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_L 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 0.000 174.852 174.700 0.253 0.000 1.109 9 T CA 0.000 62.185 62.100 0.141 0.000 1.349 9 T CB 0.000 68.967 68.868 0.165 0.000 0.612 10 T N 1.047 115.720 114.554 0.198 0.000 2.770 10 T HA 0.739 5.089 4.350 0.000 0.000 0.283 10 T C 0.532 175.155 174.700 -0.127 0.000 0.988 10 T CA -0.233 61.915 62.100 0.080 0.000 0.957 10 T CB 1.171 70.046 68.868 0.010 0.000 0.930 10 T HN 1.050 nan 8.240 nan 0.000 0.443 11 G N 2.255 110.707 108.800 -0.581 0.000 2.601 11 G HA2 0.742 4.702 3.960 0.000 0.000 0.317 11 G HA3 0.742 4.702 3.960 0.000 0.000 0.317 11 G C -0.935 173.629 174.900 -0.560 0.000 1.246 11 G CA -0.952 43.472 45.100 -1.127 0.000 1.012 11 G HN 0.593 nan 8.290 nan 0.000 0.494 12 R N -0.784 119.439 120.500 -0.461 0.000 2.599 12 R HA 0.389 4.729 4.340 0.000 0.000 0.295 12 R C -0.491 175.686 176.300 -0.206 0.000 0.963 12 R CA -0.743 55.206 56.100 -0.251 0.000 0.883 12 R CB 2.453 32.652 30.300 -0.169 0.000 1.171 12 R HN 0.373 nan 8.270 nan 0.000 0.450 13 I N 3.209 123.697 120.570 -0.136 0.000 2.598 13 I HA -0.099 4.071 4.170 0.000 0.000 0.284 13 I C 1.498 177.571 176.117 -0.072 0.000 1.140 13 I CA 0.200 61.447 61.300 -0.089 0.000 1.420 13 I CB 0.869 38.834 38.000 -0.058 0.000 1.387 13 I HN 0.578 nan 8.210 nan 0.000 0.553 14 V N 3.256 123.135 119.914 -0.058 0.000 3.621 14 V HA 0.580 4.700 4.120 0.000 0.000 0.263 14 V C 0.608 176.685 176.094 -0.027 0.000 1.272 14 V CA 0.475 62.750 62.300 -0.043 0.000 1.080 14 V CB 0.043 31.842 31.823 -0.041 0.000 0.816 14 V HN 0.721 nan 8.190 nan 0.000 0.451 15 A N -0.393 122.413 122.820 -0.022 0.000 2.574 15 A HA 0.819 5.139 4.320 0.000 0.000 0.297 15 A C -1.319 176.259 177.584 -0.011 0.000 1.062 15 A CA -0.392 51.636 52.037 -0.014 0.000 0.686 15 A CB 2.238 21.233 19.000 -0.009 0.000 1.285 15 A HN 0.554 nan 8.150 nan 0.000 0.403 16 V N 2.102 122.010 119.914 -0.009 0.000 2.612 16 V HA 0.520 4.640 4.120 0.000 0.000 0.301 16 V C -0.955 175.136 176.094 -0.005 0.000 1.059 16 V CA -0.027 62.270 62.300 -0.007 0.000 0.886 16 V CB 1.419 33.237 31.823 -0.008 0.000 1.007 16 V HN 0.714 nan 8.190 nan 0.000 0.426 17 I N 4.532 125.100 120.570 -0.003 0.000 2.595 17 I HA 0.592 4.762 4.170 0.000 0.000 0.276 17 I C 0.925 177.040 176.117 -0.003 0.000 1.109 17 I CA 0.072 61.370 61.300 -0.003 0.000 1.084 17 I CB 1.369 39.367 38.000 -0.003 0.000 1.206 17 I HN 0.864 nan 8.210 nan 0.000 0.486 18 G N 4.354 113.152 108.800 -0.003 0.000 2.583 18 G HA2 -0.335 3.625 3.960 0.000 0.000 0.292 18 G HA3 -0.335 3.625 3.960 0.000 0.000 0.292 18 G C 0.753 175.652 174.900 -0.002 0.000 1.203 18 G CA 0.407 45.505 45.100 -0.003 0.000 0.987 18 G HN 0.850 nan 8.290 nan 0.000 0.554 19 A N -0.619 122.200 122.820 -0.002 0.000 2.302 19 A HA 0.589 4.909 4.320 0.000 0.000 0.219 19 A C 0.684 178.271 177.584 0.004 0.000 1.243 19 A CA 1.267 53.305 52.037 0.001 0.000 0.856 19 A CB -0.065 18.935 19.000 -0.001 0.000 0.893 19 A HN 1.438 nan 8.150 nan 0.000 0.491 20 V N 1.042 120.958 119.914 0.003 0.000 2.347 20 V HA 0.369 4.489 4.120 0.000 0.000 0.280 20 V C -0.536 175.563 176.094 0.008 0.000 1.021 20 V CA -0.453 61.851 62.300 0.007 0.000 0.847 20 V CB 1.319 33.145 31.823 0.005 0.000 0.990 20 V HN 0.094 nan 8.190 nan 0.000 0.444 21 V N 4.012 123.934 119.914 0.013 0.000 2.487 21 V HA 0.486 4.606 4.120 0.000 0.000 0.298 21 V C -0.688 175.417 176.094 0.018 0.000 1.028 21 V CA -0.752 61.555 62.300 0.011 0.000 0.860 21 V CB 1.981 33.811 31.823 0.011 0.000 0.991 21 V HN 0.777 nan 8.190 nan 0.000 0.427 22 D N 3.367 123.772 120.400 0.009 0.000 2.177 22 D HA 0.609 5.249 4.640 0.000 0.000 0.247 22 D C -0.556 175.742 176.300 -0.004 0.000 1.063 22 D CA -0.061 53.947 54.000 0.012 0.000 0.867 22 D CB 2.303 43.107 40.800 0.006 0.000 1.168 22 D HN 0.284 nan 8.370 nan 0.000 0.445 23 V N 2.004 121.925 119.914 0.012 0.000 2.638 23 V HA 0.311 4.431 4.120 0.000 0.000 0.306 23 V C -0.226 175.836 176.094 -0.053 0.000 1.052 23 V CA -0.929 61.339 62.300 -0.054 0.000 0.885 23 V CB 2.001 33.805 31.823 -0.032 0.000 0.999 23 V HN 0.397 nan 8.190 nan 0.000 0.424 24 Q N 2.828 122.522 119.800 -0.176 0.000 2.271 24 Q HA 0.670 5.010 4.340 0.000 0.000 0.258 24 Q C -1.886 173.943 176.000 -0.286 0.000 0.936 24 Q CA -0.426 55.310 55.803 -0.112 0.000 0.909 24 Q CB 1.434 30.123 28.738 -0.081 0.000 1.253 24 Q HN 0.629 nan 8.270 nan 0.000 0.440 25 F N 1.902 121.820 119.950 -0.054 0.000 2.508 25 F HA 0.266 4.793 4.527 0.000 0.000 0.325 25 F C 0.625 176.400 175.800 -0.040 0.000 1.090 25 F CA -0.684 57.289 58.000 -0.046 0.000 0.945 25 F CB 1.797 40.763 39.000 -0.056 0.000 1.156 25 F HN 0.632 nan 8.300 nan 0.000 0.463 26 D N 0.587 121.061 120.400 0.125 0.000 2.213 26 D HA -0.028 4.612 4.640 0.000 0.000 0.205 26 D C 1.057 177.398 176.300 0.069 0.000 0.961 26 D CA 1.138 55.177 54.000 0.065 0.000 0.853 26 D CB 0.415 41.233 40.800 0.029 0.000 0.967 26 D HN 0.486 nan 8.370 nan 0.000 0.496 27 E N 0.174 120.431 120.200 0.095 0.000 3.834 27 E HA 0.354 4.704 4.350 0.000 0.000 0.318 27 E C 0.860 177.480 176.600 0.033 0.000 0.680 27 E CA -0.457 55.976 56.400 0.054 0.000 1.860 27 E CB -0.906 28.820 29.700 0.045 0.000 2.061 27 E HN -0.036 nan 8.360 nan 0.000 0.447 28 G N 1.472 110.273 108.800 0.001 0.000 2.398 28 G HA2 0.339 4.299 3.960 0.000 0.000 0.246 28 G HA3 0.339 4.299 3.960 0.000 0.000 0.246 28 G C -0.003 174.809 174.900 -0.147 0.000 1.289 28 G CA -0.189 44.881 45.100 -0.050 0.000 0.869 28 G HN 0.045 nan 8.290 nan 0.000 0.543 29 L N 3.966 125.079 121.223 -0.183 0.000 2.371 29 L HA 0.282 4.622 4.340 0.000 0.000 0.272 29 L C -1.522 175.139 176.870 -0.349 0.000 1.124 29 L CA -1.757 52.861 54.840 -0.370 0.000 0.816 29 L CB 1.513 43.352 42.059 -0.367 0.000 1.129 29 L HN 0.380 nan 8.230 nan 0.000 0.448 30 P HA 0.142 nan 4.420 nan 0.000 0.271 30 P C -2.540 174.758 177.300 -0.004 0.000 1.226 30 P CA -1.187 61.745 63.100 -0.281 0.000 0.765 30 P CB 0.058 31.544 31.700 -0.356 0.000 0.835 31 P HA 0.085 nan 4.420 nan 0.000 0.269 31 P C 0.588 177.897 177.300 0.015 0.000 1.217 31 P CA -0.022 63.100 63.100 0.037 0.000 0.783 31 P CB 0.643 32.318 31.700 -0.042 0.000 0.898 32 I N 1.855 122.363 120.570 -0.104 0.000 2.880 32 I HA -0.176 3.994 4.170 0.000 0.000 0.296 32 I C 1.615 177.666 176.117 -0.110 0.000 1.220 32 I CA 0.693 61.934 61.300 -0.097 0.000 1.435 32 I CB -0.372 37.528 38.000 -0.168 0.000 1.339 32 I HN 0.436 nan 8.210 nan 0.000 0.583 33 L N 1.502 122.656 121.223 -0.115 0.000 4.800 33 L HA -0.265 4.075 4.340 0.000 0.000 0.400 33 L C 0.225 177.055 176.870 -0.067 0.000 0.857 33 L CA 0.119 54.848 54.840 -0.185 0.000 1.908 33 L CB -1.730 40.092 42.059 -0.395 0.000 1.598 33 L HN 0.696 nan 8.230 nan 0.000 0.593 34 N N 1.286 119.966 118.700 -0.032 0.000 2.454 34 N HA 0.448 5.188 4.740 0.000 0.000 0.254 34 N C 0.308 175.832 175.510 0.022 0.000 1.228 34 N CA 0.962 54.009 53.050 -0.005 0.000 0.900 34 N CB 0.847 39.317 38.487 -0.027 0.000 1.089 34 N HN 0.319 nan 8.380 nan 0.000 0.449 35 A N 2.810 125.651 122.820 0.035 0.000 2.328 35 A HA 0.532 4.852 4.320 0.000 0.000 0.284 35 A C -0.443 177.169 177.584 0.046 0.000 1.160 35 A CA -0.461 51.604 52.037 0.047 0.000 0.818 35 A CB -0.006 19.023 19.000 0.048 0.000 1.087 35 A HN 0.633 nan 8.150 nan 0.000 0.504 36 L N 2.314 123.575 121.223 0.063 0.000 2.346 36 L HA 0.493 4.833 4.340 0.000 0.000 0.276 36 L C -0.359 176.550 176.870 0.064 0.000 1.006 36 L CA -0.761 54.132 54.840 0.087 0.000 0.817 36 L CB 1.819 43.962 42.059 0.141 0.000 1.272 36 L HN 0.588 nan 8.230 nan 0.000 0.421 37 E N 2.962 123.196 120.200 0.057 0.000 2.113 37 E HA 0.305 4.655 4.350 0.000 0.000 0.273 37 E C -0.698 175.920 176.600 0.030 0.000 0.924 37 E CA -0.598 55.823 56.400 0.035 0.000 0.764 37 E CB 2.519 32.232 29.700 0.023 0.000 1.104 37 E HN 0.214 nan 8.360 nan 0.000 0.406 38 V N 4.027 123.953 119.914 0.020 0.000 2.555 38 V HA -0.005 4.115 4.120 0.000 0.000 0.286 38 V C 0.636 176.731 176.094 0.001 0.000 1.044 38 V CA -0.393 61.911 62.300 0.007 0.000 1.026 38 V CB 0.849 32.673 31.823 0.003 0.000 0.981 38 V HN 0.485 nan 8.190 nan 0.000 0.480 39 Q N 2.300 122.095 119.800 -0.008 0.000 2.260 39 Q HA 0.447 4.787 4.340 0.000 0.000 0.238 39 Q C 1.118 177.111 176.000 -0.011 0.000 0.948 39 Q CA 0.411 56.208 55.803 -0.009 0.000 0.895 39 Q CB 1.084 29.814 28.738 -0.013 0.000 1.218 39 Q HN 1.160 nan 8.270 nan 0.000 0.470 40 G N 1.533 110.328 108.800 -0.009 0.000 2.225 40 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 40 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 40 G C -0.121 174.775 174.900 -0.007 0.000 1.060 40 G CA 0.263 45.357 45.100 -0.009 0.000 0.833 40 G HN 0.394 nan 8.290 nan 0.000 0.498 41 R N -0.935 119.562 120.500 -0.004 0.000 2.750 41 R HA 0.433 4.773 4.340 0.000 0.000 0.281 41 R C 0.769 177.069 176.300 -0.000 0.000 0.972 41 R CA -0.993 55.106 56.100 -0.002 0.000 0.912 41 R CB 1.061 31.360 30.300 -0.001 0.000 1.187 41 R HN 0.063 nan 8.270 nan 0.000 0.464 42 E N 0.524 120.725 120.200 0.000 0.000 2.106 42 E HA -0.081 4.269 4.350 0.000 0.000 0.192 42 E C 0.752 177.354 176.600 0.003 0.000 0.984 42 E CA 1.440 57.841 56.400 0.001 0.000 0.806 42 E CB 0.107 29.808 29.700 0.002 0.000 0.750 42 E HN 0.695 nan 8.360 nan 0.000 0.458 43 T N -1.988 112.569 114.554 0.004 0.000 2.916 43 T HA 0.525 4.875 4.350 0.000 0.000 0.292 43 T C 0.055 174.759 174.700 0.007 0.000 1.064 43 T CA -0.967 61.137 62.100 0.006 0.000 1.011 43 T CB 2.024 70.897 68.868 0.007 0.000 1.152 43 T HN -0.198 nan 8.240 nan 0.000 0.510 44 R N 0.618 121.124 120.500 0.009 0.000 2.458 44 R HA 0.253 4.593 4.340 0.000 0.000 0.303 44 R C -0.843 175.465 176.300 0.013 0.000 1.013 44 R CA -0.455 55.651 56.100 0.011 0.000 1.026 44 R CB -0.056 30.252 30.300 0.013 0.000 0.948 44 R HN 0.443 nan 8.270 nan 0.000 0.417 45 L N 5.298 126.529 121.223 0.013 0.000 2.301 45 L HA 0.268 4.608 4.340 0.000 0.000 0.278 45 L C -0.898 175.985 176.870 0.022 0.000 1.022 45 L CA -0.483 54.366 54.840 0.016 0.000 0.854 45 L CB 1.644 43.710 42.059 0.012 0.000 1.226 45 L HN 0.248 nan 8.230 nan 0.000 0.429 46 V N 6.351 126.281 119.914 0.026 0.000 2.432 46 V HA 0.381 4.501 4.120 0.000 0.000 0.275 46 V C 0.239 176.356 176.094 0.038 0.000 1.043 46 V CA -0.413 61.908 62.300 0.034 0.000 0.925 46 V CB 1.356 33.202 31.823 0.037 0.000 0.985 46 V HN 0.572 nan 8.190 nan 0.000 0.466 47 L N 4.485 125.736 121.223 0.046 0.000 2.325 47 L HA 0.614 4.954 4.340 0.000 0.000 0.278 47 L C 0.055 176.960 176.870 0.058 0.000 1.023 47 L CA -0.374 54.496 54.840 0.050 0.000 0.811 47 L CB 1.650 43.742 42.059 0.055 0.000 1.249 47 L HN 0.611 nan 8.230 nan 0.000 0.431 48 E N 1.920 122.154 120.200 0.056 0.000 2.133 48 E HA 0.345 4.695 4.350 0.000 0.000 0.274 48 E C -1.111 175.516 176.600 0.046 0.000 0.930 48 E CA -0.799 55.635 56.400 0.057 0.000 0.770 48 E CB 1.821 31.565 29.700 0.073 0.000 1.104 48 E HN 0.340 nan 8.360 nan 0.000 0.403 49 V N 4.237 124.176 119.914 0.041 0.000 2.529 49 V HA 0.061 4.181 4.120 0.000 0.000 0.292 49 V C 0.929 177.038 176.094 0.025 0.000 1.028 49 V CA 0.928 63.258 62.300 0.050 0.000 1.074 49 V CB 0.736 32.597 31.823 0.064 0.000 0.958 49 V HN 0.895 nan 8.190 nan 0.000 0.481 50 A N 4.267 127.110 122.820 0.038 0.000 2.013 50 A HA 0.313 4.633 4.320 0.000 0.000 0.204 50 A C 0.739 178.336 177.584 0.022 0.000 1.262 50 A CA 0.268 52.314 52.037 0.014 0.000 0.800 50 A CB 0.341 19.350 19.000 0.014 0.000 0.909 50 A HN 0.774 nan 8.150 nan 0.000 0.472 51 Q N -1.129 118.715 119.800 0.074 0.000 2.456 51 Q HA 0.391 4.731 4.340 0.000 0.000 0.284 51 Q C -1.652 174.493 176.000 0.241 0.000 1.061 51 Q CA -0.597 55.263 55.803 0.094 0.000 0.799 51 Q CB 1.837 30.612 28.738 0.061 0.000 1.445 51 Q HN 0.595 nan 8.270 nan 0.000 0.411 52 H N 1.788 120.855 119.070 -0.006 0.000 2.623 52 H HA 0.239 4.795 4.556 0.000 0.000 0.299 52 H C 0.481 175.813 175.328 0.006 0.000 1.052 52 H CA -0.248 55.800 56.048 0.001 0.000 1.231 52 H CB 0.929 30.685 29.762 -0.010 0.000 1.389 52 H HN 0.433 nan 8.280 nan 0.000 0.469 53 L N 2.846 124.121 121.223 0.087 0.000 2.478 53 L HA 0.099 4.439 4.340 0.000 0.000 0.223 53 L C 1.266 178.159 176.870 0.039 0.000 1.140 53 L CA 0.558 55.429 54.840 0.052 0.000 0.842 53 L CB -0.156 41.922 42.059 0.033 0.000 0.953 53 L HN 0.874 nan 8.230 nan 0.000 0.452 54 G N 0.136 108.958 108.800 0.038 0.000 2.712 54 G HA2 -0.198 3.762 3.960 0.000 0.000 0.683 54 G HA3 -0.198 3.762 3.960 0.000 0.000 0.683 54 G C 0.033 174.938 174.900 0.008 0.000 1.320 54 G CA -0.389 44.725 45.100 0.024 0.000 0.847 54 G HN 0.333 nan 8.290 nan 0.000 0.553 55 E N -0.984 119.220 120.200 0.007 0.000 2.440 55 E HA -0.210 4.140 4.350 0.000 0.000 0.246 55 E C 1.049 177.650 176.600 0.002 0.000 1.165 55 E CA 1.102 57.504 56.400 0.004 0.000 0.726 55 E CB -1.556 28.146 29.700 0.004 0.000 1.271 55 E HN 2.032 nan 8.360 nan 0.000 0.397 56 S N -2.142 113.556 115.700 -0.004 0.000 3.561 56 S HA -0.208 4.262 4.470 0.000 0.000 0.318 56 S C 0.096 174.707 174.600 0.018 0.000 1.181 56 S CA 1.471 59.672 58.200 0.001 0.000 0.916 56 S CB -1.019 62.197 63.200 0.027 0.000 0.966 56 S HN 0.446 nan 8.310 nan 0.000 0.550 57 T N 1.650 116.199 114.554 -0.009 0.000 2.807 57 T HA 0.603 4.953 4.350 0.000 0.000 0.279 57 T C 0.226 174.918 174.700 -0.013 0.000 0.993 57 T CA -0.406 61.701 62.100 0.013 0.000 0.970 57 T CB 1.797 70.670 68.868 0.008 0.000 0.950 57 T HN 0.481 nan 8.240 nan 0.000 0.441 58 V N 1.634 121.567 119.914 0.032 0.000 2.547 58 V HA 0.731 4.851 4.120 0.000 0.000 0.299 58 V C -0.043 176.091 176.094 0.068 0.000 1.040 58 V CA -1.297 61.026 62.300 0.038 0.000 0.913 58 V CB 1.392 33.246 31.823 0.051 0.000 0.992 58 V HN 0.851 nan 8.190 nan 0.000 0.449 59 R N 2.719 123.261 120.500 0.070 0.000 2.312 59 R HA 0.714 5.055 4.340 0.000 0.000 0.311 59 R C -0.027 176.309 176.300 0.059 0.000 1.004 59 R CA 0.345 56.477 56.100 0.054 0.000 0.902 59 R CB 1.418 31.744 30.300 0.043 0.000 1.073 59 R HN 1.165 nan 8.270 nan 0.000 0.457 60 T N 2.041 116.624 114.554 0.049 0.000 2.916 60 T HA 0.554 4.904 4.350 0.000 0.000 0.292 60 T C 0.051 174.771 174.700 0.033 0.000 1.064 60 T CA -1.043 61.085 62.100 0.047 0.000 1.011 60 T CB 1.064 69.968 68.868 0.059 0.000 1.152 60 T HN 0.593 nan 8.240 nan 0.000 0.510 61 I N -0.194 120.395 120.570 0.031 0.000 2.441 61 I HA 0.837 5.007 4.170 0.000 0.000 0.295 61 I C -0.006 176.127 176.117 0.027 0.000 0.994 61 I CA -1.498 59.816 61.300 0.023 0.000 1.144 61 I CB 1.461 39.472 38.000 0.018 0.000 1.314 61 I HN 0.878 nan 8.210 nan 0.000 0.445 62 A N 6.733 129.566 122.820 0.021 0.000 2.331 62 A HA 0.545 4.865 4.320 0.000 0.000 0.283 62 A C 0.727 178.324 177.584 0.021 0.000 1.142 62 A CA -0.688 51.362 52.037 0.021 0.000 0.812 62 A CB 0.882 19.890 19.000 0.015 0.000 1.074 62 A HN 0.871 nan 8.150 nan 0.000 0.497 63 M N 0.662 120.277 119.600 0.025 0.000 2.556 63 M HA 0.158 4.638 4.480 0.000 0.000 0.245 63 M C -0.055 176.257 176.300 0.021 0.000 1.128 63 M CA 0.711 56.026 55.300 0.026 0.000 1.069 63 M CB -0.979 31.641 32.600 0.032 0.000 1.469 63 M HN 0.756 nan 8.290 nan 0.000 0.494 64 D N -1.076 119.335 120.400 0.017 0.000 2.652 64 D HA 0.520 5.160 4.640 0.000 0.000 0.285 64 D C -0.402 175.904 176.300 0.010 0.000 1.173 64 D CA -0.216 53.793 54.000 0.014 0.000 0.981 64 D CB 1.483 42.291 40.800 0.014 0.000 1.440 64 D HN 0.108 nan 8.370 nan 0.000 0.485 65 G N -1.122 107.682 108.800 0.008 0.000 2.630 65 G HA2 0.335 4.295 3.960 0.000 0.000 0.236 65 G HA3 0.335 4.295 3.960 0.000 0.000 0.236 65 G C 0.736 175.639 174.900 0.004 0.000 1.248 65 G CA 0.566 45.669 45.100 0.005 0.000 0.844 65 G HN 0.430 nan 8.290 nan 0.000 0.588 66 T N -2.013 112.542 114.554 0.002 0.000 3.040 66 T HA 0.172 4.522 4.350 0.000 0.000 0.266 66 T C 0.674 175.373 174.700 -0.002 0.000 1.005 66 T CA 0.021 62.122 62.100 0.001 0.000 0.906 66 T CB 0.118 68.986 68.868 0.001 0.000 1.082 66 T HN 0.651 nan 8.240 nan 0.000 0.531 67 E N 2.008 122.207 120.200 -0.001 0.000 2.452 67 E HA 0.307 4.657 4.350 0.000 0.000 0.261 67 E C 1.171 177.769 176.600 -0.003 0.000 0.987 67 E CA 0.795 57.193 56.400 -0.002 0.000 0.926 67 E CB 0.179 29.878 29.700 -0.002 0.000 0.934 67 E HN 0.504 nan 8.360 nan 0.000 0.452 68 G N 2.776 111.573 108.800 -0.005 0.000 2.217 68 G HA2 -0.266 3.695 3.960 0.000 0.000 0.246 68 G HA3 -0.266 3.695 3.960 0.000 0.000 0.246 68 G C 0.345 175.241 174.900 -0.008 0.000 0.990 68 G CA 0.131 45.228 45.100 -0.006 0.000 0.627 68 G HN 0.489 nan 8.290 nan 0.000 0.522 69 L N 1.026 122.244 121.223 -0.008 0.000 2.456 69 L HA 0.492 4.832 4.340 0.000 0.000 0.272 69 L C 0.570 177.431 176.870 -0.014 0.000 1.189 69 L CA -0.280 54.553 54.840 -0.012 0.000 0.846 69 L CB 1.181 43.233 42.059 -0.011 0.000 1.111 69 L HN 0.006 nan 8.230 nan 0.000 0.475 70 V N 3.191 123.094 119.914 -0.019 0.000 2.604 70 V HA 0.363 4.483 4.120 0.000 0.000 0.305 70 V C 0.093 176.170 176.094 -0.027 0.000 1.043 70 V CA -0.922 61.365 62.300 -0.021 0.000 0.888 70 V CB 1.940 33.751 31.823 -0.020 0.000 0.995 70 V HN 0.681 nan 8.190 nan 0.000 0.429 71 R N 2.480 122.964 120.500 -0.027 0.000 2.538 71 R HA 0.387 4.727 4.340 0.000 0.000 0.282 71 R C 1.305 177.581 176.300 -0.040 0.000 1.009 71 R CA 1.000 57.080 56.100 -0.034 0.000 1.063 71 R CB 0.031 30.314 30.300 -0.028 0.000 0.945 71 R HN 1.204 nan 8.270 nan 0.000 0.414 72 G N 1.616 110.385 108.800 -0.053 0.000 2.213 72 G HA2 -0.330 3.630 3.960 0.000 0.000 0.236 72 G HA3 -0.330 3.630 3.960 0.000 0.000 0.236 72 G C 0.217 175.079 174.900 -0.063 0.000 0.991 72 G CA 0.010 45.074 45.100 -0.059 0.000 0.629 72 G HN 0.607 nan 8.290 nan 0.000 0.517 73 Q N 1.125 120.891 119.800 -0.057 0.000 2.361 73 Q HA 0.395 4.735 4.340 0.000 0.000 0.276 73 Q C 0.342 176.298 176.000 -0.073 0.000 1.022 73 Q CA 0.254 56.025 55.803 -0.053 0.000 0.898 73 Q CB 0.286 29.000 28.738 -0.040 0.000 1.246 73 Q HN 0.472 nan 8.270 nan 0.000 0.410 74 K N 1.746 122.107 120.400 -0.065 0.000 2.298 74 K HA 0.310 4.630 4.320 0.000 0.000 0.280 74 K C -1.118 175.439 176.600 -0.071 0.000 1.032 74 K CA -0.367 55.873 56.287 -0.078 0.000 0.958 74 K CB 1.139 33.607 32.500 -0.053 0.000 0.978 74 K HN 0.283 nan 8.250 nan 0.000 0.472 75 V N 4.104 123.956 119.914 -0.103 0.000 2.525 75 V HA 0.196 4.316 4.120 0.000 0.000 0.299 75 V C -0.745 175.361 176.094 0.019 0.000 1.034 75 V CA -0.983 61.287 62.300 -0.051 0.000 0.863 75 V CB 1.683 33.461 31.823 -0.074 0.000 0.999 75 V HN 0.622 nan 8.190 nan 0.000 0.423 76 L N 3.802 125.068 121.223 0.071 0.000 2.292 76 L HA 0.550 4.890 4.340 0.000 0.000 0.284 76 L C -0.299 176.670 176.870 0.165 0.000 1.065 76 L CA 0.080 54.987 54.840 0.112 0.000 0.806 76 L CB 1.513 43.605 42.059 0.055 0.000 1.175 76 L HN 0.786 nan 8.230 nan 0.000 0.431 77 D N 2.206 122.730 120.400 0.207 0.000 2.317 77 D HA 0.059 4.699 4.640 0.000 0.000 0.252 77 D C 1.193 177.514 176.300 0.036 0.000 1.174 77 D CA 0.047 54.104 54.000 0.096 0.000 0.866 77 D CB 1.375 42.154 40.800 -0.034 0.000 1.127 77 D HN 0.585 nan 8.370 nan 0.000 0.467 78 S N 2.763 118.475 115.700 0.020 0.000 2.453 78 S HA 0.088 4.558 4.470 0.000 0.000 0.231 78 S C 1.749 176.340 174.600 -0.014 0.000 1.005 78 S CA 0.607 58.807 58.200 0.001 0.000 0.949 78 S CB -0.230 62.969 63.200 -0.001 0.000 0.774 78 S HN 0.960 nan 8.310 nan 0.000 0.510 79 G N 0.257 109.044 108.800 -0.022 0.000 2.175 79 G HA2 0.148 4.108 3.960 0.000 0.000 0.244 79 G HA3 0.148 4.108 3.960 0.000 0.000 0.244 79 G C 0.109 174.997 174.900 -0.021 0.000 0.982 79 G CA -0.184 44.899 45.100 -0.029 0.000 0.641 79 G HN 1.594 nan 8.290 nan 0.000 0.527 80 A N -0.954 121.859 122.820 -0.011 0.000 2.610 80 A HA 0.894 5.214 4.320 0.000 0.000 0.291 80 A C -2.980 174.618 177.584 0.023 0.000 1.086 80 A CA -0.663 51.377 52.037 0.004 0.000 0.677 80 A CB 1.027 20.032 19.000 0.008 0.000 1.278 80 A HN 0.097 nan 8.150 nan 0.000 0.414 81 P HA 0.270 nan 4.420 nan 0.000 0.272 81 P C -0.255 177.100 177.300 0.091 0.000 1.254 81 P CA -0.216 62.941 63.100 0.095 0.000 0.795 81 P CB 0.180 31.982 31.700 0.169 0.000 1.022 82 I N 0.679 121.318 120.570 0.115 0.000 2.919 82 I HA -0.132 4.038 4.170 0.000 0.000 0.299 82 I C 1.141 177.302 176.117 0.074 0.000 1.221 82 I CA 1.089 62.438 61.300 0.082 0.000 1.424 82 I CB -0.324 37.721 38.000 0.076 0.000 1.358 82 I HN 0.148 nan 8.210 nan 0.000 0.551 83 R N 6.827 127.370 120.500 0.072 0.000 2.445 83 R HA 0.676 5.016 4.340 0.000 0.000 0.308 83 R C -0.703 175.702 176.300 0.176 0.000 0.961 83 R CA -0.718 55.446 56.100 0.107 0.000 0.862 83 R CB 1.785 32.136 30.300 0.087 0.000 1.144 83 R HN 0.576 nan 8.270 nan 0.000 0.447 84 I N -0.546 120.138 120.570 0.189 0.000 2.846 84 I HA 0.654 4.824 4.170 0.000 0.000 0.307 84 I C -2.655 173.491 176.117 0.050 0.000 1.053 84 I CA -3.291 58.104 61.300 0.158 0.000 1.050 84 I CB 2.065 40.087 38.000 0.038 0.000 1.239 84 I HN 0.338 nan 8.210 nan 0.000 0.439 85 P HA 0.224 nan 4.420 nan 0.000 0.271 85 P C -0.865 176.157 177.300 -0.463 0.000 1.220 85 P CA -0.178 62.497 63.100 -0.709 0.000 0.768 85 P CB 0.830 32.191 31.700 -0.566 0.000 0.848 86 V N 0.755 120.339 119.914 -0.551 0.000 2.735 86 V HA 1.034 5.154 4.120 0.000 0.000 0.310 86 V C 0.053 175.586 176.094 -0.935 0.000 1.061 86 V CA -0.309 61.637 62.300 -0.590 0.000 0.913 86 V CB 1.457 33.025 31.823 -0.425 0.000 1.005 86 V HN 0.902 nan 8.190 nan 0.000 0.428 87 G N 3.477 111.598 108.800 -1.132 0.000 2.369 87 G HA2 0.255 4.215 3.960 0.000 0.000 0.295 87 G HA3 0.255 4.215 3.960 0.000 0.000 0.295 87 G C -2.734 171.912 174.900 -0.423 0.000 1.298 87 G CA 0.054 44.458 45.100 -1.161 0.000 0.940 87 G HN 0.592 nan 8.290 nan 0.000 0.536 88 P HA 0.004 nan 4.420 nan 0.000 0.225 88 P C 1.008 178.275 177.300 -0.055 0.000 1.148 88 P CA 1.269 64.413 63.100 0.073 0.000 0.779 88 P CB 0.180 31.940 31.700 0.100 0.000 0.780 89 E N -0.521 119.609 120.200 -0.117 0.000 2.478 89 E HA -0.076 4.274 4.350 0.000 0.000 0.198 89 E C 1.874 178.403 176.600 -0.119 0.000 1.046 89 E CA 1.309 57.639 56.400 -0.117 0.000 0.870 89 E CB -0.854 28.764 29.700 -0.136 0.000 0.818 89 E HN 0.413 nan 8.360 nan 0.000 0.527 90 T N -1.817 112.666 114.554 -0.119 0.000 3.067 90 T HA 0.063 4.413 4.350 0.000 0.000 0.261 90 T C 0.806 175.472 174.700 -0.057 0.000 1.110 90 T CA -0.082 61.962 62.100 -0.093 0.000 1.113 90 T CB -0.112 68.700 68.868 -0.092 0.000 0.917 90 T HN -0.024 nan 8.240 nan 0.000 0.499 91 L N 2.023 123.206 121.223 -0.066 0.000 2.418 91 L HA 0.461 4.801 4.340 0.000 0.000 0.274 91 L C 1.662 178.481 176.870 -0.085 0.000 1.135 91 L CA 0.742 55.516 54.840 -0.111 0.000 0.870 91 L CB 0.248 42.144 42.059 -0.272 0.000 1.154 91 L HN 0.558 nan 8.230 nan 0.000 0.462 92 G N 2.047 110.814 108.800 -0.055 0.000 2.179 92 G HA2 -0.218 3.743 3.960 0.000 0.000 0.260 92 G HA3 -0.218 3.743 3.960 0.000 0.000 0.260 92 G C 0.372 175.275 174.900 0.004 0.000 0.977 92 G CA -0.371 44.719 45.100 -0.017 0.000 0.641 92 G HN 0.461 nan 8.290 nan 0.000 0.533 93 R N 0.031 120.502 120.500 -0.047 0.000 2.536 93 R HA 0.727 5.067 4.340 0.000 0.000 0.279 93 R C 0.429 176.630 176.300 -0.165 0.000 1.001 93 R CA -0.898 55.149 56.100 -0.088 0.000 1.027 93 R CB 0.729 30.975 30.300 -0.090 0.000 1.096 93 R HN 0.348 nan 8.270 nan 0.000 0.502 94 I N 3.408 123.824 120.570 -0.258 0.000 2.362 94 I HA 0.392 4.562 4.170 0.000 0.000 0.289 94 I C 0.520 176.494 176.117 -0.239 0.000 0.994 94 I CA -0.685 60.394 61.300 -0.369 0.000 1.158 94 I CB 1.335 38.972 38.000 -0.606 0.000 1.315 94 I HN 0.407 nan 8.210 nan 0.000 0.451 95 M N 4.525 124.014 119.600 -0.185 0.000 2.716 95 M HA 0.612 5.092 4.480 0.000 0.000 0.307 95 M C -0.918 175.350 176.300 -0.054 0.000 1.223 95 M CA -0.713 54.528 55.300 -0.099 0.000 0.871 95 M CB 2.008 34.566 32.600 -0.069 0.000 1.739 95 M HN 0.503 nan 8.290 nan 0.000 0.475 96 N N 0.617 119.310 118.700 -0.011 0.000 2.566 96 N HA 0.231 4.971 4.740 0.000 0.000 0.299 96 N C 0.510 176.038 175.510 0.030 0.000 1.277 96 N CA -0.741 52.326 53.050 0.028 0.000 0.965 96 N CB 0.272 38.778 38.487 0.032 0.000 1.142 96 N HN 0.631 nan 8.380 nan 0.000 0.596 97 V N -0.441 119.497 119.914 0.040 0.000 2.469 97 V HA -0.130 3.991 4.120 0.000 0.000 0.251 97 V C 1.539 177.650 176.094 0.028 0.000 1.064 97 V CA 1.905 64.226 62.300 0.034 0.000 1.066 97 V CB -0.862 30.983 31.823 0.036 0.000 0.667 97 V HN 0.648 nan 8.190 nan 0.000 0.461 98 I N -2.290 118.299 120.570 0.031 0.000 3.875 98 I HA 0.553 4.724 4.170 0.000 0.000 0.329 98 I C 1.355 177.499 176.117 0.046 0.000 1.295 98 I CA 0.572 61.895 61.300 0.038 0.000 1.129 98 I CB -0.174 37.848 38.000 0.037 0.000 1.008 98 I HN 0.293 nan 8.210 nan 0.000 0.413 99 G N 1.139 109.958 108.800 0.033 0.000 2.143 99 G HA2 -0.252 3.708 3.960 0.000 0.000 0.249 99 G HA3 -0.252 3.708 3.960 0.000 0.000 0.249 99 G C -0.116 174.801 174.900 0.029 0.000 0.981 99 G CA -0.038 45.080 45.100 0.030 0.000 0.665 99 G HN 0.627 nan 8.290 nan 0.000 0.528 100 E N 1.772 121.986 120.200 0.022 0.000 2.354 100 E HA 0.354 4.704 4.350 0.000 0.000 0.269 100 E C -2.072 174.518 176.600 -0.016 0.000 1.036 100 E CA -1.668 54.739 56.400 0.013 0.000 0.876 100 E CB 1.186 30.894 29.700 0.014 0.000 1.009 100 E HN 0.210 nan 8.360 nan 0.000 0.416 101 P HA 0.003 nan 4.420 nan 0.000 0.271 101 P C 0.092 177.359 177.300 -0.055 0.000 1.216 101 P CA 0.439 63.507 63.100 -0.055 0.000 0.771 101 P CB 0.382 32.053 31.700 -0.048 0.000 0.864 102 I N -0.741 119.776 120.570 -0.088 0.000 4.050 102 I HA 0.225 4.395 4.170 0.000 0.000 0.327 102 I C 0.272 176.317 176.117 -0.120 0.000 1.473 102 I CA -0.237 61.017 61.300 -0.076 0.000 1.124 102 I CB -0.007 37.963 38.000 -0.049 0.000 1.129 102 I HN 0.033 nan 8.210 nan 0.000 0.428 103 D N 0.649 120.957 120.400 -0.154 0.000 2.349 103 D HA 0.002 4.642 4.640 0.000 0.000 0.214 103 D C 0.574 176.829 176.300 -0.075 0.000 1.063 103 D CA -0.038 53.846 54.000 -0.193 0.000 0.847 103 D CB -0.127 40.500 40.800 -0.289 0.000 0.933 103 D HN 0.495 nan 8.370 nan 0.000 0.513 104 E N -0.510 119.662 120.200 -0.046 0.000 3.170 104 E HA -0.254 4.096 4.350 0.000 0.000 0.284 104 E C 0.117 176.715 176.600 -0.004 0.000 0.967 104 E CA 0.383 56.775 56.400 -0.014 0.000 0.919 104 E CB -1.151 28.551 29.700 0.004 0.000 1.469 104 E HN 0.395 nan 8.360 nan 0.000 0.444 105 R N 0.308 120.799 120.500 -0.014 0.000 2.702 105 R HA 0.304 4.644 4.340 0.000 0.000 0.314 105 R C 0.858 177.152 176.300 -0.010 0.000 1.152 105 R CA 0.315 56.413 56.100 -0.004 0.000 1.097 105 R CB 0.830 31.130 30.300 0.000 0.000 1.343 105 R HN 0.292 nan 8.270 nan 0.000 0.575 106 G N 1.968 110.763 108.800 -0.009 0.000 2.741 106 G HA2 -0.241 3.719 3.960 0.000 0.000 0.222 106 G HA3 -0.241 3.719 3.960 0.000 0.000 0.222 106 G C -2.475 172.418 174.900 -0.011 0.000 1.364 106 G CA -1.226 43.870 45.100 -0.007 0.000 0.866 106 G HN 0.107 nan 8.290 nan 0.000 0.555 107 P HA 0.393 nan 4.420 nan 0.000 0.269 107 P C 0.145 177.435 177.300 -0.017 0.000 1.215 107 P CA -0.155 62.946 63.100 0.001 0.000 0.780 107 P CB 0.355 32.065 31.700 0.015 0.000 0.898 108 I N 2.627 123.181 120.570 -0.027 0.000 2.282 108 I HA 0.129 4.299 4.170 0.000 0.000 0.290 108 I C 0.765 176.828 176.117 -0.090 0.000 1.090 108 I CA -0.170 61.086 61.300 -0.072 0.000 1.231 108 I CB 0.043 37.980 38.000 -0.106 0.000 1.434 108 I HN 0.109 nan 8.210 nan 0.000 0.487 109 K N 5.210 125.567 120.400 -0.072 0.000 2.737 109 K HA 0.117 4.437 4.320 0.000 0.000 0.251 109 K C 0.460 176.997 176.600 -0.106 0.000 1.280 109 K CA -0.227 56.026 56.287 -0.056 0.000 1.219 109 K CB -0.317 32.168 32.500 -0.025 0.000 1.587 109 K HN 0.603 nan 8.250 nan 0.000 0.279 110 T N -1.842 112.586 114.554 -0.210 0.000 2.849 110 T HA 0.125 4.475 4.350 0.000 0.000 0.284 110 T C 1.049 175.635 174.700 -0.189 0.000 1.004 110 T CA -0.760 61.174 62.100 -0.276 0.000 1.021 110 T CB 1.285 69.860 68.868 -0.488 0.000 1.013 110 T HN 0.399 nan 8.240 nan 0.000 0.527 111 K N -0.112 120.206 120.400 -0.136 0.000 2.361 111 K HA 0.184 4.504 4.320 0.000 0.000 0.194 111 K C -0.032 176.575 176.600 0.010 0.000 1.032 111 K CA -0.128 56.146 56.287 -0.021 0.000 1.048 111 K CB 0.210 32.713 32.500 0.004 0.000 0.842 111 K HN 0.502 nan 8.250 nan 0.000 0.526 112 Q N 0.503 120.234 119.800 -0.116 0.000 2.342 112 Q HA 0.487 4.827 4.340 0.000 0.000 0.267 112 Q C -1.323 174.538 176.000 -0.232 0.000 1.038 112 Q CA -0.595 55.178 55.803 -0.050 0.000 0.832 112 Q CB 1.636 30.356 28.738 -0.030 0.000 1.323 112 Q HN 0.009 nan 8.270 nan 0.000 0.448 113 F N 0.355 120.277 119.950 -0.046 0.000 2.575 113 F HA 0.895 5.422 4.527 0.000 0.000 0.330 113 F C -0.185 175.600 175.800 -0.025 0.000 1.056 113 F CA -0.938 57.033 58.000 -0.048 0.000 0.964 113 F CB 1.853 40.834 39.000 -0.033 0.000 1.258 113 F HN 0.550 nan 8.300 nan 0.000 0.484 114 A N 0.717 123.624 122.820 0.144 0.000 2.520 114 A HA 0.798 5.118 4.320 0.000 0.000 0.298 114 A C -1.219 176.413 177.584 0.080 0.000 1.051 114 A CA -0.723 51.367 52.037 0.089 0.000 0.690 114 A CB 0.924 19.951 19.000 0.045 0.000 1.281 114 A HN 1.044 nan 8.150 nan 0.000 0.402 115 A N 1.315 124.177 122.820 0.070 0.000 2.477 115 A HA 0.445 4.765 4.320 0.000 0.000 0.246 115 A C 1.131 178.739 177.584 0.040 0.000 1.078 115 A CA 0.283 52.361 52.037 0.068 0.000 0.770 115 A CB -0.463 18.583 19.000 0.076 0.000 1.011 115 A HN 1.753 nan 8.150 nan 0.000 0.494 116 I N -0.315 120.262 120.570 0.013 0.000 2.761 116 I HA 0.024 4.194 4.170 0.000 0.000 0.261 116 I C 0.264 176.277 176.117 -0.173 0.000 1.198 116 I CA 0.544 61.789 61.300 -0.092 0.000 1.482 116 I CB -0.271 37.639 38.000 -0.149 0.000 1.100 116 I HN 0.531 nan 8.210 nan 0.000 0.445 117 H N 2.629 121.713 119.070 0.024 0.000 2.552 117 H HA 0.759 5.315 4.556 0.000 0.000 0.311 117 H C -0.549 174.788 175.328 0.015 0.000 1.071 117 H CA -0.186 55.874 56.048 0.020 0.000 1.307 117 H CB 1.504 31.277 29.762 0.017 0.000 1.416 117 H HN 0.421 nan 8.280 nan 0.000 0.464 118 A N 3.620 126.507 122.820 0.111 0.000 2.549 118 A HA 0.336 4.656 4.320 0.000 0.000 0.297 118 A C -0.285 177.335 177.584 0.058 0.000 1.061 118 A CA -0.850 51.228 52.037 0.069 0.000 0.690 118 A CB 1.761 20.784 19.000 0.039 0.000 1.287 118 A HN 0.702 nan 8.150 nan 0.000 0.402 119 E N 0.915 121.142 120.200 0.045 0.000 2.383 119 E HA 0.423 4.773 4.350 0.000 0.000 0.264 119 E C 0.621 177.239 176.600 0.029 0.000 1.050 119 E CA 0.015 56.438 56.400 0.038 0.000 0.896 119 E CB 1.076 30.794 29.700 0.031 0.000 0.982 119 E HN 0.849 nan 8.360 nan 0.000 0.424 120 A N 4.127 126.965 122.820 0.029 0.000 2.507 120 A HA 0.150 4.471 4.320 0.000 0.000 0.235 120 A C -2.095 175.503 177.584 0.023 0.000 1.070 120 A CA -1.010 51.041 52.037 0.023 0.000 0.768 120 A CB -0.435 18.582 19.000 0.029 0.000 1.011 120 A HN 0.350 nan 8.150 nan 0.000 0.502 121 P HA 0.076 nan 4.420 nan 0.000 0.264 121 P C -0.146 177.171 177.300 0.029 0.000 1.183 121 P CA 0.222 63.328 63.100 0.011 0.000 0.763 121 P CB 0.383 32.079 31.700 -0.007 0.000 0.807 122 E N 1.906 122.128 120.200 0.037 0.000 2.409 122 E HA -0.024 4.326 4.350 0.000 0.000 0.257 122 E C 0.898 177.557 176.600 0.097 0.000 1.150 122 E CA -0.205 56.240 56.400 0.076 0.000 0.942 122 E CB 0.103 29.846 29.700 0.071 0.000 0.979 122 E HN 0.403 nan 8.360 nan 0.000 0.447 123 F N 1.972 121.922 119.950 0.000 0.000 2.120 123 F HA -0.272 4.255 4.527 0.000 0.000 0.300 123 F C 1.973 177.771 175.800 -0.002 0.000 1.095 123 F CA 2.092 60.092 58.000 -0.001 0.000 1.249 123 F CB -0.243 38.757 39.000 -0.000 0.000 0.995 123 F HN 0.300 nan 8.300 nan 0.000 0.480 124 V N -2.238 117.730 119.914 0.090 0.000 2.867 124 V HA -0.189 3.931 4.120 0.000 0.000 0.260 124 V C 1.570 177.621 176.094 -0.072 0.000 1.099 124 V CA 2.020 64.317 62.300 -0.004 0.000 1.122 124 V CB -1.009 30.853 31.823 0.064 0.000 0.708 124 V HN 0.434 nan 8.190 nan 0.000 0.490 125 E N 0.008 120.170 120.200 -0.063 0.000 2.489 125 E HA 0.191 4.541 4.350 0.000 0.000 0.193 125 E C 0.508 177.050 176.600 -0.095 0.000 1.057 125 E CA -0.192 56.172 56.400 -0.061 0.000 0.866 125 E CB 0.073 29.756 29.700 -0.029 0.000 0.916 125 E HN 0.483 nan 8.360 nan 0.000 0.500 126 M N 0.832 120.333 119.600 -0.165 0.000 2.211 126 M HA 0.111 4.591 4.480 0.000 0.000 0.356 126 M C 0.369 176.570 176.300 -0.164 0.000 1.216 126 M CA -0.159 55.034 55.300 -0.178 0.000 1.134 126 M CB 1.119 33.556 32.600 -0.273 0.000 1.564 126 M HN -0.172 nan 8.290 nan 0.000 0.463 127 S N 1.988 117.619 115.700 -0.114 0.000 2.510 127 S HA 0.234 4.704 4.470 0.000 0.000 0.279 127 S C 1.070 175.607 174.600 -0.104 0.000 1.284 127 S CA -0.759 57.384 58.200 -0.094 0.000 1.059 127 S CB 0.313 63.473 63.200 -0.066 0.000 0.901 127 S HN 0.570 nan 8.310 nan 0.000 0.491 128 V N 2.022 121.875 119.914 -0.101 0.000 3.623 128 V HA 0.373 4.493 4.120 0.000 0.000 0.271 128 V C 0.419 176.481 176.094 -0.054 0.000 1.248 128 V CA 0.283 62.530 62.300 -0.089 0.000 1.156 128 V CB -1.078 30.694 31.823 -0.084 0.000 0.870 128 V HN 0.757 nan 8.190 nan 0.000 0.453 129 E N 0.681 120.852 120.200 -0.047 0.000 2.222 129 E HA 0.587 4.937 4.350 0.000 0.000 0.272 129 E C -0.710 175.873 176.600 -0.028 0.000 0.982 129 E CA -0.503 55.878 56.400 -0.032 0.000 0.842 129 E CB 1.389 31.074 29.700 -0.026 0.000 1.144 129 E HN 0.523 nan 8.360 nan 0.000 0.397 130 Q N 1.769 121.557 119.800 -0.019 0.000 2.325 130 Q HA 0.345 4.685 4.340 0.000 0.000 0.270 130 Q C -1.100 174.897 176.000 -0.006 0.000 1.020 130 Q CA -0.406 55.389 55.803 -0.015 0.000 0.785 130 Q CB 2.092 30.822 28.738 -0.013 0.000 1.259 130 Q HN 0.399 nan 8.270 nan 0.000 0.452 131 E N 2.253 122.451 120.200 -0.003 0.000 2.266 131 E HA 0.418 4.768 4.350 0.000 0.000 0.268 131 E C -0.569 176.041 176.600 0.018 0.000 0.879 131 E CA -0.774 55.631 56.400 0.008 0.000 0.762 131 E CB 2.310 32.011 29.700 0.002 0.000 1.199 131 E HN 0.447 nan 8.360 nan 0.000 0.422 132 I N 2.434 123.028 120.570 0.040 0.000 2.683 132 I HA -0.084 4.086 4.170 0.000 0.000 0.286 132 I C -0.033 176.107 176.117 0.038 0.000 1.175 132 I CA -0.022 61.314 61.300 0.060 0.000 1.429 132 I CB 0.123 38.181 38.000 0.098 0.000 1.371 132 I HN 0.308 nan 8.210 nan 0.000 0.569 133 L N 8.754 129.997 121.223 0.034 0.000 2.282 133 L HA 0.271 4.611 4.340 0.000 0.000 0.287 133 L C -0.142 176.756 176.870 0.047 0.000 1.075 133 L CA -0.179 54.637 54.840 -0.040 0.000 0.839 133 L CB 0.752 42.777 42.059 -0.057 0.000 1.219 133 L HN 0.282 nan 8.230 nan 0.000 0.434 134 V N 4.602 124.599 119.914 0.138 0.000 2.540 134 V HA 0.051 4.171 4.120 0.000 0.000 0.297 134 V C 1.543 177.761 176.094 0.208 0.000 1.024 134 V CA 0.857 63.260 62.300 0.172 0.000 1.105 134 V CB 0.643 32.571 31.823 0.175 0.000 0.938 134 V HN 0.953 nan 8.190 nan 0.000 0.482 135 T N 0.296 114.871 114.554 0.036 0.000 3.037 135 T HA 0.242 4.592 4.350 0.000 0.000 0.251 135 T C 1.490 176.179 174.700 -0.019 0.000 1.079 135 T CA 0.688 62.782 62.100 -0.011 0.000 1.067 135 T CB 0.372 69.132 68.868 -0.180 0.000 0.948 135 T HN 1.500 nan 8.240 nan 0.000 0.496 136 G N 1.708 110.501 108.800 -0.011 0.000 2.162 136 G HA2 -0.215 3.745 3.960 0.000 0.000 0.260 136 G HA3 -0.215 3.745 3.960 0.000 0.000 0.260 136 G C 0.008 174.913 174.900 0.008 0.000 0.976 136 G CA 0.267 45.361 45.100 -0.009 0.000 0.655 136 G HN 0.682 nan 8.290 nan 0.000 0.533 137 I N 0.600 121.171 120.570 0.002 0.000 2.312 137 I HA 0.257 4.427 4.170 0.000 0.000 0.290 137 I C 1.577 177.711 176.117 0.029 0.000 1.008 137 I CA -0.839 60.502 61.300 0.068 0.000 1.226 137 I CB 1.304 39.360 38.000 0.093 0.000 1.371 137 I HN -0.026 nan 8.210 nan 0.000 0.468 138 K N 3.689 124.108 120.400 0.032 0.000 2.015 138 K HA -0.203 4.117 4.320 0.000 0.000 0.216 138 K C 1.833 178.431 176.600 -0.004 0.000 1.052 138 K CA 1.911 58.214 56.287 0.026 0.000 0.937 138 K CB -0.282 32.228 32.500 0.015 0.000 0.719 138 K HN 0.594 nan 8.250 nan 0.000 0.446 139 V N 0.776 120.688 119.914 -0.005 0.000 2.231 139 V HA -0.290 3.830 4.120 0.000 0.000 0.250 139 V C 2.365 178.437 176.094 -0.037 0.000 1.058 139 V CA 2.073 64.351 62.300 -0.037 0.000 1.022 139 V CB -1.096 30.734 31.823 0.012 0.000 0.640 139 V HN 0.084 nan 8.190 nan 0.000 0.445 140 V N 0.649 120.546 119.914 -0.028 0.000 2.233 140 V HA -0.282 3.838 4.120 0.000 0.000 0.247 140 V C 2.487 178.541 176.094 -0.067 0.000 1.050 140 V CA 2.542 64.794 62.300 -0.079 0.000 1.010 140 V CB -0.925 30.748 31.823 -0.251 0.000 0.637 140 V HN 0.520 nan 8.190 nan 0.000 0.444 141 D N -0.342 120.019 120.400 -0.064 0.000 2.123 141 D HA -0.159 4.481 4.640 0.000 0.000 0.196 141 D C 1.913 178.278 176.300 0.107 0.000 0.992 141 D CA 1.327 55.331 54.000 0.007 0.000 0.833 141 D CB -0.295 40.506 40.800 0.002 0.000 0.954 141 D HN 0.342 nan 8.370 nan 0.000 0.455 142 L N -0.079 121.162 121.223 0.031 0.000 2.007 142 L HA -0.050 4.290 4.340 0.000 0.000 0.205 142 L C 2.102 179.053 176.870 0.136 0.000 1.073 142 L CA 1.511 56.378 54.840 0.045 0.000 0.744 142 L CB -0.260 41.669 42.059 -0.217 0.000 0.898 142 L HN -0.007 nan 8.230 nan 0.000 0.435 143 L N -1.208 120.015 121.223 -0.000 0.000 2.357 143 L HA 0.292 4.632 4.340 0.000 0.000 0.211 143 L C 0.785 177.662 176.870 0.013 0.000 1.075 143 L CA 0.492 55.319 54.840 -0.022 0.000 0.830 143 L CB -0.149 41.866 42.059 -0.074 0.000 0.996 143 L HN 0.269 nan 8.230 nan 0.000 0.467 144 A N 0.717 123.562 122.820 0.042 0.000 3.370 144 A HA 0.461 4.781 4.320 0.000 0.000 0.295 144 A C -2.623 175.038 177.584 0.130 0.000 1.030 144 A CA -0.952 51.135 52.037 0.083 0.000 0.883 144 A CB -0.152 18.911 19.000 0.105 0.000 1.191 144 A HN -0.138 nan 8.150 nan 0.000 0.507 145 P HA 0.217 nan 4.420 nan 0.000 0.274 145 P C -0.963 176.500 177.300 0.271 0.000 1.237 145 P CA 0.051 63.220 63.100 0.116 0.000 0.793 145 P CB 0.631 32.393 31.700 0.102 0.000 0.977 146 Y N 0.072 120.389 120.300 0.029 0.000 2.335 146 Y HA 0.373 4.923 4.550 0.000 0.000 0.331 146 Y C 1.100 176.993 175.900 -0.012 0.000 1.094 146 Y CA -1.486 56.616 58.100 0.003 0.000 1.253 146 Y CB -0.047 38.407 38.460 -0.009 0.000 1.203 146 Y HN 0.368 nan 8.280 nan 0.000 0.508 147 A N 4.583 127.470 122.820 0.112 0.000 2.320 147 A HA 0.278 4.598 4.320 0.000 0.000 0.287 147 A C 0.336 177.922 177.584 0.004 0.000 1.181 147 A CA -0.882 51.180 52.037 0.041 0.000 0.831 147 A CB 0.044 19.052 19.000 0.012 0.000 1.102 147 A HN 0.758 nan 8.150 nan 0.000 0.513 148 K N 1.724 122.117 120.400 -0.012 0.000 2.453 148 K HA 0.267 4.587 4.320 0.000 0.000 0.280 148 K C 1.203 177.772 176.600 -0.052 0.000 1.045 148 K CA 1.380 57.639 56.287 -0.048 0.000 1.059 148 K CB -0.103 32.362 32.500 -0.059 0.000 0.901 148 K HN 1.569 nan 8.250 nan 0.000 0.475 149 G N 2.495 111.254 108.800 -0.067 0.000 2.143 149 G HA2 -0.225 3.735 3.960 0.000 0.000 0.249 149 G HA3 -0.225 3.735 3.960 0.000 0.000 0.249 149 G C 0.286 175.144 174.900 -0.069 0.000 0.981 149 G CA -0.042 45.018 45.100 -0.066 0.000 0.665 149 G HN 0.912 nan 8.290 nan 0.000 0.528 150 G N -0.873 107.879 108.800 -0.081 0.000 2.521 150 G HA2 0.673 4.633 3.960 0.000 0.000 0.323 150 G HA3 0.673 4.633 3.960 0.000 0.000 0.323 150 G C -0.503 174.312 174.900 -0.140 0.000 1.211 150 G CA -0.743 44.305 45.100 -0.087 0.000 0.979 150 G HN 0.309 nan 8.290 nan 0.000 0.490 151 K N -0.523 119.797 120.400 -0.134 0.000 2.244 151 K HA 0.583 4.903 4.320 0.000 0.000 0.260 151 K C -0.912 175.561 176.600 -0.211 0.000 0.951 151 K CA -0.268 55.911 56.287 -0.181 0.000 0.826 151 K CB 2.042 34.460 32.500 -0.137 0.000 1.108 151 K HN 0.235 nan 8.250 nan 0.000 0.433 152 I N 1.432 121.826 120.570 -0.294 0.000 2.406 152 I HA 0.338 4.508 4.170 0.000 0.000 0.290 152 I C 0.421 176.414 176.117 -0.207 0.000 0.999 152 I CA -0.434 60.685 61.300 -0.303 0.000 1.124 152 I CB 2.137 39.761 38.000 -0.626 0.000 1.289 152 I HN 0.636 nan 8.210 nan 0.000 0.441 153 G N 6.315 115.049 108.800 -0.110 0.000 2.356 153 G HA2 0.478 4.438 3.960 0.000 0.000 0.300 153 G HA3 0.478 4.438 3.960 0.000 0.000 0.300 153 G C -0.864 174.060 174.900 0.039 0.000 1.107 153 G CA -0.331 44.694 45.100 -0.126 0.000 0.960 153 G HN 0.471 nan 8.290 nan 0.000 0.418 154 L N 3.738 124.905 121.223 -0.094 0.000 2.257 154 L HA 0.670 5.010 4.340 0.000 0.000 0.290 154 L C -1.151 175.683 176.870 -0.060 0.000 1.044 154 L CA -0.794 54.086 54.840 0.067 0.000 0.810 154 L CB 0.190 42.303 42.059 0.091 0.000 1.193 154 L HN 0.318 nan 8.230 nan 0.000 0.425 155 F N 4.157 124.155 119.950 0.081 0.000 2.450 155 F HA 0.804 5.331 4.527 0.000 0.000 0.332 155 F C 1.083 176.937 175.800 0.090 0.000 1.093 155 F CA 0.224 58.273 58.000 0.082 0.000 1.003 155 F CB 1.960 41.008 39.000 0.080 0.000 1.151 155 F HN 0.605 nan 8.300 nan 0.000 0.474 156 G N 0.255 109.199 108.800 0.239 0.000 4.142 156 G HA2 0.398 4.358 3.960 0.000 0.000 0.131 156 G HA3 0.398 4.358 3.960 0.000 0.000 0.131 156 G C 0.423 175.406 174.900 0.139 0.000 2.153 156 G CA 0.386 45.594 45.100 0.179 0.000 0.993 156 G HN 1.577 nan 8.290 nan 0.000 0.294 157 G N 0.407 109.281 108.800 0.124 0.000 2.503 157 G HA2 0.338 4.298 3.960 0.000 0.000 0.235 157 G HA3 0.338 4.298 3.960 0.000 0.000 0.235 157 G C 0.567 175.521 174.900 0.091 0.000 1.179 157 G CA 1.387 46.551 45.100 0.107 0.000 0.944 157 G HN 2.217 nan 8.290 nan 0.000 0.580 158 A N -0.355 122.512 122.820 0.077 0.000 2.293 158 A HA 0.772 5.092 4.320 0.000 0.000 0.302 158 A C 1.833 179.453 177.584 0.060 0.000 1.119 158 A CA 1.590 53.663 52.037 0.059 0.000 0.823 158 A CB 0.531 19.559 19.000 0.047 0.000 1.097 158 A HN 2.930 nan 8.150 nan 0.000 0.491 159 G N -0.603 108.224 108.800 0.046 0.000 2.153 159 G HA2 -0.117 3.843 3.960 0.000 0.000 0.252 159 G HA3 -0.117 3.843 3.960 0.000 0.000 0.252 159 G C 0.488 175.432 174.900 0.074 0.000 0.994 159 G CA 1.067 46.195 45.100 0.047 0.000 0.698 159 G HN 2.197 nan 8.290 nan 0.000 0.521 160 V N -3.637 116.328 119.914 0.085 0.000 3.070 160 V HA 0.700 4.820 4.120 0.000 0.000 0.345 160 V C 1.492 177.665 176.094 0.132 0.000 1.403 160 V CA 0.538 62.911 62.300 0.123 0.000 1.155 160 V CB 0.035 31.932 31.823 0.123 0.000 1.140 160 V HN 2.088 nan 8.190 nan 0.000 0.505 161 G N 1.528 110.376 108.800 0.081 0.000 2.246 161 G HA2 -0.332 3.628 3.960 0.000 0.000 0.273 161 G HA3 -0.332 3.628 3.960 0.000 0.000 0.273 161 G C 0.890 175.851 174.900 0.103 0.000 1.055 161 G CA 0.912 46.050 45.100 0.063 0.000 0.851 161 G HN 0.635 nan 8.290 nan 0.000 0.500 162 K N -0.574 119.880 120.400 0.091 0.000 2.001 162 K HA -0.080 4.240 4.320 0.000 0.000 0.208 162 K C 2.482 179.130 176.600 0.080 0.000 1.048 162 K CA 1.951 58.303 56.287 0.109 0.000 0.932 162 K CB -0.407 32.157 32.500 0.106 0.000 0.715 162 K HN 0.355 nan 8.250 nan 0.000 0.437 163 T N 1.294 115.868 114.554 0.033 0.000 2.708 163 T HA -0.108 4.242 4.350 0.000 0.000 0.266 163 T C 1.950 176.639 174.700 -0.017 0.000 1.037 163 T CA 1.416 63.505 62.100 -0.017 0.000 1.146 163 T CB -0.205 68.636 68.868 -0.045 0.000 0.865 163 T HN 0.000 nan 8.240 nan 0.000 0.435 164 V N 1.382 121.305 119.914 0.015 0.000 2.392 164 V HA -0.134 3.986 4.120 0.000 0.000 0.249 164 V C 2.367 178.531 176.094 0.116 0.000 1.059 164 V CA 1.355 63.693 62.300 0.064 0.000 1.051 164 V CB -0.628 31.243 31.823 0.080 0.000 0.658 164 V HN 0.320 nan 8.190 nan 0.000 0.455 165 L N -0.357 120.963 121.223 0.161 0.000 2.027 165 L HA -0.088 4.252 4.340 0.000 0.000 0.206 165 L C 2.152 179.059 176.870 0.061 0.000 1.074 165 L CA 1.776 56.719 54.840 0.171 0.000 0.745 165 L CB -0.416 41.794 42.059 0.253 0.000 0.898 165 L HN 0.189 nan 8.230 nan 0.000 0.433 166 I N -0.945 119.642 120.570 0.027 0.000 2.118 166 I HA -0.398 3.772 4.170 0.000 0.000 0.241 166 I C 2.486 178.479 176.117 -0.206 0.000 1.070 166 I CA 1.994 63.191 61.300 -0.171 0.000 1.327 166 I CB -0.269 37.523 38.000 -0.347 0.000 1.034 166 I HN 0.316 nan 8.210 nan 0.000 0.405 167 M N -0.490 119.022 119.600 -0.146 0.000 2.159 167 M HA -0.230 4.250 4.480 0.000 0.000 0.263 167 M C 2.243 178.485 176.300 -0.096 0.000 1.063 167 M CA 1.651 56.883 55.300 -0.113 0.000 1.110 167 M CB -0.421 32.133 32.600 -0.078 0.000 1.374 167 M HN 0.138 nan 8.290 nan 0.000 0.411 168 E N 0.942 121.045 120.200 -0.161 0.000 2.107 168 E HA -0.090 4.260 4.350 0.000 0.000 0.191 168 E C 1.803 178.282 176.600 -0.201 0.000 0.982 168 E CA 0.986 57.197 56.400 -0.315 0.000 0.809 168 E CB -0.199 28.969 29.700 -0.886 0.000 0.756 168 E HN 0.445 nan 8.360 nan 0.000 0.459 169 L N 0.041 121.230 121.223 -0.057 0.000 2.046 169 L HA -0.165 4.175 4.340 0.000 0.000 0.208 169 L C 2.390 179.354 176.870 0.158 0.000 1.077 169 L CA 1.103 56.011 54.840 0.114 0.000 0.747 169 L CB -0.408 41.871 42.059 0.367 0.000 0.896 169 L HN 0.223 nan 8.230 nan 0.000 0.432 170 I N -0.051 120.621 120.570 0.169 0.000 2.163 170 I HA -0.347 3.824 4.170 0.000 0.000 0.243 170 I C 2.316 178.475 176.117 0.070 0.000 1.085 170 I CA 1.773 63.164 61.300 0.152 0.000 1.347 170 I CB -0.435 37.623 38.000 0.096 0.000 1.044 170 I HN 0.346 nan 8.210 nan 0.000 0.408 171 N N 1.062 119.770 118.700 0.012 0.000 2.069 171 N HA -0.207 4.533 4.740 0.000 0.000 0.191 171 N C 1.600 177.100 175.510 -0.018 0.000 1.031 171 N CA 1.804 54.846 53.050 -0.013 0.000 0.852 171 N CB -0.054 38.404 38.487 -0.048 0.000 1.018 171 N HN 0.201 nan 8.380 nan 0.000 0.423 172 N N -0.485 118.196 118.700 -0.032 0.000 2.270 172 N HA -0.059 4.681 4.740 0.000 0.000 0.181 172 N C 1.565 177.084 175.510 0.016 0.000 1.016 172 N CA 0.595 53.627 53.050 -0.031 0.000 0.870 172 N CB -0.363 38.090 38.487 -0.056 0.000 0.979 172 N HN 0.099 nan 8.380 nan 0.000 0.431 173 V N 1.027 120.991 119.914 0.083 0.000 2.453 173 V HA -0.081 4.039 4.120 0.000 0.000 0.247 173 V C 2.254 178.398 176.094 0.083 0.000 1.048 173 V CA 1.545 63.951 62.300 0.177 0.000 1.049 173 V CB -0.805 31.114 31.823 0.160 0.000 0.672 173 V HN 0.279 nan 8.190 nan 0.000 0.457 174 A N -0.354 122.478 122.820 0.020 0.000 1.902 174 A HA -0.250 4.070 4.320 0.000 0.000 0.217 174 A C 2.306 179.850 177.584 -0.066 0.000 1.181 174 A CA 2.166 54.175 52.037 -0.046 0.000 0.623 174 A CB -0.403 18.591 19.000 -0.009 0.000 0.818 174 A HN 0.489 nan 8.150 nan 0.000 0.443 175 K N -0.718 119.650 120.400 -0.054 0.000 2.001 175 K HA 0.012 4.332 4.320 0.000 0.000 0.208 175 K C 2.137 178.661 176.600 -0.126 0.000 1.048 175 K CA 1.157 57.399 56.287 -0.074 0.000 0.932 175 K CB -0.242 32.222 32.500 -0.060 0.000 0.715 175 K HN 0.392 nan 8.250 nan 0.000 0.437 176 A N -0.239 122.462 122.820 -0.197 0.000 2.021 176 A HA -0.061 4.259 4.320 0.000 0.000 0.216 176 A C 1.148 178.385 177.584 -0.579 0.000 1.163 176 A CA 0.993 52.783 52.037 -0.411 0.000 0.676 176 A CB -0.170 18.498 19.000 -0.554 0.000 0.818 176 A HN 0.355 nan 8.150 nan 0.000 0.453 177 H N -2.255 116.784 119.070 -0.052 0.000 3.233 177 H HA 0.248 4.804 4.556 0.000 0.000 0.263 177 H C 1.438 176.710 175.328 -0.094 0.000 1.168 177 H CA 0.383 56.396 56.048 -0.058 0.000 1.159 177 H CB 0.317 30.052 29.762 -0.046 0.000 1.593 177 H HN 0.569 nan 8.280 nan 0.000 0.580 178 G N 1.495 110.264 108.800 -0.051 0.000 2.187 178 G HA2 -0.253 3.707 3.960 0.000 0.000 0.261 178 G HA3 -0.253 3.707 3.960 0.000 0.000 0.261 178 G C 0.688 175.422 174.900 -0.277 0.000 1.000 178 G CA 0.422 45.427 45.100 -0.157 0.000 0.718 178 G HN 0.665 nan 8.290 nan 0.000 0.519 179 G N -0.909 107.780 108.800 -0.186 0.000 2.348 179 G HA2 0.612 4.572 3.960 0.000 0.000 0.312 179 G HA3 0.612 4.572 3.960 0.000 0.000 0.312 179 G C -0.139 174.606 174.900 -0.257 0.000 1.126 179 G CA -0.810 44.160 45.100 -0.217 0.000 0.865 179 G HN 0.289 nan 8.290 nan 0.000 0.474 180 Y N 0.581 120.748 120.300 -0.222 0.000 2.289 180 Y HA 0.489 5.039 4.550 0.000 0.000 0.332 180 Y C 1.146 176.954 175.900 -0.154 0.000 1.324 180 Y CA -0.255 57.662 58.100 -0.305 0.000 1.478 180 Y CB 1.552 39.553 38.460 -0.765 0.000 1.378 180 Y HN 0.425 nan 8.280 nan 0.000 0.558 181 S N 0.071 115.850 115.700 0.130 0.000 2.599 181 S HA 0.696 5.166 4.470 0.000 0.000 0.294 181 S C -1.351 173.374 174.600 0.208 0.000 1.094 181 S CA -0.806 57.511 58.200 0.194 0.000 0.931 181 S CB 1.991 65.379 63.200 0.313 0.000 1.093 181 S HN 0.289 nan 8.310 nan 0.000 0.488 182 V N 2.282 122.352 119.914 0.261 0.000 2.588 182 V HA 0.505 4.625 4.120 0.000 0.000 0.304 182 V C -1.295 175.008 176.094 0.348 0.000 1.042 182 V CA -0.689 61.763 62.300 0.253 0.000 0.877 182 V CB 1.498 33.437 31.823 0.193 0.000 0.996 182 V HN 0.848 nan 8.190 nan 0.000 0.425 183 F N 4.234 124.293 119.950 0.181 0.000 2.388 183 F HA 0.775 5.302 4.527 0.000 0.000 0.358 183 F C 0.312 176.208 175.800 0.160 0.000 1.122 183 F CA -0.508 57.612 58.000 0.200 0.000 1.056 183 F CB 1.089 40.156 39.000 0.111 0.000 1.155 183 F HN 0.560 nan 8.300 nan 0.000 0.461 184 A N 4.937 127.583 122.820 -0.289 0.000 2.273 184 A HA 0.589 4.909 4.320 0.000 0.000 0.320 184 A C 0.139 177.544 177.584 -0.299 0.000 1.358 184 A CA -0.338 51.611 52.037 -0.147 0.000 0.910 184 A CB -0.010 18.926 19.000 -0.107 0.000 1.159 184 A HN 1.021 nan 8.150 nan 0.000 0.526 185 G N 1.749 110.621 108.800 0.120 0.000 2.448 185 G HA2 0.476 4.436 3.960 0.000 0.000 0.309 185 G HA3 0.476 4.436 3.960 0.000 0.000 0.309 185 G C -0.418 174.538 174.900 0.093 0.000 1.027 185 G CA -0.127 45.086 45.100 0.188 0.000 1.104 185 G HN 0.628 nan 8.290 nan 0.000 0.428 186 V N 2.693 122.623 119.914 0.026 0.000 2.348 186 V HA 0.593 4.713 4.120 0.000 0.000 0.270 186 V C 1.145 177.260 176.094 0.035 0.000 1.037 186 V CA 0.434 62.761 62.300 0.045 0.000 0.872 186 V CB 0.674 32.535 31.823 0.064 0.000 1.002 186 V HN 1.305 nan 8.190 nan 0.000 0.464 187 G N 3.875 112.689 108.800 0.023 0.000 2.298 187 G HA2 -0.230 3.730 3.960 0.000 0.000 0.287 187 G HA3 -0.230 3.730 3.960 0.000 0.000 0.287 187 G C -0.086 174.805 174.900 -0.015 0.000 1.075 187 G CA 0.284 45.385 45.100 0.002 0.000 0.960 187 G HN 0.860 nan 8.290 nan 0.000 0.502 188 E N 0.143 120.316 120.200 -0.044 0.000 2.324 188 E HA 0.424 4.774 4.350 0.000 0.000 0.271 188 E C 1.080 177.609 176.600 -0.119 0.000 1.028 188 E CA -0.386 55.941 56.400 -0.122 0.000 0.890 188 E CB 0.326 29.823 29.700 -0.338 0.000 1.004 188 E HN 0.503 nan 8.360 nan 0.000 0.431 189 R N 3.466 123.909 120.500 -0.094 0.000 2.401 189 R HA 0.096 4.436 4.340 0.000 0.000 0.299 189 R C 1.067 177.310 176.300 -0.095 0.000 1.064 189 R CA 0.160 56.218 56.100 -0.070 0.000 1.000 189 R CB 0.487 30.763 30.300 -0.041 0.000 0.973 189 R HN 0.657 nan 8.270 nan 0.000 0.438 190 T N 2.187 116.701 114.554 -0.066 0.000 2.685 190 T HA -0.261 4.089 4.350 0.000 0.000 0.268 190 T C 1.763 176.448 174.700 -0.024 0.000 1.034 190 T CA 1.602 63.672 62.100 -0.049 0.000 1.149 190 T CB -0.157 68.704 68.868 -0.011 0.000 0.860 190 T HN 0.565 nan 8.240 nan 0.000 0.449 191 R N 1.027 121.520 120.500 -0.012 0.000 2.070 191 R HA -0.132 4.208 4.340 0.000 0.000 0.233 191 R C 2.320 178.625 176.300 0.008 0.000 1.137 191 R CA 1.848 57.953 56.100 0.008 0.000 0.945 191 R CB -0.160 30.143 30.300 0.006 0.000 0.845 191 R HN 0.504 nan 8.270 nan 0.000 0.430 192 E N -0.951 119.236 120.200 -0.021 0.000 2.106 192 E HA -0.109 4.241 4.350 0.000 0.000 0.192 192 E C 1.892 178.460 176.600 -0.054 0.000 0.984 192 E CA 0.997 57.381 56.400 -0.027 0.000 0.806 192 E CB -0.172 29.509 29.700 -0.033 0.000 0.750 192 E HN 0.608 nan 8.360 nan 0.000 0.458 193 G N 1.318 110.033 108.800 -0.142 0.000 2.422 193 G HA2 -0.351 3.609 3.960 0.000 0.000 0.218 193 G HA3 -0.351 3.609 3.960 0.000 0.000 0.218 193 G C 1.393 176.365 174.900 0.120 0.000 1.146 193 G CA 1.126 46.074 45.100 -0.253 0.000 0.769 193 G HN 0.241 nan 8.290 nan 0.000 0.547 194 N N 0.491 119.267 118.700 0.127 0.000 2.106 194 N HA -0.097 4.643 4.740 0.000 0.000 0.188 194 N C 1.682 177.370 175.510 0.298 0.000 1.029 194 N CA 1.620 54.817 53.050 0.244 0.000 0.848 194 N CB -0.120 38.487 38.487 0.201 0.000 1.007 194 N HN 0.096 nan 8.380 nan 0.000 0.423 195 D N 0.100 120.605 120.400 0.174 0.000 2.117 195 D HA -0.136 4.504 4.640 0.000 0.000 0.197 195 D C 1.921 178.288 176.300 0.112 0.000 0.987 195 D CA 0.588 54.674 54.000 0.143 0.000 0.829 195 D CB -0.454 40.385 40.800 0.066 0.000 0.961 195 D HN 0.304 nan 8.370 nan 0.000 0.460 196 L N 0.010 121.271 121.223 0.064 0.000 2.046 196 L HA -0.193 4.147 4.340 0.000 0.000 0.208 196 L C 2.225 179.108 176.870 0.021 0.000 1.077 196 L CA 1.521 56.353 54.840 -0.014 0.000 0.747 196 L CB -0.785 41.200 42.059 -0.123 0.000 0.896 196 L HN 0.016 nan 8.230 nan 0.000 0.432 197 Y N 0.050 120.320 120.300 -0.049 0.000 2.145 197 Y HA -0.286 4.264 4.550 0.000 0.000 0.286 197 Y C 2.551 178.341 175.900 -0.183 0.000 1.145 197 Y CA 2.335 60.351 58.100 -0.140 0.000 1.148 197 Y CB -0.710 37.651 38.460 -0.165 0.000 0.981 197 Y HN 0.451 nan 8.280 nan 0.000 0.507 198 H N -0.560 118.431 119.070 -0.130 0.000 2.423 198 H HA -0.063 4.493 4.556 0.000 0.000 0.297 198 H C 2.108 177.363 175.328 -0.122 0.000 1.075 198 H CA 1.533 57.458 56.048 -0.205 0.000 1.342 198 H CB -0.016 29.696 29.762 -0.083 0.000 1.395 198 H HN 0.437 nan 8.280 nan 0.000 0.530 199 E N 0.125 120.351 120.200 0.043 0.000 2.118 199 E HA -0.185 4.165 4.350 0.000 0.000 0.195 199 E C 1.808 178.396 176.600 -0.020 0.000 0.992 199 E CA 1.134 57.552 56.400 0.030 0.000 0.804 199 E CB 0.014 29.721 29.700 0.011 0.000 0.741 199 E HN 0.489 nan 8.360 nan 0.000 0.458 200 M N -0.212 119.338 119.600 -0.083 0.000 2.288 200 M HA -0.074 4.406 4.480 0.000 0.000 0.266 200 M C 2.064 178.295 176.300 -0.116 0.000 1.072 200 M CA 0.945 56.186 55.300 -0.099 0.000 1.132 200 M CB 0.030 32.562 32.600 -0.113 0.000 1.386 200 M HN 0.121 nan 8.290 nan 0.000 0.432 201 I N -0.108 120.349 120.570 -0.190 0.000 2.202 201 I HA -0.255 3.915 4.170 0.000 0.000 0.242 201 I C 2.483 178.546 176.117 -0.090 0.000 1.091 201 I CA 1.113 62.302 61.300 -0.185 0.000 1.368 201 I CB -0.393 37.429 38.000 -0.296 0.000 1.058 201 I HN 0.233 nan 8.210 nan 0.000 0.410 202 E N 0.682 120.853 120.200 -0.048 0.000 2.085 202 E HA -0.216 4.134 4.350 0.000 0.000 0.194 202 E C 2.355 178.954 176.600 -0.002 0.000 0.994 202 E CA 1.929 58.320 56.400 -0.015 0.000 0.801 202 E CB -0.302 29.420 29.700 0.037 0.000 0.743 202 E HN 0.538 nan 8.360 nan 0.000 0.453 203 S N -1.121 114.591 115.700 0.020 0.000 2.489 203 S HA 0.065 4.535 4.470 0.000 0.000 0.228 203 S C 1.637 176.235 174.600 -0.004 0.000 0.995 203 S CA 1.093 59.309 58.200 0.027 0.000 0.934 203 S CB 0.281 63.504 63.200 0.039 0.000 0.771 203 S HN 0.346 nan 8.310 nan 0.000 0.522 204 G N 0.404 109.189 108.800 -0.026 0.000 2.175 204 G HA2 -0.319 3.641 3.960 0.000 0.000 0.244 204 G HA3 -0.319 3.641 3.960 0.000 0.000 0.244 204 G C 0.813 175.697 174.900 -0.026 0.000 0.982 204 G CA 0.486 45.569 45.100 -0.029 0.000 0.641 204 G HN 1.369 nan 8.290 nan 0.000 0.527 205 V N -1.627 118.270 119.914 -0.029 0.000 2.871 205 V HA 0.443 4.564 4.120 0.000 0.000 0.256 205 V C 1.346 177.423 176.094 -0.029 0.000 1.082 205 V CA 1.093 63.380 62.300 -0.021 0.000 1.105 205 V CB -0.223 31.586 31.823 -0.023 0.000 0.713 205 V HN 0.452 nan 8.190 nan 0.000 0.473 206 I N 1.907 122.444 120.570 -0.054 0.000 2.404 206 I HA 0.431 4.601 4.170 0.000 0.000 0.293 206 I C -0.471 175.604 176.117 -0.069 0.000 0.992 206 I CA -0.211 61.051 61.300 -0.063 0.000 1.149 206 I CB 1.612 39.557 38.000 -0.090 0.000 1.315 206 I HN 0.174 nan 8.210 nan 0.000 0.446 207 N N 6.519 125.188 118.700 -0.053 0.000 2.399 207 N HA 0.328 5.068 4.740 0.000 0.000 0.284 207 N C 0.198 175.683 175.510 -0.042 0.000 1.025 207 N CA -0.427 52.594 53.050 -0.048 0.000 0.885 207 N CB 2.015 40.483 38.487 -0.032 0.000 1.339 207 N HN 0.594 nan 8.380 nan 0.000 0.487 208 L N 2.978 124.172 121.223 -0.047 0.000 2.478 208 L HA 0.028 4.368 4.340 0.000 0.000 0.223 208 L C 1.578 178.437 176.870 -0.018 0.000 1.140 208 L CA 0.925 55.748 54.840 -0.028 0.000 0.842 208 L CB 0.119 42.159 42.059 -0.031 0.000 0.953 208 L HN 0.429 nan 8.230 nan 0.000 0.452 209 K N -0.768 119.620 120.400 -0.020 0.000 2.335 209 K HA 0.065 4.385 4.320 0.000 0.000 0.195 209 K C 0.106 176.699 176.600 -0.012 0.000 1.058 209 K CA 0.296 56.574 56.287 -0.014 0.000 0.988 209 K CB 0.335 32.826 32.500 -0.015 0.000 0.880 209 K HN 0.308 nan 8.250 nan 0.000 0.513 210 D N -1.205 119.187 120.400 -0.013 0.000 2.758 210 D HA 0.336 4.976 4.640 0.000 0.000 0.262 210 D C -0.398 175.895 176.300 -0.013 0.000 1.113 210 D CA -0.931 53.064 54.000 -0.009 0.000 1.114 210 D CB 0.515 41.311 40.800 -0.005 0.000 1.363 210 D HN -0.123 nan 8.370 nan 0.000 0.617 211 A N -0.826 121.989 122.820 -0.008 0.000 2.610 211 A HA 0.318 4.638 4.320 0.000 0.000 0.286 211 A C 0.924 178.503 177.584 -0.009 0.000 1.306 211 A CA 0.282 52.311 52.037 -0.013 0.000 0.942 211 A CB -0.934 18.064 19.000 -0.004 0.000 1.112 211 A HN 0.564 nan 8.150 nan 0.000 0.527 212 T N -2.392 112.160 114.554 -0.003 0.000 3.244 212 T HA 0.220 4.570 4.350 0.000 0.000 0.254 212 T C 0.396 175.098 174.700 0.004 0.000 1.024 212 T CA -0.012 62.098 62.100 0.017 0.000 0.920 212 T CB -0.474 68.407 68.868 0.021 0.000 1.042 212 T HN 0.107 nan 8.240 nan 0.000 0.572 213 S N 1.741 117.419 115.700 -0.037 0.000 2.533 213 S HA 0.222 4.692 4.470 0.000 0.000 0.282 213 S C 1.008 175.562 174.600 -0.077 0.000 1.304 213 S CA -0.525 57.643 58.200 -0.053 0.000 1.063 213 S CB 1.047 64.206 63.200 -0.068 0.000 0.881 213 S HN 0.495 nan 8.310 nan 0.000 0.493 214 K N 1.081 121.476 120.400 -0.010 0.000 2.352 214 K HA 0.136 4.456 4.320 0.000 0.000 0.194 214 K C -0.180 176.436 176.600 0.026 0.000 1.038 214 K CA 0.322 56.655 56.287 0.076 0.000 1.023 214 K CB 0.404 32.974 32.500 0.118 0.000 0.840 214 K HN 0.499 nan 8.250 nan 0.000 0.519 215 V N -0.037 119.871 119.914 -0.009 0.000 2.588 215 V HA 0.635 4.755 4.120 0.000 0.000 0.304 215 V C -0.517 175.584 176.094 0.012 0.000 1.042 215 V CA -1.539 60.781 62.300 0.033 0.000 0.877 215 V CB 1.457 33.317 31.823 0.062 0.000 0.996 215 V HN 0.008 nan 8.190 nan 0.000 0.425 216 A N 5.350 128.201 122.820 0.051 0.000 2.309 216 A HA 0.848 5.168 4.320 0.000 0.000 0.298 216 A C -0.468 177.154 177.584 0.064 0.000 1.165 216 A CA -0.518 51.545 52.037 0.043 0.000 0.821 216 A CB 0.555 19.606 19.000 0.085 0.000 1.102 216 A HN 0.892 nan 8.150 nan 0.000 0.500 217 L N 2.473 123.681 121.223 -0.025 0.000 2.317 217 L HA 0.625 4.965 4.340 0.000 0.000 0.281 217 L C -0.978 175.817 176.870 -0.126 0.000 1.024 217 L CA -0.843 53.956 54.840 -0.068 0.000 0.810 217 L CB 1.910 43.777 42.059 -0.320 0.000 1.240 217 L HN 0.425 nan 8.230 nan 0.000 0.427 218 V N 2.985 122.904 119.914 0.009 0.000 2.524 218 V HA 0.380 4.500 4.120 0.000 0.000 0.297 218 V C -1.010 175.234 176.094 0.250 0.000 1.035 218 V CA -0.559 61.766 62.300 0.041 0.000 0.867 218 V CB 1.597 33.458 31.823 0.064 0.000 1.004 218 V HN 0.508 nan 8.190 nan 0.000 0.426 219 Y N 2.055 122.392 120.300 0.061 0.000 2.328 219 Y HA 0.640 5.190 4.550 0.000 0.000 0.336 219 Y C 0.819 176.744 175.900 0.041 0.000 0.960 219 Y CA -1.005 57.135 58.100 0.067 0.000 1.134 219 Y CB 2.503 40.986 38.460 0.039 0.000 1.166 219 Y HN 0.719 nan 8.280 nan 0.000 0.464 220 G N 4.540 113.452 108.800 0.187 0.000 2.873 220 G HA2 0.322 4.282 3.960 0.000 0.000 0.340 220 G HA3 0.322 4.282 3.960 0.000 0.000 0.340 220 G C -0.835 174.097 174.900 0.053 0.000 1.171 220 G CA -0.444 44.715 45.100 0.098 0.000 1.113 220 G HN 0.611 nan 8.290 nan 0.000 0.471 221 Q N 1.443 121.267 119.800 0.040 0.000 2.417 221 Q HA 0.231 4.571 4.340 0.000 0.000 0.241 221 Q C 1.487 177.484 176.000 -0.004 0.000 1.008 221 Q CA -0.359 55.441 55.803 -0.004 0.000 0.901 221 Q CB 1.553 30.291 28.738 -0.001 0.000 1.259 221 Q HN 0.522 nan 8.270 nan 0.000 0.489 222 M N 1.172 120.762 119.600 -0.017 0.000 2.279 222 M HA -0.179 4.301 4.480 0.000 0.000 0.264 222 M C 1.214 177.509 176.300 -0.009 0.000 1.062 222 M CA 1.610 56.901 55.300 -0.014 0.000 1.099 222 M CB -0.364 32.224 32.600 -0.019 0.000 1.394 222 M HN 0.685 nan 8.290 nan 0.000 0.426 223 N N -0.309 118.388 118.700 -0.005 0.000 2.449 223 N HA 0.025 4.766 4.740 0.000 0.000 0.191 223 N C -0.293 175.218 175.510 0.002 0.000 1.161 223 N CA -0.130 52.919 53.050 -0.002 0.000 0.863 223 N CB 0.132 38.619 38.487 -0.000 0.000 0.980 223 N HN 0.346 nan 8.380 nan 0.000 0.458 224 E N 1.503 121.705 120.200 0.004 0.000 2.283 224 E HA 0.257 4.607 4.350 0.000 0.000 0.271 224 E C -2.212 174.389 176.600 0.001 0.000 1.031 224 E CA -2.329 54.076 56.400 0.007 0.000 0.868 224 E CB 0.887 30.596 29.700 0.016 0.000 1.094 224 E HN 0.174 nan 8.360 nan 0.000 0.401 225 P HA 0.027 nan 4.420 nan 0.000 0.272 225 P C -2.288 175.007 177.300 -0.009 0.000 1.240 225 P CA -1.205 61.892 63.100 -0.004 0.000 0.791 225 P CB 0.127 31.827 31.700 0.001 0.000 0.978 226 P HA -0.184 nan 4.420 nan 0.000 0.215 226 P C 1.734 179.017 177.300 -0.028 0.000 1.157 226 P CA 2.196 65.277 63.100 -0.033 0.000 0.874 226 P CB -0.643 31.033 31.700 -0.040 0.000 0.790 227 G N 0.035 108.827 108.800 -0.014 0.000 2.469 227 G HA2 -0.313 3.647 3.960 0.000 0.000 0.219 227 G HA3 -0.313 3.647 3.960 0.000 0.000 0.219 227 G C 1.671 176.578 174.900 0.012 0.000 1.150 227 G CA 1.243 46.344 45.100 0.001 0.000 0.763 227 G HN 0.372 nan 8.290 nan 0.000 0.561 228 A N 0.698 123.526 122.820 0.013 0.000 1.873 228 A HA 0.026 4.346 4.320 0.000 0.000 0.215 228 A C 2.452 180.050 177.584 0.023 0.000 1.186 228 A CA 1.717 53.767 52.037 0.022 0.000 0.616 228 A CB -0.410 18.604 19.000 0.023 0.000 0.823 228 A HN 0.338 nan 8.150 nan 0.000 0.442 229 R N -0.456 120.050 120.500 0.011 0.000 2.120 229 R HA -0.042 4.298 4.340 0.000 0.000 0.234 229 R C 2.296 178.603 176.300 0.013 0.000 1.123 229 R CA 1.156 57.263 56.100 0.012 0.000 0.975 229 R CB -0.380 29.915 30.300 -0.008 0.000 0.866 229 R HN 0.528 nan 8.270 nan 0.000 0.446 230 A N 0.556 123.363 122.820 -0.021 0.000 1.968 230 A HA -0.055 4.265 4.320 0.000 0.000 0.217 230 A C 1.783 179.393 177.584 0.043 0.000 1.169 230 A CA 0.934 52.934 52.037 -0.062 0.000 0.638 230 A CB -0.014 18.916 19.000 -0.116 0.000 0.812 230 A HN 0.042 nan 8.150 nan 0.000 0.446 231 R N -0.081 120.447 120.500 0.046 0.000 2.210 231 R HA 0.007 4.347 4.340 0.000 0.000 0.203 231 R C 2.013 178.335 176.300 0.038 0.000 1.010 231 R CA 1.248 57.373 56.100 0.042 0.000 1.008 231 R CB -1.283 29.032 30.300 0.026 0.000 0.923 231 R HN 0.534 nan 8.270 nan 0.000 0.469 232 V N -0.310 119.638 119.914 0.056 0.000 2.380 232 V HA -0.200 3.920 4.120 0.000 0.000 0.251 232 V C 2.441 178.555 176.094 0.034 0.000 1.063 232 V CA 1.777 64.107 62.300 0.050 0.000 1.055 232 V CB -1.396 30.468 31.823 0.069 0.000 0.657 232 V HN 0.164 nan 8.190 nan 0.000 0.455 233 A N 1.049 123.904 122.820 0.058 0.000 1.917 233 A HA -0.130 4.190 4.320 0.000 0.000 0.219 233 A C 2.272 179.823 177.584 -0.055 0.000 1.182 233 A CA 2.365 54.387 52.037 -0.026 0.000 0.633 233 A CB -0.639 18.308 19.000 -0.089 0.000 0.819 233 A HN 0.580 nan 8.150 nan 0.000 0.448 234 L N -1.035 120.167 121.223 -0.034 0.000 2.093 234 L HA -0.132 4.208 4.340 0.000 0.000 0.208 234 L C 2.753 179.576 176.870 -0.078 0.000 1.085 234 L CA 1.737 56.525 54.840 -0.087 0.000 0.755 234 L CB -1.415 40.540 42.059 -0.173 0.000 0.904 234 L HN 0.349 nan 8.230 nan 0.000 0.435 235 T N 0.235 114.757 114.554 -0.053 0.000 2.652 235 T HA -0.152 4.198 4.350 0.000 0.000 0.267 235 T C 1.903 176.592 174.700 -0.018 0.000 1.039 235 T CA 1.569 63.650 62.100 -0.031 0.000 1.153 235 T CB -0.654 68.209 68.868 -0.008 0.000 0.863 235 T HN 0.551 nan 8.240 nan 0.000 0.428 236 G N 1.643 110.438 108.800 -0.009 0.000 2.459 236 G HA2 -0.176 3.784 3.960 0.000 0.000 0.217 236 G HA3 -0.176 3.784 3.960 0.000 0.000 0.217 236 G C 1.520 176.420 174.900 -0.000 0.000 1.183 236 G CA 0.856 45.959 45.100 0.005 0.000 0.776 236 G HN 0.385 nan 8.290 nan 0.000 0.552 237 L N 1.240 122.442 121.223 -0.034 0.000 2.043 237 L HA -0.100 4.240 4.340 0.000 0.000 0.212 237 L C 2.885 179.747 176.870 -0.013 0.000 1.075 237 L CA 2.716 57.533 54.840 -0.039 0.000 0.752 237 L CB -1.162 40.853 42.059 -0.075 0.000 0.891 237 L HN 0.237 nan 8.230 nan 0.000 0.432 238 T N -1.281 113.261 114.554 -0.020 0.000 2.821 238 T HA -0.133 4.217 4.350 0.000 0.000 0.267 238 T C 2.003 176.700 174.700 -0.005 0.000 1.046 238 T CA 1.449 63.542 62.100 -0.013 0.000 1.139 238 T CB -0.375 68.479 68.868 -0.023 0.000 0.871 238 T HN 0.229 nan 8.240 nan 0.000 0.454 239 V N 1.861 121.773 119.914 -0.004 0.000 2.343 239 V HA -0.180 3.940 4.120 0.000 0.000 0.247 239 V C 2.921 179.065 176.094 0.083 0.000 1.051 239 V CA 1.680 63.975 62.300 -0.007 0.000 1.036 239 V CB -1.288 30.553 31.823 0.030 0.000 0.654 239 V HN 0.529 nan 8.190 nan 0.000 0.451 240 A N -0.247 122.658 122.820 0.143 0.000 1.902 240 A HA -0.265 4.055 4.320 0.000 0.000 0.217 240 A C 2.173 179.857 177.584 0.166 0.000 1.181 240 A CA 1.966 54.136 52.037 0.222 0.000 0.623 240 A CB -0.542 18.531 19.000 0.122 0.000 0.818 240 A HN 0.613 nan 8.150 nan 0.000 0.443 241 E N -1.669 118.574 120.200 0.073 0.000 2.118 241 E HA -0.248 4.103 4.350 0.000 0.000 0.195 241 E C 1.785 178.396 176.600 0.018 0.000 0.992 241 E CA 1.535 57.957 56.400 0.037 0.000 0.804 241 E CB -0.350 29.358 29.700 0.013 0.000 0.741 241 E HN 0.809 nan 8.360 nan 0.000 0.458 242 Y N 0.258 120.470 120.300 -0.147 0.000 2.128 242 Y HA -0.283 4.267 4.550 0.000 0.000 0.284 242 Y C 1.749 177.521 175.900 -0.213 0.000 1.154 242 Y CA 1.757 59.704 58.100 -0.255 0.000 1.149 242 Y CB -0.310 37.872 38.460 -0.463 0.000 0.976 242 Y HN -0.015 nan 8.280 nan 0.000 0.505 243 F N -0.108 119.947 119.950 0.175 0.000 2.186 243 F HA -0.149 4.378 4.527 0.000 0.000 0.299 243 F C 2.754 178.546 175.800 -0.013 0.000 1.090 243 F CA 1.524 59.592 58.000 0.113 0.000 1.307 243 F CB -0.426 38.709 39.000 0.224 0.000 1.019 243 F HN -0.056 nan 8.300 nan 0.000 0.489 244 R N 0.740 121.322 120.500 0.137 0.000 2.062 244 R HA -0.142 4.198 4.340 0.000 0.000 0.231 244 R C 1.697 177.979 176.300 -0.030 0.000 1.136 244 R CA 2.135 58.260 56.100 0.042 0.000 0.948 244 R CB -0.361 29.954 30.300 0.026 0.000 0.845 244 R HN 0.119 nan 8.270 nan 0.000 0.430 245 D N 0.281 120.636 120.400 -0.075 0.000 2.103 245 D HA -0.119 4.521 4.640 0.000 0.000 0.199 245 D C 1.909 178.109 176.300 -0.167 0.000 0.978 245 D CA 1.151 55.089 54.000 -0.104 0.000 0.829 245 D CB -0.084 40.660 40.800 -0.093 0.000 0.981 245 D HN 0.376 nan 8.370 nan 0.000 0.464 246 Q N -0.020 119.585 119.800 -0.326 0.000 2.396 246 Q HA 0.094 4.434 4.340 0.000 0.000 0.209 246 Q C 0.890 176.703 176.000 -0.312 0.000 0.906 246 Q CA 0.471 56.023 55.803 -0.418 0.000 0.927 246 Q CB 0.682 28.908 28.738 -0.854 0.000 1.069 246 Q HN 0.457 nan 8.270 nan 0.000 0.523 247 E N -0.167 119.904 120.200 -0.215 0.000 2.601 247 E HA 0.176 4.526 4.350 0.000 0.000 0.219 247 E C 0.434 177.031 176.600 -0.005 0.000 0.964 247 E CA 0.199 56.573 56.400 -0.044 0.000 1.050 247 E CB 1.142 30.912 29.700 0.118 0.000 1.068 247 E HN 0.361 nan 8.360 nan 0.000 0.496 248 G N 2.699 111.483 108.800 -0.027 0.000 2.225 248 G HA2 -0.334 3.626 3.960 0.000 0.000 0.267 248 G HA3 -0.334 3.626 3.960 0.000 0.000 0.267 248 G C 0.146 175.046 174.900 0.000 0.000 1.024 248 G CA 0.626 45.717 45.100 -0.016 0.000 0.784 248 G HN 0.247 nan 8.290 nan 0.000 0.507 249 Q N -0.289 119.528 119.800 0.027 0.000 2.256 249 Q HA 0.372 4.712 4.340 0.000 0.000 0.232 249 Q C -0.581 175.422 176.000 0.005 0.000 0.965 249 Q CA -0.518 55.295 55.803 0.017 0.000 0.908 249 Q CB 0.807 29.571 28.738 0.044 0.000 1.209 249 Q HN 0.223 nan 8.270 nan 0.000 0.489 250 D N 1.762 122.148 120.400 -0.023 0.000 2.479 250 D HA 0.192 4.832 4.640 0.000 0.000 0.218 250 D C -0.722 175.553 176.300 -0.042 0.000 1.131 250 D CA -0.023 53.947 54.000 -0.050 0.000 0.916 250 D CB 0.842 41.578 40.800 -0.107 0.000 1.022 250 D HN 0.132 nan 8.370 nan 0.000 0.515 251 V N 2.284 122.194 119.914 -0.007 0.000 2.785 251 V HA 0.305 4.425 4.120 0.000 0.000 0.300 251 V C 0.686 176.768 176.094 -0.020 0.000 1.062 251 V CA -0.736 61.578 62.300 0.023 0.000 1.029 251 V CB 1.836 33.721 31.823 0.102 0.000 1.024 251 V HN 0.338 nan 8.190 nan 0.000 0.477 252 L N 3.834 125.054 121.223 -0.005 0.000 2.296 252 L HA 0.553 4.893 4.340 0.000 0.000 0.286 252 L C -0.886 175.924 176.870 -0.099 0.000 1.023 252 L CA -0.593 54.190 54.840 -0.096 0.000 0.812 252 L CB 1.618 43.650 42.059 -0.045 0.000 1.223 252 L HN 0.529 nan 8.230 nan 0.000 0.421 253 L N 4.541 125.616 121.223 -0.246 0.000 2.342 253 L HA 0.516 4.856 4.340 0.000 0.000 0.276 253 L C -1.138 175.514 176.870 -0.363 0.000 0.997 253 L CA 0.102 54.835 54.840 -0.178 0.000 0.838 253 L CB 0.969 42.956 42.059 -0.120 0.000 1.224 253 L HN 0.203 nan 8.230 nan 0.000 0.416 254 F N 5.833 125.729 119.950 -0.090 0.000 2.404 254 F HA 0.494 5.021 4.527 0.000 0.000 0.345 254 F C 0.247 175.834 175.800 -0.355 0.000 1.110 254 F CA -0.262 57.625 58.000 -0.188 0.000 1.130 254 F CB 0.903 39.834 39.000 -0.115 0.000 1.129 254 F HN 0.250 nan 8.300 nan 0.000 0.500 255 I N 3.194 123.656 120.570 -0.181 0.000 2.382 255 I HA 0.224 4.394 4.170 0.000 0.000 0.285 255 I C -0.988 175.010 176.117 -0.198 0.000 1.007 255 I CA -0.433 60.724 61.300 -0.239 0.000 1.142 255 I CB 1.363 39.226 38.000 -0.228 0.000 1.289 255 I HN 0.432 nan 8.210 nan 0.000 0.453 256 D N 6.457 126.695 120.400 -0.269 0.000 2.454 256 D HA 0.308 4.948 4.640 0.000 0.000 0.247 256 D C -0.905 175.376 176.300 -0.032 0.000 1.129 256 D CA -0.325 53.609 54.000 -0.109 0.000 0.877 256 D CB 1.030 41.809 40.800 -0.035 0.000 1.082 256 D HN 0.696 nan 8.370 nan 0.000 0.537 257 N N 1.775 120.488 118.700 0.021 0.000 2.509 257 N HA 0.303 5.043 4.740 0.000 0.000 0.280 257 N C 0.265 175.819 175.510 0.072 0.000 1.306 257 N CA -0.780 52.289 53.050 0.032 0.000 0.782 257 N CB 1.243 39.772 38.487 0.071 0.000 1.493 257 N HN 0.077 nan 8.380 nan 0.000 0.498 258 I N -0.076 120.529 120.570 0.059 0.000 2.617 258 I HA 0.102 4.272 4.170 0.000 0.000 0.256 258 I C 1.376 177.629 176.117 0.226 0.000 1.167 258 I CA 0.608 61.956 61.300 0.081 0.000 1.469 258 I CB -0.473 37.500 38.000 -0.045 0.000 1.098 258 I HN 0.712 nan 8.210 nan 0.000 0.436 259 F N 1.401 121.415 119.950 0.106 0.000 2.171 259 F HA -0.180 4.347 4.527 0.000 0.000 0.300 259 F C 2.416 178.302 175.800 0.143 0.000 1.090 259 F CA 1.646 59.740 58.000 0.157 0.000 1.293 259 F CB -0.296 38.841 39.000 0.229 0.000 1.013 259 F HN -0.055 nan 8.300 nan 0.000 0.486 260 R N -1.099 119.437 120.500 0.060 0.000 2.153 260 R HA -0.097 4.243 4.340 0.000 0.000 0.218 260 R C 2.198 178.479 176.300 -0.033 0.000 1.072 260 R CA 1.174 57.242 56.100 -0.053 0.000 0.990 260 R CB -0.681 29.645 30.300 0.044 0.000 0.889 260 R HN 0.437 nan 8.270 nan 0.000 0.452 261 F N 1.379 121.277 119.950 -0.088 0.000 2.146 261 F HA -0.153 4.374 4.527 0.000 0.000 0.298 261 F C 2.028 177.772 175.800 -0.093 0.000 1.096 261 F CA 1.494 59.447 58.000 -0.078 0.000 1.275 261 F CB -0.321 38.639 39.000 -0.067 0.000 1.008 261 F HN -0.198 nan 8.300 nan 0.000 0.480 262 T N 0.445 114.913 114.554 -0.143 0.000 2.708 262 T HA -0.169 4.181 4.350 0.000 0.000 0.266 262 T C 1.859 176.405 174.700 -0.257 0.000 1.037 262 T CA 1.520 63.484 62.100 -0.226 0.000 1.146 262 T CB -0.199 68.642 68.868 -0.046 0.000 0.865 262 T HN 0.280 nan 8.240 nan 0.000 0.435 263 Q N 0.519 120.118 119.800 -0.336 0.000 2.167 263 Q HA 0.120 4.460 4.340 0.000 0.000 0.202 263 Q C 2.621 178.493 176.000 -0.213 0.000 0.970 263 Q CA 1.220 56.842 55.803 -0.303 0.000 0.855 263 Q CB -0.560 27.902 28.738 -0.459 0.000 0.911 263 Q HN 0.559 nan 8.270 nan 0.000 0.438 264 A N 0.653 123.342 122.820 -0.218 0.000 1.898 264 A HA -0.044 4.276 4.320 0.000 0.000 0.216 264 A C 2.333 179.804 177.584 -0.188 0.000 1.181 264 A CA 1.634 53.568 52.037 -0.172 0.000 0.620 264 A CB -0.966 17.948 19.000 -0.143 0.000 0.819 264 A HN 0.430 nan 8.150 nan 0.000 0.442 265 G N -0.955 107.674 108.800 -0.284 0.000 2.422 265 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 265 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 265 G C 1.893 176.710 174.900 -0.138 0.000 1.146 265 G CA 1.421 46.373 45.100 -0.246 0.000 0.769 265 G HN 0.531 nan 8.290 nan 0.000 0.547 266 S N 0.092 115.722 115.700 -0.117 0.000 2.382 266 S HA -0.085 4.385 4.470 0.000 0.000 0.228 266 S C 2.258 176.814 174.600 -0.073 0.000 1.027 266 S CA 1.797 59.958 58.200 -0.065 0.000 0.991 266 S CB -0.199 62.968 63.200 -0.055 0.000 0.823 266 S HN 0.601 nan 8.310 nan 0.000 0.469 267 E N 0.032 120.180 120.200 -0.088 0.000 2.046 267 E HA -0.060 4.290 4.350 0.000 0.000 0.190 267 E C 2.168 178.735 176.600 -0.054 0.000 0.982 267 E CA 1.238 57.596 56.400 -0.070 0.000 0.800 267 E CB -0.200 29.456 29.700 -0.073 0.000 0.756 267 E HN 0.316 nan 8.360 nan 0.000 0.449 268 V N 1.086 120.964 119.914 -0.060 0.000 2.287 268 V HA -0.304 3.817 4.120 0.000 0.000 0.248 268 V C 2.450 178.523 176.094 -0.035 0.000 1.053 268 V CA 2.042 64.316 62.300 -0.044 0.000 1.027 268 V CB -0.599 31.194 31.823 -0.049 0.000 0.646 268 V HN 0.282 nan 8.190 nan 0.000 0.447 269 S N -0.282 115.394 115.700 -0.041 0.000 2.370 269 S HA -0.231 4.239 4.470 0.000 0.000 0.226 269 S C 2.123 176.710 174.600 -0.022 0.000 1.033 269 S CA 1.802 59.986 58.200 -0.027 0.000 1.011 269 S CB -0.376 62.810 63.200 -0.024 0.000 0.852 269 S HN 0.635 nan 8.310 nan 0.000 0.457 270 A N 1.464 124.267 122.820 -0.028 0.000 1.902 270 A HA 0.049 4.369 4.320 0.000 0.000 0.217 270 A C 2.223 179.796 177.584 -0.019 0.000 1.181 270 A CA 1.489 53.511 52.037 -0.025 0.000 0.623 270 A CB -0.841 18.139 19.000 -0.034 0.000 0.818 270 A HN 0.589 nan 8.150 nan 0.000 0.443 271 L N -0.711 120.500 121.223 -0.020 0.000 2.131 271 L HA -0.132 4.208 4.340 0.000 0.000 0.210 271 L C 2.127 178.992 176.870 -0.009 0.000 1.092 271 L CA 0.805 55.636 54.840 -0.014 0.000 0.759 271 L CB -0.458 41.592 42.059 -0.015 0.000 0.903 271 L HN 0.362 nan 8.230 nan 0.000 0.435 272 L N -0.575 120.643 121.223 -0.008 0.000 2.554 272 L HA 0.075 4.415 4.340 0.000 0.000 0.226 272 L C 1.572 178.441 176.870 -0.002 0.000 1.137 272 L CA 0.650 55.488 54.840 -0.003 0.000 0.863 272 L CB -0.361 41.696 42.059 -0.003 0.000 0.985 272 L HN 0.513 nan 8.230 nan 0.000 0.451 273 G N 0.282 109.080 108.800 -0.004 0.000 2.175 273 G HA2 -0.277 3.683 3.960 0.000 0.000 0.244 273 G HA3 -0.277 3.683 3.960 0.000 0.000 0.244 273 G C 0.347 175.246 174.900 -0.002 0.000 0.982 273 G CA -0.365 44.733 45.100 -0.003 0.000 0.641 273 G HN 0.337 nan 8.290 nan 0.000 0.527 274 R N 0.317 120.816 120.500 -0.002 0.000 2.522 274 R HA 0.350 4.690 4.340 0.000 0.000 0.284 274 R C 1.000 177.300 176.300 0.000 0.000 1.032 274 R CA -0.137 55.963 56.100 -0.000 0.000 1.049 274 R CB 0.457 30.757 30.300 -0.001 0.000 0.956 274 R HN 0.380 nan 8.270 nan 0.000 0.422 275 I N 6.054 126.627 120.570 0.004 0.000 2.668 275 I HA -0.016 4.154 4.170 0.000 0.000 0.285 275 I C -1.675 174.448 176.117 0.009 0.000 1.168 275 I CA -1.455 59.849 61.300 0.005 0.000 1.424 275 I CB 0.227 38.231 38.000 0.008 0.000 1.377 275 I HN 0.306 nan 8.210 nan 0.000 0.560 276 P HA 0.115 nan 4.420 nan 0.000 0.274 276 P C -0.246 177.071 177.300 0.029 0.000 1.237 276 P CA -0.296 62.812 63.100 0.013 0.000 0.793 276 P CB 0.903 32.599 31.700 -0.006 0.000 0.977 277 S N 0.657 116.389 115.700 0.054 0.000 2.566 277 S HA 0.621 5.091 4.470 0.000 0.000 0.277 277 S C -0.159 174.492 174.600 0.085 0.000 1.150 277 S CA -0.433 57.809 58.200 0.071 0.000 1.032 277 S CB -0.136 63.119 63.200 0.092 0.000 1.157 277 S HN 0.532 nan 8.310 nan 0.000 0.507 278 A N 0.401 123.283 122.820 0.103 0.000 2.546 278 A HA 0.401 4.721 4.320 0.000 0.000 0.243 278 A C 1.018 178.705 177.584 0.173 0.000 1.063 278 A CA 0.406 52.511 52.037 0.112 0.000 0.757 278 A CB -0.923 18.139 19.000 0.104 0.000 0.991 278 A HN 1.664 nan 8.150 nan 0.000 0.503 279 V N 1.150 121.130 119.914 0.110 0.000 2.886 279 V HA -0.310 3.810 4.120 0.000 0.000 0.162 279 V C 1.759 177.791 176.094 -0.103 0.000 0.448 279 V CA 1.549 63.893 62.300 0.073 0.000 1.186 279 V CB -2.460 29.496 31.823 0.222 0.000 1.373 279 V HN 2.940 nan 8.190 nan 0.000 1.100 280 G N -2.386 106.377 108.800 -0.061 0.000 2.159 280 G HA2 -0.331 3.629 3.960 0.000 0.000 0.256 280 G HA3 -0.331 3.629 3.960 0.000 0.000 0.256 280 G C -0.139 174.650 174.900 -0.186 0.000 0.977 280 G CA 0.336 45.356 45.100 -0.133 0.000 0.652 280 G HN 0.925 nan 8.290 nan 0.000 0.531 281 Y N 1.674 121.985 120.300 0.018 0.000 2.357 281 Y HA 0.385 4.935 4.550 0.000 0.000 0.340 281 Y C 1.486 177.382 175.900 -0.007 0.000 1.260 281 Y CA -0.067 58.035 58.100 0.004 0.000 1.425 281 Y CB 0.492 38.965 38.460 0.023 0.000 1.326 281 Y HN 0.399 nan 8.280 nan 0.000 0.580 282 Q N 3.525 123.414 119.800 0.149 0.000 2.386 282 Q HA 0.011 4.351 4.340 0.000 0.000 0.282 282 Q C -2.258 173.786 176.000 0.072 0.000 1.050 282 Q CA -1.454 54.388 55.803 0.066 0.000 0.918 282 Q CB 0.611 29.363 28.738 0.025 0.000 1.266 282 Q HN 0.404 nan 8.270 nan 0.000 0.423 283 P HA -0.107 nan 4.420 nan 0.000 0.222 283 P C 0.839 178.161 177.300 0.037 0.000 1.147 283 P CA 1.482 64.608 63.100 0.042 0.000 0.790 283 P CB -0.113 31.604 31.700 0.028 0.000 0.780 284 T N -3.528 111.043 114.554 0.029 0.000 3.278 284 T HA 0.134 4.484 4.350 0.000 0.000 0.251 284 T C 1.404 176.120 174.700 0.028 0.000 1.039 284 T CA -0.362 61.753 62.100 0.024 0.000 0.935 284 T CB -0.848 68.027 68.868 0.012 0.000 1.034 284 T HN -0.163 nan 8.240 nan 0.000 0.575 285 L N 1.822 123.066 121.223 0.035 0.000 2.021 285 L HA -0.039 4.301 4.340 0.000 0.000 0.215 285 L C 2.623 179.519 176.870 0.044 0.000 1.074 285 L CA 2.311 57.167 54.840 0.028 0.000 0.760 285 L CB -1.110 40.958 42.059 0.016 0.000 0.889 285 L HN 0.404 nan 8.230 nan 0.000 0.433 286 A N -1.857 120.996 122.820 0.054 0.000 1.970 286 A HA -0.108 4.212 4.320 0.000 0.000 0.216 286 A C 2.285 179.928 177.584 0.098 0.000 1.170 286 A CA 1.742 53.830 52.037 0.085 0.000 0.645 286 A CB -1.069 17.975 19.000 0.073 0.000 0.816 286 A HN 0.627 nan 8.150 nan 0.000 0.447 287 T N -2.519 112.078 114.554 0.071 0.000 2.896 287 T HA -0.087 4.263 4.350 0.000 0.000 0.263 287 T C 1.307 176.052 174.700 0.076 0.000 1.050 287 T CA 1.253 63.394 62.100 0.069 0.000 1.140 287 T CB -0.410 68.487 68.868 0.048 0.000 0.877 287 T HN 0.271 nan 8.240 nan 0.000 0.457 288 D N 1.140 121.582 120.400 0.069 0.000 2.116 288 D HA -0.089 4.551 4.640 0.000 0.000 0.193 288 D C 1.897 178.320 176.300 0.205 0.000 0.998 288 D CA 1.284 55.338 54.000 0.090 0.000 0.836 288 D CB -0.400 40.396 40.800 -0.006 0.000 0.951 288 D HN 0.340 nan 8.370 nan 0.000 0.449 289 M N 0.361 120.066 119.600 0.175 0.000 2.156 289 M HA 0.067 4.547 4.480 0.000 0.000 0.264 289 M C 1.960 178.214 176.300 -0.076 0.000 1.067 289 M CA 1.752 57.129 55.300 0.128 0.000 1.131 289 M CB -0.649 32.005 32.600 0.090 0.000 1.368 289 M HN -0.005 nan 8.290 nan 0.000 0.416 290 G N -1.228 107.585 108.800 0.022 0.000 2.404 290 G HA2 -0.216 3.744 3.960 0.000 0.000 0.215 290 G HA3 -0.216 3.744 3.960 0.000 0.000 0.215 290 G C 1.448 176.361 174.900 0.022 0.000 1.174 290 G CA 1.487 46.616 45.100 0.050 0.000 0.780 290 G HN 0.587 nan 8.290 nan 0.000 0.537 291 T N -1.620 112.963 114.554 0.048 0.000 2.881 291 T HA -0.025 4.325 4.350 0.000 0.000 0.270 291 T C 2.191 176.905 174.700 0.024 0.000 1.068 291 T CA 1.417 63.547 62.100 0.050 0.000 1.131 291 T CB -0.099 68.815 68.868 0.077 0.000 0.871 291 T HN 0.129 nan 8.240 nan 0.000 0.479 292 M N 0.700 120.298 119.600 -0.003 0.000 2.171 292 M HA 0.031 4.511 4.480 0.000 0.000 0.260 292 M C 2.339 178.537 176.300 -0.171 0.000 1.087 292 M CA 1.390 56.635 55.300 -0.093 0.000 1.154 292 M CB -0.673 31.822 32.600 -0.176 0.000 1.331 292 M HN 0.171 nan 8.290 nan 0.000 0.431 293 Q N 0.521 120.164 119.800 -0.262 0.000 2.135 293 Q HA -0.175 4.165 4.340 0.000 0.000 0.204 293 Q C 1.710 177.635 176.000 -0.125 0.000 0.981 293 Q CA 1.303 56.931 55.803 -0.290 0.000 0.856 293 Q CB -0.493 27.880 28.738 -0.608 0.000 0.902 293 Q HN 0.577 nan 8.270 nan 0.000 0.425 294 E N 0.490 120.656 120.200 -0.056 0.000 2.338 294 E HA -0.112 4.238 4.350 0.000 0.000 0.197 294 E C 1.881 178.473 176.600 -0.013 0.000 1.007 294 E CA 0.392 56.796 56.400 0.007 0.000 0.849 294 E CB -0.048 29.679 29.700 0.045 0.000 0.774 294 E HN 0.324 nan 8.360 nan 0.000 0.506 295 R N 0.176 120.655 120.500 -0.036 0.000 2.148 295 R HA 0.058 4.398 4.340 0.000 0.000 0.223 295 R C 0.846 177.119 176.300 -0.046 0.000 1.088 295 R CA 0.366 56.446 56.100 -0.034 0.000 0.985 295 R CB 0.018 30.295 30.300 -0.038 0.000 0.880 295 R HN 0.066 nan 8.270 nan 0.000 0.451 296 I N 1.177 121.707 120.570 -0.068 0.000 2.347 296 I HA 0.065 4.235 4.170 0.000 0.000 0.294 296 I C 0.259 176.341 176.117 -0.057 0.000 1.090 296 I CA 0.352 61.606 61.300 -0.076 0.000 1.314 296 I CB 1.197 39.128 38.000 -0.115 0.000 1.423 296 I HN -0.021 nan 8.210 nan 0.000 0.503 297 T N 3.047 117.571 114.554 -0.050 0.000 2.663 297 T HA 0.267 4.617 4.350 0.000 0.000 0.305 297 T C -0.955 173.718 174.700 -0.045 0.000 1.660 297 T CA -0.517 61.556 62.100 -0.044 0.000 0.976 297 T CB 1.463 70.312 68.868 -0.032 0.000 1.705 297 T HN 0.379 nan 8.240 nan 0.000 0.494 298 T N 2.657 117.183 114.554 -0.047 0.000 2.744 298 T HA 0.579 4.929 4.350 0.000 0.000 0.291 298 T C 0.570 175.240 174.700 -0.050 0.000 0.957 298 T CA -0.434 61.637 62.100 -0.048 0.000 1.002 298 T CB 0.837 69.676 68.868 -0.049 0.000 0.919 298 T HN 0.825 nan 8.240 nan 0.000 0.468 299 T N 0.808 115.335 114.554 -0.045 0.000 2.888 299 T HA 0.429 4.779 4.350 0.000 0.000 0.283 299 T C 1.206 175.878 174.700 -0.047 0.000 1.013 299 T CA -0.876 61.196 62.100 -0.047 0.000 0.938 299 T CB 1.000 69.846 68.868 -0.038 0.000 1.298 299 T HN 0.373 nan 8.240 nan 0.000 0.580 300 K N -0.365 120.008 120.400 -0.046 0.000 2.366 300 K HA 0.124 4.444 4.320 0.000 0.000 0.198 300 K C 2.173 178.753 176.600 -0.033 0.000 1.044 300 K CA 0.623 56.886 56.287 -0.040 0.000 0.973 300 K CB 0.006 32.482 32.500 -0.039 0.000 0.767 300 K HN 0.456 nan 8.250 nan 0.000 0.475 301 K N -0.615 119.766 120.400 -0.033 0.000 2.284 301 K HA 0.059 4.379 4.320 0.000 0.000 0.198 301 K C 0.585 177.168 176.600 -0.028 0.000 1.048 301 K CA 0.568 56.837 56.287 -0.030 0.000 0.987 301 K CB 0.744 33.223 32.500 -0.035 0.000 0.800 301 K HN 0.232 nan 8.250 nan 0.000 0.486 302 G N -0.629 108.154 108.800 -0.028 0.000 2.392 302 G HA2 0.202 4.162 3.960 0.000 0.000 0.260 302 G HA3 0.202 4.162 3.960 0.000 0.000 0.260 302 G C -1.581 173.301 174.900 -0.030 0.000 1.226 302 G CA -0.223 44.862 45.100 -0.025 0.000 0.913 302 G HN 0.140 nan 8.290 nan 0.000 0.483 303 S N -1.314 114.370 115.700 -0.028 0.000 2.550 303 S HA 0.768 5.238 4.470 0.000 0.000 0.270 303 S C -1.295 173.288 174.600 -0.029 0.000 1.145 303 S CA -0.780 57.398 58.200 -0.037 0.000 0.852 303 S CB 1.755 64.922 63.200 -0.054 0.000 1.119 303 S HN 0.934 nan 8.310 nan 0.000 0.465 304 I N 1.958 122.504 120.570 -0.039 0.000 2.389 304 I HA 0.416 4.586 4.170 0.000 0.000 0.288 304 I C -0.508 175.557 176.117 -0.086 0.000 0.999 304 I CA -0.435 60.836 61.300 -0.048 0.000 1.129 304 I CB 2.182 40.159 38.000 -0.038 0.000 1.288 304 I HN 0.644 nan 8.210 nan 0.000 0.444 305 T N 3.908 118.394 114.554 -0.113 0.000 2.797 305 T HA 0.331 4.681 4.350 0.000 0.000 0.279 305 T C -0.327 174.230 174.700 -0.238 0.000 0.991 305 T CA -0.508 61.499 62.100 -0.155 0.000 0.979 305 T CB 1.549 70.339 68.868 -0.130 0.000 0.943 305 T HN 0.508 nan 8.240 nan 0.000 0.444 306 S N 2.395 117.932 115.700 -0.271 0.000 2.519 306 S HA 0.600 5.070 4.470 0.000 0.000 0.309 306 S C -0.569 173.797 174.600 -0.390 0.000 1.100 306 S CA -0.615 57.384 58.200 -0.335 0.000 1.059 306 S CB 0.624 63.667 63.200 -0.262 0.000 1.008 306 S HN 0.471 nan 8.310 nan 0.000 0.478 307 V N 5.981 125.603 119.914 -0.487 0.000 2.370 307 V HA 0.453 4.573 4.120 0.000 0.000 0.279 307 V C -0.363 175.608 176.094 -0.206 0.000 1.029 307 V CA -0.444 61.638 62.300 -0.363 0.000 0.870 307 V CB 1.241 32.864 31.823 -0.332 0.000 0.984 307 V HN 0.857 nan 8.190 nan 0.000 0.451 308 Q N 3.358 123.050 119.800 -0.179 0.000 2.327 308 Q HA 0.662 5.002 4.340 0.000 0.000 0.270 308 Q C -0.151 175.761 176.000 -0.146 0.000 1.022 308 Q CA -0.499 55.208 55.803 -0.161 0.000 0.773 308 Q CB 2.169 30.782 28.738 -0.209 0.000 1.251 308 Q HN 0.891 nan 8.270 nan 0.000 0.457 309 A N 4.251 127.024 122.820 -0.079 0.000 2.524 309 A HA 0.270 4.590 4.320 0.000 0.000 0.250 309 A C -0.189 177.307 177.584 -0.146 0.000 1.078 309 A CA 0.054 52.043 52.037 -0.080 0.000 0.761 309 A CB 0.091 19.099 19.000 0.014 0.000 1.012 309 A HN 0.636 nan 8.150 nan 0.000 0.500 310 I N 2.841 123.219 120.570 -0.320 0.000 2.378 310 I HA 0.207 4.377 4.170 0.000 0.000 0.291 310 I C -0.631 175.373 176.117 -0.188 0.000 0.992 310 I CA -0.276 60.807 61.300 -0.360 0.000 1.154 310 I CB 1.098 38.596 38.000 -0.836 0.000 1.315 310 I HN 0.738 nan 8.210 nan 0.000 0.448 311 Y N 6.399 126.617 120.300 -0.136 0.000 2.331 311 Y HA 0.490 5.040 4.550 0.000 0.000 0.338 311 Y C -0.568 175.183 175.900 -0.250 0.000 0.992 311 Y CA -0.655 57.336 58.100 -0.181 0.000 1.121 311 Y CB 1.578 39.914 38.460 -0.208 0.000 1.184 311 Y HN 0.281 nan 8.280 nan 0.000 0.469 312 V N 9.374 128.793 119.914 -0.826 0.000 2.304 312 V HA 0.295 4.415 4.120 0.000 0.000 0.269 312 V C -2.124 173.526 176.094 -0.740 0.000 1.036 312 V CA -1.959 60.028 62.300 -0.522 0.000 0.840 312 V CB 0.428 32.156 31.823 -0.158 0.000 1.036 312 V HN 0.692 nan 8.190 nan 0.000 0.466 313 P HA 0.128 nan 4.420 nan 0.000 0.268 313 P C 0.634 177.868 177.300 -0.111 0.000 1.204 313 P CA 0.829 63.779 63.100 -0.250 0.000 0.768 313 P CB 1.064 32.796 31.700 0.054 0.000 0.842 314 A N 3.387 126.172 122.820 -0.058 0.000 2.945 314 A HA -0.252 4.068 4.320 0.000 0.000 0.263 314 A C 0.859 178.415 177.584 -0.046 0.000 1.293 314 A CA 1.287 53.315 52.037 -0.015 0.000 0.944 314 A CB -2.610 16.408 19.000 0.030 0.000 1.093 314 A HN 0.621 nan 8.150 nan 0.000 0.786 315 D N -1.161 119.171 120.400 -0.112 0.000 2.811 315 D HA -0.198 4.442 4.640 0.000 0.000 0.231 315 D C -0.238 176.033 176.300 -0.050 0.000 1.157 315 D CA 1.877 55.822 54.000 -0.091 0.000 0.716 315 D CB -0.952 39.813 40.800 -0.057 0.000 1.077 315 D HN 0.913 nan 8.370 nan 0.000 0.428 316 D N 0.344 120.722 120.400 -0.038 0.000 2.454 316 D HA 0.258 4.898 4.640 0.000 0.000 0.225 316 D C 1.385 177.684 176.300 -0.002 0.000 1.081 316 D CA -0.532 53.462 54.000 -0.010 0.000 0.864 316 D CB 0.476 41.286 40.800 0.018 0.000 1.040 316 D HN 0.065 nan 8.370 nan 0.000 0.517 317 L N 2.457 123.665 121.223 -0.025 0.000 2.362 317 L HA -0.070 4.270 4.340 0.000 0.000 0.219 317 L C 2.194 179.039 176.870 -0.042 0.000 1.134 317 L CA 1.314 56.127 54.840 -0.046 0.000 0.807 317 L CB -0.241 41.731 42.059 -0.145 0.000 0.927 317 L HN 0.488 nan 8.230 nan 0.000 0.447 318 T N -4.804 109.737 114.554 -0.021 0.000 3.107 318 T HA -0.021 4.329 4.350 0.000 0.000 0.249 318 T C 0.531 175.250 174.700 0.031 0.000 1.096 318 T CA -0.425 61.671 62.100 -0.006 0.000 1.012 318 T CB -0.379 68.484 68.868 -0.009 0.000 0.977 318 T HN 0.151 nan 8.240 nan 0.000 0.527 319 D N 2.485 122.918 120.400 0.055 0.000 2.488 319 D HA 0.136 4.776 4.640 0.000 0.000 0.238 319 D C -1.328 174.999 176.300 0.045 0.000 1.138 319 D CA -1.623 52.437 54.000 0.100 0.000 0.873 319 D CB 1.166 42.056 40.800 0.149 0.000 1.183 319 D HN -0.022 nan 8.370 nan 0.000 0.458 320 P HA -0.256 nan 4.420 nan 0.000 0.217 320 P C 0.694 177.821 177.300 -0.289 0.000 1.151 320 P CA 1.867 64.868 63.100 -0.165 0.000 0.849 320 P CB 0.056 31.617 31.700 -0.231 0.000 0.787 321 A N -0.075 122.491 122.820 -0.422 0.000 1.855 321 A HA -0.101 4.219 4.320 0.000 0.000 0.215 321 A C 0.015 177.648 177.584 0.080 0.000 1.191 321 A CA 2.063 53.983 52.037 -0.193 0.000 0.613 321 A CB -2.208 16.832 19.000 0.066 0.000 0.829 321 A HN 0.231 nan 8.150 nan 0.000 0.442 322 P HA -0.082 nan 4.420 nan 0.000 0.217 322 P C 1.620 179.152 177.300 0.386 0.000 1.151 322 P CA 1.850 65.137 63.100 0.311 0.000 0.828 322 P CB -0.189 31.725 31.700 0.357 0.000 0.788 323 A N 0.194 123.135 122.820 0.203 0.000 1.892 323 A HA -0.189 4.131 4.320 0.000 0.000 0.218 323 A C 2.364 180.048 177.584 0.166 0.000 1.188 323 A CA 2.727 54.857 52.037 0.155 0.000 0.631 323 A CB -1.999 17.036 19.000 0.057 0.000 0.822 323 A HN 0.206 nan 8.150 nan 0.000 0.447 324 T N -0.399 114.222 114.554 0.112 0.000 2.777 324 T HA -0.096 4.254 4.350 0.000 0.000 0.266 324 T C 2.002 176.821 174.700 0.198 0.000 1.040 324 T CA 1.857 64.028 62.100 0.118 0.000 1.141 324 T CB -0.496 68.406 68.868 0.056 0.000 0.868 324 T HN 0.589 nan 8.240 nan 0.000 0.444 325 T N 1.598 116.254 114.554 0.170 0.000 2.737 325 T HA 0.006 4.356 4.350 0.000 0.000 0.265 325 T C 1.594 176.348 174.700 0.089 0.000 1.038 325 T CA 0.921 63.086 62.100 0.108 0.000 1.144 325 T CB -0.573 68.291 68.868 -0.006 0.000 0.866 325 T HN 0.293 nan 8.240 nan 0.000 0.434 326 F N 1.813 121.821 119.950 0.096 0.000 2.202 326 F HA -0.060 4.467 4.527 0.000 0.000 0.301 326 F C 2.617 178.438 175.800 0.036 0.000 1.082 326 F CA 0.722 58.768 58.000 0.076 0.000 1.313 326 F CB -0.575 38.466 39.000 0.068 0.000 1.024 326 F HN 0.132 nan 8.300 nan 0.000 0.495 327 A N -0.984 121.934 122.820 0.164 0.000 2.032 327 A HA -0.235 4.085 4.320 0.000 0.000 0.221 327 A C 1.820 179.293 177.584 -0.186 0.000 1.165 327 A CA 1.958 53.972 52.037 -0.039 0.000 0.645 327 A CB -0.830 18.087 19.000 -0.138 0.000 0.807 327 A HN 0.508 nan 8.150 nan 0.000 0.453 328 H N -1.574 117.506 119.070 0.015 0.000 2.654 328 H HA 0.283 4.839 4.556 0.000 0.000 0.264 328 H C 0.133 175.430 175.328 -0.052 0.000 0.954 328 H CA -0.114 55.918 56.048 -0.027 0.000 1.199 328 H CB 0.085 29.814 29.762 -0.055 0.000 1.446 328 H HN 0.320 nan 8.280 nan 0.000 0.516 329 L N 2.137 123.381 121.223 0.035 0.000 2.410 329 L HA 0.012 4.352 4.340 0.000 0.000 0.273 329 L C 0.874 177.752 176.870 0.013 0.000 1.152 329 L CA 0.145 54.969 54.840 -0.027 0.000 0.855 329 L CB 0.834 42.822 42.059 -0.118 0.000 1.129 329 L HN 0.108 nan 8.230 nan 0.000 0.463 330 D N 2.089 122.480 120.400 -0.014 0.000 2.392 330 D HA 0.242 4.882 4.640 0.000 0.000 0.206 330 D C 0.365 176.680 176.300 0.024 0.000 1.046 330 D CA 0.423 54.425 54.000 0.004 0.000 0.865 330 D CB 1.231 42.021 40.800 -0.017 0.000 0.969 330 D HN 0.591 nan 8.370 nan 0.000 0.509 331 A N 0.364 123.191 122.820 0.011 0.000 2.610 331 A HA 0.587 4.907 4.320 0.000 0.000 0.291 331 A C -0.838 176.792 177.584 0.077 0.000 1.086 331 A CA -0.595 51.476 52.037 0.056 0.000 0.677 331 A CB 1.635 20.680 19.000 0.074 0.000 1.278 331 A HN -0.024 nan 8.150 nan 0.000 0.414 332 T N -1.358 113.282 114.554 0.143 0.000 2.886 332 T HA 0.712 5.062 4.350 0.000 0.000 0.292 332 T C -0.710 174.124 174.700 0.223 0.000 1.012 332 T CA -0.441 61.787 62.100 0.213 0.000 0.982 332 T CB 1.545 70.541 68.868 0.213 0.000 1.018 332 T HN 0.639 nan 8.240 nan 0.000 0.451 333 T N 2.921 117.643 114.554 0.279 0.000 2.788 333 T HA 0.499 4.849 4.350 0.000 0.000 0.296 333 T C -0.240 174.634 174.700 0.289 0.000 1.009 333 T CA -0.535 61.733 62.100 0.280 0.000 0.949 333 T CB 0.831 69.900 68.868 0.336 0.000 0.946 333 T HN 0.646 nan 8.240 nan 0.000 0.453 334 V N 5.950 125.981 119.914 0.194 0.000 2.318 334 V HA 0.353 4.473 4.120 0.000 0.000 0.271 334 V C 0.142 176.327 176.094 0.151 0.000 1.030 334 V CA -0.757 61.644 62.300 0.168 0.000 0.844 334 V CB 0.548 32.383 31.823 0.021 0.000 1.015 334 V HN 0.753 nan 8.190 nan 0.000 0.460 335 L N 3.999 125.332 121.223 0.183 0.000 2.350 335 L HA 0.582 4.922 4.340 0.000 0.000 0.275 335 L C 0.456 177.401 176.870 0.125 0.000 1.099 335 L CA 0.349 55.281 54.840 0.152 0.000 0.808 335 L CB 1.564 43.723 42.059 0.168 0.000 1.149 335 L HN 0.673 nan 8.230 nan 0.000 0.442 336 S N 1.970 117.728 115.700 0.097 0.000 2.571 336 S HA 0.346 4.816 4.470 0.000 0.000 0.284 336 S C 0.555 175.194 174.600 0.064 0.000 1.128 336 S CA -0.814 57.428 58.200 0.071 0.000 0.970 336 S CB 1.729 64.956 63.200 0.046 0.000 1.039 336 S HN 0.722 nan 8.310 nan 0.000 0.485 337 R N 3.438 123.975 120.500 0.061 0.000 2.096 337 R HA -0.018 4.322 4.340 0.000 0.000 0.235 337 R C 2.107 178.428 176.300 0.035 0.000 1.127 337 R CA 1.917 58.051 56.100 0.057 0.000 0.968 337 R CB -0.701 29.631 30.300 0.054 0.000 0.861 337 R HN 0.768 nan 8.270 nan 0.000 0.440 338 A N 1.397 124.230 122.820 0.022 0.000 1.908 338 A HA -0.164 4.156 4.320 0.000 0.000 0.218 338 A C 2.074 179.653 177.584 -0.009 0.000 1.181 338 A CA 1.456 53.496 52.037 0.006 0.000 0.627 338 A CB -0.466 18.535 19.000 0.002 0.000 0.818 338 A HN 0.316 nan 8.150 nan 0.000 0.445 339 I N -0.281 120.284 120.570 -0.008 0.000 2.315 339 I HA -0.193 3.977 4.170 0.000 0.000 0.248 339 I C 2.888 178.944 176.117 -0.102 0.000 1.117 339 I CA 1.402 62.680 61.300 -0.036 0.000 1.404 339 I CB -1.582 36.410 38.000 -0.015 0.000 1.071 339 I HN 0.369 nan 8.210 nan 0.000 0.419 340 A N 0.506 123.288 122.820 -0.063 0.000 1.930 340 A HA -0.179 4.141 4.320 0.000 0.000 0.217 340 A C 2.177 179.707 177.584 -0.090 0.000 1.175 340 A CA 1.233 53.209 52.037 -0.102 0.000 0.627 340 A CB -0.573 18.520 19.000 0.155 0.000 0.815 340 A HN 0.435 nan 8.150 nan 0.000 0.443 341 E N -0.415 119.772 120.200 -0.022 0.000 2.338 341 E HA -0.021 4.329 4.350 0.000 0.000 0.197 341 E C 1.237 177.814 176.600 -0.038 0.000 1.007 341 E CA 0.411 56.808 56.400 -0.005 0.000 0.849 341 E CB -0.149 29.556 29.700 0.008 0.000 0.774 341 E HN 0.609 nan 8.360 nan 0.000 0.506 342 L N -0.640 120.535 121.223 -0.079 0.000 2.591 342 L HA 0.146 4.486 4.340 0.000 0.000 0.228 342 L C 1.352 178.141 176.870 -0.134 0.000 1.133 342 L CA 0.265 55.053 54.840 -0.087 0.000 0.880 342 L CB 0.086 42.106 42.059 -0.065 0.000 1.033 342 L HN 0.269 nan 8.230 nan 0.000 0.450 343 G N 0.525 109.196 108.800 -0.215 0.000 2.168 343 G HA2 -0.261 3.699 3.960 0.000 0.000 0.263 343 G HA3 -0.261 3.699 3.960 0.000 0.000 0.263 343 G C 0.313 174.960 174.900 -0.422 0.000 0.977 343 G CA -0.263 44.675 45.100 -0.271 0.000 0.659 343 G HN 0.182 nan 8.290 nan 0.000 0.533 344 I N 0.998 121.308 120.570 -0.434 0.000 2.379 344 I HA 0.393 4.563 4.170 0.000 0.000 0.290 344 I C -0.076 175.710 176.117 -0.552 0.000 1.063 344 I CA -0.582 60.552 61.300 -0.277 0.000 1.351 344 I CB -0.402 37.538 38.000 -0.099 0.000 1.410 344 I HN 0.062 nan 8.210 nan 0.000 0.505 345 Y N 7.179 127.459 120.300 -0.032 0.000 2.425 345 Y HA 0.440 4.990 4.550 0.000 0.000 0.344 345 Y C -2.100 173.620 175.900 -0.301 0.000 0.969 345 Y CA -3.088 54.923 58.100 -0.149 0.000 1.052 345 Y CB 1.522 39.878 38.460 -0.173 0.000 1.215 345 Y HN 0.417 nan 8.280 nan 0.000 0.451 346 P HA 0.066 nan 4.420 nan 0.000 0.269 346 P C -0.160 177.193 177.300 0.089 0.000 1.209 346 P CA -0.105 63.006 63.100 0.020 0.000 0.776 346 P CB 0.992 32.768 31.700 0.127 0.000 0.876 347 A N 3.175 126.090 122.820 0.159 0.000 2.604 347 A HA 0.177 4.497 4.320 0.000 0.000 0.248 347 A C 0.526 178.162 177.584 0.087 0.000 1.466 347 A CA -0.183 51.910 52.037 0.093 0.000 1.222 347 A CB -1.248 17.837 19.000 0.142 0.000 0.945 347 A HN 0.367 nan 8.150 nan 0.000 0.600 348 V N 1.281 121.246 119.914 0.085 0.000 2.488 348 V HA 0.056 4.176 4.120 0.000 0.000 0.277 348 V C 0.409 176.536 176.094 0.055 0.000 1.046 348 V CA -0.640 61.713 62.300 0.089 0.000 0.986 348 V CB 1.166 33.049 31.823 0.100 0.000 0.989 348 V HN 0.568 nan 8.190 nan 0.000 0.475 349 D N 8.177 128.608 120.400 0.051 0.000 2.338 349 D HA 0.125 4.765 4.640 0.000 0.000 0.255 349 D C -1.302 175.010 176.300 0.020 0.000 1.237 349 D CA -1.705 52.312 54.000 0.028 0.000 0.883 349 D CB 1.920 42.731 40.800 0.018 0.000 1.087 349 D HN 0.286 nan 8.370 nan 0.000 0.485 350 P HA -0.049 nan 4.420 nan 0.000 0.229 350 P C 1.409 178.701 177.300 -0.013 0.000 1.160 350 P CA 0.556 63.653 63.100 -0.005 0.000 0.777 350 P CB 0.549 32.242 31.700 -0.010 0.000 0.814 351 L N -1.228 119.989 121.223 -0.010 0.000 2.470 351 L HA 0.144 4.484 4.340 0.000 0.000 0.219 351 L C 1.983 178.839 176.870 -0.023 0.000 1.071 351 L CA 0.772 55.602 54.840 -0.017 0.000 0.850 351 L CB -0.501 41.548 42.059 -0.015 0.000 1.040 351 L HN -0.128 nan 8.230 nan 0.000 0.475 352 D N -0.405 119.981 120.400 -0.023 0.000 2.249 352 D HA -0.013 4.627 4.640 0.000 0.000 0.205 352 D C 0.619 176.893 176.300 -0.043 0.000 0.962 352 D CA 0.272 54.245 54.000 -0.044 0.000 0.860 352 D CB 0.468 41.237 40.800 -0.052 0.000 0.955 352 D HN 0.046 nan 8.370 nan 0.000 0.505 353 S N -0.028 115.669 115.700 -0.005 0.000 2.545 353 S HA 0.413 4.883 4.470 0.000 0.000 0.275 353 S C 0.144 174.763 174.600 0.031 0.000 1.299 353 S CA -0.501 57.717 58.200 0.029 0.000 1.048 353 S CB 1.350 64.591 63.200 0.069 0.000 0.938 353 S HN 0.286 nan 8.310 nan 0.000 0.496 354 T N -0.726 113.859 114.554 0.052 0.000 2.896 354 T HA 0.769 5.119 4.350 0.000 0.000 0.297 354 T C -0.702 174.046 174.700 0.080 0.000 1.108 354 T CA -0.871 61.260 62.100 0.051 0.000 1.004 354 T CB 1.856 70.747 68.868 0.038 0.000 1.159 354 T HN 0.422 nan 8.240 nan 0.000 0.499 355 S N -0.521 115.219 115.700 0.068 0.000 2.572 355 S HA 0.393 4.863 4.470 0.000 0.000 0.274 355 S C 0.773 175.407 174.600 0.057 0.000 1.150 355 S CA -0.847 57.398 58.200 0.075 0.000 0.944 355 S CB 1.590 64.840 63.200 0.082 0.000 1.071 355 S HN 0.776 nan 8.310 nan 0.000 0.479 356 R N 2.228 122.759 120.500 0.053 0.000 2.152 356 R HA -0.024 4.316 4.340 0.000 0.000 0.232 356 R C 1.702 178.020 176.300 0.030 0.000 1.117 356 R CA 1.969 58.093 56.100 0.040 0.000 0.981 356 R CB -0.515 29.805 30.300 0.033 0.000 0.870 356 R HN 0.839 nan 8.270 nan 0.000 0.451 357 I N -2.849 117.737 120.570 0.027 0.000 3.793 357 I HA 0.119 4.289 4.170 0.000 0.000 0.315 357 I C 0.570 176.685 176.117 -0.002 0.000 1.275 357 I CA -0.091 61.215 61.300 0.009 0.000 1.214 357 I CB 0.148 38.152 38.000 0.007 0.000 1.018 357 I HN -0.089 nan 8.210 nan 0.000 0.439 358 M N 3.430 123.042 119.600 0.020 0.000 3.282 358 M HA 0.188 4.668 4.480 0.000 0.000 0.242 358 M C -0.733 175.674 176.300 0.177 0.000 1.568 358 M CA 0.717 56.047 55.300 0.050 0.000 1.668 358 M CB -1.657 30.970 32.600 0.045 0.000 1.236 358 M HN 0.341 nan 8.290 nan 0.000 0.527 359 D N 3.936 124.394 120.400 0.097 0.000 2.977 359 D HA 0.338 4.978 4.640 0.000 0.000 0.220 359 D C -2.343 173.848 176.300 -0.181 0.000 1.267 359 D CA -1.196 52.760 54.000 -0.073 0.000 0.884 359 D CB 2.698 43.458 40.800 -0.066 0.000 1.667 359 D HN 0.087 nan 8.370 nan 0.000 0.536 360 P HA -0.072 nan 4.420 nan 0.000 0.220 360 P C 0.536 177.750 177.300 -0.144 0.000 1.148 360 P CA 0.988 63.906 63.100 -0.304 0.000 0.803 360 P CB 0.362 31.786 31.700 -0.460 0.000 0.782 361 N N -0.951 117.661 118.700 -0.147 0.000 2.550 361 N HA 0.042 4.782 4.740 0.000 0.000 0.186 361 N C 1.576 177.056 175.510 -0.051 0.000 1.110 361 N CA 0.444 53.444 53.050 -0.083 0.000 0.912 361 N CB -0.213 38.227 38.487 -0.080 0.000 0.968 361 N HN 0.226 nan 8.380 nan 0.000 0.448 362 I N -1.318 119.223 120.570 -0.049 0.000 3.570 362 I HA -0.015 4.155 4.170 0.000 0.000 0.270 362 I C 1.546 177.657 176.117 -0.011 0.000 1.162 362 I CA 0.209 61.493 61.300 -0.026 0.000 1.413 362 I CB 0.263 38.248 38.000 -0.025 0.000 1.437 362 I HN -0.021 nan 8.210 nan 0.000 0.457 363 V N -1.165 118.736 119.914 -0.022 0.000 3.647 363 V HA 0.615 4.735 4.120 0.000 0.000 0.279 363 V C 0.767 176.903 176.094 0.071 0.000 1.314 363 V CA 0.198 62.495 62.300 -0.005 0.000 1.125 363 V CB -0.843 30.866 31.823 -0.191 0.000 0.907 363 V HN 0.478 nan 8.190 nan 0.000 0.434 364 G N -0.006 108.824 108.800 0.049 0.000 2.675 364 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 364 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 364 G C 0.207 175.171 174.900 0.107 0.000 1.215 364 G CA 0.034 45.178 45.100 0.074 0.000 0.777 364 G HN 0.499 nan 8.290 nan 0.000 0.638 365 S N -0.582 115.167 115.700 0.083 0.000 2.399 365 S HA -0.082 4.388 4.470 0.000 0.000 0.231 365 S C 1.942 176.651 174.600 0.181 0.000 1.022 365 S CA 2.098 60.365 58.200 0.111 0.000 0.983 365 S CB -0.160 63.078 63.200 0.064 0.000 0.803 365 S HN 0.677 nan 8.310 nan 0.000 0.480 366 E N -0.235 120.058 120.200 0.154 0.000 2.028 366 E HA -0.203 4.147 4.350 0.000 0.000 0.191 366 E C 1.925 178.647 176.600 0.203 0.000 0.988 366 E CA 1.173 57.663 56.400 0.150 0.000 0.799 366 E CB -0.339 29.428 29.700 0.111 0.000 0.755 366 E HN 0.773 nan 8.360 nan 0.000 0.447 367 H N -1.291 117.842 119.070 0.104 0.000 2.319 367 H HA -0.239 4.317 4.556 0.000 0.000 0.297 367 H C 2.144 177.533 175.328 0.101 0.000 1.097 367 H CA 1.810 57.915 56.048 0.095 0.000 1.285 367 H CB -0.116 29.701 29.762 0.092 0.000 1.368 367 H HN 0.267 nan 8.280 nan 0.000 0.495 368 Y N 1.450 121.842 120.300 0.154 0.000 2.181 368 Y HA -0.235 4.315 4.550 0.000 0.000 0.288 368 Y C 1.972 177.914 175.900 0.070 0.000 1.146 368 Y CA 1.967 60.099 58.100 0.053 0.000 1.164 368 Y CB -0.227 38.239 38.460 0.009 0.000 0.982 368 Y HN 0.326 nan 8.280 nan 0.000 0.515 369 D N -0.862 119.625 120.400 0.145 0.000 2.183 369 D HA -0.129 4.511 4.640 0.000 0.000 0.203 369 D C 2.316 178.619 176.300 0.005 0.000 0.969 369 D CA 1.325 55.357 54.000 0.054 0.000 0.842 369 D CB -0.143 40.728 40.800 0.118 0.000 0.957 369 D HN 0.321 nan 8.370 nan 0.000 0.484 370 V N 1.207 121.152 119.914 0.051 0.000 2.407 370 V HA -0.119 4.001 4.120 0.000 0.000 0.245 370 V C 2.505 178.597 176.094 -0.003 0.000 1.041 370 V CA 1.471 63.800 62.300 0.049 0.000 1.040 370 V CB -0.649 31.227 31.823 0.088 0.000 0.671 370 V HN 0.136 nan 8.190 nan 0.000 0.455 371 A N 0.288 123.104 122.820 -0.006 0.000 1.858 371 A HA -0.203 4.118 4.320 0.000 0.000 0.216 371 A C 2.355 179.850 177.584 -0.150 0.000 1.190 371 A CA 1.565 53.560 52.037 -0.069 0.000 0.617 371 A CB -0.501 18.488 19.000 -0.019 0.000 0.827 371 A HN 0.383 nan 8.150 nan 0.000 0.443 372 R N -0.645 119.703 120.500 -0.255 0.000 2.152 372 R HA -0.114 4.226 4.340 0.000 0.000 0.232 372 R C 2.265 178.486 176.300 -0.130 0.000 1.117 372 R CA 1.200 57.144 56.100 -0.259 0.000 0.981 372 R CB -1.044 29.002 30.300 -0.424 0.000 0.870 372 R HN 0.567 nan 8.270 nan 0.000 0.451 373 G N 0.124 108.872 108.800 -0.087 0.000 2.403 373 G HA2 -0.144 3.816 3.960 0.000 0.000 0.216 373 G HA3 -0.144 3.816 3.960 0.000 0.000 0.216 373 G C 1.521 176.407 174.900 -0.023 0.000 1.154 373 G CA 0.355 45.435 45.100 -0.034 0.000 0.784 373 G HN 0.142 nan 8.290 nan 0.000 0.538 374 V N 0.280 120.170 119.914 -0.040 0.000 2.379 374 V HA -0.177 3.943 4.120 0.000 0.000 0.245 374 V C 2.843 178.911 176.094 -0.044 0.000 1.044 374 V CA 1.940 64.216 62.300 -0.040 0.000 1.036 374 V CB -0.490 31.256 31.823 -0.127 0.000 0.664 374 V HN 0.375 nan 8.190 nan 0.000 0.453 375 Q N -0.044 119.717 119.800 -0.065 0.000 2.061 375 Q HA -0.295 4.045 4.340 0.000 0.000 0.204 375 Q C 2.296 178.281 176.000 -0.026 0.000 0.984 375 Q CA 2.149 57.922 55.803 -0.050 0.000 0.846 375 Q CB -0.246 28.450 28.738 -0.070 0.000 0.902 375 Q HN 0.506 nan 8.270 nan 0.000 0.421 376 K N 1.170 121.553 120.400 -0.029 0.000 2.009 376 K HA -0.169 4.151 4.320 0.000 0.000 0.210 376 K C 1.734 178.340 176.600 0.010 0.000 1.049 376 K CA 1.422 57.702 56.287 -0.012 0.000 0.929 376 K CB -0.508 31.983 32.500 -0.015 0.000 0.714 376 K HN 0.215 nan 8.250 nan 0.000 0.440 377 I N 0.260 120.837 120.570 0.012 0.000 2.286 377 I HA -0.248 3.922 4.170 0.000 0.000 0.248 377 I C 1.797 177.954 176.117 0.066 0.000 1.115 377 I CA 1.095 62.411 61.300 0.028 0.000 1.392 377 I CB 0.051 38.057 38.000 0.010 0.000 1.065 377 I HN 0.235 nan 8.210 nan 0.000 0.418 378 L N -0.233 121.028 121.223 0.063 0.000 2.056 378 L HA -0.238 4.102 4.340 0.000 0.000 0.207 378 L C 2.548 179.477 176.870 0.097 0.000 1.078 378 L CA 1.347 56.252 54.840 0.108 0.000 0.749 378 L CB -0.716 41.382 42.059 0.066 0.000 0.901 378 L HN 0.277 nan 8.230 nan 0.000 0.433 379 Q N -0.017 119.810 119.800 0.045 0.000 2.061 379 Q HA -0.237 4.103 4.340 0.000 0.000 0.204 379 Q C 1.893 177.913 176.000 0.034 0.000 0.984 379 Q CA 1.830 57.647 55.803 0.023 0.000 0.846 379 Q CB -0.119 28.622 28.738 0.006 0.000 0.902 379 Q HN 0.438 nan 8.270 nan 0.000 0.421 380 D N -0.521 119.910 120.400 0.052 0.000 2.178 380 D HA -0.168 4.472 4.640 0.000 0.000 0.201 380 D C 1.585 177.949 176.300 0.108 0.000 0.980 380 D CA 0.921 54.957 54.000 0.060 0.000 0.842 380 D CB -0.189 40.643 40.800 0.053 0.000 0.948 380 D HN 0.263 nan 8.370 nan 0.000 0.472 381 Y N 1.822 122.114 120.300 -0.012 0.000 2.242 381 Y HA -0.077 4.473 4.550 0.000 0.000 0.291 381 Y C 1.948 177.840 175.900 -0.012 0.000 1.137 381 Y CA 1.121 59.214 58.100 -0.012 0.000 1.181 381 Y CB -0.034 38.419 38.460 -0.012 0.000 0.989 381 Y HN -0.171 nan 8.280 nan 0.000 0.527 382 K N -0.659 119.670 120.400 -0.119 0.000 2.097 382 K HA -0.131 4.189 4.320 0.000 0.000 0.206 382 K C 2.258 178.777 176.600 -0.134 0.000 1.049 382 K CA 1.453 57.626 56.287 -0.190 0.000 0.933 382 K CB -0.201 32.241 32.500 -0.098 0.000 0.717 382 K HN 0.169 nan 8.250 nan 0.000 0.442 383 S N 1.199 116.862 115.700 -0.062 0.000 2.419 383 S HA -0.031 4.439 4.470 0.000 0.000 0.233 383 S C 1.732 176.308 174.600 -0.039 0.000 1.016 383 S CA 0.867 59.044 58.200 -0.039 0.000 0.974 383 S CB -0.025 63.168 63.200 -0.011 0.000 0.786 383 S HN 0.218 nan 8.310 nan 0.000 0.492 384 L N 0.642 121.843 121.223 -0.037 0.000 2.375 384 L HA 0.078 4.418 4.340 0.000 0.000 0.215 384 L C 2.371 179.207 176.870 -0.056 0.000 1.108 384 L CA 0.466 55.298 54.840 -0.013 0.000 0.830 384 L CB -0.333 41.766 42.059 0.066 0.000 0.959 384 L HN 0.272 nan 8.230 nan 0.000 0.457 385 Q N 0.240 119.949 119.800 -0.152 0.000 2.226 385 Q HA -0.220 4.120 4.340 0.000 0.000 0.204 385 Q C 1.410 177.352 176.000 -0.095 0.000 0.975 385 Q CA 1.636 57.334 55.803 -0.175 0.000 0.866 385 Q CB 0.004 28.563 28.738 -0.299 0.000 0.915 385 Q HN 0.473 nan 8.270 nan 0.000 0.440 386 D N 0.242 120.597 120.400 -0.076 0.000 2.144 386 D HA -0.112 4.528 4.640 0.000 0.000 0.200 386 D C 1.508 177.789 176.300 -0.032 0.000 0.978 386 D CA 0.938 54.909 54.000 -0.049 0.000 0.833 386 D CB 0.057 40.832 40.800 -0.042 0.000 0.961 386 D HN 0.218 nan 8.370 nan 0.000 0.470 387 I N 0.524 121.078 120.570 -0.026 0.000 2.546 387 I HA -0.162 4.008 4.170 0.000 0.000 0.255 387 I C 1.654 177.767 176.117 -0.006 0.000 1.163 387 I CA 0.369 61.663 61.300 -0.012 0.000 1.457 387 I CB -0.107 37.891 38.000 -0.004 0.000 1.092 387 I HN 0.050 nan 8.210 nan 0.000 0.434 388 I N 1.295 121.861 120.570 -0.007 0.000 2.252 388 I HA -0.174 3.996 4.170 0.000 0.000 0.245 388 I C 2.770 178.884 176.117 -0.005 0.000 1.102 388 I CA 1.380 62.681 61.300 0.002 0.000 1.385 388 I CB -1.582 36.425 38.000 0.012 0.000 1.064 388 I HN 0.150 nan 8.210 nan 0.000 0.414 389 A N 0.391 123.201 122.820 -0.016 0.000 2.121 389 A HA -0.056 4.264 4.320 0.000 0.000 0.218 389 A C 2.124 179.702 177.584 -0.011 0.000 1.154 389 A CA 1.083 53.111 52.037 -0.015 0.000 0.679 389 A CB -0.242 18.744 19.000 -0.024 0.000 0.795 389 A HN 0.281 nan 8.150 nan 0.000 0.458 390 I N -1.909 118.655 120.570 -0.009 0.000 3.132 390 I HA 0.133 4.303 4.170 0.000 0.000 0.255 390 I C 2.079 178.194 176.117 -0.003 0.000 1.118 390 I CA 0.754 62.050 61.300 -0.007 0.000 1.463 390 I CB -1.045 36.950 38.000 -0.009 0.000 1.356 390 I HN 0.209 nan 8.210 nan 0.000 0.463 391 L N 0.025 121.247 121.223 -0.002 0.000 2.408 391 L HA 0.371 4.711 4.340 0.000 0.000 0.215 391 L C 0.825 177.697 176.870 0.004 0.000 1.081 391 L CA 0.550 55.391 54.840 0.001 0.000 0.840 391 L CB 0.137 42.197 42.059 0.002 0.000 1.002 391 L HN 0.452 nan 8.230 nan 0.000 0.468 392 G N -0.784 108.019 108.800 0.005 0.000 2.663 392 G HA2 -0.237 3.723 3.960 0.000 0.000 0.686 392 G HA3 -0.237 3.723 3.960 0.000 0.000 0.686 392 G C -0.036 174.872 174.900 0.014 0.000 1.246 392 G CA -0.244 44.862 45.100 0.009 0.000 0.795 392 G HN -0.049 nan 8.290 nan 0.000 0.627 393 M N -0.148 119.462 119.600 0.017 0.000 2.562 393 M HA 0.058 4.538 4.480 0.000 0.000 0.257 393 M C 1.276 177.586 176.300 0.017 0.000 1.099 393 M CA 1.249 56.563 55.300 0.023 0.000 1.099 393 M CB 0.006 32.623 32.600 0.029 0.000 1.427 393 M HN 0.521 nan 8.290 nan 0.000 0.489 394 D N 0.009 120.417 120.400 0.012 0.000 2.328 394 D HA -0.010 4.630 4.640 0.000 0.000 0.221 394 D C 0.841 177.146 176.300 0.009 0.000 1.072 394 D CA 0.430 54.435 54.000 0.010 0.000 0.850 394 D CB 0.298 41.103 40.800 0.008 0.000 0.922 394 D HN 0.144 nan 8.370 nan 0.000 0.516 395 E N 0.160 120.366 120.200 0.010 0.000 2.558 395 E HA 0.172 4.522 4.350 0.000 0.000 0.205 395 E C -0.106 176.500 176.600 0.010 0.000 1.006 395 E CA -0.101 56.304 56.400 0.008 0.000 0.961 395 E CB 0.789 30.493 29.700 0.007 0.000 1.044 395 E HN 0.324 nan 8.360 nan 0.000 0.465 396 L N 1.618 122.848 121.223 0.012 0.000 2.325 396 L HA 0.235 4.575 4.340 0.000 0.000 0.279 396 L C 0.898 177.775 176.870 0.011 0.000 1.054 396 L CA -0.700 54.149 54.840 0.014 0.000 0.804 396 L CB 1.277 43.349 42.059 0.021 0.000 1.200 396 L HN -0.047 nan 8.230 nan 0.000 0.436 397 S N 0.683 116.390 115.700 0.010 0.000 2.566 397 S HA 0.001 4.471 4.470 0.000 0.000 0.280 397 S C 0.868 175.473 174.600 0.007 0.000 1.343 397 S CA -0.574 57.631 58.200 0.007 0.000 1.036 397 S CB 0.770 63.974 63.200 0.007 0.000 0.866 397 S HN 0.601 nan 8.310 nan 0.000 0.526 398 E N 0.802 121.004 120.200 0.004 0.000 2.333 398 E HA -0.154 4.196 4.350 0.000 0.000 0.198 398 E C 1.641 178.242 176.600 0.001 0.000 1.007 398 E CA 0.949 57.351 56.400 0.003 0.000 0.845 398 E CB -0.180 29.521 29.700 0.002 0.000 0.766 398 E HN 0.918 nan 8.360 nan 0.000 0.507 399 E N 0.557 120.758 120.200 0.003 0.000 2.122 399 E HA -0.128 4.222 4.350 0.000 0.000 0.190 399 E C 0.887 177.489 176.600 0.004 0.000 0.977 399 E CA 0.651 57.053 56.400 0.002 0.000 0.820 399 E CB 0.277 29.979 29.700 0.003 0.000 0.770 399 E HN 0.052 nan 8.360 nan 0.000 0.462 400 D N 0.624 121.030 120.400 0.010 0.000 2.149 400 D HA -0.075 4.565 4.640 0.000 0.000 0.201 400 D C 1.690 178.001 176.300 0.018 0.000 0.972 400 D CA 0.776 54.788 54.000 0.019 0.000 0.835 400 D CB 0.026 40.840 40.800 0.024 0.000 0.966 400 D HN 0.081 nan 8.370 nan 0.000 0.476 401 K N -0.020 120.386 120.400 0.010 0.000 2.063 401 K HA -0.135 4.185 4.320 0.000 0.000 0.208 401 K C 1.844 178.436 176.600 -0.014 0.000 1.048 401 K CA 0.643 56.932 56.287 0.003 0.000 0.928 401 K CB -0.139 32.362 32.500 0.002 0.000 0.713 401 K HN 0.060 nan 8.250 nan 0.000 0.442 402 L N 0.893 122.107 121.223 -0.015 0.000 2.156 402 L HA -0.118 4.222 4.340 0.000 0.000 0.208 402 L C 2.088 178.929 176.870 -0.048 0.000 1.095 402 L CA 1.755 56.578 54.840 -0.029 0.000 0.770 402 L CB -0.571 41.477 42.059 -0.019 0.000 0.914 402 L HN 0.158 nan 8.230 nan 0.000 0.439 403 T N -1.665 112.869 114.554 -0.034 0.000 2.746 403 T HA -0.149 4.201 4.350 0.000 0.000 0.267 403 T C 1.982 176.615 174.700 -0.112 0.000 1.039 403 T CA 1.538 63.614 62.100 -0.040 0.000 1.142 403 T CB -0.286 68.588 68.868 0.010 0.000 0.866 403 T HN 0.121 nan 8.240 nan 0.000 0.444 404 V N 1.399 121.249 119.914 -0.105 0.000 2.358 404 V HA -0.144 3.976 4.120 0.000 0.000 0.246 404 V C 2.730 178.631 176.094 -0.321 0.000 1.047 404 V CA 1.644 63.791 62.300 -0.255 0.000 1.035 404 V CB -0.801 31.007 31.823 -0.025 0.000 0.658 404 V HN 0.424 nan 8.190 nan 0.000 0.452 405 S N -0.229 115.367 115.700 -0.173 0.000 2.365 405 S HA -0.249 4.221 4.470 0.000 0.000 0.225 405 S C 2.128 176.604 174.600 -0.207 0.000 1.039 405 S CA 1.886 59.993 58.200 -0.154 0.000 1.033 405 S CB -0.299 62.847 63.200 -0.089 0.000 0.887 405 S HN 0.536 nan 8.310 nan 0.000 0.447 406 R N 0.876 121.261 120.500 -0.192 0.000 2.075 406 R HA 0.138 4.478 4.340 0.000 0.000 0.226 406 R C 2.659 178.826 176.300 -0.222 0.000 1.114 406 R CA 1.024 57.006 56.100 -0.198 0.000 0.972 406 R CB -0.512 29.714 30.300 -0.123 0.000 0.869 406 R HN 0.383 nan 8.270 nan 0.000 0.437 407 A N 1.405 124.071 122.820 -0.256 0.000 1.883 407 A HA -0.205 4.115 4.320 0.000 0.000 0.217 407 A C 2.082 179.484 177.584 -0.303 0.000 1.186 407 A CA 1.433 53.306 52.037 -0.273 0.000 0.624 407 A CB -0.413 18.348 19.000 -0.398 0.000 0.822 407 A HN 0.212 nan 8.150 nan 0.000 0.444 408 R N -0.489 119.747 120.500 -0.441 0.000 2.096 408 R HA -0.092 4.248 4.340 0.000 0.000 0.235 408 R C 2.201 178.399 176.300 -0.169 0.000 1.127 408 R CA 1.629 57.559 56.100 -0.283 0.000 0.968 408 R CB -0.221 29.915 30.300 -0.273 0.000 0.861 408 R HN 0.524 nan 8.270 nan 0.000 0.440 409 K N 0.345 120.585 120.400 -0.266 0.000 2.062 409 K HA -0.050 4.270 4.320 0.000 0.000 0.205 409 K C 2.019 178.437 176.600 -0.303 0.000 1.051 409 K CA 1.083 57.107 56.287 -0.439 0.000 0.941 409 K CB -0.047 31.908 32.500 -0.908 0.000 0.719 409 K HN 0.104 nan 8.250 nan 0.000 0.440 410 I N 1.503 121.975 120.570 -0.162 0.000 2.226 410 I HA -0.325 3.846 4.170 0.000 0.000 0.245 410 I C 2.435 178.698 176.117 0.243 0.000 1.100 410 I CA 1.373 62.754 61.300 0.136 0.000 1.374 410 I CB -0.212 37.892 38.000 0.174 0.000 1.057 410 I HN 0.230 nan 8.210 nan 0.000 0.413 411 Q N 0.200 120.064 119.800 0.108 0.000 2.112 411 Q HA -0.262 4.078 4.340 0.000 0.000 0.206 411 Q C 2.387 178.485 176.000 0.165 0.000 0.987 411 Q CA 1.714 57.590 55.803 0.122 0.000 0.858 411 Q CB -0.155 28.631 28.738 0.081 0.000 0.905 411 Q HN 0.446 nan 8.270 nan 0.000 0.420 412 R N -0.745 119.859 120.500 0.174 0.000 2.093 412 R HA -0.065 4.275 4.340 0.000 0.000 0.224 412 R C 1.818 178.308 176.300 0.316 0.000 1.101 412 R CA 0.752 57.014 56.100 0.270 0.000 0.979 412 R CB -0.097 30.375 30.300 0.287 0.000 0.877 412 R HN 0.155 nan 8.270 nan 0.000 0.441 413 F N 0.754 120.779 119.950 0.125 0.000 2.604 413 F HA 0.034 4.561 4.527 0.000 0.000 0.298 413 F C 1.365 177.294 175.800 0.215 0.000 1.131 413 F CA 0.759 58.798 58.000 0.065 0.000 1.457 413 F CB 0.122 39.001 39.000 -0.202 0.000 1.095 413 F HN -0.060 nan 8.300 nan 0.000 0.574 414 L N -0.588 120.828 121.223 0.322 0.000 2.240 414 L HA -0.056 4.284 4.340 0.000 0.000 0.211 414 L C 1.647 178.545 176.870 0.046 0.000 1.106 414 L CA 0.529 55.506 54.840 0.229 0.000 0.793 414 L CB -0.725 41.438 42.059 0.173 0.000 0.927 414 L HN 0.135 nan 8.230 nan 0.000 0.446 415 S N -0.253 115.463 115.700 0.026 0.000 2.600 415 S HA 0.311 4.781 4.470 0.000 0.000 0.265 415 S C -0.293 174.214 174.600 -0.156 0.000 1.325 415 S CA -0.439 57.721 58.200 -0.067 0.000 1.002 415 S CB 1.656 64.822 63.200 -0.055 0.000 0.921 415 S HN 0.286 nan 8.310 nan 0.000 0.554 416 Q N 0.500 120.170 119.800 -0.218 0.000 2.518 416 Q HA 0.362 4.703 4.340 0.000 0.000 0.254 416 Q C -3.147 172.691 176.000 -0.270 0.000 0.962 416 Q CA -1.471 54.209 55.803 -0.204 0.000 0.982 416 Q CB 2.053 30.727 28.738 -0.107 0.000 1.516 416 Q HN 0.592 nan 8.270 nan 0.000 0.426 417 P HA 0.203 nan 4.420 nan 0.000 0.279 417 P C -1.044 176.325 177.300 0.115 0.000 1.239 417 P CA 0.182 63.236 63.100 -0.077 0.000 0.789 417 P CB 0.449 32.140 31.700 -0.015 0.000 0.933 418 F N 0.854 120.814 119.950 0.015 0.000 2.425 418 F HA 0.236 4.763 4.527 0.000 0.000 0.331 418 F C 2.226 178.039 175.800 0.021 0.000 1.085 418 F CA -0.755 57.254 58.000 0.015 0.000 1.028 418 F CB 2.174 41.184 39.000 0.017 0.000 1.177 418 F HN 0.371 nan 8.300 nan 0.000 0.487 419 Q N 1.303 121.217 119.800 0.190 0.000 2.119 419 Q HA -0.107 4.233 4.340 0.000 0.000 0.201 419 Q C 1.568 177.623 176.000 0.091 0.000 0.972 419 Q CA 1.398 57.259 55.803 0.096 0.000 0.847 419 Q CB 0.012 28.772 28.738 0.037 0.000 0.903 419 Q HN 0.627 nan 8.270 nan 0.000 0.433 420 V N 0.740 120.707 119.914 0.088 0.000 2.720 420 V HA -0.165 3.955 4.120 0.000 0.000 0.256 420 V C 1.682 177.862 176.094 0.143 0.000 1.082 420 V CA 1.588 63.937 62.300 0.083 0.000 1.101 420 V CB -0.328 31.516 31.823 0.035 0.000 0.693 420 V HN 0.505 nan 8.190 nan 0.000 0.479 421 A N -1.395 121.533 122.820 0.179 0.000 2.460 421 A HA 0.184 4.504 4.320 0.000 0.000 0.258 421 A C 1.709 179.385 177.584 0.155 0.000 1.300 421 A CA -0.079 52.073 52.037 0.191 0.000 0.913 421 A CB -0.236 18.846 19.000 0.137 0.000 1.031 421 A HN 0.527 nan 8.150 nan 0.000 0.512 422 E N -0.416 119.850 120.200 0.109 0.000 2.204 422 E HA -0.132 4.218 4.350 0.000 0.000 0.195 422 E C 1.645 178.249 176.600 0.008 0.000 0.990 422 E CA 1.281 57.714 56.400 0.055 0.000 0.821 422 E CB -0.040 29.684 29.700 0.040 0.000 0.750 422 E HN 0.494 nan 8.360 nan 0.000 0.477 423 V N 0.175 120.089 119.914 0.001 0.000 2.255 423 V HA -0.203 3.917 4.120 0.000 0.000 0.243 423 V C 1.809 177.805 176.094 -0.164 0.000 1.038 423 V CA 1.581 63.803 62.300 -0.130 0.000 1.008 423 V CB -0.561 31.109 31.823 -0.254 0.000 0.645 423 V HN 0.208 nan 8.190 nan 0.000 0.449 424 F N 1.367 121.286 119.950 -0.053 0.000 2.293 424 F HA -0.141 4.386 4.527 0.000 0.000 0.300 424 F C 2.534 178.281 175.800 -0.088 0.000 1.086 424 F CA 1.695 59.657 58.000 -0.063 0.000 1.375 424 F CB -0.679 38.286 39.000 -0.058 0.000 1.045 424 F HN 0.358 nan 8.300 nan 0.000 0.516 425 T N -5.013 109.574 114.554 0.055 0.000 3.038 425 T HA 0.449 4.799 4.350 0.000 0.000 0.244 425 T C 1.943 176.458 174.700 -0.308 0.000 1.016 425 T CA 0.650 62.694 62.100 -0.093 0.000 1.098 425 T CB 0.313 69.156 68.868 -0.042 0.000 0.954 425 T HN 0.321 nan 8.240 nan 0.000 0.469 426 G N 1.202 109.876 108.800 -0.211 0.000 2.217 426 G HA2 -0.208 3.752 3.960 0.000 0.000 0.246 426 G HA3 -0.208 3.752 3.960 0.000 0.000 0.246 426 G C -0.039 174.759 174.900 -0.170 0.000 0.990 426 G CA 0.161 45.130 45.100 -0.219 0.000 0.627 426 G HN 0.834 nan 8.290 nan 0.000 0.522 427 H N -0.434 118.644 119.070 0.014 0.000 2.481 427 H HA 0.609 5.165 4.556 0.000 0.000 0.339 427 H C 0.404 175.739 175.328 0.011 0.000 1.131 427 H CA -0.821 55.230 56.048 0.006 0.000 1.301 427 H CB 1.842 31.602 29.762 -0.004 0.000 1.476 427 H HN 0.226 nan 8.280 nan 0.000 0.529 428 L N 2.178 123.485 121.223 0.140 0.000 2.410 428 L HA 0.204 4.544 4.340 0.000 0.000 0.273 428 L C 0.855 177.772 176.870 0.078 0.000 1.152 428 L CA 0.029 54.916 54.840 0.079 0.000 0.855 428 L CB 0.306 42.395 42.059 0.050 0.000 1.129 428 L HN 0.801 nan 8.230 nan 0.000 0.463 429 G N 4.001 112.849 108.800 0.080 0.000 2.539 429 G HA2 0.309 4.269 3.960 0.000 0.000 0.258 429 G HA3 0.309 4.269 3.960 0.000 0.000 0.258 429 G C -0.904 174.041 174.900 0.075 0.000 1.202 429 G CA -0.553 44.608 45.100 0.103 0.000 0.851 429 G HN 0.456 nan 8.290 nan 0.000 0.556 430 K N 0.840 121.297 120.400 0.094 0.000 2.463 430 K HA 0.321 4.641 4.320 0.000 0.000 0.255 430 K C -1.432 175.204 176.600 0.060 0.000 0.942 430 K CA -0.958 55.363 56.287 0.055 0.000 0.814 430 K CB 2.327 34.842 32.500 0.025 0.000 1.122 430 K HN 0.300 nan 8.250 nan 0.000 0.425 431 L N 3.834 125.071 121.223 0.023 0.000 2.276 431 L HA 0.388 4.728 4.340 0.000 0.000 0.286 431 L C -1.137 175.731 176.870 -0.003 0.000 1.024 431 L CA -0.809 54.033 54.840 0.004 0.000 0.826 431 L CB 1.299 43.345 42.059 -0.022 0.000 1.211 431 L HN 0.296 nan 8.230 nan 0.000 0.422 432 V N 7.685 127.600 119.914 0.001 0.000 2.347 432 V HA 0.454 4.574 4.120 0.000 0.000 0.280 432 V C -1.969 174.127 176.094 0.003 0.000 1.021 432 V CA -1.569 60.732 62.300 0.001 0.000 0.847 432 V CB 1.196 33.013 31.823 -0.009 0.000 0.990 432 V HN 0.705 nan 8.190 nan 0.000 0.444 433 P HA 0.029 nan 4.420 nan 0.000 0.267 433 P C 0.776 178.086 177.300 0.017 0.000 1.200 433 P CA -0.213 62.891 63.100 0.006 0.000 0.772 433 P CB 0.708 32.412 31.700 0.007 0.000 0.855 434 L N 4.182 125.414 121.223 0.016 0.000 1.989 434 L HA -0.212 4.128 4.340 0.000 0.000 0.211 434 L C 1.932 178.799 176.870 -0.006 0.000 1.071 434 L CA 2.039 56.881 54.840 0.004 0.000 0.749 434 L CB -0.900 41.172 42.059 0.021 0.000 0.890 434 L HN 0.277 nan 8.230 nan 0.000 0.431 435 K N -0.670 119.738 120.400 0.013 0.000 2.152 435 K HA -0.205 4.115 4.320 0.000 0.000 0.206 435 K C 1.994 178.620 176.600 0.043 0.000 1.048 435 K CA 1.810 58.110 56.287 0.022 0.000 0.933 435 K CB -0.078 32.439 32.500 0.029 0.000 0.721 435 K HN 0.537 nan 8.250 nan 0.000 0.447 436 E N -0.495 119.736 120.200 0.052 0.000 2.051 436 E HA -0.091 4.260 4.350 0.000 0.000 0.189 436 E C 1.938 178.618 176.600 0.134 0.000 0.979 436 E CA 1.157 57.606 56.400 0.082 0.000 0.803 436 E CB 0.090 29.830 29.700 0.068 0.000 0.761 436 E HN 0.194 nan 8.360 nan 0.000 0.451 437 T N 1.710 116.338 114.554 0.122 0.000 2.624 437 T HA -0.221 4.129 4.350 0.000 0.000 0.268 437 T C 1.946 176.825 174.700 0.299 0.000 1.041 437 T CA 1.362 63.589 62.100 0.212 0.000 1.159 437 T CB -0.328 68.612 68.868 0.120 0.000 0.863 437 T HN 0.112 nan 8.240 nan 0.000 0.434 438 I N 0.717 121.357 120.570 0.116 0.000 2.127 438 I HA -0.232 3.938 4.170 0.000 0.000 0.241 438 I C 2.675 178.888 176.117 0.159 0.000 1.075 438 I CA 1.577 62.924 61.300 0.078 0.000 1.334 438 I CB -0.399 37.570 38.000 -0.053 0.000 1.040 438 I HN 0.213 nan 8.210 nan 0.000 0.405 439 K N 1.070 121.547 120.400 0.128 0.000 2.032 439 K HA -0.181 4.139 4.320 0.000 0.000 0.209 439 K C 2.149 178.835 176.600 0.144 0.000 1.048 439 K CA 1.769 58.128 56.287 0.120 0.000 0.927 439 K CB -0.511 32.045 32.500 0.093 0.000 0.712 439 K HN 0.397 nan 8.250 nan 0.000 0.441 440 G N 0.569 109.472 108.800 0.173 0.000 2.553 440 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 440 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 440 G C 1.300 176.187 174.900 -0.022 0.000 1.195 440 G CA 1.153 46.301 45.100 0.080 0.000 0.779 440 G HN 0.328 nan 8.290 nan 0.000 0.577 441 F N 0.544 120.630 119.950 0.227 0.000 2.325 441 F HA 0.043 4.570 4.527 0.000 0.000 0.299 441 F C 2.907 178.754 175.800 0.078 0.000 1.090 441 F CA 1.319 59.411 58.000 0.153 0.000 1.392 441 F CB -0.134 38.959 39.000 0.156 0.000 1.053 441 F HN 0.162 nan 8.300 nan 0.000 0.521 442 Q N 0.229 120.168 119.800 0.231 0.000 2.084 442 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 442 Q C 2.123 178.175 176.000 0.087 0.000 0.978 442 Q CA 1.745 57.629 55.803 0.135 0.000 0.844 442 Q CB -0.072 28.731 28.738 0.108 0.000 0.898 442 Q HN 0.503 nan 8.270 nan 0.000 0.426 443 Q N -0.239 119.614 119.800 0.089 0.000 2.083 443 Q HA -0.096 4.244 4.340 0.000 0.000 0.198 443 Q C 2.093 178.109 176.000 0.028 0.000 0.969 443 Q CA 1.151 56.980 55.803 0.044 0.000 0.838 443 Q CB 0.054 28.880 28.738 0.147 0.000 0.900 443 Q HN 0.454 nan 8.270 nan 0.000 0.436 444 I N 0.532 121.152 120.570 0.083 0.000 2.315 444 I HA -0.278 3.892 4.170 0.000 0.000 0.248 444 I C 2.106 178.217 176.117 -0.011 0.000 1.117 444 I CA 0.999 62.311 61.300 0.020 0.000 1.404 444 I CB -0.268 37.647 38.000 -0.142 0.000 1.071 444 I HN 0.195 nan 8.210 nan 0.000 0.419 445 L N 0.744 121.984 121.223 0.028 0.000 2.083 445 L HA -0.177 4.163 4.340 0.000 0.000 0.209 445 L C 2.667 179.536 176.870 -0.001 0.000 1.083 445 L CA 1.250 56.102 54.840 0.021 0.000 0.752 445 L CB -0.552 41.538 42.059 0.052 0.000 0.899 445 L HN 0.256 nan 8.230 nan 0.000 0.433 446 A N -0.528 122.287 122.820 -0.009 0.000 2.206 446 A HA 0.188 4.508 4.320 0.000 0.000 0.211 446 A C 1.652 179.207 177.584 -0.048 0.000 1.158 446 A CA 0.795 52.815 52.037 -0.027 0.000 0.761 446 A CB -0.519 18.460 19.000 -0.034 0.000 0.801 446 A HN 0.538 nan 8.150 nan 0.000 0.473 447 G N -0.510 108.259 108.800 -0.053 0.000 2.182 447 G HA2 -0.245 3.715 3.960 0.000 0.000 0.248 447 G HA3 -0.245 3.715 3.960 0.000 0.000 0.248 447 G C 0.331 175.180 174.900 -0.085 0.000 1.042 447 G CA 0.507 45.577 45.100 -0.050 0.000 0.775 447 G HN 0.609 nan 8.290 nan 0.000 0.501 448 E N -1.270 118.809 120.200 -0.201 0.000 2.435 448 E HA 0.093 4.443 4.350 0.000 0.000 0.195 448 E C 0.599 176.903 176.600 -0.493 0.000 1.029 448 E CA 0.580 56.734 56.400 -0.409 0.000 0.865 448 E CB 0.103 29.410 29.700 -0.656 0.000 0.833 448 E HN 0.800 nan 8.360 nan 0.000 0.510 449 Y N -0.399 119.946 120.300 0.076 0.000 2.698 449 Y HA 0.140 4.690 4.550 0.000 0.000 0.261 449 Y C 0.674 176.538 175.900 -0.060 0.000 1.104 449 Y CA -0.673 57.418 58.100 -0.015 0.000 1.145 449 Y CB 0.650 39.173 38.460 0.103 0.000 1.191 449 Y HN -0.100 nan 8.280 nan 0.000 0.564 450 D N 0.076 120.550 120.400 0.124 0.000 2.178 450 D HA -0.189 4.451 4.640 0.000 0.000 0.201 450 D C 2.073 178.429 176.300 0.093 0.000 0.980 450 D CA 1.611 55.659 54.000 0.080 0.000 0.842 450 D CB -0.123 40.718 40.800 0.069 0.000 0.948 450 D HN 0.618 nan 8.370 nan 0.000 0.472 451 H N 0.013 119.127 119.070 0.074 0.000 2.462 451 H HA 0.051 4.607 4.556 0.000 0.000 0.292 451 H C 1.013 176.390 175.328 0.082 0.000 1.049 451 H CA 0.134 56.218 56.048 0.061 0.000 1.334 451 H CB -0.591 29.198 29.762 0.044 0.000 1.404 451 H HN 0.111 nan 8.280 nan 0.000 0.544 452 L N 3.388 124.379 121.223 -0.387 0.000 2.439 452 L HA 0.208 4.548 4.340 0.000 0.000 0.269 452 L C -1.856 175.019 176.870 0.008 0.000 1.179 452 L CA -1.887 52.835 54.840 -0.197 0.000 0.828 452 L CB 0.569 42.468 42.059 -0.267 0.000 1.106 452 L HN 0.118 nan 8.230 nan 0.000 0.467 453 P HA 0.024 nan 4.420 nan 0.000 0.274 453 P C 0.145 177.532 177.300 0.146 0.000 1.231 453 P CA -0.424 62.706 63.100 0.049 0.000 0.790 453 P CB 0.721 32.428 31.700 0.012 0.000 0.951 454 E N 1.698 121.973 120.200 0.125 0.000 2.118 454 E HA -0.262 4.088 4.350 0.000 0.000 0.195 454 E C 1.156 177.886 176.600 0.217 0.000 0.992 454 E CA 1.160 57.656 56.400 0.160 0.000 0.804 454 E CB -0.190 29.529 29.700 0.032 0.000 0.741 454 E HN 0.275 nan 8.360 nan 0.000 0.458 455 Q N -0.174 119.694 119.800 0.113 0.000 2.436 455 Q HA 0.026 4.366 4.340 0.000 0.000 0.209 455 Q C 1.920 177.981 176.000 0.102 0.000 0.965 455 Q CA 0.951 56.813 55.803 0.098 0.000 0.910 455 Q CB 0.161 28.919 28.738 0.033 0.000 0.980 455 Q HN 0.466 nan 8.270 nan 0.000 0.491 456 A N -0.511 122.315 122.820 0.010 0.000 2.015 456 A HA -0.101 4.219 4.320 0.000 0.000 0.219 456 A C 1.434 178.855 177.584 -0.272 0.000 1.163 456 A CA 0.814 52.725 52.037 -0.209 0.000 0.646 456 A CB -0.497 18.238 19.000 -0.441 0.000 0.806 456 A HN 0.282 nan 8.150 nan 0.000 0.448 457 F N -2.444 117.498 119.950 -0.013 0.000 2.743 457 F HA 0.179 4.706 4.527 0.000 0.000 0.297 457 F C 0.809 176.710 175.800 0.169 0.000 1.131 457 F CA -0.300 57.728 58.000 0.047 0.000 1.426 457 F CB -0.332 38.661 39.000 -0.012 0.000 1.116 457 F HN 0.266 nan 8.300 nan 0.000 0.583 458 Y N 1.421 121.812 120.300 0.151 0.000 2.425 458 Y HA 0.207 4.757 4.550 0.000 0.000 0.331 458 Y C 0.857 176.773 175.900 0.027 0.000 1.157 458 Y CA -1.477 56.672 58.100 0.082 0.000 1.372 458 Y CB 0.319 38.807 38.460 0.048 0.000 1.253 458 Y HN 0.008 nan 8.280 nan 0.000 0.536 459 M N 5.608 124.826 119.600 -0.638 0.000 2.217 459 M HA -0.171 4.309 4.480 0.000 0.000 0.187 459 M C -1.001 175.152 176.300 -0.245 0.000 0.642 459 M CA 0.991 55.982 55.300 -0.516 0.000 0.450 459 M CB -2.718 29.479 32.600 -0.672 0.000 1.039 459 M HN 0.408 nan 8.290 nan 0.000 0.916 460 V N -3.144 116.689 119.914 -0.135 0.000 3.155 460 V HA 1.065 5.185 4.120 0.000 0.000 0.313 460 V C 0.813 176.860 176.094 -0.079 0.000 1.162 460 V CA -0.201 62.055 62.300 -0.072 0.000 1.048 460 V CB 1.534 33.354 31.823 -0.004 0.000 1.092 460 V HN 0.399 nan 8.190 nan 0.000 0.447 461 G N 0.194 108.969 108.800 -0.041 0.000 2.722 461 G HA2 0.418 4.378 3.960 0.000 0.000 0.201 461 G HA3 0.418 4.378 3.960 0.000 0.000 0.201 461 G C -2.127 172.765 174.900 -0.015 0.000 1.926 461 G CA -0.160 44.910 45.100 -0.050 0.000 0.872 461 G HN 0.761 nan 8.290 nan 0.000 0.581 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.627 178.063 177.300 0.227 0.000 1.246 462 P CA -0.544 62.645 63.100 0.147 0.000 0.795 462 P CB 1.594 33.334 31.700 0.068 0.000 1.006 463 I N 0.888 121.580 120.570 0.203 0.000 2.335 463 I HA -0.251 3.919 4.170 0.000 0.000 0.251 463 I C 1.956 177.930 176.117 -0.237 0.000 1.129 463 I CA 1.723 62.924 61.300 -0.165 0.000 1.402 463 I CB -0.715 37.119 38.000 -0.276 0.000 1.069 463 I HN 0.288 nan 8.210 nan 0.000 0.424 464 E N 0.480 120.620 120.200 -0.100 0.000 2.085 464 E HA -0.259 4.091 4.350 0.000 0.000 0.194 464 E C 2.117 178.637 176.600 -0.133 0.000 0.994 464 E CA 1.643 57.983 56.400 -0.100 0.000 0.801 464 E CB -0.264 29.413 29.700 -0.038 0.000 0.743 464 E HN 0.548 nan 8.360 nan 0.000 0.453 465 E N -0.276 119.866 120.200 -0.097 0.000 2.204 465 E HA -0.160 4.190 4.350 0.000 0.000 0.195 465 E C 1.851 178.341 176.600 -0.184 0.000 0.990 465 E CA 0.777 57.114 56.400 -0.104 0.000 0.821 465 E CB -0.075 29.592 29.700 -0.054 0.000 0.750 465 E HN 0.292 nan 8.360 nan 0.000 0.477 466 A N 0.489 123.132 122.820 -0.295 0.000 1.930 466 A HA -0.075 4.245 4.320 0.000 0.000 0.215 466 A C 2.389 179.631 177.584 -0.570 0.000 1.176 466 A CA 0.646 52.355 52.037 -0.547 0.000 0.632 466 A CB -0.227 18.201 19.000 -0.953 0.000 0.819 466 A HN 0.098 nan 8.150 nan 0.000 0.445 467 V N -0.042 119.596 119.914 -0.461 0.000 2.307 467 V HA -0.216 3.904 4.120 0.000 0.000 0.245 467 V C 3.030 179.008 176.094 -0.194 0.000 1.045 467 V CA 1.875 63.992 62.300 -0.305 0.000 1.024 467 V CB -1.185 30.529 31.823 -0.182 0.000 0.651 467 V HN 0.575 nan 8.190 nan 0.000 0.449 468 A N -0.378 122.345 122.820 -0.163 0.000 1.930 468 A HA -0.236 4.084 4.320 0.000 0.000 0.217 468 A C 2.338 179.853 177.584 -0.115 0.000 1.175 468 A CA 2.062 54.033 52.037 -0.110 0.000 0.627 468 A CB -0.427 18.522 19.000 -0.086 0.000 0.815 468 A HN 0.518 nan 8.150 nan 0.000 0.443 469 K N -0.391 119.917 120.400 -0.154 0.000 2.103 469 K HA 0.020 4.340 4.320 0.000 0.000 0.204 469 K C 2.133 178.651 176.600 -0.136 0.000 1.052 469 K CA 0.954 57.158 56.287 -0.138 0.000 0.945 469 K CB -0.274 32.133 32.500 -0.154 0.000 0.722 469 K HN 0.360 nan 8.250 nan 0.000 0.443 470 A N 1.418 124.126 122.820 -0.187 0.000 1.902 470 A HA -0.197 4.123 4.320 0.000 0.000 0.217 470 A C 1.522 179.054 177.584 -0.086 0.000 1.181 470 A CA 2.129 54.074 52.037 -0.154 0.000 0.623 470 A CB -0.571 18.305 19.000 -0.208 0.000 0.818 470 A HN 0.365 nan 8.150 nan 0.000 0.443 471 D N -0.864 119.490 120.400 -0.077 0.000 2.144 471 D HA -0.094 4.546 4.640 0.000 0.000 0.200 471 D C 1.928 178.205 176.300 -0.038 0.000 0.978 471 D CA 1.401 55.375 54.000 -0.044 0.000 0.833 471 D CB -0.111 40.666 40.800 -0.039 0.000 0.961 471 D HN 0.523 nan 8.370 nan 0.000 0.470 472 K N 0.133 120.505 120.400 -0.048 0.000 2.217 472 K HA 0.051 4.371 4.320 0.000 0.000 0.202 472 K C 1.094 177.677 176.600 -0.029 0.000 1.051 472 K CA 0.359 56.624 56.287 -0.036 0.000 0.952 472 K CB 0.048 32.524 32.500 -0.041 0.000 0.736 472 K HN 0.133 nan 8.250 nan 0.000 0.453 473 L N 1.862 123.064 121.223 -0.035 0.000 2.747 473 L HA 0.109 4.449 4.340 0.000 0.000 0.248 473 L C 0.395 177.255 176.870 -0.016 0.000 1.191 473 L CA -0.151 54.674 54.840 -0.024 0.000 1.003 473 L CB -1.106 40.935 42.059 -0.029 0.000 1.235 473 L HN 0.256 nan 8.230 nan 0.000 0.426 474 A N 0.000 122.812 122.820 -0.014 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.032 52.037 -0.008 0.000 0.836 474 A CB 0.000 18.997 19.000 -0.004 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486