.000 1.012 137 I CA -0.821 60.509 61.300 0.050 0.000 1.195 137 I CB 1.376 39.414 38.000 0.063 0.000 1.350 137 I HN -0.031 nan 8.210 nan 0.000 0.464 138 K N 3.485 123.922 120.400 0.061 0.000 2.020 138 K HA -0.186 4.139 4.320 0.009 0.000 0.212 138 K C 1.810 178.440 176.600 0.050 0.000 1.050 138 K CA 1.693 58.028 56.287 0.080 0.000 0.929 138 K CB -0.133 32.423 32.500 0.094 0.000 0.714 138 K HN 0.584 nan 8.250 nan 0.000 0.443 139 V N 0.516 120.453 119.914 0.038 0.000 2.255 139 V HA -0.251 3.874 4.120 0.009 0.000 0.247 139 V C 2.323 178.418 176.094 0.002 0.000 1.051 139 V CA 1.804 64.103 62.300 -0.002 0.000 1.018 139 V CB -0.883 30.962 31.823 0.037 0.000 0.641 139 V HN 0.062 nan 8.190 nan 0.000 0.445 140 V N 0.563 120.485 119.914 0.012 0.000 2.261 140 V HA -0.242 3.883 4.120 0.009 0.000 0.246 140 V C 2.453 178.538 176.094 -0.015 0.000 1.047 140 V CA 2.427 64.715 62.300 -0.020 0.000 1.015 140 V CB -0.820 30.905 31.823 -0.163 0.000 0.642 140 V HN 0.499 nan 8.190 nan 0.000 0.446 141 D N -0.276 120.111 120.400 -0.021 0.000 2.117 141 D HA -0.144 4.501 4.640 0.009 0.000 0.197 141 D C 1.905 178.290 176.300 0.142 0.000 0.987 141 D CA 1.255 55.279 54.000 0.039 0.000 0.829 141 D CB -0.249 40.563 40.800 0.021 0.000 0.961 141 D HN 0.340 nan 8.370 nan 0.000 0.460 142 L N -0.128 121.142 121.223 0.077 0.000 2.023 142 L HA -0.019 4.326 4.340 0.009 0.000 0.205 142 L C 2.056 179.027 176.870 0.168 0.000 1.073 142 L CA 1.449 56.350 54.840 0.102 0.000 0.745 142 L CB -0.240 41.742 42.059 -0.129 0.000 0.900 142 L HN -0.014 nan 8.230 nan 0.000 0.435 143 L N -1.038 120.207 121.223 0.037 0.000 2.253 143 L HA 0.277 4.622 4.340 0.009 0.000 0.205 143 L C 0.867 177.765 176.870 0.047 0.000 1.078 143 L CA 0.534 55.382 54.840 0.013 0.000 0.805 143 L CB -0.179 41.855 42.059 -0.042 0.000 0.963 143 L HN 0.266 nan 8.230 nan 0.000 0.459 144 A N 0.561 123.427 122.820 0.077 0.000 3.370 144 A HA 0.448 4.774 4.320 0.009 0.000 0.295 144 A C -2.609 175.076 177.584 0.169 0.000 1.030 144 A CA -0.966 51.138 52.037 0.112 0.000 0.883 144 A CB -0.198 18.879 19.000 0.127 0.000 1.191 144 A HN -0.128 nan 8.150 nan 0.000 0.507 145 P HA 0.201 nan 4.420 nan 0.000 0.274 145 P C -0.931 176.544 177.300 0.293 0.000 1.231 145 P CA 0.095 63.290 63.100 0.159 0.000 0.790 145 P CB 0.621 32.403 31.700 0.136 0.000 0.951 146 Y N 0.195 120.512 120.300 0.030 0.000 2.319 146 Y HA 0.358 4.913 4.550 0.009 0.000 0.328 146 Y C 1.155 177.046 175.900 -0.016 0.000 1.133 146 Y CA -1.388 56.712 58.100 -0.001 0.000 1.265 146 Y CB -0.119 38.332 38.460 -0.014 0.000 1.218 146 Y HN 0.377 nan 8.280 nan 0.000 0.508 147 A N 4.299 127.180 122.820 0.102 0.000 2.328 147 A HA 0.300 4.625 4.320 0.009 0.000 0.284 147 A C 0.271 177.855 177.584 0.000 0.000 1.160 147 A CA -0.890 51.166 52.037 0.033 0.000 0.818 147 A CB 0.075 19.075 19.000 -0.000 0.000 1.087 147 A HN 0.761 nan 8.150 nan 0.000 0.504 148 K N 1.464 121.853 120.400 -0.017 0.000 2.453 148 K HA 0.297 4.622 4.320 0.009 0.000 0.280 148 K C 1.195 177.762 176.600 -0.055 0.000 1.045 148 K CA 1.382 57.638 56.287 -0.051 0.000 1.059 148 K CB -0.066 32.395 32.500 -0.064 0.000 0.901 148 K HN 1.540 nan 8.250 nan 0.000 0.475 149 G N 2.497 111.257 108.800 -0.067 0.000 2.148 149 G HA2 -0.229 3.737 3.960 0.009 0.000 0.254 149 G HA3 -0.229 3.737 3.960 0.009 0.000 0.254 149 G C 0.305 175.161 174.900 -0.073 0.000 0.981 149 G CA -0.027 45.032 45.100 -0.068 0.000 0.670 149 G HN 0.900 nan 8.290 nan 0.000 0.528 150 G N -0.932 107.817 108.800 -0.085 0.000 2.511 150 G HA2 0.672 4.637 3.960 0.009 0.000 0.316 150 G HA3 0.672 4.637 3.960 0.009 0.000 0.316 150 G C -0.497 174.315 174.900 -0.147 0.000 1.210 150 G CA -0.736 44.307 45.100 -0.095 0.000 0.969 150 G HN 0.306 nan 8.290 nan 0.000 0.492 151 K N -0.606 119.705 120.400 -0.148 0.000 2.244 151 K HA 0.581 4.906 4.320 0.009 0.000 0.260 151 K C -0.928 175.526 176.600 -0.244 0.000 0.951 151 K CA -0.271 55.898 56.287 -0.196 0.000 0.826 151 K CB 1.994 34.405 32.500 -0.148 0.000 1.108 151 K HN 0.236 nan 8.250 nan 0.000 0.433 152 I N 1.496 121.869 120.570 -0.328 0.000 2.389 152 I HA 0.332 4.508 4.170 0.009 0.000 0.288 152 I C 0.466 176.425 176.117 -0.264 0.000 0.999 152 I CA -0.478 60.611 61.300 -0.352 0.000 1.129 152 I CB 2.081 39.678 38.000 -0.671 0.000 1.288 152 I HN 0.622 nan 8.210 nan 0.000 0.444 153 G N 6.330 115.009 108.800 -0.202 0.000 2.365 153 G HA2 0.457 4.422 3.960 0.009 0.000 0.293 153 G HA3 0.457 4.422 3.960 0.009 0.000 0.293 153 G C -0.778 174.039 174.900 -0.138 0.000 1.128 153 G CA -0.322 44.620 45.100 -0.263 0.000 0.971 153 G HN 0.475 nan 8.290 nan 0.000 0.422 154 L N 3.835 124.928 121.223 -0.216 0.000 2.260 154 L HA 0.664 5.009 4.340 0.009 0.000 0.289 154 L C -1.088 175.668 176.870 -0.189 0.000 1.057 154 L CA -0.900 53.915 54.840 -0.042 0.000 0.811 154 L CB 0.132 42.215 42.059 0.039 0.000 1.184 154 L HN 0.324 nan 8.230 nan 0.000 0.429 155 F N 4.250 124.248 119.950 0.081 0.000 2.422 155 F HA 0.786 5.318 4.527 0.009 0.000 0.333 155 F C 1.126 176.980 175.800 0.090 0.000 1.095 155 F CA 0.436 58.486 58.000 0.084 0.000 1.038 155 F CB 1.977 41.026 39.000 0.081 0.000 1.156 155 F HN 0.627 nan 8.300 nan 0.000 0.483 156 G N 0.295 109.239 108.800 0.240 0.000 4.142 156 G HA2 0.391 4.356 3.960 0.009 0.000 0.131 156 G HA3 0.391 4.356 3.960 0.009 0.000 0.131 156 G C 0.411 175.396 174.900 0.141 0.000 2.153 156 G CA 0.355 45.562 45.100 0.179 0.000 0.993 156 G HN 1.578 nan 8.290 nan 0.000 0.294 157 G N 0.388 109.265 108.800 0.127 0.000 2.503 157 G HA2 0.339 4.304 3.960 0.009 0.000 0.235 157 G HA3 0.339 4.304 3.960 0.009 0.000 0.235 157 G C 0.547 175.504 174.900 0.095 0.000 1.179 157 G CA 1.367 46.535 45.100 0.113 0.000 0.944 157 G HN 2.222 nan 8.290 nan 0.000 0.580 158 A N -0.376 122.493 122.820 0.082 0.000 2.293 158 A HA 0.776 5.101 4.320 0.009 0.000 0.302 158 A C 1.774 179.395 177.584 0.061 0.000 1.119 158 A CA 1.596 53.671 52.037 0.063 0.000 0.823 158 A CB 0.553 19.584 19.000 0.051 0.000 1.097 158 A HN 2.935 nan 8.150 nan 0.000 0.491 159 G N -0.483 108.345 108.800 0.048 0.000 2.143 159 G HA2 -0.084 3.881 3.960 0.009 0.000 0.248 159 G HA3 -0.084 3.881 3.960 0.009 0.000 0.248 159 G C 0.439 175.381 174.900 0.071 0.000 0.991 159 G CA 0.932 46.060 45.100 0.048 0.000 0.689 159 G HN 2.227 nan 8.290 nan 0.000 0.522 160 V N -3.821 116.142 119.914 0.081 0.000 3.111 160 V HA 0.700 4.825 4.120 0.009 0.000 0.343 160 V C 1.437 177.604 176.094 0.122 0.000 1.417 160 V CA 0.612 62.980 62.300 0.114 0.000 1.142 160 V CB 0.074 31.966 31.823 0.115 0.000 1.114 160 V HN 2.100 nan 8.190 nan 0.000 0.520 161 G N 1.641 110.487 108.800 0.078 0.000 2.273 161 G HA2 -0.336 3.629 3.960 0.009 0.000 0.280 161 G HA3 -0.336 3.629 3.960 0.009 0.000 0.280 161 G C 0.900 175.863 174.900 0.105 0.000 1.047 161 G CA 0.960 46.097 45.100 0.061 0.000 0.869 161 G HN 0.662 nan 8.290 nan 0.000 0.502 162 K N -0.520 119.939 120.400 0.098 0.000 2.001 162 K HA -0.091 4.234 4.320 0.009 0.000 0.208 162 K C 2.469 179.129 176.600 0.100 0.000 1.048 162 K CA 2.016 58.374 56.287 0.120 0.000 0.932 162 K CB -0.488 32.081 32.500 0.115 0.000 0.715 162 K HN 0.355 nan 8.250 nan 0.000 0.437 163 T N 1.369 115.955 114.554 0.052 0.000 2.720 163 T HA -0.111 4.244 4.350 0.009 0.000 0.268 163 T C 1.976 176.683 174.700 0.012 0.000 1.037 163 T CA 1.496 63.599 62.100 0.006 0.000 1.144 163 T CB -0.218 68.633 68.868 -0.029 0.000 0.864 163 T HN 0.013 nan 8.240 nan 0.000 0.444 164 V N 1.411 121.351 119.914 0.042 0.000 2.343 164 V HA -0.123 4.002 4.120 0.009 0.000 0.247 164 V C 2.382 178.585 176.094 0.181 0.000 1.051 164 V CA 1.368 63.725 62.300 0.096 0.000 1.036 164 V CB -0.684 31.192 31.823 0.089 0.000 0.654 164 V HN 0.325 nan 8.190 nan 0.000 0.451 165 L N -0.219 121.141 121.223 0.228 0.000 2.017 165 L HA -0.126 4.219 4.340 0.009 0.000 0.208 165 L C 2.176 179.130 176.870 0.141 0.000 1.073 165 L CA 1.848 56.844 54.840 0.259 0.000 0.745 165 L CB -0.415 41.825 42.059 0.300 0.000 0.894 165 L HN 0.197 nan 8.230 nan 0.000 0.432 166 I N -0.969 119.662 120.570 0.102 0.000 2.127 166 I HA -0.380 3.795 4.170 0.009 0.000 0.241 166 I C 2.481 178.531 176.117 -0.111 0.000 1.075 166 I CA 1.956 63.227 61.300 -0.049 0.000 1.334 166 I CB -0.282 37.565 38.000 -0.255 0.000 1.040 166 I HN 0.314 nan 8.210 nan 0.000 0.405 167 M N -0.406 119.143 119.600 -0.086 0.000 2.159 167 M HA -0.226 4.259 4.480 0.009 0.000 0.263 167 M C 2.230 178.500 176.300 -0.050 0.000 1.063 167 M CA 1.620 56.881 55.300 -0.066 0.000 1.110 167 M CB -0.448 32.126 32.600 -0.043 0.000 1.374 167 M HN 0.141 nan 8.290 nan 0.000 0.411 168 E N 1.035 121.175 120.200 -0.099 0.000 2.106 168 E HA -0.089 4.266 4.350 0.009 0.000 0.192 168 E C 1.827 178.323 176.600 -0.173 0.000 0.984 168 E CA 1.020 57.261 56.400 -0.266 0.000 0.806 168 E CB -0.221 29.003 29.700 -0.793 0.000 0.750 168 E HN 0.439 nan 8.360 nan 0.000 0.458 169 L N 0.074 121.281 121.223 -0.028 0.000 2.012 169 L HA -0.192 4.153 4.340 0.009 0.000 0.210 169 L C 2.418 179.387 176.870 0.166 0.000 1.073 169 L CA 1.237 56.150 54.840 0.121 0.000 0.748 169 L CB -0.413 41.865 42.059 0.364 0.000 0.891 169 L HN 0.241 nan 8.230 nan 0.000 0.431 170 I N -0.133 120.558 120.570 0.202 0.000 2.163 170 I HA -0.344 3.831 4.170 0.009 0.000 0.243 170 I C 2.290 178.455 176.117 0.080 0.000 1.085 170 I CA 1.804 63.212 61.300 0.180 0.000 1.347 170 I CB -0.427 37.656 38.000 0.137 0.000 1.044 170 I HN 0.367 nan 8.210 nan 0.000 0.408 171 N N 1.021 119.734 118.700 0.021 0.000 2.069 171 N HA -0.212 4.533 4.740 0.009 0.000 0.191 171 N C 1.635 177.127 175.510 -0.030 0.000 1.031 171 N CA 1.797 54.839 53.050 -0.014 0.000 0.852 171 N CB -0.008 38.450 38.487 -0.048 0.000 1.018 171 N HN 0.192 nan 8.380 nan 0.000 0.423 172 N N -0.381 118.291 118.700 -0.047 0.000 2.216 172 N HA -0.060 4.686 4.740 0.009 0.000 0.183 172 N C 1.581 177.080 175.510 -0.019 0.000 1.017 172 N CA 0.666 53.681 53.050 -0.058 0.000 0.861 172 N CB -0.373 38.061 38.487 -0.088 0.000 0.986 172 N HN 0.101 nan 8.380 nan 0.000 0.428 173 V N 1.081 121.029 119.914 0.056 0.000 2.427 173 V HA -0.118 4.007 4.120 0.009 0.000 0.248 173 V C 2.271 178.394 176.094 0.048 0.000 1.051 173 V CA 1.640 64.028 62.300 0.146 0.000 1.048 173 V CB -0.871 31.038 31.823 0.144 0.000 0.666 173 V HN 0.288 nan 8.190 nan 0.000 0.456 174 A N -0.291 122.521 122.820 -0.013 0.000 1.873 174 A HA -0.234 4.092 4.320 0.009 0.000 0.215 174 A C 2.308 179.829 177.584 -0.105 0.000 1.186 174 A CA 2.090 54.073 52.037 -0.091 0.000 0.616 174 A CB -0.445 18.520 19.000 -0.059 0.000 0.823 174 A HN 0.477 nan 8.150 nan 0.000 0.442 175 K N -0.605 119.743 120.400 -0.086 0.000 2.002 175 K HA -0.085 4.240 4.320 0.009 0.000 0.209 175 K C 2.108 178.616 176.600 -0.154 0.000 1.048 175 K CA 1.407 57.633 56.287 -0.102 0.000 0.930 175 K CB -0.268 32.181 32.500 -0.086 0.000 0.714 175 K HN 0.408 nan 8.250 nan 0.000 0.438 176 A N -0.406 122.272 122.820 -0.236 0.000 2.021 176 A HA -0.050 4.275 4.320 0.009 0.000 0.216 176 A C 1.095 178.322 177.584 -0.594 0.000 1.163 176 A CA 0.955 52.722 52.037 -0.450 0.000 0.676 176 A CB -0.127 18.501 19.000 -0.620 0.000 0.818 176 A HN 0.368 nan 8.150 nan 0.000 0.453 177 H N -2.230 116.800 119.070 -0.066 0.000 3.233 177 H HA 0.256 4.818 4.556 0.009 0.000 0.263 177 H C 1.434 176.699 175.328 -0.105 0.000 1.168 177 H CA 0.352 56.359 56.048 -0.069 0.000 1.159 177 H CB 0.276 30.005 29.762 -0.054 0.000 1.593 177 H HN 0.567 nan 8.280 nan 0.000 0.580 178 G N 1.425 110.182 108.800 -0.072 0.000 2.180 178 G HA2 -0.260 3.705 3.960 0.009 0.000 0.263 178 G HA3 -0.260 3.705 3.960 0.009 0.000 0.263 178 G C 0.720 175.444 174.900 -0.293 0.000 0.989 178 G CA 0.419 45.414 45.100 -0.175 0.000 0.692 178 G HN 0.674 nan 8.290 nan 0.000 0.526 179 G N -0.843 107.836 108.800 -0.201 0.000 2.332 179 G HA2 0.609 4.574 3.960 0.009 0.000 0.310 179 G HA3 0.609 4.574 3.960 0.009 0.000 0.310 179 G C -0.102 174.634 174.900 -0.273 0.000 1.123 179 G CA -0.769 44.195 45.100 -0.226 0.000 0.873 179 G HN 0.278 nan 8.290 nan 0.000 0.460 180 Y N 0.616 120.777 120.300 -0.233 0.000 2.282 180 Y HA 0.476 5.031 4.550 0.009 0.000 0.335 180 Y C 1.175 177.013 175.900 -0.104 0.000 1.335 180 Y CA -0.091 57.836 58.100 -0.289 0.000 1.529 180 Y CB 1.416 39.421 38.460 -0.760 0.000 1.429 180 Y HN 0.422 nan 8.280 nan 0.000 0.563 181 S N -0.000 115.818 115.700 0.198 0.000 2.568 181 S HA 0.672 5.148 4.470 0.009 0.000 0.293 181 S C -1.429 173.341 174.600 0.282 0.000 1.089 181 S CA -0.808 57.545 58.200 0.255 0.000 0.945 181 S CB 1.908 65.321 63.200 0.354 0.000 1.077 181 S HN 0.289 nan 8.310 nan 0.000 0.485 182 V N 2.550 122.651 119.914 0.312 0.000 2.531 182 V HA 0.507 4.632 4.120 0.009 0.000 0.301 182 V C -1.182 175.140 176.094 0.379 0.000 1.034 182 V CA -0.689 61.784 62.300 0.289 0.000 0.865 182 V CB 1.361 33.310 31.823 0.211 0.000 0.995 182 V HN 0.853 nan 8.190 nan 0.000 0.424 183 F N 4.082 124.156 119.950 0.206 0.000 2.388 183 F HA 0.763 5.295 4.527 0.009 0.000 0.358 183 F C 0.376 176.277 175.800 0.168 0.000 1.122 183 F CA -0.491 57.637 58.000 0.213 0.000 1.056 183 F CB 1.050 40.114 39.000 0.106 0.000 1.155 183 F HN 0.575 nan 8.300 nan 0.000 0.461 184 A N 4.891 127.591 122.820 -0.200 0.000 2.273 184 A HA 0.596 4.922 4.320 0.009 0.000 0.320 184 A C 0.118 177.603 177.584 -0.164 0.000 1.358 184 A CA -0.334 51.663 52.037 -0.067 0.000 0.910 184 A CB 0.046 19.003 19.000 -0.072 0.000 1.159 184 A HN 0.998 nan 8.150 nan 0.000 0.526 185 G N 1.753 110.697 108.800 0.240 0.000 2.393 185 G HA2 0.485 4.450 3.960 0.009 0.000 0.311 185 G HA3 0.485 4.450 3.960 0.009 0.000 0.311 185 G C -0.452 174.518 174.900 0.118 0.000 1.067 185 G CA -0.151 45.102 45.100 0.255 0.000 1.000 185 G HN 0.653 nan 8.290 nan 0.000 0.422 186 V N 2.594 122.538 119.914 0.050 0.000 2.350 186 V HA 0.610 4.735 4.120 0.009 0.000 0.276 186 V C 1.163 177.279 176.094 0.038 0.000 1.028 186 V CA 0.359 62.692 62.300 0.055 0.000 0.860 186 V CB 0.768 32.635 31.823 0.073 0.000 0.990 186 V HN 1.318 nan 8.190 nan 0.000 0.453 187 G N 3.728 112.542 108.800 0.023 0.000 2.314 187 G HA2 -0.243 3.722 3.960 0.009 0.000 0.292 187 G HA3 -0.243 3.722 3.960 0.009 0.000 0.292 187 G C -0.026 174.864 174.900 -0.016 0.000 1.059 187 G CA 0.389 45.489 45.100 0.000 0.000 0.982 187 G HN 0.879 nan 8.290 nan 0.000 0.505 188 E N 0.076 120.249 120.200 -0.045 0.000 2.376 188 E HA 0.375 4.730 4.350 0.009 0.000 0.266 188 E C 1.088 177.619 176.600 -0.116 0.000 1.009 188 E CA -0.259 56.067 56.400 -0.124 0.000 0.902 188 E CB 0.319 29.813 29.700 -0.343 0.000 0.972 188 E HN 0.492 nan 8.360 nan 0.000 0.439 189 R N 3.636 124.079 120.500 -0.096 0.000 2.316 189 R HA 0.099 4.444 4.340 0.009 0.000 0.314 189 R C 1.039 177.283 176.300 -0.093 0.000 1.069 189 R CA 0.080 56.138 56.100 -0.069 0.000 0.959 189 R CB 0.481 30.758 30.300 -0.038 0.000 0.987 189 R HN 0.666 nan 8.270 nan 0.000 0.446 190 T N 2.208 116.723 114.554 -0.064 0.000 2.653 190 T HA -0.281 4.074 4.350 0.009 0.000 0.268 190 T C 1.767 176.457 174.700 -0.017 0.000 1.035 190 T CA 1.671 63.746 62.100 -0.043 0.000 1.154 190 T CB -0.160 68.704 68.868 -0.006 0.000 0.862 190 T HN 0.572 nan 8.240 nan 0.000 0.441 191 R N 0.996 121.492 120.500 -0.007 0.000 2.073 191 R HA -0.126 4.219 4.340 0.009 0.000 0.234 191 R C 2.277 178.585 176.300 0.013 0.000 1.134 191 R CA 1.793 57.901 56.100 0.014 0.000 0.952 191 R CB -0.137 30.170 30.300 0.011 0.000 0.850 191 R HN 0.530 nan 8.270 nan 0.000 0.433 192 E N -1.064 119.125 120.200 -0.018 0.000 2.152 192 E HA -0.073 4.282 4.350 0.009 0.000 0.192 192 E C 1.869 178.436 176.600 -0.054 0.000 0.983 192 E CA 0.871 57.256 56.400 -0.025 0.000 0.818 192 E CB -0.075 29.607 29.700 -0.030 0.000 0.758 192 E HN 0.583 nan 8.360 nan 0.000 0.467 193 G N 1.439 110.158 108.800 -0.136 0.000 2.408 193 G HA2 -0.322 3.643 3.960 0.009 0.000 0.217 193 G HA3 -0.322 3.643 3.960 0.009 0.000 0.217 193 G C 1.428 176.403 174.900 0.124 0.000 1.150 193 G CA 0.970 45.931 45.100 -0.233 0.000 0.776 193 G HN 0.184 nan 8.290 nan 0.000 0.542 194 N N 0.855 119.633 118.700 0.130 0.000 2.084 194 N HA -0.112 4.633 4.740 0.009 0.000 0.190 194 N C 1.704 177.387 175.510 0.288 0.000 1.030 194 N CA 1.790 54.984 53.050 0.240 0.000 0.849 194 N CB -0.164 38.447 38.487 0.207 0.000 1.012 194 N HN 0.120 nan 8.380 nan 0.000 0.423 195 D N -0.059 120.447 120.400 0.176 0.000 2.117 195 D HA -0.129 4.516 4.640 0.009 0.000 0.198 195 D C 1.958 178.324 176.300 0.110 0.000 0.982 195 D CA 0.513 54.602 54.000 0.149 0.000 0.828 195 D CB -0.488 40.356 40.800 0.073 0.000 0.967 195 D HN 0.272 nan 8.370 nan 0.000 0.464 196 L N 0.345 121.603 121.223 0.059 0.000 2.012 196 L HA -0.232 4.114 4.340 0.009 0.000 0.210 196 L C 2.284 179.169 176.870 0.026 0.000 1.073 196 L CA 1.596 56.427 54.840 -0.014 0.000 0.748 196 L CB -0.920 41.067 42.059 -0.121 0.000 0.891 196 L HN 0.012 nan 8.230 nan 0.000 0.431 197 Y N 0.224 120.485 120.300 -0.066 0.000 2.081 197 Y HA -0.331 4.224 4.550 0.009 0.000 0.280 197 Y C 2.616 178.398 175.900 -0.198 0.000 1.163 197 Y CA 2.440 60.442 58.100 -0.163 0.000 1.135 197 Y CB -0.841 37.489 38.460 -0.216 0.000 0.970 197 Y HN 0.492 nan 8.280 nan 0.000 0.498 198 H N -0.621 118.376 119.070 -0.123 0.000 2.428 198 H HA -0.045 4.516 4.556 0.009 0.000 0.296 198 H C 2.127 177.386 175.328 -0.115 0.000 1.062 198 H CA 1.359 57.279 56.048 -0.214 0.000 1.350 198 H CB -0.009 29.688 29.762 -0.108 0.000 1.403 198 H HN 0.452 nan 8.280 nan 0.000 0.533 199 E N 0.219 120.449 120.200 0.051 0.000 2.110 199 E HA -0.181 4.174 4.350 0.009 0.000 0.193 199 E C 1.802 178.399 176.600 -0.006 0.000 0.988 199 E CA 1.026 57.450 56.400 0.040 0.000 0.804 199 E CB -0.003 29.709 29.700 0.020 0.000 0.745 199 E HN 0.528 nan 8.360 nan 0.000 0.458 200 M N -0.039 119.524 119.600 -0.061 0.000 2.288 200 M HA -0.074 4.411 4.480 0.009 0.000 0.266 200 M C 2.173 178.419 176.300 -0.090 0.000 1.072 200 M CA 0.936 56.192 55.300 -0.074 0.000 1.132 200 M CB -0.005 32.547 32.600 -0.080 0.000 1.386 200 M HN 0.110 nan 8.290 nan 0.000 0.432 201 I N 0.028 120.502 120.570 -0.160 0.000 2.202 201 I HA -0.281 3.894 4.170 0.009 0.000 0.242 201 I C 2.425 178.496 176.117 -0.077 0.000 1.091 201 I CA 1.438 62.641 61.300 -0.162 0.000 1.368 201 I CB -0.323 37.513 38.000 -0.274 0.000 1.058 201 I HN 0.327 nan 8.210 nan 0.000 0.410 202 E N 0.593 120.769 120.200 -0.039 0.000 2.110 202 E HA -0.219 4.136 4.350 0.009 0.000 0.193 202 E C 2.214 178.815 176.600 0.002 0.000 0.988 202 E CA 1.577 57.969 56.400 -0.013 0.000 0.804 202 E CB 0.089 29.805 29.700 0.026 0.000 0.745 202 E HN 0.528 nan 8.360 nan 0.000 0.458 203 S N -1.439 114.273 115.700 0.021 0.000 2.436 203 S HA 0.069 4.544 4.470 0.009 0.000 0.228 203 S C 1.672 176.274 174.600 0.004 0.000 1.014 203 S CA 0.762 58.981 58.200 0.032 0.000 0.950 203 S CB 0.398 63.621 63.200 0.038 0.000 0.784 203 S HN 0.462 nan 8.310 nan 0.000 0.504 204 G N 0.471 109.262 108.800 -0.015 0.000 2.176 204 G HA2 -0.320 3.645 3.960 0.009 0.000 0.232 204 G HA3 -0.320 3.645 3.960 0.009 0.000 0.232 204 G C 0.870 175.763 174.900 -0.012 0.000 0.986 204 G CA 0.497 45.586 45.100 -0.018 0.000 0.643 204 G HN 1.379 nan 8.290 nan 0.000 0.522 205 V N -1.506 118.401 119.914 -0.012 0.000 2.759 205 V HA 0.415 4.541 4.120 0.009 0.000 0.256 205 V C 1.289 177.381 176.094 -0.003 0.000 1.080 205 V CA 1.315 63.615 62.300 -0.001 0.000 1.101 205 V CB -0.245 31.577 31.823 -0.002 0.000 0.698 205 V HN 0.469 nan 8.190 nan 0.000 0.477 206 I N 1.663 122.218 120.570 -0.025 0.000 2.474 206 I HA 0.460 4.635 4.170 0.009 0.000 0.294 206 I C -0.582 175.510 176.117 -0.041 0.000 1.005 206 I CA -0.291 60.992 61.300 -0.029 0.000 1.113 206 I CB 1.730 39.707 38.000 -0.038 0.000 1.289 206 I HN 0.155 nan 8.210 nan 0.000 0.436 207 N N 6.386 125.068 118.700 -0.029 0.000 2.399 207 N HA 0.356 5.101 4.740 0.009 0.000 0.284 207 N C 0.244 175.739 175.510 -0.025 0.000 1.025 207 N CA -0.415 52.617 53.050 -0.030 0.000 0.885 207 N CB 2.085 40.561 38.487 -0.018 0.000 1.339 207 N HN 0.579 nan 8.380 nan 0.000 0.487 208 L N 2.941 124.145 121.223 -0.031 0.000 2.313 208 L HA 0.023 4.368 4.340 0.009 0.000 0.214 208 L C 1.692 178.555 176.870 -0.011 0.000 1.119 208 L CA 0.936 55.766 54.840 -0.017 0.000 0.809 208 L CB 0.066 42.113 42.059 -0.020 0.000 0.933 208 L HN 0.404 nan 8.230 nan 0.000 0.449 209 K N -0.388 120.004 120.400 -0.014 0.000 2.284 209 K HA 0.021 4.346 4.320 0.009 0.000 0.198 209 K C 0.203 176.799 176.600 -0.008 0.000 1.048 209 K CA 0.531 56.812 56.287 -0.010 0.000 0.987 209 K CB 0.158 32.651 32.500 -0.012 0.000 0.800 209 K HN 0.372 nan 8.250 nan 0.000 0.486 210 D N -1.315 119.080 120.400 -0.008 0.000 2.784 210 D HA 0.307 4.952 4.640 0.009 0.000 0.256 210 D C -0.318 175.978 176.300 -0.007 0.000 1.129 210 D CA -0.874 53.123 54.000 -0.005 0.000 1.102 210 D CB 0.416 41.215 40.800 -0.002 0.000 1.330 210 D HN -0.130 nan 8.370 nan 0.000 0.626 211 A N -0.888 121.931 122.820 -0.002 0.000 2.500 211 A HA 0.283 4.608 4.320 0.009 0.000 0.267 211 A C 1.048 178.633 177.584 0.002 0.000 1.290 211 A CA 0.391 52.425 52.037 -0.006 0.000 0.928 211 A CB -0.902 18.098 19.000 0.000 0.000 1.066 211 A HN 0.570 nan 8.150 nan 0.000 0.516 212 T N -2.059 112.501 114.554 0.010 0.000 3.278 212 T HA 0.186 4.542 4.350 0.009 0.000 0.251 212 T C 0.457 175.173 174.700 0.028 0.000 1.039 212 T CA 0.086 62.204 62.100 0.032 0.000 0.935 212 T CB -0.555 68.329 68.868 0.026 0.000 1.034 212 T HN 0.115 nan 8.240 nan 0.000 0.575 213 S N 1.694 117.389 115.700 -0.008 0.000 2.533 213 S HA 0.214 4.689 4.470 0.009 0.000 0.282 213 S C 1.016 175.606 174.600 -0.017 0.000 1.304 213 S CA -0.536 57.653 58.200 -0.019 0.000 1.063 213 S CB 0.998 64.172 63.200 -0.042 0.000 0.881 213 S HN 0.498 nan 8.310 nan 0.000 0.493 214 K N 1.164 121.592 120.400 0.047 0.000 2.361 214 K HA 0.155 4.480 4.320 0.009 0.000 0.194 214 K C -0.300 176.365 176.600 0.109 0.000 1.032 214 K CA 0.325 56.706 56.287 0.157 0.000 1.048 214 K CB 0.421 33.013 32.500 0.154 0.000 0.842 214 K HN 0.441 nan 8.250 nan 0.000 0.526 215 V N 0.336 120.277 119.914 0.045 0.000 2.709 215 V HA 0.602 4.727 4.120 0.009 0.000 0.308 215 V C -0.682 175.440 176.094 0.046 0.000 1.062 215 V CA -1.503 60.845 62.300 0.081 0.000 0.901 215 V CB 1.582 33.461 31.823 0.093 0.000 1.003 215 V HN 0.011 nan 8.190 nan 0.000 0.425 216 A N 5.072 127.946 122.820 0.090 0.000 2.301 216 A HA 0.870 5.195 4.320 0.009 0.000 0.312 216 A C -0.582 177.045 177.584 0.071 0.000 1.182 216 A CA -0.538 51.533 52.037 0.056 0.000 0.826 216 A CB 0.620 19.670 19.000 0.084 0.000 1.134 216 A HN 0.859 nan 8.150 nan 0.000 0.501 217 L N 2.597 123.802 121.223 -0.030 0.000 2.317 217 L HA 0.622 4.967 4.340 0.009 0.000 0.281 217 L C -0.924 175.861 176.870 -0.142 0.000 1.024 217 L CA -0.860 53.931 54.840 -0.080 0.000 0.810 217 L CB 1.772 43.622 42.059 -0.349 0.000 1.240 217 L HN 0.415 nan 8.230 nan 0.000 0.427 218 V N 3.096 123.014 119.914 0.007 0.000 2.482 218 V HA 0.379 4.504 4.120 0.009 0.000 0.295 218 V C -0.939 175.311 176.094 0.261 0.000 1.026 218 V CA -0.536 61.789 62.300 0.043 0.000 0.856 218 V CB 1.587 33.449 31.823 0.066 0.000 1.001 218 V HN 0.507 nan 8.190 nan 0.000 0.424 219 Y N 2.113 122.446 120.300 0.055 0.000 2.328 219 Y HA 0.619 5.174 4.550 0.008 0.000 0.337 219 Y C 0.855 176.777 175.900 0.038 0.000 0.966 219 Y CA -0.993 57.144 58.100 0.060 0.000 1.136 219 Y CB 2.426 40.903 38.460 0.028 0.000 1.170 219 Y HN 0.719 nan 8.280 nan 0.000 0.470 220 G N 4.592 113.501 108.800 0.183 0.000 2.800 220 G HA2 0.314 4.279 3.960 0.009 0.000 0.340 220 G HA3 0.314 4.279 3.960 0.009 0.000 0.340 220 G C -0.752 174.178 174.900 0.050 0.000 1.089 220 G CA -0.428 44.730 45.100 0.095 0.000 1.144 220 G HN 0.617 nan 8.290 nan 0.000 0.461 221 Q N 1.348 121.171 119.800 0.039 0.000 2.417 221 Q HA 0.237 4.582 4.340 0.009 0.000 0.241 221 Q C 1.517 177.514 176.000 -0.005 0.000 1.008 221 Q CA -0.352 55.448 55.803 -0.005 0.000 0.901 221 Q CB 1.508 30.244 28.738 -0.003 0.000 1.259 221 Q HN 0.510 nan 8.270 nan 0.000 0.489 222 M N 1.152 120.741 119.600 -0.018 0.000 2.213 222 M HA -0.185 4.301 4.480 0.009 0.000 0.263 222 M C 1.346 177.640 176.300 -0.011 0.000 1.062 222 M CA 1.669 56.959 55.300 -0.016 0.000 1.105 222 M CB -0.388 32.200 32.600 -0.020 0.000 1.385 222 M HN 0.700 nan 8.290 nan 0.000 0.417 223 N N -0.293 118.403 118.700 -0.006 0.000 2.521 223 N HA -0.003 4.742 4.740 0.009 0.000 0.188 223 N C -0.185 175.325 175.510 0.000 0.000 1.146 223 N CA -0.083 52.965 53.050 -0.003 0.000 0.893 223 N CB 0.083 38.570 38.487 -0.000 0.000 0.975 223 N HN 0.368 nan 8.380 nan 0.000 0.451 224 E N 1.139 121.340 120.200 0.002 0.000 2.318 224 E HA 0.251 4.606 4.350 0.009 0.000 0.265 224 E C -2.296 174.303 176.600 -0.001 0.000 1.069 224 E CA -2.239 54.165 56.400 0.006 0.000 0.893 224 E CB 0.709 30.417 29.700 0.014 0.000 1.076 224 E HN 0.152 nan 8.360 nan 0.000 0.414 225 P HA 0.011 nan 4.420 nan 0.000 0.272 225 P C -2.152 175.141 177.300 -0.012 0.000 1.230 225 P CA -1.049 62.048 63.100 -0.006 0.000 0.788 225 P CB -0.061 31.639 31.700 -0.001 0.000 0.949 226 P HA -0.233 nan 4.420 nan 0.000 0.216 226 P C 1.594 178.875 177.300 -0.032 0.000 1.157 226 P CA 2.298 65.376 63.100 -0.037 0.000 0.880 226 P CB -0.595 31.079 31.700 -0.043 0.000 0.791 227 G N -0.251 108.540 108.800 -0.016 0.000 2.440 227 G HA2 -0.276 3.689 3.960 0.009 0.000 0.218 227 G HA3 -0.276 3.689 3.960 0.009 0.000 0.218 227 G C 1.664 176.568 174.900 0.008 0.000 1.154 227 G CA 1.137 46.235 45.100 -0.003 0.000 0.767 227 G HN 0.382 nan 8.290 nan 0.000 0.552 228 A N 0.668 123.494 122.820 0.010 0.000 1.873 228 A HA 0.060 4.386 4.320 0.009 0.000 0.215 228 A C 2.442 180.038 177.584 0.021 0.000 1.186 228 A CA 1.617 53.666 52.037 0.020 0.000 0.616 228 A CB -0.359 18.654 19.000 0.021 0.000 0.823 228 A HN 0.325 nan 8.150 nan 0.000 0.442 229 R N -0.474 120.031 120.500 0.008 0.000 2.148 229 R HA 0.016 4.361 4.340 0.009 0.000 0.227 229 R C 2.276 178.581 176.300 0.008 0.000 1.103 229 R CA 1.037 57.143 56.100 0.010 0.000 0.983 229 R CB -0.342 29.951 30.300 -0.011 0.000 0.874 229 R HN 0.520 nan 8.270 nan 0.000 0.451 230 A N 0.566 123.370 122.820 -0.026 0.000 1.968 230 A HA -0.062 4.263 4.320 0.009 0.000 0.217 230 A C 1.757 179.360 177.584 0.031 0.000 1.169 230 A CA 0.999 52.994 52.037 -0.071 0.000 0.638 230 A CB 0.003 18.937 19.000 -0.111 0.000 0.812 230 A HN 0.042 nan 8.150 nan 0.000 0.446 231 R N -0.235 120.291 120.500 0.043 0.000 2.223 231 R HA 0.037 4.382 4.340 0.009 0.000 0.198 231 R C 1.996 178.320 176.300 0.040 0.000 0.984 231 R CA 1.193 57.320 56.100 0.044 0.000 1.018 231 R CB -1.190 29.125 30.300 0.024 0.000 0.945 231 R HN 0.535 nan 8.270 nan 0.000 0.479 232 V N -0.522 119.426 119.914 0.057 0.000 2.380 232 V HA -0.183 3.942 4.120 0.009 0.000 0.251 232 V C 2.412 178.532 176.094 0.043 0.000 1.063 232 V CA 1.780 64.111 62.300 0.053 0.000 1.055 232 V CB -1.375 30.493 31.823 0.074 0.000 0.657 232 V HN 0.149 nan 8.190 nan 0.000 0.455 233 A N 1.081 123.944 122.820 0.073 0.000 1.917 233 A HA -0.142 4.183 4.320 0.009 0.000 0.219 233 A C 2.277 179.839 177.584 -0.036 0.000 1.182 233 A CA 2.435 54.473 52.037 0.001 0.000 0.633 233 A CB -0.670 18.319 19.000 -0.018 0.000 0.819 233 A HN 0.593 nan 8.150 nan 0.000 0.448 234 L N -1.082 120.132 121.223 -0.016 0.000 2.056 234 L HA -0.132 4.213 4.340 0.009 0.000 0.207 234 L C 2.773 179.598 176.870 -0.074 0.000 1.078 234 L CA 1.712 56.509 54.840 -0.072 0.000 0.749 234 L CB -1.289 40.682 42.059 -0.147 0.000 0.901 234 L HN 0.352 nan 8.230 nan 0.000 0.433 235 T N 0.124 114.647 114.554 -0.052 0.000 2.652 235 T HA -0.144 4.211 4.350 0.009 0.000 0.267 235 T C 1.910 176.595 174.700 -0.025 0.000 1.039 235 T CA 1.492 63.570 62.100 -0.037 0.000 1.153 235 T CB -0.678 68.181 68.868 -0.014 0.000 0.863 235 T HN 0.547 nan 8.240 nan 0.000 0.428 236 G N 1.712 110.506 108.800 -0.010 0.000 2.459 236 G HA2 -0.196 3.769 3.960 0.009 0.000 0.217 236 G HA3 -0.196 3.769 3.960 0.009 0.000 0.217 236 G C 1.529 176.426 174.900 -0.006 0.000 1.183 236 G CA 0.999 46.101 45.100 0.004 0.000 0.776 236 G HN 0.410 nan 8.290 nan 0.000 0.552 237 L N 1.152 122.354 121.223 -0.035 0.000 2.043 237 L HA -0.071 4.274 4.340 0.009 0.000 0.212 237 L C 2.893 179.747 176.870 -0.026 0.000 1.075 237 L CA 2.743 57.558 54.840 -0.042 0.000 0.752 237 L CB -1.091 40.924 42.059 -0.073 0.000 0.891 237 L HN 0.233 nan 8.230 nan 0.000 0.432 238 T N -1.218 113.315 114.554 -0.034 0.000 2.746 238 T HA -0.155 4.200 4.350 0.009 0.000 0.267 238 T C 1.998 176.677 174.700 -0.036 0.000 1.039 238 T CA 1.560 63.641 62.100 -0.031 0.000 1.142 238 T CB -0.463 68.382 68.868 -0.039 0.000 0.866 238 T HN 0.226 nan 8.240 nan 0.000 0.444 239 V N 1.845 121.731 119.914 -0.047 0.000 2.332 239 V HA -0.200 3.926 4.120 0.009 0.000 0.248 239 V C 2.921 178.987 176.094 -0.048 0.000 1.055 239 V CA 1.761 64.009 62.300 -0.087 0.000 1.038 239 V CB -1.265 30.531 31.823 -0.045 0.000 0.651 239 V HN 0.545 nan 8.190 nan 0.000 0.450 240 A N -0.472 122.389 122.820 0.069 0.000 1.902 240 A HA -0.250 4.075 4.320 0.009 0.000 0.217 240 A C 2.168 179.826 177.584 0.123 0.000 1.181 240 A CA 1.869 54.010 52.037 0.173 0.000 0.623 240 A CB -0.510 18.560 19.000 0.117 0.000 0.818 240 A HN 0.618 nan 8.150 nan 0.000 0.443 241 E N -1.718 118.508 120.200 0.043 0.000 2.153 241 E HA -0.222 4.133 4.350 0.009 0.000 0.194 241 E C 1.738 178.343 176.600 0.008 0.000 0.988 241 E CA 1.357 57.770 56.400 0.023 0.000 0.811 241 E CB -0.303 29.398 29.700 0.003 0.000 0.746 241 E HN 0.824 nan 8.360 nan 0.000 0.466 242 Y N 0.212 120.414 120.300 -0.163 0.000 2.181 242 Y HA -0.261 4.294 4.550 0.008 0.000 0.288 242 Y C 1.708 177.508 175.900 -0.165 0.000 1.146 242 Y CA 1.686 59.643 58.100 -0.237 0.000 1.164 242 Y CB -0.276 37.926 38.460 -0.430 0.000 0.982 242 Y HN -0.018 nan 8.280 nan 0.000 0.515 243 F N -0.063 119.994 119.950 0.178 0.000 2.186 243 F HA -0.152 4.380 4.527 0.009 0.000 0.299 243 F C 2.752 178.552 175.800 -0.001 0.000 1.090 243 F CA 1.344 59.416 58.000 0.121 0.000 1.307 243 F CB -0.372 38.762 39.000 0.224 0.000 1.019 243 F HN -0.049 nan 8.300 nan 0.000 0.489 244 R N 0.803 121.396 120.500 0.155 0.000 2.061 244 R HA -0.149 4.196 4.340 0.009 0.000 0.230 244 R C 1.634 177.922 176.300 -0.020 0.000 1.140 244 R CA 2.200 58.333 56.100 0.053 0.000 0.940 244 R CB -0.355 29.964 30.300 0.031 0.000 0.839 244 R HN 0.128 nan 8.270 nan 0.000 0.429 245 D N 0.023 120.381 120.400 -0.069 0.000 2.162 245 D HA -0.097 4.549 4.640 0.009 0.000 0.203 245 D C 1.958 178.161 176.300 -0.161 0.000 0.967 245 D CA 0.950 54.891 54.000 -0.099 0.000 0.840 245 D CB -0.011 40.736 40.800 -0.087 0.000 0.972 245 D HN 0.335 nan 8.370 nan 0.000 0.482 246 Q N 0.111 119.721 119.800 -0.317 0.000 2.391 246 Q HA 0.086 4.431 4.340 0.009 0.000 0.211 246 Q C 0.927 176.763 176.000 -0.273 0.000 0.908 246 Q CA 0.553 56.109 55.803 -0.412 0.000 0.920 246 Q CB 0.607 28.784 28.738 -0.935 0.000 1.056 246 Q HN 0.466 nan 8.270 nan 0.000 0.523 247 E N -0.361 119.732 120.200 -0.179 0.000 2.630 247 E HA 0.208 4.563 4.350 0.009 0.000 0.218 247 E C 0.324 176.932 176.600 0.013 0.000 0.977 247 E CA 0.154 56.544 56.400 -0.017 0.000 1.038 247 E CB 1.105 30.891 29.700 0.142 0.000 1.051 247 E HN 0.344 nan 8.360 nan 0.000 0.487 248 G N 2.570 111.362 108.800 -0.012 0.000 2.225 248 G HA2 -0.338 3.627 3.960 0.009 0.000 0.267 248 G HA3 -0.338 3.627 3.960 0.009 0.000 0.267 248 G C 0.141 175.045 174.900 0.007 0.000 1.024 248 G CA 0.600 45.696 45.100 -0.007 0.000 0.784 248 G HN 0.258 nan 8.290 nan 0.000 0.507 249 Q N -0.163 119.658 119.800 0.035 0.000 2.260 249 Q HA 0.350 4.695 4.340 0.009 0.000 0.238 249 Q C -0.519 175.487 176.000 0.011 0.000 0.948 249 Q CA -0.505 55.311 55.803 0.022 0.000 0.895 249 Q CB 0.861 29.624 28.738 0.042 0.000 1.218 249 Q HN 0.288 nan 8.270 nan 0.000 0.470 250 D N 1.877 122.266 120.400 -0.017 0.000 2.428 250 D HA 0.195 4.840 4.640 0.009 0.000 0.221 250 D C -0.708 175.576 176.300 -0.027 0.000 1.123 250 D CA 0.012 53.988 54.000 -0.040 0.000 0.869 250 D CB 0.991 41.732 40.800 -0.097 0.000 1.032 250 D HN 0.122 nan 8.370 nan 0.000 0.506 251 V N 2.541 122.458 119.914 0.006 0.000 2.716 251 V HA 0.370 4.495 4.120 0.009 0.000 0.304 251 V C 0.559 176.654 176.094 0.001 0.000 1.053 251 V CA -0.839 61.487 62.300 0.044 0.000 0.984 251 V CB 2.192 34.097 31.823 0.137 0.000 1.021 251 V HN 0.355 nan 8.190 nan 0.000 0.467 252 L N 3.745 124.979 121.223 0.019 0.000 2.296 252 L HA 0.557 4.902 4.340 0.009 0.000 0.286 252 L C -0.976 175.852 176.870 -0.070 0.000 1.023 252 L CA -0.596 54.197 54.840 -0.079 0.000 0.812 252 L CB 1.637 43.673 42.059 -0.038 0.000 1.223 252 L HN 0.507 nan 8.230 nan 0.000 0.421 253 L N 4.366 125.462 121.223 -0.211 0.000 2.343 253 L HA 0.540 4.885 4.340 0.009 0.000 0.278 253 L C -1.196 175.471 176.870 -0.339 0.000 0.996 253 L CA 0.102 54.855 54.840 -0.146 0.000 0.831 253 L CB 1.184 43.186 42.059 -0.095 0.000 1.232 253 L HN 0.192 nan 8.230 nan 0.000 0.413 254 F N 5.915 125.803 119.950 -0.103 0.000 2.410 254 F HA 0.520 5.052 4.527 0.008 0.000 0.349 254 F C 0.205 175.769 175.800 -0.394 0.000 1.117 254 F CA -0.383 57.482 58.000 -0.225 0.000 1.104 254 F CB 0.987 39.862 39.000 -0.209 0.000 1.122 254 F HN 0.249 nan 8.300 nan 0.000 0.483 255 I N 3.294 123.749 120.570 -0.191 0.000 2.354 255 I HA 0.244 4.419 4.170 0.009 0.000 0.286 255 I C -0.896 175.103 176.117 -0.197 0.000 1.007 255 I CA -0.421 60.739 61.300 -0.233 0.000 1.167 255 I CB 1.280 39.149 38.000 -0.219 0.000 1.320 255 I HN 0.438 nan 8.210 nan 0.000 0.458 256 D N 7.221 127.471 120.400 -0.251 0.000 2.454 256 D HA 0.291 4.936 4.640 0.009 0.000 0.247 256 D C -1.016 175.278 176.300 -0.010 0.000 1.129 256 D CA -0.268 53.675 54.000 -0.096 0.000 0.877 256 D CB 1.163 41.942 40.800 -0.035 0.000 1.082 256 D HN 0.753 nan 8.370 nan 0.000 0.537 257 N N 1.919 120.641 118.700 0.037 0.000 2.469 257 N HA 0.281 5.026 4.740 0.009 0.000 0.286 257 N C 0.631 176.191 175.510 0.083 0.000 1.275 257 N CA -0.793 52.284 53.050 0.045 0.000 0.790 257 N CB 1.646 40.185 38.487 0.086 0.000 1.446 257 N HN 0.064 nan 8.380 nan 0.000 0.501 258 I N 0.321 120.930 120.570 0.066 0.000 2.394 258 I HA -0.047 4.129 4.170 0.009 0.000 0.251 258 I C 1.645 177.911 176.117 0.248 0.000 1.136 258 I CA 0.886 62.242 61.300 0.094 0.000 1.425 258 I CB -0.462 37.520 38.000 -0.029 0.000 1.079 258 I HN 0.717 nan 8.210 nan 0.000 0.425 259 F N 1.495 121.524 119.950 0.132 0.000 2.202 259 F HA -0.200 4.333 4.527 0.010 0.000 0.301 259 F C 2.416 178.310 175.800 0.157 0.000 1.082 259 F CA 1.653 59.762 58.000 0.182 0.000 1.313 259 F CB -0.325 38.829 39.000 0.256 0.000 1.024 259 F HN -0.034 nan 8.300 nan 0.000 0.495 260 R N -1.048 119.482 120.500 0.049 0.000 2.193 260 R HA -0.101 4.245 4.340 0.009 0.000 0.213 260 R C 2.193 178.467 176.300 -0.043 0.000 1.055 260 R CA 1.206 57.260 56.100 -0.077 0.000 0.995 260 R CB -0.687 29.625 30.300 0.020 0.000 0.893 260 R HN 0.451 nan 8.270 nan 0.000 0.459 261 F N 1.416 121.313 119.950 -0.088 0.000 2.113 261 F HA -0.167 4.367 4.527 0.011 0.000 0.297 261 F C 2.065 177.813 175.800 -0.087 0.000 1.103 261 F CA 1.571 59.527 58.000 -0.074 0.000 1.248 261 F CB -0.427 38.538 39.000 -0.059 0.000 0.999 261 F HN -0.200 nan 8.300 nan 0.000 0.475 262 T N 0.601 115.085 114.554 -0.116 0.000 2.684 262 T HA -0.205 4.150 4.350 0.009 0.000 0.267 262 T C 1.867 176.421 174.700 -0.243 0.000 1.036 262 T CA 1.664 63.647 62.100 -0.196 0.000 1.148 262 T CB -0.278 68.598 68.868 0.013 0.000 0.863 262 T HN 0.285 nan 8.240 nan 0.000 0.436 263 Q N 0.519 120.112 119.800 -0.344 0.000 2.124 263 Q HA 0.044 4.389 4.340 0.009 0.000 0.202 263 Q C 2.626 178.489 176.000 -0.228 0.000 0.977 263 Q CA 1.429 57.033 55.803 -0.332 0.000 0.850 263 Q CB -0.668 27.754 28.738 -0.527 0.000 0.901 263 Q HN 0.581 nan 8.270 nan 0.000 0.429 264 A N 0.467 123.149 122.820 -0.230 0.000 1.898 264 A HA -0.050 4.275 4.320 0.009 0.000 0.216 264 A C 2.337 179.805 177.584 -0.194 0.000 1.181 264 A CA 1.660 53.588 52.037 -0.182 0.000 0.620 264 A CB -0.968 17.940 19.000 -0.154 0.000 0.819 264 A HN 0.440 nan 8.150 nan 0.000 0.442 265 G N -0.937 107.690 108.800 -0.289 0.000 2.422 265 G HA2 -0.188 3.777 3.960 0.009 0.000 0.218 265 G HA3 -0.188 3.777 3.960 0.009 0.000 0.218 265 G C 1.899 176.717 174.900 -0.137 0.000 1.146 265 G CA 1.454 46.407 45.100 -0.245 0.000 0.769 265 G HN 0.553 nan 8.290 nan 0.000 0.547 266 S N 0.161 115.791 115.700 -0.116 0.000 2.383 266 S HA -0.081 4.394 4.470 0.009 0.000 0.227 266 S C 2.243 176.796 174.600 -0.078 0.000 1.026 266 S CA 1.784 59.944 58.200 -0.066 0.000 0.981 266 S CB -0.218 62.944 63.200 -0.063 0.000 0.818 266 S HN 0.589 nan 8.310 nan 0.000 0.472 267 E N 0.140 120.283 120.200 -0.093 0.000 2.047 267 E HA -0.074 4.281 4.350 0.009 0.000 0.191 267 E C 2.170 178.735 176.600 -0.058 0.000 0.987 267 E CA 1.345 57.700 56.400 -0.075 0.000 0.799 267 E CB -0.241 29.412 29.700 -0.078 0.000 0.752 267 E HN 0.329 nan 8.360 nan 0.000 0.449 268 V N 0.938 120.813 119.914 -0.064 0.000 2.332 268 V HA -0.289 3.836 4.120 0.009 0.000 0.248 268 V C 2.413 178.485 176.094 -0.037 0.000 1.055 268 V CA 1.993 64.264 62.300 -0.047 0.000 1.038 268 V CB -0.510 31.282 31.823 -0.052 0.000 0.651 268 V HN 0.267 nan 8.190 nan 0.000 0.450 269 S N -0.536 115.139 115.700 -0.042 0.000 2.382 269 S HA -0.186 4.289 4.470 0.009 0.000 0.228 269 S C 2.114 176.701 174.600 -0.022 0.000 1.027 269 S CA 1.579 59.762 58.200 -0.027 0.000 0.991 269 S CB -0.303 62.884 63.200 -0.022 0.000 0.823 269 S HN 0.632 nan 8.310 nan 0.000 0.469 270 A N 1.436 124.239 122.820 -0.029 0.000 1.898 270 A HA 0.070 4.395 4.320 0.009 0.000 0.216 270 A C 2.183 179.755 177.584 -0.020 0.000 1.181 270 A CA 1.277 53.298 52.037 -0.026 0.000 0.620 270 A CB -0.777 18.201 19.000 -0.036 0.000 0.819 270 A HN 0.562 nan 8.150 nan 0.000 0.442 271 L N -0.734 120.476 121.223 -0.022 0.000 2.083 271 L HA -0.149 4.196 4.340 0.009 0.000 0.209 271 L C 2.169 179.033 176.870 -0.009 0.000 1.083 271 L CA 1.007 55.837 54.840 -0.016 0.000 0.752 271 L CB -0.474 41.575 42.059 -0.016 0.000 0.899 271 L HN 0.365 nan 8.230 nan 0.000 0.433 272 L N -0.453 120.765 121.223 -0.009 0.000 2.610 272 L HA 0.043 4.388 4.340 0.009 0.000 0.232 272 L C 1.505 178.374 176.870 -0.002 0.000 1.149 272 L CA 0.594 55.432 54.840 -0.004 0.000 0.872 272 L CB -0.447 41.610 42.059 -0.004 0.000 0.992 272 L HN 0.513 nan 8.230 nan 0.000 0.447 273 G N 0.370 109.167 108.800 -0.005 0.000 2.159 273 G HA2 -0.299 3.666 3.960 0.009 0.000 0.256 273 G HA3 -0.299 3.666 3.960 0.009 0.000 0.256 273 G C 0.330 175.229 174.900 -0.002 0.000 0.977 273 G CA -0.242 44.856 45.100 -0.003 0.000 0.652 273 G HN 0.376 nan 8.290 nan 0.000 0.531 274 R N -0.019 120.479 120.500 -0.002 0.000 2.522 274 R HA 0.374 4.720 4.340 0.009 0.000 0.284 274 R C 1.002 177.302 176.300 0.001 0.000 1.032 274 R CA -0.248 55.852 56.100 0.000 0.000 1.049 274 R CB 0.553 30.853 30.300 0.000 0.000 0.956 274 R HN 0.376 nan 8.270 nan 0.000 0.422 275 I N 5.665 126.238 120.570 0.005 0.000 2.662 275 I HA -0.018 4.157 4.170 0.009 0.000 0.285 275 I C -1.704 174.419 176.117 0.011 0.000 1.161 275 I CA -1.417 59.887 61.300 0.006 0.000 1.415 275 I CB 0.114 38.119 38.000 0.009 0.000 1.385 275 I HN 0.293 nan 8.210 nan 0.000 0.552 276 P HA 0.088 nan 4.420 nan 0.000 0.272 276 P C -0.209 177.110 177.300 0.031 0.000 1.230 276 P CA -0.204 62.904 63.100 0.014 0.000 0.788 276 P CB 0.857 32.555 31.700 -0.005 0.000 0.949 277 S N 0.757 116.491 115.700 0.056 0.000 2.590 277 S HA 0.652 5.127 4.470 0.009 0.000 0.282 277 S C -0.254 174.399 174.600 0.089 0.000 1.136 277 S CA -0.433 57.811 58.200 0.073 0.000 1.030 277 S CB -0.088 63.167 63.200 0.092 0.000 1.195 277 S HN 0.506 nan 8.310 nan 0.000 0.506 278 A N 0.392 123.277 122.820 0.108 0.000 2.520 278 A HA 0.423 4.749 4.320 0.009 0.000 0.245 278 A C 1.032 178.725 177.584 0.182 0.000 1.072 278 A CA 0.382 52.489 52.037 0.116 0.000 0.761 278 A CB -0.840 18.223 19.000 0.105 0.000 1.004 278 A HN 1.626 nan 8.150 nan 0.000 0.499 279 V N 1.272 121.260 119.914 0.124 0.000 2.418 279 V HA -0.325 3.800 4.120 0.009 0.000 0.129 279 V C 1.792 177.857 176.094 -0.049 0.000 0.469 279 V CA 1.745 64.107 62.300 0.104 0.000 1.298 279 V CB -2.366 29.607 31.823 0.250 0.000 1.512 279 V HN 2.925 nan 8.190 nan 0.000 1.004 280 G N -2.616 106.164 108.800 -0.034 0.000 2.175 280 G HA2 -0.312 3.653 3.960 0.009 0.000 0.244 280 G HA3 -0.312 3.653 3.960 0.009 0.000 0.244 280 G C -0.121 174.676 174.900 -0.173 0.000 0.982 280 G CA 0.202 45.229 45.100 -0.123 0.000 0.641 280 G HN 0.873 nan 8.290 nan 0.000 0.527 281 Y N 1.972 122.289 120.300 0.027 0.000 2.385 281 Y HA 0.372 4.927 4.550 0.007 0.000 0.346 281 Y C 1.504 177.404 175.900 -0.000 0.000 1.270 281 Y CA 0.127 58.236 58.100 0.014 0.000 1.472 281 Y CB 0.422 38.902 38.460 0.034 0.000 1.354 281 Y HN 0.401 nan 8.280 nan 0.000 0.611 282 Q N 3.445 123.337 119.800 0.154 0.000 2.386 282 Q HA -0.000 4.345 4.340 0.009 0.000 0.282 282 Q C -2.242 173.806 176.000 0.080 0.000 1.050 282 Q CA -1.388 54.458 55.803 0.072 0.000 0.918 282 Q CB 0.612 29.368 28.738 0.031 0.000 1.266 282 Q HN 0.406 nan 8.270 nan 0.000 0.423 283 P HA -0.116 nan 4.420 nan 0.000 0.220 283 P C 0.870 178.195 177.300 0.043 0.000 1.148 283 P CA 1.530 64.659 63.100 0.048 0.000 0.803 283 P CB -0.139 31.580 31.700 0.032 0.000 0.782 284 T N -3.245 111.329 114.554 0.034 0.000 3.324 284 T HA 0.107 4.462 4.350 0.009 0.000 0.250 284 T C 1.430 176.151 174.700 0.036 0.000 1.059 284 T CA -0.320 61.798 62.100 0.030 0.000 0.951 284 T CB -0.922 67.956 68.868 0.016 0.000 1.030 284 T HN -0.149 nan 8.240 nan 0.000 0.576 285 L N 1.784 123.034 121.223 0.047 0.000 1.990 285 L HA -0.005 4.341 4.340 0.009 0.000 0.213 285 L C 2.655 179.560 176.870 0.057 0.000 1.072 285 L CA 2.283 57.149 54.840 0.043 0.000 0.755 285 L CB -1.167 40.910 42.059 0.030 0.000 0.889 285 L HN 0.383 nan 8.230 nan 0.000 0.432 286 A N -1.685 121.173 122.820 0.063 0.000 1.968 286 A HA -0.137 4.188 4.320 0.009 0.000 0.217 286 A C 2.284 179.930 177.584 0.103 0.000 1.169 286 A CA 1.962 54.054 52.037 0.091 0.000 0.638 286 A CB -1.135 17.912 19.000 0.078 0.000 0.812 286 A HN 0.649 nan 8.150 nan 0.000 0.446 287 T N -2.603 111.997 114.554 0.077 0.000 2.937 287 T HA -0.082 4.273 4.350 0.009 0.000 0.260 287 T C 1.354 176.103 174.700 0.081 0.000 1.051 287 T CA 1.157 63.300 62.100 0.073 0.000 1.141 287 T CB -0.409 68.490 68.868 0.052 0.000 0.879 287 T HN 0.283 nan 8.240 nan 0.000 0.459 288 D N 1.178 121.625 120.400 0.078 0.000 2.116 288 D HA -0.102 4.544 4.640 0.009 0.000 0.193 288 D C 1.909 178.348 176.300 0.231 0.000 0.998 288 D CA 1.311 55.374 54.000 0.105 0.000 0.836 288 D CB -0.393 40.413 40.800 0.009 0.000 0.951 288 D HN 0.326 nan 8.370 nan 0.000 0.449 289 M N 0.411 120.132 119.600 0.200 0.000 2.132 289 M HA 0.034 4.519 4.480 0.009 0.000 0.263 289 M C 1.943 178.189 176.300 -0.089 0.000 1.065 289 M CA 1.770 57.150 55.300 0.134 0.000 1.122 289 M CB -0.577 32.080 32.600 0.094 0.000 1.365 289 M HN -0.001 nan 8.290 nan 0.000 0.411 290 G N -1.357 107.449 108.800 0.011 0.000 2.404 290 G HA2 -0.203 3.763 3.960 0.009 0.000 0.215 290 G HA3 -0.203 3.763 3.960 0.009 0.000 0.215 290 G C 1.455 176.363 174.900 0.012 0.000 1.174 290 G CA 1.384 46.504 45.100 0.032 0.000 0.780 290 G HN 0.579 nan 8.290 nan 0.000 0.537 291 T N -1.561 113.019 114.554 0.043 0.000 2.881 291 T HA -0.050 4.305 4.350 0.009 0.000 0.270 291 T C 2.194 176.905 174.700 0.018 0.000 1.068 291 T CA 1.468 63.595 62.100 0.045 0.000 1.131 291 T CB -0.120 68.792 68.868 0.073 0.000 0.871 291 T HN 0.126 nan 8.240 nan 0.000 0.479 292 M N 0.649 120.243 119.600 -0.009 0.000 2.171 292 M HA 0.029 4.515 4.480 0.009 0.000 0.260 292 M C 2.341 178.538 176.300 -0.172 0.000 1.087 292 M CA 1.426 56.672 55.300 -0.091 0.000 1.154 292 M CB -0.705 31.790 32.600 -0.175 0.000 1.331 292 M HN 0.179 nan 8.290 nan 0.000 0.431 293 Q N 0.482 120.122 119.800 -0.265 0.000 2.181 293 Q HA -0.164 4.181 4.340 0.009 0.000 0.205 293 Q C 1.711 177.631 176.000 -0.134 0.000 0.980 293 Q CA 1.252 56.879 55.803 -0.294 0.000 0.862 293 Q CB -0.431 27.944 28.738 -0.605 0.000 0.905 293 Q HN 0.576 nan 8.270 nan 0.000 0.429 294 E N 0.413 120.572 120.200 -0.069 0.000 2.347 294 E HA -0.095 4.260 4.350 0.009 0.000 0.196 294 E C 1.826 178.415 176.600 -0.020 0.000 1.008 294 E CA 0.316 56.715 56.400 -0.003 0.000 0.852 294 E CB 0.000 29.722 29.700 0.036 0.000 0.783 294 E HN 0.323 nan 8.360 nan 0.000 0.505 295 R N 0.130 120.605 120.500 -0.041 0.000 2.148 295 R HA 0.073 4.418 4.340 0.009 0.000 0.223 295 R C 0.828 177.098 176.300 -0.050 0.000 1.088 295 R CA 0.349 56.425 56.100 -0.039 0.000 0.985 295 R CB 0.050 30.326 30.300 -0.041 0.000 0.880 295 R HN 0.061 nan 8.270 nan 0.000 0.451 296 I N 1.112 121.639 120.570 -0.071 0.000 2.322 296 I HA 0.082 4.257 4.170 0.009 0.000 0.292 296 I C 0.255 176.335 176.117 -0.060 0.000 1.060 296 I CA 0.341 61.594 61.300 -0.078 0.000 1.309 296 I CB 1.342 39.273 38.000 -0.114 0.000 1.415 296 I HN -0.042 nan 8.210 nan 0.000 0.492 297 T N 3.076 117.598 114.554 -0.054 0.000 2.676 297 T HA 0.239 4.594 4.350 0.009 0.000 0.308 297 T C -0.990 173.681 174.700 -0.050 0.000 1.740 297 T CA -0.549 61.521 62.100 -0.049 0.000 0.982 297 T CB 1.387 70.230 68.868 -0.041 0.000 1.724 297 T HN 0.414 nan 8.240 nan 0.000 0.497 298 T N 2.808 117.331 114.554 -0.053 0.000 2.744 298 T HA 0.598 4.953 4.350 0.009 0.000 0.291 298 T C 0.543 175.209 174.700 -0.056 0.000 0.957 298 T CA -0.391 61.678 62.100 -0.052 0.000 1.002 298 T CB 0.860 69.696 68.868 -0.054 0.000 0.919 298 T HN 0.837 nan 8.240 nan 0.000 0.468 299 T N 0.636 115.161 114.554 -0.048 0.000 2.892 299 T HA 0.451 4.806 4.350 0.009 0.000 0.280 299 T C 1.184 175.856 174.700 -0.047 0.000 1.004 299 T CA -0.948 61.122 62.100 -0.050 0.000 0.950 299 T CB 1.122 69.966 68.868 -0.040 0.000 1.309 299 T HN 0.369 nan 8.240 nan 0.000 0.592 300 K N -0.312 120.062 120.400 -0.044 0.000 2.365 300 K HA 0.100 4.425 4.320 0.009 0.000 0.199 300 K C 2.104 178.685 176.600 -0.030 0.000 1.045 300 K CA 0.713 56.977 56.287 -0.037 0.000 0.962 300 K CB -0.007 32.472 32.500 -0.035 0.000 0.759 300 K HN 0.455 nan 8.250 nan 0.000 0.469 301 K N -0.576 119.806 120.400 -0.030 0.000 2.323 301 K HA 0.058 4.383 4.320 0.009 0.000 0.197 301 K C 0.478 177.064 176.600 -0.025 0.000 1.043 301 K CA 0.407 56.677 56.287 -0.028 0.000 0.997 301 K CB 0.813 33.294 32.500 -0.032 0.000 0.807 301 K HN 0.239 nan 8.250 nan 0.000 0.497 302 G N -0.527 108.257 108.800 -0.026 0.000 2.367 302 G HA2 0.150 4.116 3.960 0.009 0.000 0.272 302 G HA3 0.150 4.116 3.960 0.009 0.000 0.272 302 G C -1.566 173.317 174.900 -0.028 0.000 1.271 302 G CA -0.247 44.840 45.100 -0.023 0.000 0.893 302 G HN 0.136 nan 8.290 nan 0.000 0.485 303 S N -1.370 114.315 115.700 -0.025 0.000 2.579 303 S HA 0.796 5.271 4.470 0.009 0.000 0.272 303 S C -1.282 173.304 174.600 -0.023 0.000 1.141 303 S CA -0.787 57.393 58.200 -0.034 0.000 0.843 303 S CB 1.857 65.025 63.200 -0.052 0.000 1.122 303 S HN 0.979 nan 8.310 nan 0.000 0.468 304 I N 1.793 122.343 120.570 -0.035 0.000 2.418 304 I HA 0.414 4.589 4.170 0.009 0.000 0.287 304 I C -0.594 175.476 176.117 -0.078 0.000 1.008 304 I CA -0.418 60.858 61.300 -0.040 0.000 1.104 304 I CB 2.286 40.266 38.000 -0.033 0.000 1.264 304 I HN 0.654 nan 8.210 nan 0.000 0.438 305 T N 3.792 118.286 114.554 -0.100 0.000 2.797 305 T HA 0.314 4.670 4.350 0.009 0.000 0.279 305 T C -0.306 174.265 174.700 -0.215 0.000 0.991 305 T CA -0.507 61.510 62.100 -0.139 0.000 0.979 305 T CB 1.573 70.375 68.868 -0.111 0.000 0.943 305 T HN 0.479 nan 8.240 nan 0.000 0.444 306 S N 2.376 117.925 115.700 -0.250 0.000 2.498 306 S HA 0.572 5.047 4.470 0.009 0.000 0.317 306 S C -0.424 173.953 174.600 -0.372 0.000 1.090 306 S CA -0.619 57.394 58.200 -0.313 0.000 1.089 306 S CB 0.514 63.563 63.200 -0.251 0.000 0.997 306 S HN 0.482 nan 8.310 nan 0.000 0.470 307 V N 6.258 125.895 119.914 -0.461 0.000 2.370 307 V HA 0.436 4.561 4.120 0.009 0.000 0.279 307 V C -0.326 175.640 176.094 -0.213 0.000 1.029 307 V CA -0.396 61.689 62.300 -0.357 0.000 0.870 307 V CB 1.267 32.887 31.823 -0.339 0.000 0.984 307 V HN 0.842 nan 8.190 nan 0.000 0.451 308 Q N 3.547 123.232 119.800 -0.192 0.000 2.320 308 Q HA 0.641 4.987 4.340 0.009 0.000 0.268 308 Q C -0.216 175.686 176.000 -0.164 0.000 1.023 308 Q CA -0.535 55.163 55.803 -0.174 0.000 0.744 308 Q CB 2.207 30.814 28.738 -0.218 0.000 1.246 308 Q HN 0.866 nan 8.270 nan 0.000 0.462 309 A N 4.308 127.074 122.820 -0.091 0.000 2.520 309 A HA 0.285 4.611 4.320 0.009 0.000 0.245 309 A C -0.124 177.381 177.584 -0.133 0.000 1.072 309 A CA 0.084 52.069 52.037 -0.087 0.000 0.761 309 A CB 0.117 19.126 19.000 0.015 0.000 1.004 309 A HN 0.643 nan 8.150 nan 0.000 0.499 310 I N 2.698 123.099 120.570 -0.282 0.000 2.378 310 I HA 0.212 4.387 4.170 0.009 0.000 0.291 310 I C -0.725 175.339 176.117 -0.088 0.000 0.992 310 I CA -0.278 60.855 61.300 -0.277 0.000 1.154 310 I CB 1.207 38.782 38.000 -0.708 0.000 1.315 310 I HN 0.744 nan 8.210 nan 0.000 0.448 311 Y N 6.365 126.630 120.300 -0.057 0.000 2.331 311 Y HA 0.486 5.041 4.550 0.008 0.000 0.338 311 Y C -0.591 175.192 175.900 -0.196 0.000 0.992 311 Y CA -0.660 57.375 58.100 -0.108 0.000 1.121 311 Y CB 1.550 39.931 38.460 -0.133 0.000 1.184 311 Y HN 0.284 nan 8.280 nan 0.000 0.469 312 V N 9.429 128.911 119.914 -0.720 0.000 2.304 312 V HA 0.289 4.414 4.120 0.009 0.000 0.269 312 V C -2.099 173.537 176.094 -0.763 0.000 1.036 312 V CA -1.989 60.019 62.300 -0.486 0.000 0.840 312 V CB 0.373 32.107 31.823 -0.148 0.000 1.036 312 V HN 0.698 nan 8.190 nan 0.000 0.466 313 P HA 0.063 nan 4.420 nan 0.000 0.265 313 P C 0.689 177.906 177.300 -0.138 0.000 1.193 313 P CA 0.850 63.787 63.100 -0.273 0.000 0.765 313 P CB 0.833 32.532 31.700 -0.001 0.000 0.823 314 A N 3.459 126.236 122.820 -0.071 0.000 2.799 314 A HA -0.264 4.061 4.320 0.009 0.000 0.274 314 A C 0.880 178.426 177.584 -0.062 0.000 1.393 314 A CA 1.373 53.393 52.037 -0.029 0.000 0.909 314 A CB -2.510 16.500 19.000 0.017 0.000 1.012 314 A HN 0.619 nan 8.150 nan 0.000 0.653 315 D N -1.367 118.956 120.400 -0.129 0.000 2.811 315 D HA -0.188 4.457 4.640 0.009 0.000 0.231 315 D C -0.248 176.007 176.300 -0.075 0.000 1.157 315 D CA 1.929 55.863 54.000 -0.110 0.000 0.716 315 D CB -0.924 39.832 40.800 -0.074 0.000 1.077 315 D HN 0.906 nan 8.370 nan 0.000 0.428 316 D N 0.328 120.689 120.400 -0.066 0.000 2.454 316 D HA 0.247 4.892 4.640 0.009 0.000 0.225 316 D C 1.468 177.744 176.300 -0.040 0.000 1.081 316 D CA -0.507 53.470 54.000 -0.038 0.000 0.864 316 D CB 0.367 41.164 40.800 -0.005 0.000 1.040 316 D HN 0.078 nan 8.370 nan 0.000 0.517 317 L N 2.384 123.565 121.223 -0.069 0.000 2.353 317 L HA -0.102 4.244 4.340 0.009 0.000 0.220 317 L C 2.219 179.031 176.870 -0.095 0.000 1.133 317 L CA 1.410 56.185 54.840 -0.109 0.000 0.798 317 L CB -0.272 41.666 42.059 -0.201 0.000 0.922 317 L HN 0.484 nan 8.230 nan 0.000 0.445 318 T N -4.792 109.727 114.554 -0.057 0.000 3.129 318 T HA -0.023 4.332 4.350 0.009 0.000 0.251 318 T C 0.522 175.226 174.700 0.007 0.000 1.117 318 T CA -0.414 61.666 62.100 -0.033 0.000 1.034 318 T CB -0.419 68.433 68.868 -0.027 0.000 0.968 318 T HN 0.161 nan 8.240 nan 0.000 0.526 319 D N 2.443 122.859 120.400 0.027 0.000 2.488 319 D HA 0.130 4.775 4.640 0.009 0.000 0.238 319 D C -1.356 174.960 176.300 0.026 0.000 1.138 319 D CA -1.600 52.445 54.000 0.075 0.000 0.873 319 D CB 1.145 42.017 40.800 0.120 0.000 1.183 319 D HN -0.024 nan 8.370 nan 0.000 0.458 320 P HA -0.243 nan 4.420 nan 0.000 0.217 320 P C 0.615 177.750 177.300 -0.275 0.000 1.151 320 P CA 1.749 64.752 63.100 -0.161 0.000 0.849 320 P CB 0.084 31.651 31.700 -0.222 0.000 0.787 321 A N 0.045 122.643 122.820 -0.370 0.000 1.841 321 A HA -0.092 4.233 4.320 0.009 0.000 0.214 321 A C -0.006 177.639 177.584 0.102 0.000 1.195 321 A CA 1.990 53.932 52.037 -0.158 0.000 0.611 321 A CB -2.196 16.908 19.000 0.174 0.000 0.835 321 A HN 0.214 nan 8.150 nan 0.000 0.443 322 P HA -0.124 nan 4.420 nan 0.000 0.217 322 P C 1.619 179.129 177.300 0.350 0.000 1.150 322 P CA 1.996 65.282 63.100 0.310 0.000 0.832 322 P CB -0.214 31.657 31.700 0.286 0.000 0.787 323 A N -0.027 122.889 122.820 0.159 0.000 1.908 323 A HA -0.173 4.152 4.320 0.009 0.000 0.218 323 A C 2.368 180.044 177.584 0.153 0.000 1.181 323 A CA 2.602 54.710 52.037 0.119 0.000 0.627 323 A CB -1.963 17.056 19.000 0.033 0.000 0.818 323 A HN 0.200 nan 8.150 nan 0.000 0.445 324 T N -0.289 114.333 114.554 0.113 0.000 2.777 324 T HA -0.104 4.251 4.350 0.009 0.000 0.266 324 T C 2.008 176.836 174.700 0.213 0.000 1.040 324 T CA 1.897 64.073 62.100 0.126 0.000 1.141 324 T CB -0.520 68.389 68.868 0.068 0.000 0.868 324 T HN 0.583 nan 8.240 nan 0.000 0.444 325 T N 1.543 116.218 114.554 0.203 0.000 2.746 325 T HA -0.005 4.350 4.350 0.009 0.000 0.267 325 T C 1.568 176.350 174.700 0.137 0.000 1.039 325 T CA 0.924 63.118 62.100 0.157 0.000 1.142 325 T CB -0.531 68.378 68.868 0.069 0.000 0.866 325 T HN 0.283 nan 8.240 nan 0.000 0.444 326 F N 1.653 121.658 119.950 0.092 0.000 2.269 326 F HA 0.049 4.580 4.527 0.008 0.000 0.301 326 F C 2.535 178.350 175.800 0.024 0.000 1.082 326 F CA 0.513 58.555 58.000 0.069 0.000 1.360 326 F CB -0.511 38.527 39.000 0.064 0.000 1.041 326 F HN 0.128 nan 8.300 nan 0.000 0.512 327 A N -0.911 121.996 122.820 0.145 0.000 2.024 327 A HA -0.218 4.107 4.320 0.009 0.000 0.220 327 A C 1.865 179.325 177.584 -0.207 0.000 1.164 327 A CA 1.790 53.792 52.037 -0.058 0.000 0.643 327 A CB -0.836 18.070 19.000 -0.156 0.000 0.806 327 A HN 0.476 nan 8.150 nan 0.000 0.451 328 H N -1.236 117.834 119.070 -0.000 0.000 2.562 328 H HA 0.259 4.820 4.556 0.008 0.000 0.267 328 H C 0.166 175.446 175.328 -0.080 0.000 0.959 328 H CA 0.040 56.061 56.048 -0.045 0.000 1.204 328 H CB 0.033 29.755 29.762 -0.067 0.000 1.430 328 H HN 0.333 nan 8.280 nan 0.000 0.545 329 L N 1.875 123.087 121.223 -0.018 0.000 2.380 329 L HA 0.050 4.396 4.340 0.009 0.000 0.273 329 L C 0.862 177.707 176.870 -0.042 0.000 1.138 329 L CA 0.068 54.853 54.840 -0.091 0.000 0.832 329 L CB 0.933 42.856 42.059 -0.227 0.000 1.124 329 L HN 0.086 nan 8.230 nan 0.000 0.454 330 D N 1.882 122.248 120.400 -0.058 0.000 2.379 330 D HA 0.278 4.924 4.640 0.009 0.000 0.208 330 D C 0.284 176.579 176.300 -0.009 0.000 1.065 330 D CA 0.364 54.348 54.000 -0.027 0.000 0.848 330 D CB 1.336 42.113 40.800 -0.038 0.000 0.949 330 D HN 0.589 nan 8.370 nan 0.000 0.509 331 A N 0.515 123.315 122.820 -0.032 0.000 2.610 331 A HA 0.573 4.898 4.320 0.009 0.000 0.291 331 A C -0.834 176.767 177.584 0.027 0.000 1.086 331 A CA -0.624 51.420 52.037 0.012 0.000 0.677 331 A CB 1.608 20.614 19.000 0.011 0.000 1.278 331 A HN -0.025 nan 8.150 nan 0.000 0.414 332 T N -1.288 113.335 114.554 0.115 0.000 2.886 332 T HA 0.729 5.084 4.350 0.009 0.000 0.292 332 T C -0.685 174.147 174.700 0.221 0.000 1.012 332 T CA -0.465 61.757 62.100 0.204 0.000 0.982 332 T CB 1.601 70.636 68.868 0.279 0.000 1.018 332 T HN 0.673 nan 8.240 nan 0.000 0.451 333 T N 2.755 117.469 114.554 0.267 0.000 2.788 333 T HA 0.508 4.863 4.350 0.009 0.000 0.296 333 T C -0.269 174.613 174.700 0.302 0.000 1.009 333 T CA -0.540 61.726 62.100 0.276 0.000 0.949 333 T CB 0.899 69.956 68.868 0.316 0.000 0.946 333 T HN 0.642 nan 8.240 nan 0.000 0.453 334 V N 5.889 125.939 119.914 0.226 0.000 2.333 334 V HA 0.364 4.489 4.120 0.009 0.000 0.274 334 V C 0.071 176.265 176.094 0.168 0.000 1.028 334 V CA -0.757 61.666 62.300 0.206 0.000 0.851 334 V CB 0.742 32.608 31.823 0.071 0.000 1.000 334 V HN 0.748 nan 8.190 nan 0.000 0.456 335 L N 4.206 125.543 121.223 0.190 0.000 2.292 335 L HA 0.570 4.915 4.340 0.009 0.000 0.284 335 L C 0.387 177.331 176.870 0.124 0.000 1.065 335 L CA 0.225 55.157 54.840 0.153 0.000 0.806 335 L CB 1.559 43.717 42.059 0.165 0.000 1.175 335 L HN 0.651 nan 8.230 nan 0.000 0.431 336 S N 2.338 118.095 115.700 0.094 0.000 2.532 336 S HA 0.335 4.810 4.470 0.009 0.000 0.299 336 S C 0.670 175.306 174.600 0.060 0.000 1.105 336 S CA -0.783 57.458 58.200 0.068 0.000 1.018 336 S CB 1.800 65.026 63.200 0.044 0.000 1.021 336 S HN 0.745 nan 8.310 nan 0.000 0.483 337 R N 3.549 124.083 120.500 0.057 0.000 2.092 337 R HA -0.006 4.339 4.340 0.009 0.000 0.231 337 R C 2.061 178.380 176.300 0.031 0.000 1.119 337 R CA 1.802 57.933 56.100 0.052 0.000 0.970 337 R CB -0.685 29.645 30.300 0.050 0.000 0.864 337 R HN 0.751 nan 8.270 nan 0.000 0.440 338 A N 1.553 124.385 122.820 0.019 0.000 1.883 338 A HA -0.160 4.165 4.320 0.009 0.000 0.217 338 A C 2.109 179.687 177.584 -0.011 0.000 1.186 338 A CA 1.440 53.478 52.037 0.003 0.000 0.624 338 A CB -0.487 18.512 19.000 -0.002 0.000 0.822 338 A HN 0.323 nan 8.150 nan 0.000 0.444 339 I N -0.252 120.313 120.570 -0.009 0.000 2.315 339 I HA -0.229 3.946 4.170 0.009 0.000 0.248 339 I C 2.900 178.962 176.117 -0.091 0.000 1.117 339 I CA 1.449 62.730 61.300 -0.033 0.000 1.404 339 I CB -1.454 36.540 38.000 -0.010 0.000 1.071 339 I HN 0.383 nan 8.210 nan 0.000 0.419 340 A N 0.573 123.361 122.820 -0.053 0.000 1.930 340 A HA -0.179 4.146 4.320 0.009 0.000 0.217 340 A C 2.141 179.674 177.584 -0.085 0.000 1.175 340 A CA 1.265 53.257 52.037 -0.075 0.000 0.627 340 A CB -0.541 18.536 19.000 0.128 0.000 0.815 340 A HN 0.463 nan 8.150 nan 0.000 0.443 341 E N -0.382 119.803 120.200 -0.026 0.000 2.418 341 E HA 0.036 4.391 4.350 0.009 0.000 0.197 341 E C 1.185 177.759 176.600 -0.043 0.000 1.026 341 E CA 0.238 56.632 56.400 -0.009 0.000 0.862 341 E CB -0.114 29.590 29.700 0.007 0.000 0.799 341 E HN 0.593 nan 8.360 nan 0.000 0.518 342 L N -0.415 120.758 121.223 -0.082 0.000 2.591 342 L HA 0.143 4.488 4.340 0.009 0.000 0.228 342 L C 1.350 178.136 176.870 -0.141 0.000 1.133 342 L CA 0.279 55.066 54.840 -0.089 0.000 0.880 342 L CB 0.033 42.053 42.059 -0.065 0.000 1.033 342 L HN 0.275 nan 8.230 nan 0.000 0.450 343 G N 0.489 109.151 108.800 -0.231 0.000 2.162 343 G HA2 -0.259 3.706 3.960 0.009 0.000 0.260 343 G HA3 -0.259 3.706 3.960 0.009 0.000 0.260 343 G C 0.305 174.911 174.900 -0.489 0.000 0.976 343 G CA -0.289 44.620 45.100 -0.318 0.000 0.655 343 G HN 0.175 nan 8.290 nan 0.000 0.533 344 I N 1.105 121.406 120.570 -0.448 0.000 2.436 344 I HA 0.378 4.553 4.170 0.009 0.000 0.289 344 I C -0.086 175.707 176.117 -0.541 0.000 1.083 344 I CA -0.614 60.515 61.300 -0.286 0.000 1.372 344 I CB -0.551 37.388 38.000 -0.102 0.000 1.408 344 I HN 0.072 nan 8.210 nan 0.000 0.516 345 Y N 7.261 127.537 120.300 -0.041 0.000 2.391 345 Y HA 0.441 4.996 4.550 0.008 0.000 0.341 345 Y C -2.123 173.589 175.900 -0.315 0.000 0.965 345 Y CA -3.148 54.850 58.100 -0.171 0.000 1.067 345 Y CB 1.503 39.841 38.460 -0.203 0.000 1.199 345 Y HN 0.418 nan 8.280 nan 0.000 0.450 346 P HA 0.091 nan 4.420 nan 0.000 0.271 346 P C -0.102 177.232 177.300 0.057 0.000 1.218 346 P CA -0.158 62.915 63.100 -0.046 0.000 0.780 346 P CB 1.117 32.853 31.700 0.060 0.000 0.901 347 A N 3.296 126.191 122.820 0.124 0.000 2.305 347 A HA 0.151 4.476 4.320 0.009 0.000 0.236 347 A C 0.589 178.221 177.584 0.081 0.000 1.392 347 A CA -0.138 51.945 52.037 0.078 0.000 1.205 347 A CB -1.255 17.817 19.000 0.121 0.000 0.881 347 A HN 0.381 nan 8.150 nan 0.000 0.558 348 V N 1.352 121.317 119.914 0.084 0.000 2.508 348 V HA 0.034 4.159 4.120 0.009 0.000 0.281 348 V C 0.452 176.584 176.094 0.063 0.000 1.041 348 V CA -0.527 61.829 62.300 0.095 0.000 1.016 348 V CB 1.095 32.984 31.823 0.110 0.000 0.984 348 V HN 0.559 nan 8.190 nan 0.000 0.478 349 D N 8.235 128.672 120.400 0.061 0.000 2.358 349 D HA 0.120 4.766 4.640 0.009 0.000 0.258 349 D C -1.309 175.010 176.300 0.032 0.000 1.223 349 D CA -1.661 52.361 54.000 0.037 0.000 0.886 349 D CB 1.925 42.741 40.800 0.027 0.000 1.120 349 D HN 0.289 nan 8.370 nan 0.000 0.482 350 P HA -0.038 nan 4.420 nan 0.000 0.225 350 P C 1.390 178.690 177.300 -0.001 0.000 1.156 350 P CA 0.527 63.631 63.100 0.007 0.000 0.787 350 P CB 0.562 32.261 31.700 -0.000 0.000 0.802 351 L N -1.093 120.131 121.223 0.000 0.000 2.470 351 L HA 0.170 4.515 4.340 0.009 0.000 0.219 351 L C 2.234 179.098 176.870 -0.010 0.000 1.071 351 L CA 0.558 55.394 54.840 -0.007 0.000 0.850 351 L CB -0.478 41.575 42.059 -0.010 0.000 1.040 351 L HN -0.112 nan 8.230 nan 0.000 0.475 352 D N 0.054 120.448 120.400 -0.010 0.000 2.213 352 D HA -0.003 4.643 4.640 0.009 0.000 0.205 352 D C 0.635 176.925 176.300 -0.016 0.000 0.961 352 D CA 0.351 54.335 54.000 -0.028 0.000 0.853 352 D CB 0.445 41.222 40.800 -0.038 0.000 0.967 352 D HN 0.075 nan 8.370 nan 0.000 0.496 353 S N 0.025 115.738 115.700 0.022 0.000 2.549 353 S HA 0.328 4.803 4.470 0.009 0.000 0.279 353 S C 0.387 175.020 174.600 0.056 0.000 1.321 353 S CA -0.279 57.956 58.200 0.059 0.000 1.054 353 S CB 1.443 64.700 63.200 0.095 0.000 0.899 353 S HN 0.326 nan 8.310 nan 0.000 0.497 354 T N -0.732 113.867 114.554 0.076 0.000 2.896 354 T HA 0.759 5.114 4.350 0.009 0.000 0.297 354 T C -0.694 174.059 174.700 0.088 0.000 1.108 354 T CA -0.854 61.287 62.100 0.069 0.000 1.004 354 T CB 1.867 70.770 68.868 0.060 0.000 1.159 354 T HN 0.416 nan 8.240 nan 0.000 0.499 355 S N -0.646 115.099 115.700 0.075 0.000 2.548 355 S HA 0.419 4.895 4.470 0.009 0.000 0.276 355 S C 0.725 175.357 174.600 0.053 0.000 1.129 355 S CA -0.861 57.382 58.200 0.072 0.000 0.931 355 S CB 1.668 64.919 63.200 0.084 0.000 1.068 355 S HN 0.764 nan 8.310 nan 0.000 0.480 356 R N 2.088 122.613 120.500 0.042 0.000 2.148 356 R HA 0.039 4.384 4.340 0.009 0.000 0.227 356 R C 1.641 177.949 176.300 0.013 0.000 1.103 356 R CA 1.711 57.828 56.100 0.027 0.000 0.983 356 R CB -0.442 29.869 30.300 0.019 0.000 0.874 356 R HN 0.817 nan 8.270 nan 0.000 0.451 357 I N -2.696 117.881 120.570 0.011 0.000 3.812 357 I HA 0.145 4.321 4.170 0.009 0.000 0.320 357 I C 0.482 176.585 176.117 -0.023 0.000 1.276 357 I CA -0.110 61.184 61.300 -0.009 0.000 1.164 357 I CB 0.211 38.208 38.000 -0.005 0.000 1.009 357 I HN -0.107 nan 8.210 nan 0.000 0.431 358 M N 3.320 122.924 119.600 0.006 0.000 3.268 358 M HA 0.231 4.716 4.480 0.009 0.000 0.249 358 M C -0.758 175.603 176.300 0.100 0.000 1.527 358 M CA 0.665 55.988 55.300 0.037 0.000 1.645 358 M CB -1.537 31.103 32.600 0.067 0.000 1.193 358 M HN 0.342 nan 8.290 nan 0.000 0.534 359 D N 3.841 124.231 120.400 -0.017 0.000 2.990 359 D HA 0.317 4.962 4.640 0.009 0.000 0.227 359 D C -2.323 173.808 176.300 -0.281 0.000 1.249 359 D CA -1.148 52.725 54.000 -0.210 0.000 0.891 359 D CB 2.948 43.667 40.800 -0.134 0.000 1.647 359 D HN 0.098 nan 8.370 nan 0.000 0.530 360 P HA -0.069 nan 4.420 nan 0.000 0.220 360 P C 0.543 177.755 177.300 -0.147 0.000 1.148 360 P CA 0.936 63.855 63.100 -0.302 0.000 0.803 360 P CB 0.349 31.808 31.700 -0.401 0.000 0.782 361 N N -0.906 117.700 118.700 -0.157 0.000 2.550 361 N HA 0.051 4.796 4.740 0.009 0.000 0.186 361 N C 1.565 177.039 175.510 -0.060 0.000 1.110 361 N CA 0.370 53.366 53.050 -0.090 0.000 0.912 361 N CB -0.170 38.265 38.487 -0.087 0.000 0.968 361 N HN 0.239 nan 8.380 nan 0.000 0.448 362 I N -1.396 119.136 120.570 -0.064 0.000 3.739 362 I HA -0.018 4.157 4.170 0.009 0.000 0.272 362 I C 1.516 177.621 176.117 -0.019 0.000 1.167 362 I CA 0.195 61.472 61.300 -0.038 0.000 1.386 362 I CB 0.264 38.238 38.000 -0.042 0.000 1.490 362 I HN -0.034 nan 8.210 nan 0.000 0.452 363 V N -0.990 118.904 119.914 -0.034 0.000 3.647 363 V HA 0.600 4.725 4.120 0.009 0.000 0.279 363 V C 0.802 176.943 176.094 0.077 0.000 1.314 363 V CA 0.189 62.485 62.300 -0.006 0.000 1.125 363 V CB -0.884 30.808 31.823 -0.218 0.000 0.907 363 V HN 0.499 nan 8.190 nan 0.000 0.434 364 G N 0.062 108.892 108.800 0.050 0.000 2.692 364 G HA2 -0.142 3.823 3.960 0.009 0.000 0.686 364 G HA3 -0.142 3.823 3.960 0.009 0.000 0.686 364 G C 0.237 175.208 174.900 0.119 0.000 1.243 364 G CA 0.052 45.201 45.100 0.081 0.000 0.782 364 G HN 0.540 nan 8.290 nan 0.000 0.625 365 S N -0.596 115.165 115.700 0.103 0.000 2.402 365 S HA -0.080 4.395 4.470 0.009 0.000 0.229 365 S C 1.927 176.642 174.600 0.193 0.000 1.021 365 S CA 2.104 60.390 58.200 0.144 0.000 0.974 365 S CB -0.151 63.105 63.200 0.093 0.000 0.800 365 S HN 0.706 nan 8.310 nan 0.000 0.484 366 E N -0.246 120.050 120.200 0.160 0.000 2.028 366 E HA -0.195 4.160 4.350 0.009 0.000 0.190 366 E C 1.923 178.642 176.600 0.199 0.000 0.984 366 E CA 1.095 57.584 56.400 0.149 0.000 0.800 366 E CB -0.389 29.378 29.700 0.111 0.000 0.758 366 E HN 0.788 nan 8.360 nan 0.000 0.448 367 H N -1.326 117.807 119.070 0.105 0.000 2.319 367 H HA -0.239 4.323 4.556 0.009 0.000 0.297 367 H C 2.129 177.523 175.328 0.111 0.000 1.097 367 H CA 1.786 57.895 56.048 0.101 0.000 1.285 367 H CB -0.098 29.724 29.762 0.101 0.000 1.368 367 H HN 0.278 nan 8.280 nan 0.000 0.495 368 Y N 1.501 121.890 120.300 0.149 0.000 2.145 368 Y HA -0.215 4.341 4.550 0.009 0.000 0.286 368 Y C 1.947 177.887 175.900 0.067 0.000 1.145 368 Y CA 1.897 60.026 58.100 0.048 0.000 1.148 368 Y CB -0.277 38.185 38.460 0.004 0.000 0.981 368 Y HN 0.306 nan 8.280 nan 0.000 0.507 369 D N -0.750 119.683 120.400 0.055 0.000 2.178 369 D HA -0.139 4.506 4.640 0.009 0.000 0.202 369 D C 2.344 178.620 176.300 -0.039 0.000 0.974 369 D CA 1.339 55.319 54.000 -0.033 0.000 0.841 369 D CB -0.208 40.631 40.800 0.065 0.000 0.953 369 D HN 0.325 nan 8.370 nan 0.000 0.478 370 V N 1.211 121.143 119.914 0.030 0.000 2.346 370 V HA -0.140 3.985 4.120 0.009 0.000 0.244 370 V C 2.516 178.609 176.094 -0.001 0.000 1.037 370 V CA 1.529 63.855 62.300 0.043 0.000 1.029 370 V CB -0.721 31.158 31.823 0.094 0.000 0.663 370 V HN 0.150 nan 8.190 nan 0.000 0.454 371 A N 0.248 123.074 122.820 0.009 0.000 1.865 371 A HA -0.235 4.090 4.320 0.009 0.000 0.217 371 A C 2.330 179.837 177.584 -0.128 0.000 1.191 371 A CA 1.740 53.750 52.037 -0.045 0.000 0.623 371 A CB -0.553 18.458 19.000 0.017 0.000 0.826 371 A HN 0.390 nan 8.150 nan 0.000 0.444 372 R N -0.682 119.674 120.500 -0.239 0.000 2.159 372 R HA -0.130 4.215 4.340 0.009 0.000 0.237 372 R C 2.249 178.466 176.300 -0.138 0.000 1.131 372 R CA 1.255 57.200 56.100 -0.259 0.000 0.982 372 R CB -1.108 28.914 30.300 -0.464 0.000 0.868 372 R HN 0.580 nan 8.270 nan 0.000 0.453 373 G N -0.036 108.705 108.800 -0.098 0.000 2.403 373 G HA2 -0.126 3.839 3.960 0.009 0.000 0.216 373 G HA3 -0.126 3.839 3.960 0.009 0.000 0.216 373 G C 1.541 176.424 174.900 -0.029 0.000 1.154 373 G CA 0.288 45.361 45.100 -0.045 0.000 0.784 373 G HN 0.137 nan 8.290 nan 0.000 0.538 374 V N 0.461 120.350 119.914 -0.043 0.000 2.307 374 V HA -0.208 3.918 4.120 0.009 0.000 0.245 374 V C 2.874 178.941 176.094 -0.045 0.000 1.045 374 V CA 2.080 64.351 62.300 -0.048 0.000 1.024 374 V CB -0.575 31.163 31.823 -0.142 0.000 0.651 374 V HN 0.382 nan 8.190 nan 0.000 0.449 375 Q N -0.094 119.670 119.800 -0.061 0.000 2.061 375 Q HA -0.297 4.048 4.340 0.009 0.000 0.204 375 Q C 2.305 178.292 176.000 -0.023 0.000 0.984 375 Q CA 2.154 57.931 55.803 -0.043 0.000 0.846 375 Q CB -0.272 28.433 28.738 -0.056 0.000 0.902 375 Q HN 0.500 nan 8.270 nan 0.000 0.421 376 K N 1.216 121.599 120.400 -0.029 0.000 2.009 376 K HA -0.168 4.157 4.320 0.009 0.000 0.210 376 K C 1.739 178.344 176.600 0.008 0.000 1.049 376 K CA 1.383 57.662 56.287 -0.013 0.000 0.929 376 K CB -0.535 31.953 32.500 -0.021 0.000 0.714 376 K HN 0.243 nan 8.250 nan 0.000 0.440 377 I N 0.211 120.787 120.570 0.010 0.000 2.226 377 I HA -0.258 3.918 4.170 0.009 0.000 0.245 377 I C 1.820 177.978 176.117 0.068 0.000 1.100 377 I CA 1.191 62.507 61.300 0.026 0.000 1.374 377 I CB 0.023 38.028 38.000 0.008 0.000 1.057 377 I HN 0.230 nan 8.210 nan 0.000 0.413 378 L N -0.088 121.173 121.223 0.064 0.000 2.017 378 L HA -0.255 4.091 4.340 0.009 0.000 0.208 378 L C 2.598 179.522 176.870 0.090 0.000 1.073 378 L CA 1.487 56.391 54.840 0.107 0.000 0.745 378 L CB -0.785 41.312 42.059 0.063 0.000 0.894 378 L HN 0.317 nan 8.230 nan 0.000 0.432 379 Q N -0.063 119.762 119.800 0.042 0.000 2.030 379 Q HA -0.243 4.102 4.340 0.009 0.000 0.204 379 Q C 1.913 177.931 176.000 0.031 0.000 0.986 379 Q CA 1.881 57.696 55.803 0.020 0.000 0.843 379 Q CB -0.129 28.612 28.738 0.005 0.000 0.904 379 Q HN 0.453 nan 8.270 nan 0.000 0.420 380 D N -0.426 120.004 120.400 0.050 0.000 2.123 380 D HA -0.173 4.472 4.640 0.009 0.000 0.196 380 D C 1.622 177.986 176.300 0.106 0.000 0.992 380 D CA 0.948 54.983 54.000 0.059 0.000 0.833 380 D CB -0.292 40.540 40.800 0.052 0.000 0.954 380 D HN 0.257 nan 8.370 nan 0.000 0.455 381 Y N 1.666 121.958 120.300 -0.013 0.000 2.274 381 Y HA -0.130 4.425 4.550 0.009 0.000 0.290 381 Y C 2.107 177.999 175.900 -0.013 0.000 1.145 381 Y CA 1.235 59.328 58.100 -0.013 0.000 1.203 381 Y CB -0.159 38.294 38.460 -0.013 0.000 0.984 381 Y HN -0.164 nan 8.280 nan 0.000 0.533 382 K N -0.671 119.658 120.400 -0.119 0.000 2.148 382 K HA -0.101 4.224 4.320 0.009 0.000 0.204 382 K C 2.178 178.700 176.600 -0.130 0.000 1.050 382 K CA 1.329 57.496 56.287 -0.199 0.000 0.942 382 K CB -0.089 32.346 32.500 -0.109 0.000 0.724 382 K HN 0.210 nan 8.250 nan 0.000 0.446 383 S N 0.776 116.441 115.700 -0.058 0.000 2.423 383 S HA -0.022 4.453 4.470 0.009 0.000 0.231 383 S C 1.585 176.167 174.600 -0.031 0.000 1.014 383 S CA 0.758 58.937 58.200 -0.035 0.000 0.965 383 S CB -0.020 63.174 63.200 -0.010 0.000 0.785 383 S HN 0.244 nan 8.310 nan 0.000 0.495 384 L N 0.837 122.047 121.223 -0.021 0.000 2.375 384 L HA 0.072 4.418 4.340 0.009 0.000 0.215 384 L C 2.435 179.286 176.870 -0.032 0.000 1.108 384 L CA 0.487 55.330 54.840 0.005 0.000 0.830 384 L CB -0.360 41.749 42.059 0.082 0.000 0.959 384 L HN 0.258 nan 8.230 nan 0.000 0.457 385 Q N 0.294 120.023 119.800 -0.119 0.000 2.181 385 Q HA -0.241 4.104 4.340 0.009 0.000 0.205 385 Q C 1.461 177.413 176.000 -0.079 0.000 0.980 385 Q CA 1.848 57.563 55.803 -0.145 0.000 0.862 385 Q CB -0.058 28.520 28.738 -0.266 0.000 0.905 385 Q HN 0.501 nan 8.270 nan 0.000 0.429 386 D N 0.158 120.520 120.400 -0.064 0.000 2.144 386 D HA -0.115 4.530 4.640 0.009 0.000 0.200 386 D C 1.524 177.809 176.300 -0.025 0.000 0.978 386 D CA 0.941 54.916 54.000 -0.041 0.000 0.833 386 D CB 0.064 40.842 40.800 -0.036 0.000 0.961 386 D HN 0.212 nan 8.370 nan 0.000 0.470 387 I N 0.575 121.134 120.570 -0.018 0.000 2.439 387 I HA -0.163 4.013 4.170 0.009 0.000 0.251 387 I C 1.685 177.802 176.117 -0.000 0.000 1.139 387 I CA 0.353 61.649 61.300 -0.006 0.000 1.438 387 I CB -0.119 37.882 38.000 0.001 0.000 1.085 387 I HN 0.064 nan 8.210 nan 0.000 0.427 388 I N 1.333 121.904 120.570 0.001 0.000 2.252 388 I HA -0.199 3.976 4.170 0.009 0.000 0.245 388 I C 2.756 178.874 176.117 0.001 0.000 1.102 388 I CA 1.489 62.795 61.300 0.010 0.000 1.385 388 I CB -1.606 36.407 38.000 0.022 0.000 1.064 388 I HN 0.161 nan 8.210 nan 0.000 0.414 389 A N 0.320 123.134 122.820 -0.010 0.000 2.172 389 A HA -0.048 4.277 4.320 0.009 0.000 0.216 389 A C 2.127 179.706 177.584 -0.008 0.000 1.154 389 A CA 1.046 53.077 52.037 -0.011 0.000 0.701 389 A CB -0.255 18.733 19.000 -0.019 0.000 0.789 389 A HN 0.287 nan 8.150 nan 0.000 0.465 390 I N -1.932 118.634 120.570 -0.006 0.000 3.345 390 I HA 0.137 4.312 4.170 0.009 0.000 0.258 390 I C 2.027 178.143 176.117 -0.001 0.000 1.134 390 I CA 0.798 62.095 61.300 -0.005 0.000 1.457 390 I CB -0.976 37.021 38.000 -0.006 0.000 1.425 390 I HN 0.212 nan 8.210 nan 0.000 0.461 391 L N -0.034 121.190 121.223 0.001 0.000 2.408 391 L HA 0.392 4.737 4.340 0.009 0.000 0.215 391 L C 0.799 177.672 176.870 0.005 0.000 1.081 391 L CA 0.494 55.336 54.840 0.003 0.000 0.840 391 L CB 0.192 42.253 42.059 0.004 0.000 1.002 391 L HN 0.437 nan 8.230 nan 0.000 0.468 392 G N -0.513 108.292 108.800 0.007 0.000 2.663 392 G HA2 -0.250 3.715 3.960 0.009 0.000 0.686 392 G HA3 -0.250 3.715 3.960 0.009 0.000 0.686 392 G C -0.070 174.839 174.900 0.015 0.000 1.246 392 G CA -0.133 44.973 45.100 0.010 0.000 0.795 392 G HN -0.025 nan 8.290 nan 0.000 0.627 393 M N -0.218 119.393 119.600 0.018 0.000 2.595 393 M HA 0.095 4.580 4.480 0.009 0.000 0.248 393 M C 1.289 177.599 176.300 0.016 0.000 1.119 393 M CA 1.301 56.614 55.300 0.023 0.000 1.079 393 M CB 0.037 32.654 32.600 0.028 0.000 1.472 393 M HN 0.511 nan 8.290 nan 0.000 0.501 394 D N 0.157 120.565 120.400 0.012 0.000 2.328 394 D HA -0.010 4.635 4.640 0.009 0.000 0.221 394 D C 0.739 177.044 176.300 0.008 0.000 1.072 394 D CA 0.445 54.450 54.000 0.009 0.000 0.850 394 D CB 0.316 41.121 40.800 0.008 0.000 0.922 394 D HN 0.207 nan 8.370 nan 0.000 0.516 395 E N 0.151 120.356 120.200 0.010 0.000 2.558 395 E HA 0.170 4.525 4.350 0.009 0.000 0.205 395 E C -0.056 176.550 176.600 0.009 0.000 1.006 395 E CA -0.092 56.313 56.400 0.008 0.000 0.961 395 E CB 0.839 30.543 29.700 0.007 0.000 1.044 395 E HN 0.324 nan 8.360 nan 0.000 0.465 396 L N 1.512 122.742 121.223 0.012 0.000 2.325 396 L HA 0.240 4.585 4.340 0.009 0.000 0.279 396 L C 0.931 177.807 176.870 0.010 0.000 1.054 396 L CA -0.734 54.114 54.840 0.013 0.000 0.804 396 L CB 1.248 43.319 42.059 0.019 0.000 1.200 396 L HN -0.058 nan 8.230 nan 0.000 0.436 397 S N 0.569 116.274 115.700 0.009 0.000 2.566 397 S HA 0.017 4.492 4.470 0.009 0.000 0.280 397 S C 0.849 175.452 174.600 0.005 0.000 1.343 397 S CA -0.554 57.650 58.200 0.006 0.000 1.036 397 S CB 0.769 63.973 63.200 0.006 0.000 0.866 397 S HN 0.613 nan 8.310 nan 0.000 0.526 398 E N 0.756 120.957 120.200 0.003 0.000 2.401 398 E HA -0.145 4.210 4.350 0.009 0.000 0.199 398 E C 1.620 178.219 176.600 -0.001 0.000 1.023 398 E CA 0.906 57.307 56.400 0.001 0.000 0.859 398 E CB -0.171 29.529 29.700 0.000 0.000 0.780 398 E HN 0.917 nan 8.360 nan 0.000 0.523 399 E N 0.588 120.789 120.200 0.000 0.000 2.122 399 E HA -0.127 4.229 4.350 0.009 0.000 0.190 399 E C 0.897 177.497 176.600 0.001 0.000 0.977 399 E CA 0.641 57.041 56.400 -0.001 0.000 0.820 399 E CB 0.289 29.990 29.700 0.001 0.000 0.770 399 E HN 0.047 nan 8.360 nan 0.000 0.462 400 D N 0.653 121.057 120.400 0.006 0.000 2.149 400 D HA -0.077 4.568 4.640 0.009 0.000 0.201 400 D C 1.680 177.986 176.300 0.011 0.000 0.972 400 D CA 0.773 54.781 54.000 0.014 0.000 0.835 400 D CB 0.007 40.819 40.800 0.021 0.000 0.966 400 D HN 0.085 nan 8.370 nan 0.000 0.476 401 K N -0.021 120.382 120.400 0.005 0.000 2.063 401 K HA -0.133 4.193 4.320 0.009 0.000 0.208 401 K C 1.852 178.440 176.600 -0.021 0.000 1.048 401 K CA 0.625 56.911 56.287 -0.003 0.000 0.928 401 K CB -0.107 32.392 32.500 -0.001 0.000 0.713 401 K HN 0.062 nan 8.250 nan 0.000 0.442 402 L N 0.808 122.019 121.223 -0.020 0.000 2.109 402 L HA -0.123 4.222 4.340 0.009 0.000 0.207 402 L C 2.363 179.200 176.870 -0.054 0.000 1.086 402 L CA 1.745 56.565 54.840 -0.032 0.000 0.760 402 L CB -0.677 41.369 42.059 -0.021 0.000 0.910 402 L HN 0.299 nan 8.230 nan 0.000 0.437 403 T N -4.579 109.950 114.554 -0.042 0.000 2.867 403 T HA -0.103 4.252 4.350 0.009 0.000 0.268 403 T C 1.885 176.508 174.700 -0.129 0.000 1.057 403 T CA 1.174 63.241 62.100 -0.054 0.000 1.136 403 T CB -0.750 68.114 68.868 -0.006 0.000 0.874 403 T HN 0.093 nan 8.240 nan 0.000 0.466 404 V N 1.812 121.650 119.914 -0.127 0.000 2.307 404 V HA -0.155 3.971 4.120 0.009 0.000 0.245 404 V C 3.005 178.896 176.094 -0.338 0.000 1.045 404 V CA 1.933 64.064 62.300 -0.283 0.000 1.024 404 V CB -0.974 30.803 31.823 -0.077 0.000 0.651 404 V HN 0.485 nan 8.190 nan 0.000 0.449 405 S N -0.218 115.371 115.700 -0.185 0.000 2.359 405 S HA -0.242 4.233 4.470 0.009 0.000 0.224 405 S C 2.125 176.600 174.600 -0.208 0.000 1.035 405 S CA 1.848 59.952 58.200 -0.161 0.000 1.018 405 S CB -0.319 62.826 63.200 -0.092 0.000 0.876 405 S HN 0.528 nan 8.310 nan 0.000 0.448 406 R N 0.978 121.365 120.500 -0.189 0.000 2.062 406 R HA 0.100 4.445 4.340 0.009 0.000 0.229 406 R C 2.675 178.846 176.300 -0.215 0.000 1.128 406 R CA 1.074 57.059 56.100 -0.192 0.000 0.960 406 R CB -0.549 29.680 30.300 -0.118 0.000 0.855 406 R HN 0.392 nan 8.270 nan 0.000 0.432 407 A N 1.386 124.057 122.820 -0.249 0.000 1.883 407 A HA -0.217 4.109 4.320 0.009 0.000 0.217 407 A C 2.100 179.518 177.584 -0.277 0.000 1.186 407 A CA 1.487 53.370 52.037 -0.257 0.000 0.624 407 A CB -0.433 18.341 19.000 -0.377 0.000 0.822 407 A HN 0.221 nan 8.150 nan 0.000 0.444 408 R N -0.512 119.739 120.500 -0.416 0.000 2.096 408 R HA -0.100 4.245 4.340 0.009 0.000 0.235 408 R C 2.221 178.429 176.300 -0.154 0.000 1.127 408 R CA 1.689 57.632 56.100 -0.263 0.000 0.968 408 R CB -0.234 29.907 30.300 -0.266 0.000 0.861 408 R HN 0.528 nan 8.270 nan 0.000 0.440 409 K N 0.312 120.557 120.400 -0.258 0.000 2.097 409 K HA -0.067 4.258 4.320 0.009 0.000 0.205 409 K C 2.003 178.447 176.600 -0.260 0.000 1.050 409 K CA 1.119 57.144 56.287 -0.436 0.000 0.938 409 K CB -0.052 31.865 32.500 -0.971 0.000 0.718 409 K HN 0.128 nan 8.250 nan 0.000 0.442 410 I N 1.358 121.856 120.570 -0.120 0.000 2.226 410 I HA -0.313 3.862 4.170 0.009 0.000 0.245 410 I C 2.408 178.678 176.117 0.255 0.000 1.100 410 I CA 1.330 62.734 61.300 0.173 0.000 1.374 410 I CB -0.205 37.902 38.000 0.178 0.000 1.057 410 I HN 0.236 nan 8.210 nan 0.000 0.413 411 Q N 0.189 120.063 119.800 0.122 0.000 2.152 411 Q HA -0.263 4.082 4.340 0.009 0.000 0.206 411 Q C 2.359 178.465 176.000 0.176 0.000 0.985 411 Q CA 1.712 57.595 55.803 0.133 0.000 0.863 411 Q CB -0.110 28.688 28.738 0.100 0.000 0.904 411 Q HN 0.447 nan 8.270 nan 0.000 0.422 412 R N -0.821 119.797 120.500 0.195 0.000 2.080 412 R HA -0.043 4.302 4.340 0.009 0.000 0.222 412 R C 1.800 178.298 176.300 0.330 0.000 1.107 412 R CA 0.702 56.975 56.100 0.287 0.000 0.980 412 R CB -0.115 30.370 30.300 0.309 0.000 0.879 412 R HN 0.141 nan 8.270 nan 0.000 0.439 413 F N 0.874 120.932 119.950 0.179 0.000 2.546 413 F HA 0.001 4.533 4.527 0.009 0.000 0.298 413 F C 1.349 177.315 175.800 0.277 0.000 1.120 413 F CA 0.874 58.953 58.000 0.132 0.000 1.456 413 F CB 0.137 39.085 39.000 -0.086 0.000 1.088 413 F HN -0.039 nan 8.300 nan 0.000 0.572 414 L N -0.736 120.700 121.223 0.356 0.000 2.341 414 L HA -0.015 4.330 4.340 0.009 0.000 0.214 414 L C 1.570 178.483 176.870 0.071 0.000 1.115 414 L CA 0.337 55.331 54.840 0.256 0.000 0.820 414 L CB -0.634 41.532 42.059 0.179 0.000 0.944 414 L HN 0.111 nan 8.230 nan 0.000 0.452 415 S N -0.233 115.489 115.700 0.037 0.000 2.624 415 S HA 0.344 4.819 4.470 0.009 0.000 0.263 415 S C -0.292 174.221 174.600 -0.145 0.000 1.287 415 S CA -0.457 57.708 58.200 -0.058 0.000 0.990 415 S CB 1.737 64.900 63.200 -0.062 0.000 0.950 415 S HN 0.279 nan 8.310 nan 0.000 0.561 416 Q N 0.227 119.914 119.800 -0.187 0.000 2.518 416 Q HA 0.322 4.667 4.340 0.009 0.000 0.254 416 Q C -3.222 172.675 176.000 -0.173 0.000 0.962 416 Q CA -1.442 54.271 55.803 -0.151 0.000 0.982 416 Q CB 1.983 30.700 28.738 -0.036 0.000 1.516 416 Q HN 0.576 nan 8.270 nan 0.000 0.426 417 P HA 0.211 nan 4.420 nan 0.000 0.276 417 P C -1.004 176.432 177.300 0.226 0.000 1.230 417 P CA 0.188 63.284 63.100 -0.008 0.000 0.776 417 P CB 0.385 32.094 31.700 0.015 0.000 0.888 418 F N 1.055 121.012 119.950 0.010 0.000 2.422 418 F HA 0.233 4.765 4.527 0.009 0.000 0.333 418 F C 2.190 178.000 175.800 0.017 0.000 1.095 418 F CA -0.762 57.245 58.000 0.012 0.000 1.038 418 F CB 2.129 41.138 39.000 0.015 0.000 1.156 418 F HN 0.391 nan 8.300 nan 0.000 0.483 419 Q N 1.435 121.327 119.800 0.154 0.000 2.119 419 Q HA -0.118 4.227 4.340 0.009 0.000 0.201 419 Q C 1.728 177.776 176.000 0.080 0.000 0.972 419 Q CA 1.146 56.995 55.803 0.077 0.000 0.847 419 Q CB 0.125 28.872 28.738 0.015 0.000 0.903 419 Q HN 0.623 nan 8.270 nan 0.000 0.433 420 V N 0.278 120.242 119.914 0.083 0.000 3.078 420 V HA -0.081 4.045 4.120 0.009 0.000 0.265 420 V C 1.344 177.522 176.094 0.140 0.000 1.122 420 V CA 1.407 63.757 62.300 0.083 0.000 1.141 420 V CB -0.040 31.811 31.823 0.047 0.000 0.735 420 V HN 0.440 nan 8.190 nan 0.000 0.498 421 A N -1.424 121.500 122.820 0.173 0.000 2.500 421 A HA 0.218 4.544 4.320 0.009 0.000 0.267 421 A C 1.626 179.298 177.584 0.146 0.000 1.290 421 A CA -0.044 52.103 52.037 0.184 0.000 0.928 421 A CB -0.181 18.900 19.000 0.135 0.000 1.066 421 A HN 0.534 nan 8.150 nan 0.000 0.516 422 E N -0.280 119.980 120.200 0.101 0.000 2.204 422 E HA -0.134 4.221 4.350 0.009 0.000 0.195 422 E C 1.704 178.305 176.600 0.002 0.000 0.990 422 E CA 1.325 57.754 56.400 0.048 0.000 0.821 422 E CB -0.087 29.634 29.700 0.034 0.000 0.750 422 E HN 0.526 nan 8.360 nan 0.000 0.477 423 V N 0.163 120.074 119.914 -0.005 0.000 2.239 423 V HA -0.219 3.906 4.120 0.009 0.000 0.242 423 V C 1.861 177.856 176.094 -0.166 0.000 1.038 423 V CA 1.647 63.867 62.300 -0.133 0.000 1.002 423 V CB -0.730 30.936 31.823 -0.261 0.000 0.641 423 V HN 0.193 nan 8.190 nan 0.000 0.449 424 F N 1.541 121.458 119.950 -0.056 0.000 2.269 424 F HA -0.138 4.394 4.527 0.009 0.000 0.301 424 F C 2.573 178.317 175.800 -0.094 0.000 1.082 424 F CA 1.710 59.670 58.000 -0.067 0.000 1.360 424 F CB -0.690 38.272 39.000 -0.063 0.000 1.041 424 F HN 0.364 nan 8.300 nan 0.000 0.512 425 T N -4.992 109.591 114.554 0.049 0.000 3.038 425 T HA 0.453 4.808 4.350 0.009 0.000 0.244 425 T C 1.964 176.475 174.700 -0.314 0.000 1.016 425 T CA 0.665 62.705 62.100 -0.101 0.000 1.098 425 T CB 0.314 69.150 68.868 -0.054 0.000 0.954 425 T HN 0.325 nan 8.240 nan 0.000 0.469 426 G N 1.254 109.925 108.800 -0.215 0.000 2.241 426 G HA2 -0.213 3.752 3.960 0.009 0.000 0.244 426 G HA3 -0.213 3.752 3.960 0.009 0.000 0.244 426 G C -0.007 174.793 174.900 -0.167 0.000 0.998 426 G CA 0.165 45.133 45.100 -0.220 0.000 0.621 426 G HN 0.840 nan 8.290 nan 0.000 0.519 427 H N -0.317 118.761 119.070 0.014 0.000 2.505 427 H HA 0.613 5.174 4.556 0.009 0.000 0.351 427 H C 0.430 175.765 175.328 0.012 0.000 1.151 427 H CA -0.756 55.297 56.048 0.007 0.000 1.339 427 H CB 1.765 31.526 29.762 -0.001 0.000 1.483 427 H HN 0.245 nan 8.280 nan 0.000 0.558 428 L N 1.893 123.201 121.223 0.140 0.000 2.410 428 L HA 0.212 4.557 4.340 0.009 0.000 0.273 428 L C 0.849 177.766 176.870 0.078 0.000 1.152 428 L CA 0.025 54.912 54.840 0.078 0.000 0.855 428 L CB 0.363 42.450 42.059 0.048 0.000 1.129 428 L HN 0.807 nan 8.230 nan 0.000 0.463 429 G N 4.003 112.849 108.800 0.077 0.000 2.527 429 G HA2 0.260 4.225 3.960 0.009 0.000 0.248 429 G HA3 0.260 4.225 3.960 0.009 0.000 0.248 429 G C -0.828 174.110 174.900 0.063 0.000 1.231 429 G CA -0.547 44.610 45.100 0.096 0.000 0.838 429 G HN 0.458 nan 8.290 nan 0.000 0.570 430 K N 1.152 121.599 120.400 0.079 0.000 2.376 430 K HA 0.326 4.651 4.320 0.009 0.000 0.257 430 K C -1.311 175.308 176.600 0.032 0.000 0.939 430 K CA -0.987 55.323 56.287 0.039 0.000 0.809 430 K CB 2.362 34.872 32.500 0.017 0.000 1.121 430 K HN 0.306 nan 8.250 nan 0.000 0.425 431 L N 3.861 125.083 121.223 -0.002 0.000 2.294 431 L HA 0.376 4.722 4.340 0.009 0.000 0.283 431 L C -1.160 175.697 176.870 -0.021 0.000 1.015 431 L CA -0.821 54.004 54.840 -0.024 0.000 0.831 431 L CB 1.271 43.299 42.059 -0.051 0.000 1.217 431 L HN 0.279 nan 8.230 nan 0.000 0.420 432 V N 7.362 127.268 119.914 -0.013 0.000 2.370 432 V HA 0.477 4.602 4.120 0.009 0.000 0.279 432 V C -1.965 174.128 176.094 -0.001 0.000 1.029 432 V CA -1.550 60.747 62.300 -0.005 0.000 0.870 432 V CB 1.156 32.974 31.823 -0.008 0.000 0.984 432 V HN 0.699 nan 8.190 nan 0.000 0.451 433 P HA 0.057 nan 4.420 nan 0.000 0.267 433 P C 0.767 178.078 177.300 0.018 0.000 1.200 433 P CA -0.277 62.826 63.100 0.003 0.000 0.772 433 P CB 0.719 32.420 31.700 0.003 0.000 0.855 434 L N 3.975 125.209 121.223 0.017 0.000 2.043 434 L HA -0.212 4.133 4.340 0.009 0.000 0.212 434 L C 1.862 178.728 176.870 -0.006 0.000 1.075 434 L CA 2.029 56.872 54.840 0.004 0.000 0.752 434 L CB -0.809 41.258 42.059 0.013 0.000 0.891 434 L HN 0.277 nan 8.230 nan 0.000 0.432 435 K N -0.669 119.738 120.400 0.011 0.000 2.209 435 K HA -0.167 4.158 4.320 0.009 0.000 0.204 435 K C 1.954 178.578 176.600 0.041 0.000 1.048 435 K CA 1.621 57.920 56.287 0.019 0.000 0.940 435 K CB -0.074 32.441 32.500 0.025 0.000 0.729 435 K HN 0.534 nan 8.250 nan 0.000 0.451 436 E N -0.198 120.032 120.200 0.050 0.000 2.076 436 E HA -0.087 4.268 4.350 0.009 0.000 0.190 436 E C 1.944 178.622 176.600 0.129 0.000 0.979 436 E CA 1.119 57.565 56.400 0.077 0.000 0.807 436 E CB 0.057 29.795 29.700 0.064 0.000 0.761 436 E HN 0.193 nan 8.360 nan 0.000 0.454 437 T N 1.854 116.486 114.554 0.131 0.000 2.607 437 T HA -0.211 4.144 4.350 0.009 0.000 0.267 437 T C 1.983 176.873 174.700 0.317 0.000 1.049 437 T CA 1.308 63.552 62.100 0.239 0.000 1.162 437 T CB -0.346 68.624 68.868 0.171 0.000 0.863 437 T HN 0.107 nan 8.240 nan 0.000 0.424 438 I N 0.811 121.463 120.570 0.137 0.000 2.118 438 I HA -0.257 3.919 4.170 0.009 0.000 0.241 438 I C 2.683 178.895 176.117 0.158 0.000 1.070 438 I CA 1.609 62.969 61.300 0.100 0.000 1.327 438 I CB -0.400 37.578 38.000 -0.037 0.000 1.034 438 I HN 0.232 nan 8.210 nan 0.000 0.405 439 K N 1.019 121.491 120.400 0.119 0.000 2.032 439 K HA -0.175 4.150 4.320 0.009 0.000 0.209 439 K C 2.145 178.809 176.600 0.107 0.000 1.048 439 K CA 1.725 58.073 56.287 0.101 0.000 0.927 439 K CB -0.460 32.087 32.500 0.078 0.000 0.712 439 K HN 0.397 nan 8.250 nan 0.000 0.441 440 G N 0.446 109.312 108.800 0.109 0.000 2.491 440 G HA2 -0.254 3.711 3.960 0.009 0.000 0.218 440 G HA3 -0.254 3.711 3.960 0.009 0.000 0.218 440 G C 1.285 176.103 174.900 -0.137 0.000 1.180 440 G CA 1.009 46.081 45.100 -0.047 0.000 0.774 440 G HN 0.315 nan 8.290 nan 0.000 0.562 441 F N 0.497 120.545 119.950 0.163 0.000 2.325 441 F HA 0.048 4.580 4.527 0.009 0.000 0.299 441 F C 2.881 178.716 175.800 0.059 0.000 1.090 441 F CA 1.270 59.339 58.000 0.115 0.000 1.392 441 F CB -0.131 38.953 39.000 0.140 0.000 1.053 441 F HN 0.160 nan 8.300 nan 0.000 0.521 442 Q N 0.357 120.283 119.800 0.211 0.000 2.084 442 Q HA -0.258 4.088 4.340 0.009 0.000 0.202 442 Q C 2.074 178.117 176.000 0.072 0.000 0.978 442 Q CA 1.780 57.656 55.803 0.121 0.000 0.844 442 Q CB -0.072 28.724 28.738 0.096 0.000 0.898 442 Q HN 0.495 nan 8.270 nan 0.000 0.426 443 Q N -0.292 119.549 119.800 0.068 0.000 2.172 443 Q HA -0.076 4.269 4.340 0.009 0.000 0.200 443 Q C 2.034 178.045 176.000 0.019 0.000 0.964 443 Q CA 1.063 56.878 55.803 0.021 0.000 0.855 443 Q CB 0.105 28.893 28.738 0.082 0.000 0.918 443 Q HN 0.466 nan 8.270 nan 0.000 0.444 444 I N 0.356 120.970 120.570 0.073 0.000 2.353 444 I HA -0.250 3.925 4.170 0.009 0.000 0.248 444 I C 2.058 178.172 176.117 -0.004 0.000 1.119 444 I CA 0.925 62.242 61.300 0.028 0.000 1.417 444 I CB -0.221 37.718 38.000 -0.101 0.000 1.078 444 I HN 0.185 nan 8.210 nan 0.000 0.421 445 L N 0.831 122.072 121.223 0.030 0.000 2.046 445 L HA -0.177 4.168 4.340 0.009 0.000 0.208 445 L C 2.742 179.610 176.870 -0.003 0.000 1.077 445 L CA 1.329 56.181 54.840 0.019 0.000 0.747 445 L CB -0.579 41.507 42.059 0.045 0.000 0.896 445 L HN 0.245 nan 8.230 nan 0.000 0.432 446 A N -0.502 122.312 122.820 -0.010 0.000 2.168 446 A HA 0.140 4.465 4.320 0.009 0.000 0.215 446 A C 1.646 179.203 177.584 -0.045 0.000 1.152 446 A CA 0.913 52.933 52.037 -0.028 0.000 0.716 446 A CB -0.559 18.419 19.000 -0.036 0.000 0.794 446 A HN 0.561 nan 8.150 nan 0.000 0.465 447 G N -0.703 108.067 108.800 -0.050 0.000 2.171 447 G HA2 -0.219 3.747 3.960 0.009 0.000 0.238 447 G HA3 -0.219 3.747 3.960 0.009 0.000 0.238 447 G C 0.298 175.151 174.900 -0.079 0.000 1.039 447 G CA 0.460 45.532 45.100 -0.046 0.000 0.759 447 G HN 0.576 nan 8.290 nan 0.000 0.501 448 E N -1.239 118.847 120.200 -0.190 0.000 2.371 448 E HA 0.092 4.447 4.350 0.009 0.000 0.194 448 E C 0.614 176.943 176.600 -0.451 0.000 1.012 448 E CA 0.571 56.731 56.400 -0.400 0.000 0.860 448 E CB 0.111 29.414 29.700 -0.661 0.000 0.811 448 E HN 0.797 nan 8.360 nan 0.000 0.502 449 Y N -0.478 119.887 120.300 0.108 0.000 2.698 449 Y HA 0.134 4.689 4.550 0.009 0.000 0.261 449 Y C 0.693 176.604 175.900 0.018 0.000 1.104 449 Y CA -0.681 57.459 58.100 0.067 0.000 1.145 449 Y CB 0.679 39.228 38.460 0.148 0.000 1.191 449 Y HN -0.103 nan 8.280 nan 0.000 0.564 450 D N 0.143 120.647 120.400 0.174 0.000 2.218 450 D HA -0.192 4.453 4.640 0.009 0.000 0.204 450 D C 2.071 178.445 176.300 0.125 0.000 0.976 450 D CA 1.613 55.678 54.000 0.107 0.000 0.853 450 D CB -0.101 40.746 40.800 0.079 0.000 0.939 450 D HN 0.620 nan 8.370 nan 0.000 0.481 451 H N -0.167 118.952 119.070 0.082 0.000 2.470 451 H HA 0.068 4.629 4.556 0.009 0.000 0.289 451 H C 0.997 176.380 175.328 0.090 0.000 1.033 451 H CA 0.064 56.154 56.048 0.069 0.000 1.331 451 H CB -0.527 29.265 29.762 0.050 0.000 1.414 451 H HN 0.107 nan 8.280 nan 0.000 0.545 452 L N 3.512 124.500 121.223 -0.392 0.000 2.439 452 L HA 0.199 4.544 4.340 0.009 0.000 0.269 452 L C -1.823 175.054 176.870 0.012 0.000 1.179 452 L CA -1.824 52.885 54.840 -0.218 0.000 0.828 452 L CB 0.630 42.535 42.059 -0.256 0.000 1.106 452 L HN 0.118 nan 8.230 nan 0.000 0.467 453 P HA 0.007 nan 4.420 nan 0.000 0.275 453 P C 0.209 177.601 177.300 0.153 0.000 1.228 453 P CA -0.310 62.821 63.100 0.052 0.000 0.786 453 P CB 0.814 32.522 31.700 0.012 0.000 0.927 454 E N 1.845 122.122 120.200 0.130 0.000 2.097 454 E HA -0.270 4.085 4.350 0.009 0.000 0.196 454 E C 1.249 177.984 176.600 0.226 0.000 1.000 454 E CA 1.267 57.761 56.400 0.157 0.000 0.804 454 E CB -0.064 29.658 29.700 0.037 0.000 0.740 454 E HN 0.306 nan 8.360 nan 0.000 0.454 455 Q N -0.365 119.508 119.800 0.123 0.000 2.436 455 Q HA 0.005 4.350 4.340 0.009 0.000 0.209 455 Q C 1.888 177.961 176.000 0.123 0.000 0.965 455 Q CA 0.910 56.778 55.803 0.109 0.000 0.910 455 Q CB 0.121 28.881 28.738 0.038 0.000 0.980 455 Q HN 0.426 nan 8.270 nan 0.000 0.491 456 A N -0.464 122.378 122.820 0.038 0.000 2.019 456 A HA -0.115 4.210 4.320 0.009 0.000 0.219 456 A C 1.471 178.925 177.584 -0.217 0.000 1.164 456 A CA 0.863 52.801 52.037 -0.166 0.000 0.644 456 A CB -0.545 18.224 19.000 -0.383 0.000 0.805 456 A HN 0.285 nan 8.150 nan 0.000 0.449 457 F N -2.431 117.533 119.950 0.024 0.000 2.710 457 F HA 0.165 4.697 4.527 0.009 0.000 0.298 457 F C 0.852 176.773 175.800 0.202 0.000 1.137 457 F CA -0.209 57.854 58.000 0.104 0.000 1.444 457 F CB -0.319 38.715 39.000 0.056 0.000 1.111 457 F HN 0.275 nan 8.300 nan 0.000 0.580 458 Y N 1.366 121.767 120.300 0.169 0.000 2.411 458 Y HA 0.210 4.765 4.550 0.009 0.000 0.333 458 Y C 0.782 176.701 175.900 0.032 0.000 1.186 458 Y CA -1.534 56.621 58.100 0.092 0.000 1.381 458 Y CB 0.319 38.813 38.460 0.056 0.000 1.273 458 Y HN -0.009 nan 8.280 nan 0.000 0.546 459 M N 5.034 124.252 119.600 -0.637 0.000 2.405 459 M HA -0.193 4.292 4.480 0.009 0.000 0.181 459 M C -1.411 174.742 176.300 -0.244 0.000 0.878 459 M CA 0.703 55.696 55.300 -0.511 0.000 0.537 459 M CB -2.493 29.713 32.600 -0.657 0.000 1.090 459 M HN 0.334 nan 8.290 nan 0.000 0.874 460 V N -1.060 118.760 119.914 -0.157 0.000 3.102 460 V HA 0.896 5.021 4.120 0.009 0.000 0.312 460 V C 1.103 177.123 176.094 -0.123 0.000 1.135 460 V CA -0.072 62.175 62.300 -0.089 0.000 1.022 460 V CB 2.176 34.005 31.823 0.011 0.000 1.056 460 V HN 0.667 nan 8.190 nan 0.000 0.436 461 G N 1.791 110.548 108.800 -0.072 0.000 2.964 461 G HA2 0.286 4.251 3.960 0.009 0.000 0.191 461 G HA3 0.286 4.251 3.960 0.009 0.000 0.191 461 G C -2.237 172.630 174.900 -0.056 0.000 1.978 461 G CA -0.101 44.950 45.100 -0.082 0.000 0.861 461 G HN 0.581 nan 8.290 nan 0.000 0.584 462 P HA 0.151 nan 4.420 nan 0.000 0.272 462 P C 0.646 178.092 177.300 0.242 0.000 1.240 462 P CA -0.510 62.680 63.100 0.151 0.000 0.791 462 P CB 1.533 33.272 31.700 0.065 0.000 0.978 463 I N 0.825 121.514 120.570 0.197 0.000 2.454 463 I HA -0.246 3.929 4.170 0.009 0.000 0.254 463 I C 1.903 177.874 176.117 -0.244 0.000 1.156 463 I CA 1.759 62.954 61.300 -0.175 0.000 1.433 463 I CB -0.606 37.213 38.000 -0.301 0.000 1.082 463 I HN 0.268 nan 8.210 nan 0.000 0.432 464 E N 0.464 120.600 120.200 -0.107 0.000 2.110 464 E HA -0.228 4.127 4.350 0.009 0.000 0.193 464 E C 2.082 178.603 176.600 -0.131 0.000 0.988 464 E CA 1.362 57.697 56.400 -0.108 0.000 0.804 464 E CB -0.226 29.449 29.700 -0.042 0.000 0.745 464 E HN 0.554 nan 8.360 nan 0.000 0.458 465 E N -0.101 120.043 120.200 -0.094 0.000 2.204 465 E HA -0.134 4.221 4.350 0.009 0.000 0.194 465 E C 1.893 178.390 176.600 -0.172 0.000 0.989 465 E CA 0.775 57.116 56.400 -0.097 0.000 0.824 465 E CB -0.069 29.602 29.700 -0.049 0.000 0.756 465 E HN 0.282 nan 8.360 nan 0.000 0.477 466 A N 0.665 123.323 122.820 -0.270 0.000 1.929 466 A HA -0.088 4.237 4.320 0.009 0.000 0.216 466 A C 2.414 179.659 177.584 -0.566 0.000 1.176 466 A CA 0.734 52.462 52.037 -0.516 0.000 0.628 466 A CB -0.299 18.162 19.000 -0.898 0.000 0.816 466 A HN 0.096 nan 8.150 nan 0.000 0.444 467 V N -0.109 119.521 119.914 -0.475 0.000 2.358 467 V HA -0.211 3.914 4.120 0.009 0.000 0.246 467 V C 3.013 178.985 176.094 -0.203 0.000 1.047 467 V CA 1.869 63.971 62.300 -0.330 0.000 1.035 467 V CB -1.168 30.527 31.823 -0.215 0.000 0.658 467 V HN 0.576 nan 8.190 nan 0.000 0.452 468 A N -0.420 122.301 122.820 -0.166 0.000 1.969 468 A HA -0.215 4.111 4.320 0.009 0.000 0.218 468 A C 2.323 179.839 177.584 -0.113 0.000 1.169 468 A CA 1.953 53.924 52.037 -0.111 0.000 0.635 468 A CB -0.400 18.549 19.000 -0.085 0.000 0.810 468 A HN 0.520 nan 8.150 nan 0.000 0.445 469 K N -0.379 119.930 120.400 -0.151 0.000 2.155 469 K HA 0.061 4.386 4.320 0.009 0.000 0.203 469 K C 2.089 178.610 176.600 -0.133 0.000 1.052 469 K CA 0.911 57.118 56.287 -0.134 0.000 0.948 469 K CB -0.249 32.164 32.500 -0.146 0.000 0.728 469 K HN 0.355 nan 8.250 nan 0.000 0.448 470 A N 1.228 123.938 122.820 -0.183 0.000 1.933 470 A HA -0.181 4.145 4.320 0.009 0.000 0.218 470 A C 1.501 179.033 177.584 -0.088 0.000 1.175 470 A CA 2.051 53.996 52.037 -0.153 0.000 0.628 470 A CB -0.527 18.345 19.000 -0.213 0.000 0.814 470 A HN 0.363 nan 8.150 nan 0.000 0.444 471 D N -0.855 119.498 120.400 -0.079 0.000 2.117 471 D HA -0.094 4.551 4.640 0.009 0.000 0.198 471 D C 1.963 178.241 176.300 -0.038 0.000 0.982 471 D CA 1.357 55.330 54.000 -0.045 0.000 0.828 471 D CB -0.068 40.708 40.800 -0.039 0.000 0.967 471 D HN 0.470 nan 8.370 nan 0.000 0.464 472 K N 0.131 120.503 120.400 -0.047 0.000 2.211 472 K HA 0.029 4.354 4.320 0.009 0.000 0.203 472 K C 0.993 177.576 176.600 -0.028 0.000 1.050 472 K CA 0.405 56.671 56.287 -0.035 0.000 0.945 472 K CB 0.041 32.517 32.500 -0.039 0.000 0.732 472 K HN 0.161 nan 8.250 nan 0.000 0.451 473 L N 1.800 123.003 121.223 -0.034 0.000 2.801 473 L HA 0.104 4.449 4.340 0.009 0.000 0.250 473 L C 0.362 177.223 176.870 -0.015 0.000 1.222 473 L CA -0.193 54.633 54.840 -0.023 0.000 1.054 473 L CB -0.998 41.045 42.059 -0.027 0.000 1.330 473 L HN 0.243 nan 8.230 nan 0.000 0.426 474 A N 0.000 122.812 122.820 -0.013 0.000 2.254 474 A HA 0.000 4.325 4.320 0.009 0.000 0.244 474 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 474 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486