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 1e79_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.828 174.700 0.213 0.000 1.109 9 T CA 0.000 62.170 62.100 0.117 0.000 1.349 9 T CB 0.000 68.947 68.868 0.131 0.000 0.612 10 T N 0.854 115.509 114.554 0.168 0.000 2.797 10 T HA 0.742 5.092 4.350 0.000 0.000 0.279 10 T C 0.551 175.196 174.700 -0.092 0.000 0.991 10 T CA -0.326 61.825 62.100 0.084 0.000 0.979 10 T CB 1.419 70.291 68.868 0.008 0.000 0.943 10 T HN 1.028 nan 8.240 nan 0.000 0.444 11 G N 2.029 110.515 108.800 -0.523 0.000 2.705 11 G HA2 0.771 4.731 3.960 0.000 0.000 0.299 11 G HA3 0.771 4.731 3.960 0.000 0.000 0.299 11 G C -0.947 173.620 174.900 -0.554 0.000 1.315 11 G CA -0.945 43.511 45.100 -1.073 0.000 1.045 11 G HN 0.601 nan 8.290 nan 0.000 0.517 12 R N -0.789 119.428 120.500 -0.472 0.000 2.744 12 R HA 0.385 4.725 4.340 0.000 0.000 0.279 12 R C -0.532 175.644 176.300 -0.206 0.000 0.977 12 R CA -0.928 55.018 56.100 -0.256 0.000 0.906 12 R CB 2.148 32.346 30.300 -0.170 0.000 1.197 12 R HN 0.257 nan 8.270 nan 0.000 0.463 13 I N 3.221 123.712 120.570 -0.133 0.000 2.648 13 I HA -0.041 4.129 4.170 0.000 0.000 0.284 13 I C 1.432 177.508 176.117 -0.069 0.000 1.153 13 I CA 0.510 61.758 61.300 -0.087 0.000 1.426 13 I CB 1.099 39.064 38.000 -0.058 0.000 1.381 13 I HN 0.630 nan 8.210 nan 0.000 0.571 14 V N 2.528 122.411 119.914 -0.052 0.000 3.562 14 V HA 0.642 4.762 4.120 0.000 0.000 0.270 14 V C 0.443 176.523 176.094 -0.024 0.000 1.418 14 V CA 0.232 62.509 62.300 -0.038 0.000 1.033 14 V CB 0.464 32.267 31.823 -0.035 0.000 0.820 14 V HN 0.772 nan 8.190 nan 0.000 0.441 15 A N -0.075 122.733 122.820 -0.019 0.000 2.540 15 A HA 0.787 5.107 4.320 0.000 0.000 0.297 15 A C -1.310 176.269 177.584 -0.008 0.000 1.056 15 A CA -0.344 51.686 52.037 -0.011 0.000 0.700 15 A CB 2.115 21.112 19.000 -0.006 0.000 1.280 15 A HN 0.572 nan 8.150 nan 0.000 0.398 16 V N 3.110 123.019 119.914 -0.007 0.000 2.409 16 V HA 0.460 4.580 4.120 0.000 0.000 0.290 16 V C -0.658 175.434 176.094 -0.003 0.000 1.017 16 V CA -0.026 62.271 62.300 -0.005 0.000 0.841 16 V CB 1.084 32.903 31.823 -0.007 0.000 1.003 16 V HN 0.706 nan 8.190 nan 0.000 0.426 17 I N 4.736 125.305 120.570 -0.001 0.000 2.595 17 I HA 0.586 4.756 4.170 0.000 0.000 0.275 17 I C 1.115 177.231 176.117 -0.001 0.000 1.092 17 I CA -0.036 61.263 61.300 -0.001 0.000 1.145 17 I CB 1.063 39.063 38.000 -0.001 0.000 1.276 17 I HN 0.823 nan 8.210 nan 0.000 0.497 18 G N 4.610 113.409 108.800 -0.002 0.000 2.591 18 G HA2 -0.363 3.597 3.960 0.000 0.000 0.298 18 G HA3 -0.363 3.597 3.960 0.000 0.000 0.298 18 G C 0.768 175.668 174.900 0.000 0.000 1.195 18 G CA 0.437 45.536 45.100 -0.002 0.000 0.989 18 G HN 0.759 nan 8.290 nan 0.000 0.551 19 A N -0.541 122.279 122.820 0.000 0.000 2.337 19 A HA 0.614 4.934 4.320 0.000 0.000 0.227 19 A C 0.655 178.242 177.584 0.006 0.000 1.259 19 A CA 1.310 53.349 52.037 0.003 0.000 0.870 19 A CB 0.014 19.014 19.000 0.001 0.000 0.927 19 A HN 1.417 nan 8.150 nan 0.000 0.497 20 V N 0.858 120.775 119.914 0.005 0.000 2.417 20 V HA 0.443 4.563 4.120 0.000 0.000 0.291 20 V C -0.605 175.495 176.094 0.010 0.000 1.024 20 V CA -0.483 61.822 62.300 0.009 0.000 0.861 20 V CB 1.473 33.301 31.823 0.007 0.000 0.985 20 V HN 0.083 nan 8.190 nan 0.000 0.436 21 V N 3.534 123.457 119.914 0.016 0.000 2.588 21 V HA 0.500 4.620 4.120 0.000 0.000 0.304 21 V C -0.954 175.152 176.094 0.021 0.000 1.042 21 V CA -0.808 61.501 62.300 0.013 0.000 0.877 21 V CB 2.157 33.987 31.823 0.012 0.000 0.996 21 V HN 0.796 nan 8.190 nan 0.000 0.425 22 D N 3.284 123.692 120.400 0.013 0.000 2.232 22 D HA 0.567 5.207 4.640 0.000 0.000 0.242 22 D C -0.445 175.859 176.300 0.007 0.000 1.093 22 D CA -0.061 53.952 54.000 0.020 0.000 0.845 22 D CB 2.184 42.992 40.800 0.014 0.000 1.124 22 D HN 0.271 nan 8.370 nan 0.000 0.467 23 V N 2.198 122.132 119.914 0.033 0.000 2.555 23 V HA 0.367 4.487 4.120 0.000 0.000 0.302 23 V C -0.071 176.022 176.094 -0.002 0.000 1.038 23 V CA -0.879 61.410 62.300 -0.018 0.000 0.887 23 V CB 2.039 33.880 31.823 0.029 0.000 0.991 23 V HN 0.404 nan 8.190 nan 0.000 0.434 24 Q N 2.606 122.311 119.800 -0.158 0.000 2.333 24 Q HA 0.647 4.987 4.340 0.000 0.000 0.267 24 Q C -2.096 173.746 176.000 -0.263 0.000 1.012 24 Q CA -0.500 55.252 55.803 -0.085 0.000 0.824 24 Q CB 1.738 30.435 28.738 -0.069 0.000 1.290 24 Q HN 0.635 nan 8.270 nan 0.000 0.449 25 F N 1.929 121.848 119.950 -0.051 0.000 2.507 25 F HA 0.274 4.801 4.527 0.000 0.000 0.325 25 F C 0.661 176.435 175.800 -0.043 0.000 1.116 25 F CA -0.822 57.150 58.000 -0.046 0.000 0.930 25 F CB 1.768 40.736 39.000 -0.054 0.000 1.146 25 F HN 0.587 nan 8.300 nan 0.000 0.447 26 D N 0.782 121.250 120.400 0.114 0.000 2.234 26 D HA -0.069 4.571 4.640 0.000 0.000 0.205 26 D C 1.312 177.648 176.300 0.060 0.000 0.962 26 D CA 1.102 55.137 54.000 0.059 0.000 0.855 26 D CB 0.323 41.139 40.800 0.027 0.000 0.951 26 D HN 0.595 nan 8.370 nan 0.000 0.500 27 E N 0.722 120.973 120.200 0.085 0.000 3.432 27 E HA 0.261 4.611 4.350 0.000 0.000 0.385 27 E C 0.848 177.462 176.600 0.022 0.000 0.439 27 E CA -0.504 55.924 56.400 0.048 0.000 2.317 27 E CB -1.084 28.644 29.700 0.046 0.000 2.175 27 E HN -0.119 nan 8.360 nan 0.000 0.450 28 G N 1.169 109.964 108.800 -0.008 0.000 2.364 28 G HA2 0.430 4.390 3.960 0.000 0.000 0.267 28 G HA3 0.430 4.390 3.960 0.000 0.000 0.267 28 G C -0.518 174.284 174.900 -0.163 0.000 1.233 28 G CA -0.483 44.580 45.100 -0.062 0.000 0.885 28 G HN 0.099 nan 8.290 nan 0.000 0.490 29 L N 4.269 125.370 121.223 -0.205 0.000 2.426 29 L HA 0.305 4.645 4.340 0.000 0.000 0.271 29 L C -1.504 175.155 176.870 -0.351 0.000 1.169 29 L CA -1.600 53.009 54.840 -0.386 0.000 0.836 29 L CB 0.806 42.611 42.059 -0.423 0.000 1.112 29 L HN 0.366 nan 8.230 nan 0.000 0.465 30 P HA 0.234 nan 4.420 nan 0.000 0.276 30 P C -2.660 174.629 177.300 -0.019 0.000 1.235 30 P CA -1.528 61.406 63.100 -0.277 0.000 0.772 30 P CB 0.123 31.610 31.700 -0.356 0.000 0.871 31 P HA 0.106 nan 4.420 nan 0.000 0.269 31 P C 0.459 177.768 177.300 0.015 0.000 1.215 31 P CA 0.019 63.148 63.100 0.050 0.000 0.780 31 P CB 0.504 32.189 31.700 -0.025 0.000 0.898 32 I N 2.462 122.967 120.570 -0.109 0.000 2.815 32 I HA -0.140 4.030 4.170 0.000 0.000 0.291 32 I C 1.545 177.588 176.117 -0.123 0.000 1.209 32 I CA 0.576 61.804 61.300 -0.121 0.000 1.431 32 I CB -0.354 37.522 38.000 -0.207 0.000 1.351 32 I HN 0.438 nan 8.210 nan 0.000 0.585 33 L N 1.603 122.751 121.223 -0.126 0.000 4.892 33 L HA -0.244 4.096 4.340 0.000 0.000 0.403 33 L C 0.135 176.952 176.870 -0.088 0.000 0.913 33 L CA 0.082 54.803 54.840 -0.198 0.000 1.653 33 L CB -1.650 40.170 42.059 -0.398 0.000 1.780 33 L HN 0.701 nan 8.230 nan 0.000 0.597 34 N N 1.004 119.678 118.700 -0.043 0.000 2.482 34 N HA 0.539 5.279 4.740 0.000 0.000 0.260 34 N C 0.239 175.757 175.510 0.013 0.000 1.236 34 N CA 0.796 53.837 53.050 -0.015 0.000 0.938 34 N CB 1.018 39.486 38.487 -0.032 0.000 1.128 34 N HN 0.285 nan 8.380 nan 0.000 0.448 35 A N 2.297 125.131 122.820 0.023 0.000 2.301 35 A HA 0.551 4.871 4.320 0.000 0.000 0.298 35 A C -0.422 177.184 177.584 0.037 0.000 1.185 35 A CA -0.508 51.550 52.037 0.035 0.000 0.830 35 A CB 0.002 19.023 19.000 0.034 0.000 1.112 35 A HN 0.611 nan 8.150 nan 0.000 0.508 36 L N 2.066 123.322 121.223 0.056 0.000 2.334 36 L HA 0.503 4.843 4.340 0.000 0.000 0.276 36 L C -0.185 176.720 176.870 0.057 0.000 1.014 36 L CA -0.728 54.160 54.840 0.081 0.000 0.815 36 L CB 1.663 43.803 42.059 0.136 0.000 1.268 36 L HN 0.587 nan 8.230 nan 0.000 0.428 37 E N 2.665 122.897 120.200 0.053 0.000 2.092 37 E HA 0.284 4.634 4.350 0.000 0.000 0.271 37 E C -0.795 175.820 176.600 0.024 0.000 0.919 37 E CA -0.545 55.873 56.400 0.029 0.000 0.760 37 E CB 2.410 32.119 29.700 0.015 0.000 1.106 37 E HN 0.218 nan 8.360 nan 0.000 0.408 38 V N 4.239 124.162 119.914 0.015 0.000 2.555 38 V HA -0.008 4.112 4.120 0.000 0.000 0.286 38 V C 0.631 176.723 176.094 -0.003 0.000 1.044 38 V CA -0.277 62.024 62.300 0.002 0.000 1.026 38 V CB 0.836 32.659 31.823 0.000 0.000 0.981 38 V HN 0.477 nan 8.190 nan 0.000 0.480 39 Q N 2.361 122.154 119.800 -0.011 0.000 2.221 39 Q HA 0.493 4.834 4.340 0.000 0.000 0.242 39 Q C 0.974 176.966 176.000 -0.013 0.000 0.940 39 Q CA 0.235 56.031 55.803 -0.012 0.000 0.896 39 Q CB 1.315 30.044 28.738 -0.015 0.000 1.226 39 Q HN 1.150 nan 8.270 nan 0.000 0.463 40 G N 1.633 110.426 108.800 -0.011 0.000 2.289 40 G HA2 -0.265 3.695 3.960 0.000 0.000 0.280 40 G HA3 -0.265 3.695 3.960 0.000 0.000 0.280 40 G C -0.247 174.648 174.900 -0.009 0.000 1.089 40 G CA 0.096 45.190 45.100 -0.011 0.000 0.939 40 G HN 0.393 nan 8.290 nan 0.000 0.499 41 R N -0.856 119.640 120.500 -0.006 0.000 2.673 41 R HA 0.372 4.712 4.340 0.000 0.000 0.281 41 R C 0.898 177.196 176.300 -0.003 0.000 0.991 41 R CA -0.966 55.132 56.100 -0.005 0.000 0.896 41 R CB 1.195 31.493 30.300 -0.003 0.000 1.201 41 R HN 0.114 nan 8.270 nan 0.000 0.457 42 E N 0.708 120.907 120.200 -0.002 0.000 2.038 42 E HA -0.119 4.231 4.350 0.000 0.000 0.195 42 E C 0.705 177.305 176.600 -0.000 0.000 1.000 42 E CA 1.817 58.217 56.400 -0.001 0.000 0.803 42 E CB 0.045 29.745 29.700 -0.000 0.000 0.750 42 E HN 0.670 nan 8.360 nan 0.000 0.448 43 T N -1.502 113.052 114.554 0.000 0.000 2.918 43 T HA 0.470 4.820 4.350 0.000 0.000 0.286 43 T C 0.093 174.794 174.700 0.002 0.000 1.026 43 T CA -0.926 61.175 62.100 0.001 0.000 1.031 43 T CB 2.365 71.235 68.868 0.003 0.000 1.046 43 T HN -0.104 nan 8.240 nan 0.000 0.479 44 R N 0.960 121.461 120.500 0.002 0.000 2.458 44 R HA 0.279 4.619 4.340 0.000 0.000 0.303 44 R C -0.934 175.370 176.300 0.006 0.000 1.013 44 R CA -0.462 55.640 56.100 0.002 0.000 1.026 44 R CB -0.192 30.109 30.300 0.001 0.000 0.948 44 R HN 0.541 nan 8.270 nan 0.000 0.417 45 L N 6.035 127.262 121.223 0.006 0.000 2.305 45 L HA 0.384 4.724 4.340 0.000 0.000 0.284 45 L C -1.148 175.731 176.870 0.014 0.000 1.013 45 L CA -0.455 54.391 54.840 0.010 0.000 0.819 45 L CB 1.838 43.901 42.059 0.007 0.000 1.227 45 L HN 0.331 nan 8.230 nan 0.000 0.417 46 V N 6.219 126.145 119.914 0.019 0.000 2.547 46 V HA 0.537 4.657 4.120 0.000 0.000 0.299 46 V C -0.248 175.865 176.094 0.033 0.000 1.040 46 V CA -0.625 61.691 62.300 0.026 0.000 0.913 46 V CB 1.938 33.778 31.823 0.027 0.000 0.992 46 V HN 0.595 nan 8.190 nan 0.000 0.449 47 L N 3.628 124.876 121.223 0.042 0.000 2.376 47 L HA 0.554 4.894 4.340 0.000 0.000 0.275 47 L C -0.214 176.689 176.870 0.054 0.000 0.987 47 L CA -0.334 54.534 54.840 0.048 0.000 0.828 47 L CB 1.989 44.081 42.059 0.054 0.000 1.249 47 L HN 0.635 nan 8.230 nan 0.000 0.409 48 E N 2.527 122.758 120.200 0.052 0.000 2.200 48 E HA 0.326 4.676 4.350 0.000 0.000 0.283 48 E C -0.794 175.831 176.600 0.042 0.000 1.015 48 E CA -0.716 55.715 56.400 0.052 0.000 0.819 48 E CB 1.621 31.362 29.700 0.070 0.000 1.081 48 E HN 0.316 nan 8.360 nan 0.000 0.397 49 V N 4.123 124.057 119.914 0.034 0.000 2.673 49 V HA 0.060 4.180 4.120 0.000 0.000 0.303 49 V C 0.891 176.994 176.094 0.016 0.000 1.046 49 V CA 0.981 63.307 62.300 0.043 0.000 1.126 49 V CB 0.964 32.820 31.823 0.054 0.000 0.934 49 V HN 0.918 nan 8.190 nan 0.000 0.487 50 A N 4.047 126.886 122.820 0.031 0.000 1.999 50 A HA 0.347 4.667 4.320 0.000 0.000 0.200 50 A C 0.666 178.252 177.584 0.003 0.000 1.363 50 A CA 0.178 52.218 52.037 0.005 0.000 0.844 50 A CB 0.368 19.375 19.000 0.012 0.000 0.954 50 A HN 0.788 nan 8.150 nan 0.000 0.481 51 Q N -1.314 118.517 119.800 0.052 0.000 2.553 51 Q HA 0.449 4.790 4.340 0.000 0.000 0.293 51 Q C -1.610 174.522 176.000 0.220 0.000 1.038 51 Q CA -0.655 55.184 55.803 0.060 0.000 0.777 51 Q CB 1.665 30.429 28.738 0.043 0.000 1.487 51 Q HN 0.576 nan 8.270 nan 0.000 0.426 52 H N 1.205 120.271 119.070 -0.007 0.000 2.623 52 H HA 0.259 4.815 4.556 0.000 0.000 0.299 52 H C 0.459 175.790 175.328 0.004 0.000 1.052 52 H CA -0.309 55.738 56.048 -0.002 0.000 1.231 52 H CB 0.948 30.703 29.762 -0.012 0.000 1.389 52 H HN 0.423 nan 8.280 nan 0.000 0.469 53 L N 2.671 123.957 121.223 0.105 0.000 2.291 53 L HA 0.084 4.424 4.340 0.000 0.000 0.214 53 L C 1.205 178.102 176.870 0.045 0.000 1.120 53 L CA 0.771 55.647 54.840 0.060 0.000 0.799 53 L CB -0.086 41.998 42.059 0.041 0.000 0.925 53 L HN 0.884 nan 8.230 nan 0.000 0.446 54 G N -0.215 108.608 108.800 0.039 0.000 2.612 54 G HA2 -0.153 3.807 3.960 0.000 0.000 0.686 54 G HA3 -0.153 3.807 3.960 0.000 0.000 0.686 54 G C 0.000 174.906 174.900 0.009 0.000 1.274 54 G CA -0.376 44.738 45.100 0.023 0.000 0.849 54 G HN 0.281 nan 8.290 nan 0.000 0.595 55 E N -1.092 119.112 120.200 0.006 0.000 2.637 55 E HA -0.235 4.115 4.350 0.000 0.000 0.265 55 E C 0.918 177.520 176.600 0.002 0.000 1.073 55 E CA 1.124 57.527 56.400 0.004 0.000 0.778 55 E CB -1.541 28.162 29.700 0.005 0.000 1.362 55 E HN 1.970 nan 8.360 nan 0.000 0.413 56 S N -1.441 114.254 115.700 -0.007 0.000 3.521 56 S HA -0.191 4.279 4.470 0.000 0.000 0.328 56 S C 0.017 174.628 174.600 0.019 0.000 1.165 56 S CA 1.549 59.745 58.200 -0.006 0.000 0.941 56 S CB -0.675 62.537 63.200 0.019 0.000 0.951 56 S HN 0.436 nan 8.310 nan 0.000 0.539 57 T N 1.368 115.924 114.554 0.004 0.000 2.807 57 T HA 0.625 4.975 4.350 0.000 0.000 0.279 57 T C 0.225 174.937 174.700 0.020 0.000 0.993 57 T CA -0.258 61.861 62.100 0.031 0.000 0.970 57 T CB 1.785 70.666 68.868 0.021 0.000 0.950 57 T HN 0.453 nan 8.240 nan 0.000 0.441 58 V N 1.440 121.393 119.914 0.065 0.000 2.850 58 V HA 0.789 4.909 4.120 0.000 0.000 0.315 58 V C -0.249 175.900 176.094 0.090 0.000 1.064 58 V CA -1.403 60.943 62.300 0.077 0.000 0.979 58 V CB 1.656 33.531 31.823 0.086 0.000 1.039 58 V HN 0.872 nan 8.190 nan 0.000 0.452 59 R N 1.975 122.529 120.500 0.090 0.000 2.343 59 R HA 0.695 5.035 4.340 0.000 0.000 0.320 59 R C -0.229 176.109 176.300 0.063 0.000 0.956 59 R CA 0.220 56.358 56.100 0.064 0.000 0.836 59 R CB 1.511 31.840 30.300 0.048 0.000 1.151 59 R HN 1.161 nan 8.270 nan 0.000 0.450 60 T N 2.685 117.272 114.554 0.055 0.000 2.942 60 T HA 0.529 4.879 4.350 0.000 0.000 0.289 60 T C 0.235 174.956 174.700 0.035 0.000 1.044 60 T CA -1.012 61.119 62.100 0.051 0.000 1.023 60 T CB 1.306 70.212 68.868 0.063 0.000 1.123 60 T HN 0.511 nan 8.240 nan 0.000 0.512 61 I N -0.136 120.454 120.570 0.033 0.000 2.441 61 I HA 0.764 4.934 4.170 0.000 0.000 0.295 61 I C -0.083 176.051 176.117 0.028 0.000 0.994 61 I CA -1.472 59.843 61.300 0.025 0.000 1.144 61 I CB 0.642 38.654 38.000 0.020 0.000 1.314 61 I HN 0.964 nan 8.210 nan 0.000 0.445 62 A N 6.780 129.613 122.820 0.021 0.000 2.354 62 A HA 0.551 4.871 4.320 0.000 0.000 0.269 62 A C 0.787 178.384 177.584 0.022 0.000 1.109 62 A CA -0.564 51.486 52.037 0.021 0.000 0.800 62 A CB 0.739 19.748 19.000 0.015 0.000 1.045 62 A HN 0.811 nan 8.150 nan 0.000 0.489 63 M N 0.726 120.341 119.600 0.024 0.000 2.495 63 M HA 0.181 4.661 4.480 0.000 0.000 0.237 63 M C -0.021 176.291 176.300 0.020 0.000 1.131 63 M CA 0.656 55.971 55.300 0.025 0.000 1.032 63 M CB -0.932 31.686 32.600 0.030 0.000 1.513 63 M HN 0.778 nan 8.290 nan 0.000 0.488 64 D N -1.078 119.331 120.400 0.016 0.000 2.759 64 D HA 0.444 5.084 4.640 0.000 0.000 0.321 64 D C -0.536 175.770 176.300 0.010 0.000 1.267 64 D CA -0.207 53.801 54.000 0.013 0.000 0.933 64 D CB 1.376 42.183 40.800 0.013 0.000 1.431 64 D HN 0.113 nan 8.370 nan 0.000 0.504 65 G N -0.944 107.861 108.800 0.008 0.000 2.559 65 G HA2 0.324 4.284 3.960 0.000 0.000 0.235 65 G HA3 0.324 4.284 3.960 0.000 0.000 0.235 65 G C 0.785 175.687 174.900 0.004 0.000 1.266 65 G CA 0.689 45.792 45.100 0.005 0.000 0.847 65 G HN 0.397 nan 8.290 nan 0.000 0.583 66 T N -1.891 112.665 114.554 0.002 0.000 3.044 66 T HA 0.199 4.549 4.350 0.000 0.000 0.260 66 T C 0.379 175.078 174.700 -0.001 0.000 1.019 66 T CA -0.089 62.011 62.100 0.001 0.000 0.921 66 T CB 0.063 68.932 68.868 0.001 0.000 1.053 66 T HN 0.559 nan 8.240 nan 0.000 0.533 67 E N 1.686 121.885 120.200 -0.001 0.000 2.442 67 E HA 0.433 4.783 4.350 0.000 0.000 0.262 67 E C 1.408 178.007 176.600 -0.003 0.000 1.004 67 E CA 0.452 56.851 56.400 -0.002 0.000 0.928 67 E CB -0.618 29.081 29.700 -0.001 0.000 0.937 67 E HN 0.361 nan 8.360 nan 0.000 0.446 68 G N 1.398 110.195 108.800 -0.005 0.000 2.225 68 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 68 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 68 G C 0.087 174.982 174.900 -0.008 0.000 0.988 68 G CA 0.084 45.180 45.100 -0.006 0.000 0.625 68 G HN 0.446 nan 8.290 nan 0.000 0.527 69 L N 0.902 122.120 121.223 -0.008 0.000 2.456 69 L HA 0.496 4.837 4.340 0.000 0.000 0.272 69 L C 0.668 177.529 176.870 -0.014 0.000 1.189 69 L CA -0.346 54.487 54.840 -0.012 0.000 0.846 69 L CB 1.126 43.179 42.059 -0.011 0.000 1.111 69 L HN 0.004 nan 8.230 nan 0.000 0.475 70 V N 2.837 122.740 119.914 -0.019 0.000 2.769 70 V HA 0.393 4.513 4.120 0.000 0.000 0.312 70 V C 0.061 176.139 176.094 -0.026 0.000 1.061 70 V CA -0.953 61.335 62.300 -0.020 0.000 0.931 70 V CB 2.002 33.813 31.823 -0.020 0.000 1.010 70 V HN 0.666 nan 8.190 nan 0.000 0.433 71 R N 1.950 122.435 120.500 -0.025 0.000 2.401 71 R HA 0.482 4.822 4.340 0.000 0.000 0.299 71 R C 1.201 177.479 176.300 -0.037 0.000 1.064 71 R CA 0.940 57.022 56.100 -0.031 0.000 1.000 71 R CB 0.356 30.640 30.300 -0.027 0.000 0.973 71 R HN 1.172 nan 8.270 nan 0.000 0.438 72 G N 1.823 110.594 108.800 -0.049 0.000 2.307 72 G HA2 -0.285 3.675 3.960 0.000 0.000 0.210 72 G HA3 -0.285 3.675 3.960 0.000 0.000 0.210 72 G C 0.184 175.047 174.900 -0.062 0.000 1.005 72 G CA -0.281 44.787 45.100 -0.055 0.000 0.634 72 G HN 0.576 nan 8.290 nan 0.000 0.496 73 Q N 1.748 121.515 119.800 -0.055 0.000 2.304 73 Q HA 0.323 4.663 4.340 0.000 0.000 0.301 73 Q C 0.307 176.262 176.000 -0.075 0.000 1.063 73 Q CA 0.531 56.301 55.803 -0.054 0.000 0.947 73 Q CB 0.294 29.007 28.738 -0.041 0.000 1.201 73 Q HN 0.446 nan 8.270 nan 0.000 0.389 74 K N 2.138 122.497 120.400 -0.068 0.000 2.270 74 K HA 0.313 4.633 4.320 0.000 0.000 0.276 74 K C -1.082 175.475 176.600 -0.073 0.000 1.023 74 K CA -0.386 55.851 56.287 -0.082 0.000 0.955 74 K CB 1.146 33.611 32.500 -0.059 0.000 0.975 74 K HN 0.349 nan 8.250 nan 0.000 0.471 75 V N 4.522 124.375 119.914 -0.102 0.000 2.638 75 V HA 0.354 4.474 4.120 0.000 0.000 0.306 75 V C -0.426 175.678 176.094 0.017 0.000 1.052 75 V CA -0.971 61.299 62.300 -0.050 0.000 0.885 75 V CB 1.609 33.388 31.823 -0.074 0.000 0.999 75 V HN 0.585 nan 8.190 nan 0.000 0.424 76 L N 2.893 124.158 121.223 0.070 0.000 2.309 76 L HA 0.576 4.916 4.340 0.000 0.000 0.282 76 L C -0.306 176.658 176.870 0.156 0.000 1.036 76 L CA -0.554 54.354 54.840 0.115 0.000 0.806 76 L CB 1.603 43.696 42.059 0.057 0.000 1.220 76 L HN 0.586 nan 8.230 nan 0.000 0.429 77 D N 1.023 121.533 120.400 0.184 0.000 2.316 77 D HA 0.042 4.682 4.640 0.000 0.000 0.245 77 D C 1.095 177.410 176.300 0.026 0.000 1.171 77 D CA -0.205 53.841 54.000 0.077 0.000 0.856 77 D CB 1.503 42.277 40.800 -0.044 0.000 1.090 77 D HN 0.550 nan 8.370 nan 0.000 0.476 78 S N 2.781 118.489 115.700 0.012 0.000 2.507 78 S HA 0.077 4.547 4.470 0.000 0.000 0.235 78 S C 1.697 176.285 174.600 -0.020 0.000 0.988 78 S CA 0.653 58.848 58.200 -0.009 0.000 0.944 78 S CB -0.308 62.882 63.200 -0.017 0.000 0.762 78 S HN 0.927 nan 8.310 nan 0.000 0.526 79 G N -0.049 108.736 108.800 -0.025 0.000 2.175 79 G HA2 0.104 4.064 3.960 0.000 0.000 0.244 79 G HA3 0.104 4.064 3.960 0.000 0.000 0.244 79 G C 0.165 175.050 174.900 -0.025 0.000 0.982 79 G CA -0.128 44.953 45.100 -0.031 0.000 0.641 79 G HN 1.633 nan 8.290 nan 0.000 0.527 80 A N -1.005 121.805 122.820 -0.017 0.000 2.564 80 A HA 0.901 5.221 4.320 0.000 0.000 0.291 80 A C -2.996 174.595 177.584 0.011 0.000 1.102 80 A CA -0.488 51.547 52.037 -0.004 0.000 0.660 80 A CB 0.713 19.715 19.000 0.002 0.000 1.283 80 A HN 0.132 nan 8.150 nan 0.000 0.430 81 P HA 0.324 nan 4.420 nan 0.000 0.272 81 P C -0.321 177.026 177.300 0.078 0.000 1.254 81 P CA -0.177 62.971 63.100 0.079 0.000 0.795 81 P CB 0.167 31.956 31.700 0.150 0.000 1.022 82 I N 0.714 121.347 120.570 0.105 0.000 2.752 82 I HA -0.071 4.099 4.170 0.000 0.000 0.289 82 I C 1.229 177.380 176.117 0.056 0.000 1.197 82 I CA 0.994 62.334 61.300 0.066 0.000 1.432 82 I CB -0.155 37.885 38.000 0.067 0.000 1.359 82 I HN 0.133 nan 8.210 nan 0.000 0.571 83 R N 7.058 127.580 120.500 0.037 0.000 2.494 83 R HA 0.610 4.950 4.340 0.000 0.000 0.305 83 R C -0.724 175.644 176.300 0.113 0.000 0.959 83 R CA -0.773 55.365 56.100 0.063 0.000 0.864 83 R CB 1.934 32.248 30.300 0.023 0.000 1.159 83 R HN 0.514 nan 8.270 nan 0.000 0.446 84 I N -0.135 120.543 120.570 0.180 0.000 2.892 84 I HA 0.641 4.811 4.170 0.000 0.000 0.306 84 I C -2.903 173.358 176.117 0.240 0.000 1.078 84 I CA -3.373 58.054 61.300 0.212 0.000 1.032 84 I CB 1.670 39.718 38.000 0.081 0.000 1.229 84 I HN 0.347 nan 8.210 nan 0.000 0.435 85 P HA 0.249 nan 4.420 nan 0.000 0.268 85 P C -0.427 176.685 177.300 -0.313 0.000 1.204 85 P CA 0.154 63.033 63.100 -0.368 0.000 0.768 85 P CB 0.697 32.195 31.700 -0.337 0.000 0.842 86 V N 0.151 119.787 119.914 -0.462 0.000 2.914 86 V HA 1.031 5.151 4.120 0.000 0.000 0.314 86 V C -0.038 175.496 176.094 -0.934 0.000 1.084 86 V CA -0.280 61.684 62.300 -0.560 0.000 0.963 86 V CB 1.495 33.062 31.823 -0.427 0.000 1.025 86 V HN 0.960 nan 8.190 nan 0.000 0.432 87 G N 3.047 111.127 108.800 -1.200 0.000 2.347 87 G HA2 0.202 4.162 3.960 0.000 0.000 0.477 87 G HA3 0.202 4.162 3.960 0.000 0.000 0.477 87 G C -2.576 172.118 174.900 -0.343 0.000 1.349 87 G CA -0.019 44.417 45.100 -1.107 0.000 1.000 87 G HN 0.651 nan 8.290 nan 0.000 0.605 88 P HA -0.073 nan 4.420 nan 0.000 0.218 88 P C 1.296 178.603 177.300 0.012 0.000 1.146 88 P CA 1.762 64.962 63.100 0.166 0.000 0.813 88 P CB 0.037 31.841 31.700 0.172 0.000 0.778 89 E N -0.197 119.963 120.200 -0.066 0.000 2.511 89 E HA -0.055 4.295 4.350 0.000 0.000 0.196 89 E C 1.272 177.824 176.600 -0.080 0.000 1.066 89 E CA 1.044 57.399 56.400 -0.076 0.000 0.871 89 E CB -1.380 28.266 29.700 -0.091 0.000 0.863 89 E HN 0.385 nan 8.360 nan 0.000 0.520 90 T N -1.482 113.033 114.554 -0.067 0.000 3.054 90 T HA 0.128 4.478 4.350 0.000 0.000 0.259 90 T C 1.118 175.804 174.700 -0.022 0.000 1.092 90 T CA -0.263 61.808 62.100 -0.049 0.000 1.121 90 T CB -0.250 68.594 68.868 -0.040 0.000 0.912 90 T HN 0.026 nan 8.240 nan 0.000 0.489 91 L N 2.031 123.236 121.223 -0.030 0.000 2.455 91 L HA 0.447 4.787 4.340 0.000 0.000 0.272 91 L C 1.717 178.541 176.870 -0.076 0.000 1.174 91 L CA 0.901 55.684 54.840 -0.095 0.000 0.869 91 L CB 0.192 42.096 42.059 -0.260 0.000 1.130 91 L HN 0.564 nan 8.230 nan 0.000 0.474 92 G N 1.860 110.628 108.800 -0.053 0.000 2.199 92 G HA2 -0.217 3.743 3.960 0.000 0.000 0.254 92 G HA3 -0.217 3.743 3.960 0.000 0.000 0.254 92 G C 0.434 175.339 174.900 0.010 0.000 0.982 92 G CA -0.367 44.721 45.100 -0.019 0.000 0.632 92 G HN 0.468 nan 8.290 nan 0.000 0.529 93 R N -0.032 120.449 120.500 -0.031 0.000 2.596 93 R HA 0.753 5.093 4.340 0.000 0.000 0.267 93 R C 0.275 176.493 176.300 -0.136 0.000 1.026 93 R CA -0.770 55.291 56.100 -0.064 0.000 1.087 93 R CB 0.725 30.985 30.300 -0.067 0.000 1.132 93 R HN 0.326 nan 8.270 nan 0.000 0.531 94 I N 1.904 122.339 120.570 -0.224 0.000 2.406 94 I HA 0.419 4.589 4.170 0.000 0.000 0.290 94 I C 0.272 176.241 176.117 -0.247 0.000 0.999 94 I CA -0.463 60.625 61.300 -0.354 0.000 1.124 94 I CB 1.708 39.352 38.000 -0.593 0.000 1.289 94 I HN 0.296 nan 8.210 nan 0.000 0.441 95 M N 6.962 126.436 119.600 -0.210 0.000 2.690 95 M HA 0.487 4.967 4.480 0.000 0.000 0.302 95 M C -1.390 174.869 176.300 -0.068 0.000 1.234 95 M CA -0.481 54.755 55.300 -0.108 0.000 0.853 95 M CB 2.700 35.261 32.600 -0.066 0.000 1.748 95 M HN 0.786 nan 8.290 nan 0.000 0.469 96 N N 0.292 118.980 118.700 -0.019 0.000 2.813 96 N HA 0.442 5.182 4.740 0.000 0.000 0.320 96 N C 0.570 176.098 175.510 0.029 0.000 1.315 96 N CA -0.896 52.167 53.050 0.022 0.000 0.871 96 N CB 1.083 39.586 38.487 0.026 0.000 1.241 96 N HN 0.442 nan 8.380 nan 0.000 0.602 97 V N -0.832 119.106 119.914 0.039 0.000 2.380 97 V HA -0.239 3.881 4.120 0.000 0.000 0.251 97 V C 2.040 178.151 176.094 0.028 0.000 1.063 97 V CA 1.800 64.120 62.300 0.034 0.000 1.055 97 V CB -1.346 30.498 31.823 0.036 0.000 0.657 97 V HN 0.759 nan 8.190 nan 0.000 0.455 98 I N -1.657 118.930 120.570 0.028 0.000 3.855 98 I HA 0.661 4.831 4.170 0.000 0.000 0.327 98 I C 1.434 177.572 176.117 0.035 0.000 1.359 98 I CA 0.568 61.886 61.300 0.029 0.000 1.142 98 I CB -0.174 37.841 38.000 0.024 0.000 1.041 98 I HN 0.356 nan 8.210 nan 0.000 0.403 99 G N 1.105 109.925 108.800 0.033 0.000 2.205 99 G HA2 -0.282 3.678 3.960 0.000 0.000 0.261 99 G HA3 -0.282 3.678 3.960 0.000 0.000 0.261 99 G C 0.031 174.951 174.900 0.033 0.000 0.980 99 G CA 0.195 45.320 45.100 0.042 0.000 0.632 99 G HN 0.644 nan 8.290 nan 0.000 0.533 100 E N 2.257 122.470 120.200 0.022 0.000 2.392 100 E HA 0.324 4.674 4.350 0.000 0.000 0.264 100 E C -2.113 174.478 176.600 -0.014 0.000 1.024 100 E CA -1.274 55.133 56.400 0.011 0.000 0.903 100 E CB 0.767 30.471 29.700 0.007 0.000 0.963 100 E HN 0.243 nan 8.360 nan 0.000 0.432 101 P HA -0.002 nan 4.420 nan 0.000 0.271 101 P C 0.033 177.296 177.300 -0.061 0.000 1.220 101 P CA 0.454 63.522 63.100 -0.052 0.000 0.768 101 P CB 0.257 31.931 31.700 -0.043 0.000 0.848 102 I N -0.528 119.982 120.570 -0.099 0.000 3.833 102 I HA 0.262 4.432 4.170 0.000 0.000 0.328 102 I C 0.103 176.137 176.117 -0.139 0.000 1.554 102 I CA -0.287 60.958 61.300 -0.092 0.000 1.116 102 I CB 0.049 38.006 38.000 -0.072 0.000 1.182 102 I HN 0.029 nan 8.210 nan 0.000 0.459 103 D N 0.325 120.629 120.400 -0.160 0.000 2.369 103 D HA 0.021 4.661 4.640 0.000 0.000 0.211 103 D C 0.560 176.810 176.300 -0.084 0.000 1.077 103 D CA -0.086 53.795 54.000 -0.199 0.000 0.842 103 D CB -0.091 40.551 40.800 -0.262 0.000 0.947 103 D HN 0.467 nan 8.370 nan 0.000 0.509 104 E N -0.460 119.708 120.200 -0.053 0.000 2.971 104 E HA -0.260 4.090 4.350 0.000 0.000 0.278 104 E C 0.320 176.916 176.600 -0.006 0.000 1.009 104 E CA 0.333 56.722 56.400 -0.019 0.000 0.862 104 E CB -1.068 28.630 29.700 -0.003 0.000 1.436 104 E HN 0.412 nan 8.360 nan 0.000 0.434 105 R N 0.060 120.552 120.500 -0.013 0.000 2.466 105 R HA 0.277 4.617 4.340 0.000 0.000 0.279 105 R C 0.864 177.161 176.300 -0.006 0.000 0.976 105 R CA 0.394 56.493 56.100 -0.001 0.000 1.081 105 R CB 1.035 31.339 30.300 0.007 0.000 1.215 105 R HN 0.293 nan 8.270 nan 0.000 0.546 106 G N 1.847 110.642 108.800 -0.009 0.000 2.685 106 G HA2 -0.200 3.760 3.960 0.000 0.000 0.387 106 G HA3 -0.200 3.760 3.960 0.000 0.000 0.387 106 G C -2.620 172.275 174.900 -0.008 0.000 1.324 106 G CA -1.318 43.779 45.100 -0.006 0.000 0.878 106 G HN 0.003 nan 8.290 nan 0.000 0.527 107 P HA 0.350 nan 4.420 nan 0.000 0.267 107 P C 0.230 177.524 177.300 -0.010 0.000 1.200 107 P CA -0.037 63.065 63.100 0.004 0.000 0.772 107 P CB 0.294 32.003 31.700 0.015 0.000 0.855 108 I N 2.509 123.072 120.570 -0.012 0.000 2.257 108 I HA 0.109 4.279 4.170 0.000 0.000 0.290 108 I C 0.678 176.750 176.117 -0.076 0.000 1.137 108 I CA -0.342 60.929 61.300 -0.049 0.000 1.255 108 I CB -0.280 37.683 38.000 -0.061 0.000 1.485 108 I HN 0.106 nan 8.210 nan 0.000 0.534 109 K N 4.574 124.936 120.400 -0.063 0.000 2.307 109 K HA 0.049 4.369 4.320 0.000 0.000 0.219 109 K C 0.548 177.072 176.600 -0.127 0.000 1.220 109 K CA -0.037 56.209 56.287 -0.067 0.000 1.208 109 K CB -0.779 31.699 32.500 -0.037 0.000 1.270 109 K HN 0.548 nan 8.250 nan 0.000 0.225 110 T N -2.111 112.302 114.554 -0.235 0.000 2.902 110 T HA 0.220 4.570 4.350 0.000 0.000 0.280 110 T C 0.949 175.476 174.700 -0.288 0.000 0.992 110 T CA -0.939 60.969 62.100 -0.320 0.000 1.015 110 T CB 1.726 70.286 68.868 -0.513 0.000 1.044 110 T HN 0.212 nan 8.240 nan 0.000 0.520 111 K N 0.060 120.318 120.400 -0.237 0.000 2.314 111 K HA 0.107 4.427 4.320 0.000 0.000 0.198 111 K C 0.270 176.781 176.600 -0.150 0.000 1.045 111 K CA 0.573 56.778 56.287 -0.136 0.000 0.988 111 K CB 0.190 32.650 32.500 -0.066 0.000 0.783 111 K HN 0.564 nan 8.250 nan 0.000 0.484 112 Q N -0.992 118.630 119.800 -0.295 0.000 2.484 112 Q HA 0.509 4.849 4.340 0.000 0.000 0.285 112 Q C -1.100 174.592 176.000 -0.513 0.000 1.097 112 Q CA -0.640 55.027 55.803 -0.227 0.000 0.802 112 Q CB 1.534 30.214 28.738 -0.096 0.000 1.444 112 Q HN -0.111 nan 8.270 nan 0.000 0.429 113 F N -0.175 119.742 119.950 -0.054 0.000 2.593 113 F HA 0.919 5.446 4.527 0.000 0.000 0.320 113 F C -0.490 175.294 175.800 -0.027 0.000 1.060 113 F CA -0.925 57.044 58.000 -0.051 0.000 0.940 113 F CB 2.197 41.177 39.000 -0.033 0.000 1.268 113 F HN 0.605 nan 8.300 nan 0.000 0.475 114 A N 0.816 123.738 122.820 0.170 0.000 2.549 114 A HA 0.831 5.151 4.320 0.000 0.000 0.297 114 A C -1.330 176.307 177.584 0.089 0.000 1.061 114 A CA -0.723 51.375 52.037 0.102 0.000 0.690 114 A CB 1.038 20.075 19.000 0.062 0.000 1.287 114 A HN 1.065 nan 8.150 nan 0.000 0.402 115 A N 1.152 124.016 122.820 0.073 0.000 2.440 115 A HA 0.475 4.795 4.320 0.000 0.000 0.251 115 A C 1.087 178.699 177.584 0.046 0.000 1.089 115 A CA 0.193 52.271 52.037 0.068 0.000 0.779 115 A CB -0.405 18.640 19.000 0.074 0.000 1.022 115 A HN 1.710 nan 8.150 nan 0.000 0.492 116 I N -0.461 120.122 120.570 0.022 0.000 2.928 116 I HA 0.052 4.222 4.170 0.000 0.000 0.266 116 I C 0.227 176.254 176.117 -0.150 0.000 1.234 116 I CA 0.425 61.684 61.300 -0.068 0.000 1.483 116 I CB -0.297 37.634 38.000 -0.115 0.000 1.097 116 I HN 0.510 nan 8.210 nan 0.000 0.455 117 H N 2.378 121.461 119.070 0.022 0.000 2.473 117 H HA 0.798 5.354 4.556 0.000 0.000 0.327 117 H C -0.531 174.805 175.328 0.014 0.000 1.105 117 H CA -0.078 55.981 56.048 0.018 0.000 1.280 117 H CB 1.822 31.593 29.762 0.015 0.000 1.450 117 H HN 0.408 nan 8.280 nan 0.000 0.492 118 A N 3.052 125.946 122.820 0.124 0.000 2.605 118 A HA 0.263 4.583 4.320 0.000 0.000 0.294 118 A C -0.690 176.928 177.584 0.058 0.000 1.062 118 A CA -0.930 51.151 52.037 0.073 0.000 0.682 118 A CB 1.524 20.549 19.000 0.042 0.000 1.278 118 A HN 0.597 nan 8.150 nan 0.000 0.410 119 E N 0.863 121.089 120.200 0.044 0.000 2.383 119 E HA 0.444 4.794 4.350 0.000 0.000 0.264 119 E C 0.606 177.222 176.600 0.028 0.000 1.050 119 E CA 0.229 56.651 56.400 0.036 0.000 0.896 119 E CB 1.417 31.135 29.700 0.030 0.000 0.982 119 E HN 0.853 nan 8.360 nan 0.000 0.424 120 A N 4.102 126.938 122.820 0.028 0.000 2.386 120 A HA 0.320 4.640 4.320 0.000 0.000 0.248 120 A C -2.026 175.570 177.584 0.021 0.000 1.082 120 A CA -1.100 50.949 52.037 0.020 0.000 0.789 120 A CB -0.527 18.487 19.000 0.024 0.000 1.025 120 A HN 0.330 nan 8.150 nan 0.000 0.490 121 P HA 0.030 nan 4.420 nan 0.000 0.264 121 P C -0.080 177.235 177.300 0.024 0.000 1.179 121 P CA 0.310 63.414 63.100 0.007 0.000 0.763 121 P CB 0.351 32.044 31.700 -0.011 0.000 0.806 122 E N 1.539 121.759 120.200 0.033 0.000 2.392 122 E HA 0.004 4.354 4.350 0.000 0.000 0.256 122 E C 0.913 177.569 176.600 0.092 0.000 1.145 122 E CA -0.251 56.192 56.400 0.072 0.000 0.929 122 E CB 0.194 29.936 29.700 0.071 0.000 0.998 122 E HN 0.397 nan 8.360 nan 0.000 0.442 123 F N 1.844 121.793 119.950 -0.002 0.000 2.065 123 F HA -0.272 4.255 4.527 0.000 0.000 0.298 123 F C 2.046 177.843 175.800 -0.005 0.000 1.112 123 F CA 2.216 60.214 58.000 -0.003 0.000 1.212 123 F CB -0.275 38.723 39.000 -0.002 0.000 0.975 123 F HN 0.301 nan 8.300 nan 0.000 0.476 124 V N -2.053 117.953 119.914 0.154 0.000 2.759 124 V HA -0.196 3.924 4.120 0.000 0.000 0.256 124 V C 1.676 177.747 176.094 -0.038 0.000 1.080 124 V CA 2.022 64.352 62.300 0.050 0.000 1.101 124 V CB -1.061 30.821 31.823 0.098 0.000 0.698 124 V HN 0.455 nan 8.190 nan 0.000 0.477 125 E N -0.033 120.148 120.200 -0.032 0.000 2.358 125 E HA 0.089 4.439 4.350 0.000 0.000 0.195 125 E C 0.808 177.359 176.600 -0.083 0.000 1.010 125 E CA 0.030 56.404 56.400 -0.043 0.000 0.856 125 E CB -0.070 29.618 29.700 -0.020 0.000 0.795 125 E HN 0.466 nan 8.360 nan 0.000 0.504 126 M N 0.677 120.191 119.600 -0.143 0.000 2.250 126 M HA 0.036 4.516 4.480 0.000 0.000 0.325 126 M C 0.467 176.671 176.300 -0.159 0.000 1.084 126 M CA 0.231 55.426 55.300 -0.174 0.000 1.161 126 M CB 0.836 33.259 32.600 -0.294 0.000 1.481 126 M HN -0.183 nan 8.290 nan 0.000 0.449 127 S N 1.314 116.938 115.700 -0.127 0.000 2.422 127 S HA 0.379 4.849 4.470 0.000 0.000 0.308 127 S C 0.821 175.354 174.600 -0.110 0.000 1.097 127 S CA -0.917 57.221 58.200 -0.103 0.000 1.099 127 S CB 0.365 63.520 63.200 -0.075 0.000 0.976 127 S HN 0.536 nan 8.310 nan 0.000 0.471 128 V N 1.722 121.569 119.914 -0.110 0.000 3.541 128 V HA 0.292 4.413 4.120 0.000 0.000 0.272 128 V C 0.533 176.587 176.094 -0.066 0.000 1.215 128 V CA 0.374 62.615 62.300 -0.097 0.000 1.176 128 V CB -0.908 30.863 31.823 -0.088 0.000 0.854 128 V HN 0.645 nan 8.190 nan 0.000 0.496 129 E N 1.121 121.284 120.200 -0.061 0.000 2.283 129 E HA 0.509 4.860 4.350 0.000 0.000 0.271 129 E C -0.682 175.890 176.600 -0.046 0.000 1.031 129 E CA -0.239 56.133 56.400 -0.047 0.000 0.868 129 E CB 1.646 31.321 29.700 -0.041 0.000 1.094 129 E HN 0.592 nan 8.360 nan 0.000 0.401 130 Q N 1.600 121.377 119.800 -0.039 0.000 2.464 130 Q HA 0.256 4.596 4.340 0.000 0.000 0.256 130 Q C -0.900 175.081 176.000 -0.032 0.000 1.020 130 Q CA -0.228 55.553 55.803 -0.037 0.000 0.716 130 Q CB 1.472 30.188 28.738 -0.036 0.000 1.230 130 Q HN 0.315 nan 8.270 nan 0.000 0.494 131 E N 2.106 122.287 120.200 -0.032 0.000 2.207 131 E HA 0.398 4.748 4.350 0.000 0.000 0.270 131 E C -0.668 175.918 176.600 -0.022 0.000 0.927 131 E CA -0.837 55.548 56.400 -0.025 0.000 0.799 131 E CB 2.668 32.352 29.700 -0.026 0.000 1.172 131 E HN 0.490 nan 8.360 nan 0.000 0.404 132 I N 2.611 123.176 120.570 -0.009 0.000 2.529 132 I HA 0.066 4.236 4.170 0.000 0.000 0.284 132 I C -0.686 175.432 176.117 0.002 0.000 1.082 132 I CA -0.523 60.782 61.300 0.007 0.000 1.406 132 I CB 0.491 38.503 38.000 0.020 0.000 1.405 132 I HN 0.410 nan 8.210 nan 0.000 0.548 133 L N 9.194 130.421 121.223 0.006 0.000 2.315 133 L HA 0.304 4.644 4.340 0.000 0.000 0.278 133 L C -0.433 176.459 176.870 0.038 0.000 1.088 133 L CA -0.254 54.551 54.840 -0.058 0.000 0.899 133 L CB 0.516 42.533 42.059 -0.071 0.000 1.277 133 L HN 0.414 nan 8.230 nan 0.000 0.431 134 V N 3.654 123.635 119.914 0.113 0.000 2.720 134 V HA -0.023 4.097 4.120 0.000 0.000 0.307 134 V C 1.591 177.798 176.094 0.188 0.000 1.071 134 V CA 1.169 63.564 62.300 0.158 0.000 1.199 134 V CB 0.674 32.606 31.823 0.182 0.000 0.900 134 V HN 0.926 nan 8.190 nan 0.000 0.494 135 T N -0.279 114.300 114.554 0.042 0.000 2.985 135 T HA 0.323 4.673 4.350 0.000 0.000 0.254 135 T C 1.408 176.100 174.700 -0.015 0.000 1.021 135 T CA 0.905 63.000 62.100 -0.009 0.000 0.957 135 T CB 0.588 69.348 68.868 -0.181 0.000 1.047 135 T HN 1.655 nan 8.240 nan 0.000 0.511 136 G N 1.660 110.461 108.800 0.002 0.000 2.179 136 G HA2 -0.213 3.748 3.960 0.000 0.000 0.260 136 G HA3 -0.213 3.748 3.960 0.000 0.000 0.260 136 G C 0.043 174.959 174.900 0.027 0.000 0.977 136 G CA 0.228 45.333 45.100 0.008 0.000 0.641 136 G HN 0.659 nan 8.290 nan 0.000 0.533 137 I N 1.334 121.909 120.570 0.009 0.000 2.301 137 I HA 0.216 4.386 4.170 0.000 0.000 0.292 137 I C 1.646 177.780 176.117 0.027 0.000 1.046 137 I CA -0.629 60.707 61.300 0.060 0.000 1.282 137 I CB 1.176 39.195 38.000 0.031 0.000 1.409 137 I HN 0.032 nan 8.210 nan 0.000 0.484 138 K N 3.918 124.339 120.400 0.035 0.000 2.001 138 K HA -0.178 4.142 4.320 0.000 0.000 0.214 138 K C 1.841 178.436 176.600 -0.009 0.000 1.050 138 K CA 1.658 57.953 56.287 0.014 0.000 0.934 138 K CB -0.236 32.252 32.500 -0.020 0.000 0.718 138 K HN 0.577 nan 8.250 nan 0.000 0.443 139 V N 0.937 120.850 119.914 -0.002 0.000 2.278 139 V HA -0.273 3.847 4.120 0.000 0.000 0.251 139 V C 2.394 178.472 176.094 -0.027 0.000 1.062 139 V CA 1.909 64.193 62.300 -0.027 0.000 1.038 139 V CB -1.060 30.774 31.823 0.018 0.000 0.646 139 V HN 0.061 nan 8.190 nan 0.000 0.447 140 V N 0.682 120.584 119.914 -0.021 0.000 2.216 140 V HA -0.256 3.864 4.120 0.000 0.000 0.243 140 V C 2.487 178.563 176.094 -0.031 0.000 1.044 140 V CA 2.456 64.720 62.300 -0.059 0.000 0.995 140 V CB -0.916 30.766 31.823 -0.234 0.000 0.633 140 V HN 0.490 nan 8.190 nan 0.000 0.446 141 D N -0.043 120.337 120.400 -0.033 0.000 2.126 141 D HA -0.202 4.438 4.640 0.000 0.000 0.190 141 D C 1.936 178.329 176.300 0.156 0.000 1.001 141 D CA 1.833 55.864 54.000 0.053 0.000 0.841 141 D CB -0.446 40.382 40.800 0.047 0.000 0.949 141 D HN 0.362 nan 8.370 nan 0.000 0.446 142 L N 0.143 121.390 121.223 0.039 0.000 1.973 142 L HA -0.073 4.267 4.340 0.000 0.000 0.208 142 L C 2.190 179.124 176.870 0.107 0.000 1.073 142 L CA 1.534 56.367 54.840 -0.012 0.000 0.746 142 L CB -0.523 41.388 42.059 -0.245 0.000 0.891 142 L HN 0.003 nan 8.230 nan 0.000 0.433 143 L N -0.677 120.540 121.223 -0.010 0.000 2.209 143 L HA 0.205 4.545 4.340 0.000 0.000 0.207 143 L C 0.944 177.843 176.870 0.048 0.000 1.094 143 L CA 0.607 55.444 54.840 -0.006 0.000 0.790 143 L CB -0.332 41.687 42.059 -0.068 0.000 0.932 143 L HN 0.390 nan 8.230 nan 0.000 0.447 144 A N 0.033 122.897 122.820 0.073 0.000 3.453 144 A HA 0.402 4.722 4.320 0.000 0.000 0.262 144 A C -2.608 175.069 177.584 0.155 0.000 1.026 144 A CA -0.847 51.254 52.037 0.107 0.000 0.938 144 A CB -0.223 18.847 19.000 0.116 0.000 1.246 144 A HN -0.144 nan 8.150 nan 0.000 0.546 145 P HA 0.059 nan 4.420 nan 0.000 0.266 145 P C -0.809 176.641 177.300 0.250 0.000 1.195 145 P CA 0.530 63.709 63.100 0.132 0.000 0.768 145 P CB 0.374 32.110 31.700 0.061 0.000 0.838 146 Y N 1.084 121.392 120.300 0.013 0.000 2.359 146 Y HA 0.362 4.912 4.550 0.000 0.000 0.330 146 Y C 1.120 177.002 175.900 -0.030 0.000 1.143 146 Y CA -1.227 56.866 58.100 -0.011 0.000 1.318 146 Y CB 0.048 38.497 38.460 -0.019 0.000 1.234 146 Y HN 0.383 nan 8.280 nan 0.000 0.522 147 A N 4.063 126.935 122.820 0.086 0.000 2.305 147 A HA 0.453 4.773 4.320 0.000 0.000 0.322 147 A C -0.089 177.484 177.584 -0.019 0.000 1.187 147 A CA -1.059 50.988 52.037 0.017 0.000 0.825 147 A CB 0.375 19.370 19.000 -0.008 0.000 1.164 147 A HN 0.745 nan 8.150 nan 0.000 0.498 148 K N 1.005 121.383 120.400 -0.037 0.000 2.436 148 K HA 0.362 4.682 4.320 0.000 0.000 0.282 148 K C 1.219 177.780 176.600 -0.065 0.000 1.044 148 K CA 1.576 57.824 56.287 -0.066 0.000 1.028 148 K CB 0.102 32.553 32.500 -0.081 0.000 0.919 148 K HN 1.492 nan 8.250 nan 0.000 0.474 149 G N 2.291 111.047 108.800 -0.074 0.000 2.176 149 G HA2 -0.228 3.732 3.960 0.000 0.000 0.253 149 G HA3 -0.228 3.732 3.960 0.000 0.000 0.253 149 G C 0.413 175.270 174.900 -0.073 0.000 0.979 149 G CA -0.129 44.929 45.100 -0.071 0.000 0.641 149 G HN 0.891 nan 8.290 nan 0.000 0.530 150 G N -0.587 108.164 108.800 -0.082 0.000 2.535 150 G HA2 0.608 4.568 3.960 0.000 0.000 0.303 150 G HA3 0.608 4.568 3.960 0.000 0.000 0.303 150 G C -0.368 174.453 174.900 -0.132 0.000 1.237 150 G CA -0.474 44.574 45.100 -0.086 0.000 0.986 150 G HN 0.359 nan 8.290 nan 0.000 0.494 151 K N -0.674 119.651 120.400 -0.125 0.000 2.292 151 K HA 0.524 4.844 4.320 0.000 0.000 0.257 151 K C -1.026 175.452 176.600 -0.204 0.000 0.940 151 K CA -0.311 55.877 56.287 -0.164 0.000 0.811 151 K CB 1.899 34.337 32.500 -0.103 0.000 1.120 151 K HN 0.248 nan 8.250 nan 0.000 0.428 152 I N 1.639 122.030 120.570 -0.299 0.000 2.406 152 I HA 0.344 4.514 4.170 0.000 0.000 0.290 152 I C 0.430 176.409 176.117 -0.229 0.000 0.999 152 I CA -0.466 60.641 61.300 -0.322 0.000 1.124 152 I CB 2.126 39.735 38.000 -0.652 0.000 1.289 152 I HN 0.585 nan 8.210 nan 0.000 0.441 153 G N 6.028 114.744 108.800 -0.139 0.000 2.327 153 G HA2 0.520 4.480 3.960 0.000 0.000 0.302 153 G HA3 0.520 4.480 3.960 0.000 0.000 0.302 153 G C -0.991 173.835 174.900 -0.123 0.000 1.113 153 G CA -0.392 44.580 45.100 -0.214 0.000 0.921 153 G HN 0.465 nan 8.290 nan 0.000 0.425 154 L N 3.833 124.925 121.223 -0.218 0.000 2.259 154 L HA 0.629 4.969 4.340 0.000 0.000 0.288 154 L C -1.041 175.731 176.870 -0.164 0.000 1.051 154 L CA -0.911 53.900 54.840 -0.048 0.000 0.824 154 L CB -0.143 41.931 42.059 0.025 0.000 1.206 154 L HN 0.330 nan 8.230 nan 0.000 0.429 155 F N 3.203 123.182 119.950 0.047 0.000 2.399 155 F HA 0.770 5.297 4.527 0.000 0.000 0.328 155 F C 1.035 176.874 175.800 0.065 0.000 1.084 155 F CA -0.228 57.800 58.000 0.047 0.000 1.053 155 F CB 1.731 40.757 39.000 0.044 0.000 1.209 155 F HN 0.643 nan 8.300 nan 0.000 0.502 156 G N 1.225 110.167 108.800 0.238 0.000 3.380 156 G HA2 0.265 4.225 3.960 0.000 0.000 0.685 156 G HA3 0.265 4.225 3.960 0.000 0.000 0.685 156 G C 0.052 175.027 174.900 0.126 0.000 1.136 156 G CA -0.674 44.525 45.100 0.165 0.000 1.011 156 G HN 1.114 nan 8.290 nan 0.000 0.471 157 G N 1.204 110.073 108.800 0.115 0.000 2.597 157 G HA2 0.737 4.697 3.960 0.000 0.000 0.194 157 G HA3 0.737 4.697 3.960 0.000 0.000 0.194 157 G C 1.184 176.135 174.900 0.085 0.000 1.625 157 G CA 0.773 45.935 45.100 0.102 0.000 1.050 157 G HN 2.160 nan 8.290 nan 0.000 0.531 158 A N -2.560 120.302 122.820 0.070 0.000 2.296 158 A HA 0.544 4.864 4.320 0.000 0.000 0.264 158 A C 1.535 179.150 177.584 0.052 0.000 1.097 158 A CA 1.046 53.115 52.037 0.053 0.000 0.811 158 A CB -0.153 18.871 19.000 0.039 0.000 1.072 158 A HN 2.426 nan 8.150 nan 0.000 0.495 159 G N -1.714 107.109 108.800 0.038 0.000 2.176 159 G HA2 -0.152 3.808 3.960 0.000 0.000 0.253 159 G HA3 -0.152 3.808 3.960 0.000 0.000 0.253 159 G C 0.575 175.507 174.900 0.053 0.000 0.979 159 G CA 1.001 46.123 45.100 0.037 0.000 0.641 159 G HN 2.219 nan 8.290 nan 0.000 0.530 160 V N -2.845 117.109 119.914 0.068 0.000 3.006 160 V HA 0.699 4.819 4.120 0.000 0.000 0.357 160 V C 1.468 177.621 176.094 0.099 0.000 1.377 160 V CA 0.591 62.948 62.300 0.094 0.000 1.198 160 V CB -0.076 31.811 31.823 0.108 0.000 1.216 160 V HN 2.126 nan 8.190 nan 0.000 0.520 161 G N 1.285 110.120 108.800 0.059 0.000 2.198 161 G HA2 -0.344 3.616 3.960 0.000 0.000 0.257 161 G HA3 -0.344 3.616 3.960 0.000 0.000 0.257 161 G C 0.833 175.783 174.900 0.084 0.000 1.042 161 G CA 0.904 46.033 45.100 0.049 0.000 0.791 161 G HN 0.677 nan 8.290 nan 0.000 0.502 162 K N -0.123 120.325 120.400 0.078 0.000 1.985 162 K HA -0.151 4.169 4.320 0.000 0.000 0.210 162 K C 2.982 179.623 176.600 0.069 0.000 1.047 162 K CA 2.346 58.690 56.287 0.096 0.000 0.932 162 K CB -0.526 32.032 32.500 0.096 0.000 0.716 162 K HN 0.613 nan 8.250 nan 0.000 0.439 163 T N -1.135 113.435 114.554 0.027 0.000 2.737 163 T HA -0.128 4.222 4.350 0.000 0.000 0.269 163 T C 1.973 176.656 174.700 -0.027 0.000 1.040 163 T CA 1.634 63.724 62.100 -0.017 0.000 1.142 163 T CB -0.598 68.242 68.868 -0.046 0.000 0.861 163 T HN 0.048 nan 8.240 nan 0.000 0.456 164 V N 1.017 120.932 119.914 0.001 0.000 2.591 164 V HA 0.050 4.170 4.120 0.000 0.000 0.249 164 V C 2.489 178.607 176.094 0.040 0.000 1.053 164 V CA 1.204 63.521 62.300 0.028 0.000 1.068 164 V CB -0.566 31.290 31.823 0.055 0.000 0.689 164 V HN 0.409 nan 8.190 nan 0.000 0.462 165 L N 0.034 121.307 121.223 0.083 0.000 2.056 165 L HA -0.092 4.248 4.340 0.000 0.000 0.207 165 L C 2.131 179.024 176.870 0.039 0.000 1.078 165 L CA 1.878 56.762 54.840 0.074 0.000 0.749 165 L CB -0.442 41.722 42.059 0.175 0.000 0.901 165 L HN 0.207 nan 8.230 nan 0.000 0.433 166 I N -1.073 119.513 120.570 0.027 0.000 2.142 166 I HA -0.358 3.812 4.170 0.000 0.000 0.240 166 I C 2.503 178.511 176.117 -0.180 0.000 1.078 166 I CA 1.831 63.051 61.300 -0.133 0.000 1.343 166 I CB -0.329 37.474 38.000 -0.329 0.000 1.046 166 I HN 0.287 nan 8.210 nan 0.000 0.405 167 M N -0.147 119.369 119.600 -0.140 0.000 2.108 167 M HA -0.248 4.232 4.480 0.000 0.000 0.261 167 M C 2.277 178.534 176.300 -0.072 0.000 1.066 167 M CA 1.811 57.051 55.300 -0.099 0.000 1.107 167 M CB -0.556 32.007 32.600 -0.062 0.000 1.356 167 M HN 0.148 nan 8.290 nan 0.000 0.406 168 E N 0.955 121.074 120.200 -0.135 0.000 2.106 168 E HA -0.092 4.258 4.350 0.000 0.000 0.192 168 E C 1.843 178.352 176.600 -0.152 0.000 0.984 168 E CA 1.011 57.265 56.400 -0.244 0.000 0.806 168 E CB -0.218 29.065 29.700 -0.695 0.000 0.750 168 E HN 0.445 nan 8.360 nan 0.000 0.458 169 L N 0.009 121.208 121.223 -0.040 0.000 2.083 169 L HA -0.161 4.179 4.340 0.000 0.000 0.209 169 L C 2.311 179.282 176.870 0.169 0.000 1.083 169 L CA 0.900 55.805 54.840 0.107 0.000 0.752 169 L CB -0.355 41.895 42.059 0.320 0.000 0.899 169 L HN 0.236 nan 8.230 nan 0.000 0.433 170 I N -0.044 120.642 120.570 0.193 0.000 2.058 170 I HA -0.375 3.795 4.170 0.000 0.000 0.235 170 I C 2.328 178.501 176.117 0.095 0.000 1.053 170 I CA 1.908 63.316 61.300 0.179 0.000 1.313 170 I CB -0.475 37.593 38.000 0.113 0.000 1.039 170 I HN 0.331 nan 8.210 nan 0.000 0.396 171 N N 1.162 119.885 118.700 0.039 0.000 2.036 171 N HA -0.284 4.456 4.740 0.000 0.000 0.199 171 N C 1.599 177.115 175.510 0.009 0.000 1.036 171 N CA 2.390 55.450 53.050 0.016 0.000 0.870 171 N CB -0.176 38.304 38.487 -0.011 0.000 1.055 171 N HN 0.214 nan 8.380 nan 0.000 0.436 172 N N -0.477 118.218 118.700 -0.009 0.000 2.104 172 N HA -0.105 4.635 4.740 0.000 0.000 0.190 172 N C 1.652 177.161 175.510 -0.002 0.000 1.024 172 N CA 1.031 54.069 53.050 -0.022 0.000 0.853 172 N CB -0.571 37.892 38.487 -0.040 0.000 1.008 172 N HN 0.131 nan 8.380 nan 0.000 0.424 173 V N 0.954 120.914 119.914 0.076 0.000 2.515 173 V HA -0.135 3.985 4.120 0.000 0.000 0.250 173 V C 2.221 178.363 176.094 0.080 0.000 1.058 173 V CA 1.594 63.995 62.300 0.168 0.000 1.064 173 V CB -0.857 31.081 31.823 0.192 0.000 0.675 173 V HN 0.314 nan 8.190 nan 0.000 0.461 174 A N -0.299 122.547 122.820 0.043 0.000 1.898 174 A HA -0.199 4.121 4.320 0.000 0.000 0.216 174 A C 2.225 179.789 177.584 -0.034 0.000 1.181 174 A CA 1.898 53.941 52.037 0.011 0.000 0.620 174 A CB -0.385 18.649 19.000 0.057 0.000 0.819 174 A HN 0.446 nan 8.150 nan 0.000 0.442 175 K N 0.039 120.412 120.400 -0.046 0.000 1.973 175 K HA 0.067 4.387 4.320 0.000 0.000 0.212 175 K C 1.993 178.509 176.600 -0.141 0.000 1.047 175 K CA 1.660 57.903 56.287 -0.074 0.000 0.937 175 K CB -0.538 31.924 32.500 -0.064 0.000 0.721 175 K HN 0.369 nan 8.250 nan 0.000 0.440 176 A N -0.187 122.476 122.820 -0.263 0.000 2.238 176 A HA -0.031 4.289 4.320 0.000 0.000 0.208 176 A C 0.700 177.829 177.584 -0.757 0.000 1.177 176 A CA 0.945 52.682 52.037 -0.501 0.000 0.804 176 A CB -0.276 18.343 19.000 -0.635 0.000 0.823 176 A HN 0.358 nan 8.150 nan 0.000 0.482 177 H N -2.767 116.282 119.070 -0.036 0.000 3.876 177 H HA 0.202 4.758 4.556 0.000 0.000 0.262 177 H C 1.520 176.797 175.328 -0.085 0.000 1.158 177 H CA 0.358 56.377 56.048 -0.049 0.000 1.170 177 H CB 0.115 29.853 29.762 -0.040 0.000 1.528 177 H HN 0.564 nan 8.280 nan 0.000 0.689 178 G N 1.314 110.093 108.800 -0.035 0.000 2.175 178 G HA2 -0.257 3.703 3.960 0.000 0.000 0.265 178 G HA3 -0.257 3.703 3.960 0.000 0.000 0.265 178 G C 0.772 175.512 174.900 -0.267 0.000 0.979 178 G CA 0.488 45.508 45.100 -0.133 0.000 0.663 178 G HN 0.699 nan 8.290 nan 0.000 0.533 179 G N -0.991 107.714 108.800 -0.158 0.000 2.400 179 G HA2 0.608 4.568 3.960 0.000 0.000 0.301 179 G HA3 0.608 4.568 3.960 0.000 0.000 0.301 179 G C -0.190 174.585 174.900 -0.209 0.000 1.154 179 G CA -0.654 44.316 45.100 -0.216 0.000 0.852 179 G HN 0.159 nan 8.290 nan 0.000 0.511 180 Y N 0.031 120.228 120.300 -0.172 0.000 2.436 180 Y HA 0.645 5.195 4.550 0.000 0.000 0.336 180 Y C 1.022 176.867 175.900 -0.092 0.000 1.318 180 Y CA -1.036 56.926 58.100 -0.230 0.000 1.493 180 Y CB 1.363 39.457 38.460 -0.610 0.000 1.547 180 Y HN 0.454 nan 8.280 nan 0.000 0.549 181 S N -0.681 115.120 115.700 0.169 0.000 2.632 181 S HA 0.802 5.272 4.470 0.000 0.000 0.289 181 S C -1.535 173.200 174.600 0.225 0.000 1.115 181 S CA -0.793 57.539 58.200 0.221 0.000 0.889 181 S CB 2.166 65.563 63.200 0.329 0.000 1.116 181 S HN 0.244 nan 8.310 nan 0.000 0.486 182 V N 2.095 122.182 119.914 0.289 0.000 2.612 182 V HA 0.455 4.575 4.120 0.000 0.000 0.301 182 V C -1.563 174.734 176.094 0.338 0.000 1.059 182 V CA -0.593 61.867 62.300 0.268 0.000 0.886 182 V CB 1.456 33.406 31.823 0.212 0.000 1.007 182 V HN 0.839 nan 8.190 nan 0.000 0.426 183 F N 4.519 124.576 119.950 0.178 0.000 2.385 183 F HA 0.773 5.300 4.527 0.000 0.000 0.360 183 F C 0.415 176.314 175.800 0.165 0.000 1.122 183 F CA -0.580 57.529 58.000 0.182 0.000 1.090 183 F CB 1.085 40.143 39.000 0.097 0.000 1.150 183 F HN 0.578 nan 8.300 nan 0.000 0.472 184 A N 4.910 127.618 122.820 -0.187 0.000 2.273 184 A HA 0.587 4.907 4.320 0.000 0.000 0.320 184 A C 0.248 177.718 177.584 -0.191 0.000 1.358 184 A CA -0.290 51.706 52.037 -0.068 0.000 0.910 184 A CB -0.149 18.801 19.000 -0.083 0.000 1.159 184 A HN 1.001 nan 8.150 nan 0.000 0.526 185 G N 1.899 110.804 108.800 0.175 0.000 2.546 185 G HA2 0.460 4.420 3.960 0.000 0.000 0.320 185 G HA3 0.460 4.420 3.960 0.000 0.000 0.320 185 G C -0.272 174.679 174.900 0.085 0.000 0.984 185 G CA -0.167 45.038 45.100 0.175 0.000 1.183 185 G HN 0.622 nan 8.290 nan 0.000 0.443 186 V N 2.713 122.644 119.914 0.028 0.000 2.356 186 V HA 0.515 4.635 4.120 0.000 0.000 0.258 186 V C 1.313 177.429 176.094 0.037 0.000 1.065 186 V CA 0.725 63.053 62.300 0.048 0.000 0.935 186 V CB 0.302 32.164 31.823 0.064 0.000 1.061 186 V HN 1.260 nan 8.190 nan 0.000 0.484 187 G N 3.336 112.152 108.800 0.026 0.000 2.204 187 G HA2 -0.176 3.784 3.960 0.000 0.000 0.244 187 G HA3 -0.176 3.784 3.960 0.000 0.000 0.244 187 G C -0.030 174.860 174.900 -0.017 0.000 1.062 187 G CA -0.450 44.655 45.100 0.007 0.000 0.798 187 G HN 0.598 nan 8.290 nan 0.000 0.496 188 E N 0.365 120.535 120.200 -0.050 0.000 2.465 188 E HA 0.112 4.462 4.350 0.000 0.000 0.260 188 E C 1.146 177.678 176.600 -0.112 0.000 0.980 188 E CA 0.124 56.444 56.400 -0.133 0.000 0.927 188 E CB 0.399 29.876 29.700 -0.372 0.000 0.934 188 E HN 0.523 nan 8.360 nan 0.000 0.459 189 R N 2.275 122.718 120.500 -0.094 0.000 2.267 189 R HA 0.098 4.438 4.340 0.000 0.000 0.319 189 R C 1.358 177.610 176.300 -0.081 0.000 1.067 189 R CA -0.169 55.892 56.100 -0.064 0.000 0.936 189 R CB 0.345 30.621 30.300 -0.040 0.000 1.006 189 R HN 0.462 nan 8.270 nan 0.000 0.452 190 T N 2.210 116.733 114.554 -0.051 0.000 2.653 190 T HA -0.275 4.075 4.350 0.000 0.000 0.268 190 T C 1.776 176.467 174.700 -0.015 0.000 1.035 190 T CA 1.655 63.736 62.100 -0.031 0.000 1.154 190 T CB -0.172 68.697 68.868 0.001 0.000 0.862 190 T HN 0.575 nan 8.240 nan 0.000 0.441 191 R N 1.050 121.546 120.500 -0.006 0.000 2.083 191 R HA -0.153 4.187 4.340 0.000 0.000 0.237 191 R C 2.245 178.550 176.300 0.008 0.000 1.137 191 R CA 1.934 58.041 56.100 0.012 0.000 0.951 191 R CB -0.189 30.116 30.300 0.009 0.000 0.851 191 R HN 0.518 nan 8.270 nan 0.000 0.434 192 E N -1.186 118.999 120.200 -0.024 0.000 2.274 192 E HA -0.078 4.272 4.350 0.000 0.000 0.194 192 E C 1.772 178.328 176.600 -0.073 0.000 0.996 192 E CA 0.807 57.184 56.400 -0.038 0.000 0.840 192 E CB -0.010 29.662 29.700 -0.047 0.000 0.772 192 E HN 0.603 nan 8.360 nan 0.000 0.491 193 G N 1.225 109.951 108.800 -0.124 0.000 2.403 193 G HA2 -0.292 3.668 3.960 0.000 0.000 0.216 193 G HA3 -0.292 3.668 3.960 0.000 0.000 0.216 193 G C 1.418 176.377 174.900 0.098 0.000 1.154 193 G CA 0.772 45.766 45.100 -0.177 0.000 0.784 193 G HN 0.191 nan 8.290 nan 0.000 0.538 194 N N 0.701 119.462 118.700 0.100 0.000 2.142 194 N HA -0.100 4.640 4.740 0.000 0.000 0.186 194 N C 1.658 177.309 175.510 0.235 0.000 1.023 194 N CA 1.647 54.806 53.050 0.181 0.000 0.852 194 N CB -0.070 38.527 38.487 0.183 0.000 0.998 194 N HN 0.110 nan 8.380 nan 0.000 0.424 195 D N 0.020 120.515 120.400 0.157 0.000 2.117 195 D HA -0.122 4.518 4.640 0.000 0.000 0.198 195 D C 1.916 178.267 176.300 0.086 0.000 0.982 195 D CA 0.515 54.599 54.000 0.141 0.000 0.828 195 D CB -0.400 40.443 40.800 0.070 0.000 0.967 195 D HN 0.269 nan 8.370 nan 0.000 0.464 196 L N 0.257 121.495 121.223 0.026 0.000 2.083 196 L HA -0.192 4.148 4.340 0.000 0.000 0.209 196 L C 2.243 179.111 176.870 -0.003 0.000 1.083 196 L CA 1.429 56.239 54.840 -0.050 0.000 0.752 196 L CB -0.716 41.233 42.059 -0.183 0.000 0.899 196 L HN -0.019 nan 8.230 nan 0.000 0.433 197 Y N 0.056 120.291 120.300 -0.108 0.000 2.128 197 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 197 Y C 2.535 178.300 175.900 -0.225 0.000 1.154 197 Y CA 2.337 60.317 58.100 -0.199 0.000 1.149 197 Y CB -0.657 37.635 38.460 -0.279 0.000 0.976 197 Y HN 0.461 nan 8.280 nan 0.000 0.505 198 H N -0.959 118.070 119.070 -0.067 0.000 2.462 198 H HA -0.030 4.526 4.556 0.000 0.000 0.292 198 H C 2.056 177.326 175.328 -0.096 0.000 1.049 198 H CA 1.278 57.231 56.048 -0.158 0.000 1.334 198 H CB 0.080 29.805 29.762 -0.063 0.000 1.404 198 H HN 0.421 nan 8.280 nan 0.000 0.544 199 E N 0.074 120.305 120.200 0.051 0.000 2.152 199 E HA -0.120 4.231 4.350 0.000 0.000 0.192 199 E C 1.737 178.341 176.600 0.007 0.000 0.983 199 E CA 0.698 57.129 56.400 0.051 0.000 0.818 199 E CB 0.117 29.836 29.700 0.032 0.000 0.758 199 E HN 0.475 nan 8.360 nan 0.000 0.467 200 M N -0.117 119.448 119.600 -0.058 0.000 2.236 200 M HA -0.065 4.415 4.480 0.000 0.000 0.266 200 M C 2.058 178.306 176.300 -0.088 0.000 1.070 200 M CA 1.028 56.284 55.300 -0.074 0.000 1.137 200 M CB 0.057 32.602 32.600 -0.093 0.000 1.378 200 M HN 0.120 nan 8.290 nan 0.000 0.426 201 I N -0.095 120.384 120.570 -0.151 0.000 2.252 201 I HA -0.281 3.889 4.170 0.000 0.000 0.245 201 I C 2.464 178.532 176.117 -0.082 0.000 1.102 201 I CA 1.387 62.592 61.300 -0.158 0.000 1.385 201 I CB -0.468 37.375 38.000 -0.262 0.000 1.064 201 I HN 0.374 nan 8.210 nan 0.000 0.414 202 E N 0.844 121.016 120.200 -0.047 0.000 2.150 202 E HA -0.227 4.123 4.350 0.000 0.000 0.193 202 E C 2.125 178.711 176.600 -0.024 0.000 0.985 202 E CA 1.535 57.918 56.400 -0.029 0.000 0.814 202 E CB 0.077 29.785 29.700 0.014 0.000 0.752 202 E HN 0.485 nan 8.360 nan 0.000 0.466 203 S N -1.524 114.181 115.700 0.009 0.000 2.558 203 S HA 0.187 4.657 4.470 0.000 0.000 0.217 203 S C 1.539 176.137 174.600 -0.003 0.000 0.975 203 S CA 0.767 58.984 58.200 0.028 0.000 0.912 203 S CB 0.533 63.775 63.200 0.069 0.000 0.776 203 S HN 0.496 nan 8.310 nan 0.000 0.526 204 G N 0.903 109.688 108.800 -0.025 0.000 2.299 204 G HA2 -0.387 3.573 3.960 0.000 0.000 0.237 204 G HA3 -0.387 3.573 3.960 0.000 0.000 0.237 204 G C 1.061 175.945 174.900 -0.027 0.000 1.027 204 G CA 0.520 45.603 45.100 -0.028 0.000 0.619 204 G HN 1.409 nan 8.290 nan 0.000 0.513 205 V N -0.810 119.090 119.914 -0.022 0.000 2.794 205 V HA 0.258 4.378 4.120 0.000 0.000 0.260 205 V C 1.292 177.366 176.094 -0.034 0.000 1.103 205 V CA 1.783 64.072 62.300 -0.020 0.000 1.125 205 V CB -0.518 31.293 31.823 -0.019 0.000 0.702 205 V HN 0.570 nan 8.190 nan 0.000 0.494 206 I N 1.168 121.708 120.570 -0.050 0.000 2.509 206 I HA 0.508 4.678 4.170 0.000 0.000 0.293 206 I C -0.623 175.455 176.117 -0.066 0.000 1.020 206 I CA -0.380 60.884 61.300 -0.061 0.000 1.088 206 I CB 1.911 39.866 38.000 -0.076 0.000 1.267 206 I HN 0.106 nan 8.210 nan 0.000 0.430 207 N N 6.284 124.951 118.700 -0.055 0.000 2.461 207 N HA 0.362 5.102 4.740 0.000 0.000 0.284 207 N C -0.149 175.337 175.510 -0.040 0.000 1.049 207 N CA -0.436 52.585 53.050 -0.048 0.000 0.889 207 N CB 1.991 40.456 38.487 -0.036 0.000 1.365 207 N HN 0.581 nan 8.380 nan 0.000 0.499 208 L N 2.080 123.278 121.223 -0.041 0.000 2.554 208 L HA 0.110 4.450 4.340 0.000 0.000 0.226 208 L C 1.412 178.273 176.870 -0.015 0.000 1.137 208 L CA 0.482 55.308 54.840 -0.022 0.000 0.863 208 L CB 0.053 42.098 42.059 -0.023 0.000 0.985 208 L HN 0.311 nan 8.230 nan 0.000 0.451 209 K N 0.226 120.615 120.400 -0.019 0.000 2.157 209 K HA 0.057 4.377 4.320 0.000 0.000 0.207 209 K C 0.475 177.068 176.600 -0.013 0.000 1.030 209 K CA 0.594 56.873 56.287 -0.014 0.000 0.965 209 K CB -0.032 32.459 32.500 -0.015 0.000 0.877 209 K HN 0.277 nan 8.250 nan 0.000 0.460 210 D N -1.245 119.146 120.400 -0.015 0.000 2.529 210 D HA 0.352 4.992 4.640 0.000 0.000 0.273 210 D C -0.311 175.979 176.300 -0.017 0.000 1.197 210 D CA -0.650 53.343 54.000 -0.012 0.000 1.070 210 D CB 0.703 41.498 40.800 -0.008 0.000 1.134 210 D HN 0.040 nan 8.370 nan 0.000 0.590 211 A N -0.649 122.163 122.820 -0.013 0.000 2.579 211 A HA 0.236 4.556 4.320 0.000 0.000 0.273 211 A C 1.158 178.726 177.584 -0.026 0.000 1.363 211 A CA 0.191 52.215 52.037 -0.021 0.000 0.953 211 A CB -1.275 17.719 19.000 -0.010 0.000 1.034 211 A HN 0.594 nan 8.150 nan 0.000 0.536 212 T N -2.985 111.555 114.554 -0.022 0.000 3.107 212 T HA 0.133 4.483 4.350 0.000 0.000 0.249 212 T C 0.699 175.375 174.700 -0.040 0.000 1.096 212 T CA 0.255 62.347 62.100 -0.013 0.000 1.012 212 T CB -0.411 68.458 68.868 0.001 0.000 0.977 212 T HN 0.187 nan 8.240 nan 0.000 0.527 213 S N 1.912 117.568 115.700 -0.074 0.000 2.558 213 S HA 0.125 4.595 4.470 0.000 0.000 0.293 213 S C 0.996 175.497 174.600 -0.165 0.000 1.292 213 S CA -0.226 57.916 58.200 -0.095 0.000 1.063 213 S CB 0.724 63.867 63.200 -0.096 0.000 0.831 213 S HN 0.518 nan 8.310 nan 0.000 0.499 214 K N 0.801 121.141 120.400 -0.099 0.000 2.354 214 K HA 0.156 4.477 4.320 0.000 0.000 0.194 214 K C 0.026 176.580 176.600 -0.076 0.000 1.038 214 K CA 0.139 56.385 56.287 -0.068 0.000 1.052 214 K CB 0.435 32.974 32.500 0.066 0.000 0.861 214 K HN 0.549 nan 8.250 nan 0.000 0.535 215 V N -1.902 117.974 119.914 -0.064 0.000 2.789 215 V HA 0.780 4.900 4.120 0.000 0.000 0.311 215 V C -0.934 175.160 176.094 0.001 0.000 1.073 215 V CA -1.397 60.905 62.300 0.004 0.000 0.921 215 V CB 1.636 33.492 31.823 0.056 0.000 1.009 215 V HN -0.014 nan 8.190 nan 0.000 0.426 216 A N 5.342 128.198 122.820 0.059 0.000 2.276 216 A HA 0.867 5.187 4.320 0.000 0.000 0.316 216 A C -0.503 177.133 177.584 0.086 0.000 1.229 216 A CA -0.660 51.414 52.037 0.062 0.000 0.851 216 A CB 0.623 19.694 19.000 0.118 0.000 1.165 216 A HN 0.974 nan 8.150 nan 0.000 0.513 217 L N 2.707 123.933 121.223 0.006 0.000 2.309 217 L HA 0.655 4.995 4.340 0.000 0.000 0.282 217 L C -0.845 175.966 176.870 -0.099 0.000 1.036 217 L CA -0.882 53.947 54.840 -0.019 0.000 0.806 217 L CB 1.786 43.708 42.059 -0.228 0.000 1.220 217 L HN 0.413 nan 8.230 nan 0.000 0.429 218 V N 2.304 122.241 119.914 0.039 0.000 2.525 218 V HA 0.433 4.553 4.120 0.000 0.000 0.299 218 V C -1.080 175.184 176.094 0.283 0.000 1.034 218 V CA -0.716 61.613 62.300 0.049 0.000 0.863 218 V CB 1.661 33.531 31.823 0.077 0.000 0.999 218 V HN 0.366 nan 8.190 nan 0.000 0.423 219 Y N 1.745 122.079 120.300 0.057 0.000 2.409 219 Y HA 0.783 5.333 4.550 0.000 0.000 0.339 219 Y C 0.746 176.669 175.900 0.038 0.000 1.033 219 Y CA -1.797 56.338 58.100 0.059 0.000 1.094 219 Y CB 2.429 40.908 38.460 0.031 0.000 1.210 219 Y HN 0.692 nan 8.280 nan 0.000 0.456 220 G N 3.155 112.072 108.800 0.195 0.000 3.749 220 G HA2 0.353 4.313 3.960 0.000 0.000 0.339 220 G HA3 0.353 4.313 3.960 0.000 0.000 0.339 220 G C -0.704 174.232 174.900 0.061 0.000 1.513 220 G CA -0.637 44.526 45.100 0.104 0.000 1.035 220 G HN 0.567 nan 8.290 nan 0.000 0.480 221 Q N 1.137 120.971 119.800 0.057 0.000 2.432 221 Q HA 0.145 4.485 4.340 0.000 0.000 0.264 221 Q C 1.536 177.540 176.000 0.007 0.000 1.035 221 Q CA -0.025 55.786 55.803 0.014 0.000 0.908 221 Q CB 1.367 30.119 28.738 0.023 0.000 1.280 221 Q HN 0.521 nan 8.270 nan 0.000 0.455 222 M N 1.619 121.214 119.600 -0.008 0.000 2.267 222 M HA -0.208 4.272 4.480 0.000 0.000 0.263 222 M C 1.292 177.590 176.300 -0.002 0.000 1.063 222 M CA 1.692 56.989 55.300 -0.007 0.000 1.090 222 M CB -0.366 32.226 32.600 -0.013 0.000 1.392 222 M HN 0.697 nan 8.290 nan 0.000 0.422 223 N N -0.480 118.221 118.700 0.001 0.000 2.398 223 N HA 0.015 4.755 4.740 0.000 0.000 0.188 223 N C -0.327 175.186 175.510 0.007 0.000 1.122 223 N CA -0.161 52.891 53.050 0.003 0.000 0.866 223 N CB 0.156 38.646 38.487 0.004 0.000 0.970 223 N HN 0.360 nan 8.380 nan 0.000 0.462 224 E N 1.530 121.736 120.200 0.010 0.000 2.318 224 E HA 0.254 4.604 4.350 0.000 0.000 0.265 224 E C -2.257 174.347 176.600 0.007 0.000 1.069 224 E CA -2.328 54.080 56.400 0.012 0.000 0.893 224 E CB 0.691 30.404 29.700 0.021 0.000 1.076 224 E HN 0.166 nan 8.360 nan 0.000 0.414 225 P HA -0.012 nan 4.420 nan 0.000 0.271 225 P C -2.112 175.187 177.300 -0.002 0.000 1.233 225 P CA -1.112 61.989 63.100 0.001 0.000 0.789 225 P CB -0.046 31.657 31.700 0.003 0.000 0.951 226 P HA -0.208 nan 4.420 nan 0.000 0.216 226 P C 1.678 178.968 177.300 -0.018 0.000 1.154 226 P CA 2.163 65.249 63.100 -0.023 0.000 0.865 226 P CB -0.741 30.939 31.700 -0.033 0.000 0.789 227 G N 0.222 109.019 108.800 -0.005 0.000 2.446 227 G HA2 -0.247 3.713 3.960 0.000 0.000 0.217 227 G HA3 -0.247 3.713 3.960 0.000 0.000 0.217 227 G C 1.784 176.696 174.900 0.019 0.000 1.168 227 G CA 1.263 46.368 45.100 0.008 0.000 0.771 227 G HN 0.390 nan 8.290 nan 0.000 0.551 228 A N 0.645 123.478 122.820 0.021 0.000 1.873 228 A HA 0.022 4.342 4.320 0.000 0.000 0.215 228 A C 2.414 180.019 177.584 0.034 0.000 1.186 228 A CA 1.617 53.672 52.037 0.030 0.000 0.616 228 A CB -0.427 18.591 19.000 0.030 0.000 0.823 228 A HN 0.330 nan 8.150 nan 0.000 0.442 229 R N -0.661 119.853 120.500 0.023 0.000 2.159 229 R HA -0.091 4.249 4.340 0.000 0.000 0.237 229 R C 2.275 178.596 176.300 0.036 0.000 1.131 229 R CA 1.079 57.195 56.100 0.027 0.000 0.982 229 R CB -0.328 29.974 30.300 0.005 0.000 0.868 229 R HN 0.542 nan 8.270 nan 0.000 0.453 230 A N 0.458 123.283 122.820 0.008 0.000 1.970 230 A HA -0.039 4.281 4.320 0.000 0.000 0.216 230 A C 1.783 179.419 177.584 0.086 0.000 1.170 230 A CA 0.797 52.826 52.037 -0.012 0.000 0.645 230 A CB 0.056 19.011 19.000 -0.076 0.000 0.816 230 A HN 0.048 nan 8.150 nan 0.000 0.447 231 R N -0.064 120.476 120.500 0.067 0.000 2.246 231 R HA 0.044 4.384 4.340 0.000 0.000 0.199 231 R C 1.919 178.244 176.300 0.043 0.000 0.984 231 R CA 1.141 57.273 56.100 0.052 0.000 1.015 231 R CB -1.221 29.097 30.300 0.030 0.000 0.930 231 R HN 0.493 nan 8.270 nan 0.000 0.475 232 V N 0.306 120.258 119.914 0.062 0.000 2.324 232 V HA -0.217 3.903 4.120 0.000 0.000 0.250 232 V C 2.480 178.591 176.094 0.029 0.000 1.060 232 V CA 1.907 64.239 62.300 0.052 0.000 1.042 232 V CB -1.366 30.502 31.823 0.075 0.000 0.650 232 V HN 0.193 nan 8.190 nan 0.000 0.450 233 A N 0.558 123.397 122.820 0.031 0.000 1.940 233 A HA -0.115 4.205 4.320 0.000 0.000 0.219 233 A C 2.272 179.807 177.584 -0.081 0.000 1.176 233 A CA 2.123 54.122 52.037 -0.063 0.000 0.631 233 A CB -0.596 18.286 19.000 -0.197 0.000 0.814 233 A HN 0.553 nan 8.150 nan 0.000 0.446 234 L N -0.958 120.230 121.223 -0.057 0.000 2.027 234 L HA -0.161 4.179 4.340 0.000 0.000 0.206 234 L C 2.807 179.633 176.870 -0.073 0.000 1.074 234 L CA 1.882 56.664 54.840 -0.096 0.000 0.745 234 L CB -1.442 40.514 42.059 -0.170 0.000 0.898 234 L HN 0.361 nan 8.230 nan 0.000 0.433 235 T N 0.152 114.678 114.554 -0.047 0.000 2.607 235 T HA -0.196 4.154 4.350 0.000 0.000 0.267 235 T C 1.800 176.497 174.700 -0.006 0.000 1.049 235 T CA 1.714 63.802 62.100 -0.019 0.000 1.162 235 T CB -0.729 68.142 68.868 0.004 0.000 0.863 235 T HN 0.567 nan 8.240 nan 0.000 0.424 236 G N 0.992 109.793 108.800 0.003 0.000 2.448 236 G HA2 -0.110 3.850 3.960 0.000 0.000 0.219 236 G HA3 -0.110 3.850 3.960 0.000 0.000 0.219 236 G C 1.506 176.412 174.900 0.011 0.000 1.127 236 G CA 0.597 45.710 45.100 0.022 0.000 0.766 236 G HN 0.398 nan 8.290 nan 0.000 0.552 237 L N 1.063 122.270 121.223 -0.027 0.000 2.093 237 L HA 0.061 4.401 4.340 0.000 0.000 0.208 237 L C 2.749 179.615 176.870 -0.007 0.000 1.085 237 L CA 2.360 57.179 54.840 -0.035 0.000 0.755 237 L CB -1.034 40.979 42.059 -0.077 0.000 0.904 237 L HN 0.144 nan 8.230 nan 0.000 0.435 238 T N -1.048 113.499 114.554 -0.012 0.000 2.777 238 T HA -0.130 4.220 4.350 0.000 0.000 0.266 238 T C 2.017 176.724 174.700 0.012 0.000 1.040 238 T CA 1.521 63.621 62.100 -0.001 0.000 1.141 238 T CB -0.396 68.466 68.868 -0.009 0.000 0.868 238 T HN 0.199 nan 8.240 nan 0.000 0.444 239 V N 1.759 121.682 119.914 0.014 0.000 2.332 239 V HA -0.178 3.942 4.120 0.000 0.000 0.248 239 V C 2.864 179.000 176.094 0.070 0.000 1.055 239 V CA 1.756 64.060 62.300 0.007 0.000 1.038 239 V CB -1.122 30.729 31.823 0.046 0.000 0.651 239 V HN 0.542 nan 8.190 nan 0.000 0.450 240 A N -0.673 122.232 122.820 0.141 0.000 1.968 240 A HA -0.168 4.152 4.320 0.000 0.000 0.217 240 A C 2.138 179.819 177.584 0.161 0.000 1.169 240 A CA 1.384 53.565 52.037 0.240 0.000 0.638 240 A CB -0.396 18.705 19.000 0.168 0.000 0.812 240 A HN 0.598 nan 8.150 nan 0.000 0.446 241 E N -1.546 118.697 120.200 0.072 0.000 2.204 241 E HA -0.209 4.141 4.350 0.000 0.000 0.195 241 E C 1.664 178.264 176.600 -0.000 0.000 0.990 241 E CA 1.257 57.675 56.400 0.030 0.000 0.821 241 E CB -0.291 29.416 29.700 0.012 0.000 0.750 241 E HN 0.805 nan 8.360 nan 0.000 0.477 242 Y N 0.185 120.402 120.300 -0.138 0.000 2.128 242 Y HA -0.271 4.279 4.550 0.000 0.000 0.284 242 Y C 1.637 177.407 175.900 -0.217 0.000 1.154 242 Y CA 1.630 59.578 58.100 -0.253 0.000 1.149 242 Y CB -0.198 37.980 38.460 -0.470 0.000 0.976 242 Y HN -0.031 nan 8.280 nan 0.000 0.505 243 F N 0.022 120.024 119.950 0.088 0.000 2.259 243 F HA -0.039 4.488 4.527 0.000 0.000 0.298 243 F C 2.663 178.415 175.800 -0.080 0.000 1.088 243 F CA 1.565 59.583 58.000 0.030 0.000 1.358 243 F CB -0.690 38.424 39.000 0.191 0.000 1.040 243 F HN -0.020 nan 8.300 nan 0.000 0.505 244 R N 0.523 121.072 120.500 0.083 0.000 2.057 244 R HA -0.112 4.228 4.340 0.000 0.000 0.229 244 R C 1.583 177.846 176.300 -0.061 0.000 1.136 244 R CA 1.933 58.039 56.100 0.010 0.000 0.952 244 R CB -0.264 30.040 30.300 0.007 0.000 0.848 244 R HN 0.101 nan 8.270 nan 0.000 0.430 245 D N 0.006 120.340 120.400 -0.110 0.000 2.183 245 D HA -0.085 4.555 4.640 0.000 0.000 0.205 245 D C 1.777 177.962 176.300 -0.192 0.000 0.962 245 D CA 0.852 54.775 54.000 -0.128 0.000 0.849 245 D CB 0.064 40.801 40.800 -0.106 0.000 0.978 245 D HN 0.284 nan 8.370 nan 0.000 0.488 246 Q N 0.082 119.662 119.800 -0.367 0.000 2.396 246 Q HA 0.117 4.457 4.340 0.000 0.000 0.209 246 Q C 0.737 176.566 176.000 -0.285 0.000 0.906 246 Q CA 0.447 55.999 55.803 -0.420 0.000 0.927 246 Q CB 0.750 28.976 28.738 -0.853 0.000 1.069 246 Q HN 0.418 nan 8.270 nan 0.000 0.523 247 E N -0.465 119.609 120.200 -0.210 0.000 2.714 247 E HA 0.205 4.555 4.350 0.000 0.000 0.219 247 E C 0.238 176.818 176.600 -0.034 0.000 0.979 247 E CA 0.053 56.418 56.400 -0.059 0.000 1.092 247 E CB 0.999 30.741 29.700 0.069 0.000 1.049 247 E HN 0.339 nan 8.360 nan 0.000 0.487 248 G N 2.354 111.122 108.800 -0.053 0.000 2.337 248 G HA2 -0.355 3.605 3.960 0.000 0.000 0.290 248 G HA3 -0.355 3.605 3.960 0.000 0.000 0.290 248 G C 0.203 175.085 174.900 -0.029 0.000 1.003 248 G CA 0.745 45.822 45.100 -0.039 0.000 0.825 248 G HN 0.263 nan 8.290 nan 0.000 0.509 249 Q N -0.376 119.415 119.800 -0.015 0.000 2.318 249 Q HA 0.343 4.683 4.340 0.000 0.000 0.222 249 Q C -0.498 175.488 176.000 -0.024 0.000 1.003 249 Q CA -0.401 55.384 55.803 -0.031 0.000 0.936 249 Q CB 0.809 29.521 28.738 -0.044 0.000 1.204 249 Q HN 0.279 nan 8.270 nan 0.000 0.524 250 D N 1.618 121.991 120.400 -0.044 0.000 2.473 250 D HA 0.223 4.863 4.640 0.000 0.000 0.226 250 D C -0.689 175.589 176.300 -0.037 0.000 1.089 250 D CA -0.054 53.913 54.000 -0.054 0.000 0.883 250 D CB 1.128 41.866 40.800 -0.104 0.000 1.029 250 D HN 0.142 nan 8.370 nan 0.000 0.517 251 V N 2.061 121.973 119.914 -0.003 0.000 2.904 251 V HA 0.358 4.478 4.120 0.000 0.000 0.305 251 V C 0.566 176.660 176.094 -0.000 0.000 1.067 251 V CA -0.802 61.518 62.300 0.033 0.000 1.044 251 V CB 1.987 33.879 31.823 0.116 0.000 1.050 251 V HN 0.366 nan 8.190 nan 0.000 0.475 252 L N 3.497 124.733 121.223 0.022 0.000 2.313 252 L HA 0.567 4.907 4.340 0.000 0.000 0.283 252 L C -1.088 175.752 176.870 -0.049 0.000 1.013 252 L CA -0.671 54.131 54.840 -0.063 0.000 0.816 252 L CB 1.601 43.655 42.059 -0.009 0.000 1.236 252 L HN 0.565 nan 8.230 nan 0.000 0.419 253 L N 4.900 126.017 121.223 -0.177 0.000 2.316 253 L HA 0.522 4.862 4.340 0.000 0.000 0.280 253 L C -1.235 175.493 176.870 -0.236 0.000 1.006 253 L CA 0.119 54.898 54.840 -0.102 0.000 0.836 253 L CB 1.009 43.019 42.059 -0.083 0.000 1.221 253 L HN 0.225 nan 8.230 nan 0.000 0.418 254 F N 5.789 125.679 119.950 -0.100 0.000 2.404 254 F HA 0.515 5.042 4.527 0.000 0.000 0.345 254 F C 0.309 175.883 175.800 -0.376 0.000 1.110 254 F CA -0.268 57.608 58.000 -0.208 0.000 1.130 254 F CB 1.096 39.993 39.000 -0.172 0.000 1.129 254 F HN 0.257 nan 8.300 nan 0.000 0.500 255 I N 3.165 123.624 120.570 -0.185 0.000 2.437 255 I HA 0.195 4.365 4.170 0.000 0.000 0.279 255 I C -1.099 174.891 176.117 -0.212 0.000 1.028 255 I CA -0.445 60.709 61.300 -0.243 0.000 1.142 255 I CB 1.295 39.159 38.000 -0.227 0.000 1.266 255 I HN 0.424 nan 8.210 nan 0.000 0.461 256 D N 6.128 126.359 120.400 -0.283 0.000 2.453 256 D HA 0.273 4.913 4.640 0.000 0.000 0.238 256 D C -0.797 175.479 176.300 -0.041 0.000 1.088 256 D CA -0.220 53.704 54.000 -0.125 0.000 0.854 256 D CB 1.096 41.849 40.800 -0.078 0.000 1.076 256 D HN 0.598 nan 8.370 nan 0.000 0.533 257 N N 3.463 122.172 118.700 0.015 0.000 2.238 257 N HA 0.206 4.946 4.740 0.000 0.000 0.302 257 N C 0.661 176.213 175.510 0.070 0.000 1.072 257 N CA -0.708 52.365 53.050 0.039 0.000 0.792 257 N CB 1.275 39.820 38.487 0.097 0.000 1.425 257 N HN 0.118 nan 8.380 nan 0.000 0.478 258 I N 2.464 123.057 120.570 0.039 0.000 2.567 258 I HA -0.125 4.045 4.170 0.000 0.000 0.257 258 I C 1.174 177.412 176.117 0.203 0.000 1.184 258 I CA 0.961 62.298 61.300 0.062 0.000 1.451 258 I CB -0.778 37.191 38.000 -0.052 0.000 1.089 258 I HN 0.722 nan 8.210 nan 0.000 0.441 259 F N 2.124 122.133 119.950 0.099 0.000 2.186 259 F HA -0.150 4.377 4.527 0.000 0.000 0.299 259 F C 2.482 178.367 175.800 0.141 0.000 1.090 259 F CA 1.401 59.490 58.000 0.148 0.000 1.307 259 F CB -0.303 38.828 39.000 0.218 0.000 1.019 259 F HN -0.058 nan 8.300 nan 0.000 0.489 260 R N -0.720 119.818 120.500 0.063 0.000 2.235 260 R HA -0.123 4.217 4.340 0.000 0.000 0.213 260 R C 2.110 178.375 176.300 -0.059 0.000 1.059 260 R CA 1.216 57.277 56.100 -0.066 0.000 0.997 260 R CB -0.807 29.526 30.300 0.056 0.000 0.884 260 R HN 0.438 nan 8.270 nan 0.000 0.462 261 F N 1.647 121.528 119.950 -0.116 0.000 2.113 261 F HA -0.134 4.393 4.527 0.000 0.000 0.297 261 F C 2.015 177.742 175.800 -0.121 0.000 1.103 261 F CA 1.505 59.446 58.000 -0.098 0.000 1.248 261 F CB -0.389 38.563 39.000 -0.080 0.000 0.999 261 F HN -0.210 nan 8.300 nan 0.000 0.475 262 T N 0.597 114.993 114.554 -0.264 0.000 2.746 262 T HA -0.172 4.178 4.350 0.000 0.000 0.267 262 T C 1.869 176.381 174.700 -0.314 0.000 1.039 262 T CA 1.472 63.373 62.100 -0.331 0.000 1.142 262 T CB -0.219 68.550 68.868 -0.165 0.000 0.866 262 T HN 0.263 nan 8.240 nan 0.000 0.444 263 Q N 0.767 120.316 119.800 -0.418 0.000 2.084 263 Q HA 0.039 4.379 4.340 0.000 0.000 0.202 263 Q C 2.729 178.601 176.000 -0.213 0.000 0.978 263 Q CA 1.550 57.158 55.803 -0.324 0.000 0.844 263 Q CB -0.841 27.664 28.738 -0.388 0.000 0.898 263 Q HN 0.565 nan 8.270 nan 0.000 0.426 264 A N 0.840 123.533 122.820 -0.211 0.000 1.865 264 A HA -0.140 4.180 4.320 0.000 0.000 0.217 264 A C 2.374 179.852 177.584 -0.177 0.000 1.191 264 A CA 2.053 53.995 52.037 -0.158 0.000 0.623 264 A CB -1.294 17.630 19.000 -0.126 0.000 0.826 264 A HN 0.459 nan 8.150 nan 0.000 0.444 265 G N -0.999 107.635 108.800 -0.277 0.000 2.469 265 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 265 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 265 G C 1.938 176.753 174.900 -0.141 0.000 1.150 265 G CA 1.617 46.569 45.100 -0.246 0.000 0.763 265 G HN 0.563 nan 8.290 nan 0.000 0.561 266 S N 0.208 115.836 115.700 -0.121 0.000 2.370 266 S HA -0.126 4.344 4.470 0.000 0.000 0.226 266 S C 2.292 176.849 174.600 -0.073 0.000 1.033 266 S CA 1.956 60.115 58.200 -0.068 0.000 1.011 266 S CB -0.264 62.897 63.200 -0.065 0.000 0.852 266 S HN 0.607 nan 8.310 nan 0.000 0.457 267 E N -0.069 120.080 120.200 -0.085 0.000 2.072 267 E HA -0.077 4.273 4.350 0.000 0.000 0.191 267 E C 2.136 178.706 176.600 -0.051 0.000 0.985 267 E CA 1.310 57.671 56.400 -0.065 0.000 0.801 267 E CB -0.149 29.513 29.700 -0.064 0.000 0.750 267 E HN 0.345 nan 8.360 nan 0.000 0.452 268 V N 0.743 120.623 119.914 -0.057 0.000 2.343 268 V HA -0.270 3.850 4.120 0.000 0.000 0.247 268 V C 2.385 178.459 176.094 -0.033 0.000 1.051 268 V CA 1.932 64.208 62.300 -0.041 0.000 1.036 268 V CB -0.499 31.297 31.823 -0.045 0.000 0.654 268 V HN 0.264 nan 8.190 nan 0.000 0.451 269 S N -0.281 115.396 115.700 -0.039 0.000 2.368 269 S HA -0.188 4.282 4.470 0.000 0.000 0.225 269 S C 2.141 176.729 174.600 -0.021 0.000 1.030 269 S CA 1.612 59.796 58.200 -0.027 0.000 0.999 269 S CB -0.332 62.853 63.200 -0.025 0.000 0.844 269 S HN 0.617 nan 8.310 nan 0.000 0.459 270 A N 1.434 124.237 122.820 -0.028 0.000 1.877 270 A HA 0.021 4.341 4.320 0.000 0.000 0.216 270 A C 2.182 179.755 177.584 -0.018 0.000 1.186 270 A CA 1.523 53.545 52.037 -0.024 0.000 0.620 270 A CB -0.852 18.128 19.000 -0.033 0.000 0.822 270 A HN 0.579 nan 8.150 nan 0.000 0.443 271 L N -0.884 120.328 121.223 -0.018 0.000 2.131 271 L HA -0.099 4.241 4.340 0.000 0.000 0.210 271 L C 1.937 178.803 176.870 -0.007 0.000 1.092 271 L CA 0.689 55.522 54.840 -0.012 0.000 0.759 271 L CB -0.379 41.672 42.059 -0.012 0.000 0.903 271 L HN 0.328 nan 8.230 nan 0.000 0.435 272 L N -0.317 120.901 121.223 -0.007 0.000 2.599 272 L HA 0.126 4.466 4.340 0.000 0.000 0.230 272 L C 1.438 178.308 176.870 -0.002 0.000 1.141 272 L CA 0.498 55.336 54.840 -0.002 0.000 0.877 272 L CB -0.391 41.666 42.059 -0.002 0.000 1.009 272 L HN 0.444 nan 8.230 nan 0.000 0.447 273 G N 0.422 109.220 108.800 -0.004 0.000 2.143 273 G HA2 -0.294 3.666 3.960 0.000 0.000 0.249 273 G HA3 -0.294 3.666 3.960 0.000 0.000 0.249 273 G C 0.309 175.207 174.900 -0.002 0.000 0.981 273 G CA -0.261 44.837 45.100 -0.003 0.000 0.665 273 G HN 0.388 nan 8.290 nan 0.000 0.528 274 R N -0.180 120.318 120.500 -0.003 0.000 2.389 274 R HA 0.454 4.794 4.340 0.000 0.000 0.295 274 R C 0.926 177.225 176.300 -0.000 0.000 1.075 274 R CA -0.460 55.639 56.100 -0.001 0.000 1.005 274 R CB 0.774 31.073 30.300 -0.002 0.000 0.987 274 R HN 0.345 nan 8.270 nan 0.000 0.452 275 I N 5.391 125.963 120.570 0.003 0.000 2.598 275 I HA 0.017 4.187 4.170 0.000 0.000 0.284 275 I C -1.713 174.409 176.117 0.008 0.000 1.140 275 I CA -1.593 59.710 61.300 0.004 0.000 1.420 275 I CB 0.317 38.321 38.000 0.006 0.000 1.387 275 I HN 0.281 nan 8.210 nan 0.000 0.553 276 P HA 0.105 nan 4.420 nan 0.000 0.272 276 P C -0.323 176.994 177.300 0.027 0.000 1.223 276 P CA -0.218 62.889 63.100 0.012 0.000 0.784 276 P CB 0.919 32.615 31.700 -0.005 0.000 0.923 277 S N 0.959 116.690 115.700 0.051 0.000 2.647 277 S HA 0.661 5.131 4.470 0.000 0.000 0.284 277 S C -0.173 174.477 174.600 0.084 0.000 1.134 277 S CA -0.466 57.775 58.200 0.069 0.000 1.027 277 S CB 0.025 63.278 63.200 0.089 0.000 1.180 277 S HN 0.538 nan 8.310 nan 0.000 0.521 278 A N 0.367 123.247 122.820 0.099 0.000 2.561 278 A HA 0.345 4.665 4.320 0.000 0.000 0.234 278 A C 1.097 178.779 177.584 0.163 0.000 1.055 278 A CA 0.465 52.567 52.037 0.109 0.000 0.756 278 A CB -0.850 18.211 19.000 0.102 0.000 0.986 278 A HN 1.635 nan 8.150 nan 0.000 0.505 279 V N 1.192 121.174 119.914 0.113 0.000 2.956 279 V HA -0.335 3.785 4.120 0.000 0.000 0.165 279 V C 1.845 177.910 176.094 -0.049 0.000 0.450 279 V CA 1.853 64.207 62.300 0.092 0.000 1.165 279 V CB -2.445 29.517 31.823 0.232 0.000 1.346 279 V HN 2.942 nan 8.190 nan 0.000 1.106 280 G N -2.764 106.013 108.800 -0.037 0.000 2.179 280 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 280 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 280 G C -0.151 174.642 174.900 -0.178 0.000 0.977 280 G CA 0.339 45.365 45.100 -0.122 0.000 0.641 280 G HN 0.852 nan 8.290 nan 0.000 0.533 281 Y N 1.641 121.951 120.300 0.016 0.000 2.299 281 Y HA 0.429 4.979 4.550 0.000 0.000 0.335 281 Y C 1.437 177.329 175.900 -0.014 0.000 1.287 281 Y CA -0.113 57.985 58.100 -0.004 0.000 1.424 281 Y CB 0.430 38.895 38.460 0.009 0.000 1.326 281 Y HN 0.404 nan 8.280 nan 0.000 0.567 282 Q N 2.514 122.399 119.800 0.143 0.000 2.386 282 Q HA 0.016 4.356 4.340 0.000 0.000 0.282 282 Q C -2.266 173.774 176.000 0.067 0.000 1.050 282 Q CA -1.370 54.469 55.803 0.061 0.000 0.918 282 Q CB 0.552 29.301 28.738 0.018 0.000 1.266 282 Q HN 0.382 nan 8.270 nan 0.000 0.423 283 P HA -0.118 nan 4.420 nan 0.000 0.220 283 P C 1.055 178.373 177.300 0.030 0.000 1.148 283 P CA 1.738 64.860 63.100 0.037 0.000 0.803 283 P CB -0.159 31.555 31.700 0.024 0.000 0.782 284 T N -3.711 110.855 114.554 0.021 0.000 3.219 284 T HA 0.102 4.452 4.350 0.000 0.000 0.249 284 T C 1.459 176.168 174.700 0.015 0.000 1.099 284 T CA -0.275 61.834 62.100 0.016 0.000 0.988 284 T CB -0.969 67.902 68.868 0.005 0.000 0.999 284 T HN -0.169 nan 8.240 nan 0.000 0.550 285 L N 2.046 123.280 121.223 0.019 0.000 2.030 285 L HA -0.143 4.197 4.340 0.000 0.000 0.222 285 L C 2.690 179.573 176.870 0.022 0.000 1.082 285 L CA 2.405 57.247 54.840 0.003 0.000 0.785 285 L CB -1.232 40.821 42.059 -0.011 0.000 0.895 285 L HN 0.401 nan 8.230 nan 0.000 0.439 286 A N -1.933 120.910 122.820 0.038 0.000 1.968 286 A HA -0.146 4.174 4.320 0.000 0.000 0.217 286 A C 2.258 179.892 177.584 0.084 0.000 1.169 286 A CA 2.005 54.084 52.037 0.070 0.000 0.638 286 A CB -1.133 17.906 19.000 0.064 0.000 0.812 286 A HN 0.664 nan 8.150 nan 0.000 0.446 287 T N -2.667 111.923 114.554 0.061 0.000 2.942 287 T HA -0.076 4.274 4.350 0.000 0.000 0.265 287 T C 1.296 176.038 174.700 0.070 0.000 1.062 287 T CA 1.167 63.305 62.100 0.063 0.000 1.139 287 T CB -0.314 68.581 68.868 0.044 0.000 0.883 287 T HN 0.304 nan 8.240 nan 0.000 0.468 288 D N 1.060 121.497 120.400 0.061 0.000 2.117 288 D HA -0.037 4.603 4.640 0.000 0.000 0.197 288 D C 1.899 178.315 176.300 0.194 0.000 0.987 288 D CA 1.110 55.157 54.000 0.079 0.000 0.829 288 D CB -0.313 40.471 40.800 -0.027 0.000 0.961 288 D HN 0.335 nan 8.370 nan 0.000 0.460 289 M N 0.525 120.224 119.600 0.165 0.000 2.200 289 M HA 0.051 4.531 4.480 0.000 0.000 0.265 289 M C 1.895 178.170 176.300 -0.042 0.000 1.066 289 M CA 1.596 56.987 55.300 0.153 0.000 1.127 289 M CB -0.522 32.144 32.600 0.110 0.000 1.379 289 M HN -0.024 nan 8.290 nan 0.000 0.420 290 G N -1.108 107.714 108.800 0.036 0.000 2.414 290 G HA2 -0.213 3.747 3.960 0.000 0.000 0.215 290 G HA3 -0.213 3.747 3.960 0.000 0.000 0.215 290 G C 1.412 176.327 174.900 0.025 0.000 1.188 290 G CA 1.415 46.548 45.100 0.055 0.000 0.783 290 G HN 0.575 nan 8.290 nan 0.000 0.537 291 T N -1.442 113.142 114.554 0.051 0.000 2.946 291 T HA -0.046 4.304 4.350 0.000 0.000 0.271 291 T C 2.068 176.781 174.700 0.022 0.000 1.104 291 T CA 1.497 63.627 62.100 0.049 0.000 1.114 291 T CB -0.056 68.856 68.868 0.074 0.000 0.867 291 T HN 0.172 nan 8.240 nan 0.000 0.513 292 M N 0.296 119.888 119.600 -0.014 0.000 2.553 292 M HA 0.127 4.607 4.480 0.000 0.000 0.255 292 M C 2.237 178.438 176.300 -0.165 0.000 1.181 292 M CA 1.011 56.257 55.300 -0.089 0.000 1.210 292 M CB -0.444 32.069 32.600 -0.144 0.000 1.280 292 M HN 0.117 nan 8.290 nan 0.000 0.495 293 Q N 0.687 120.337 119.800 -0.250 0.000 2.135 293 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 293 Q C 1.675 177.596 176.000 -0.133 0.000 0.981 293 Q CA 1.330 56.960 55.803 -0.288 0.000 0.856 293 Q CB -0.415 27.950 28.738 -0.623 0.000 0.902 293 Q HN 0.568 nan 8.270 nan 0.000 0.425 294 E N 0.549 120.712 120.200 -0.062 0.000 2.333 294 E HA -0.141 4.210 4.350 0.000 0.000 0.198 294 E C 1.819 178.409 176.600 -0.016 0.000 1.007 294 E CA 0.515 56.918 56.400 0.006 0.000 0.845 294 E CB -0.079 29.647 29.700 0.044 0.000 0.766 294 E HN 0.319 nan 8.360 nan 0.000 0.507 295 R N 0.142 120.619 120.500 -0.039 0.000 2.235 295 R HA 0.085 4.425 4.340 0.000 0.000 0.213 295 R C 0.832 177.105 176.300 -0.046 0.000 1.059 295 R CA 0.294 56.373 56.100 -0.036 0.000 0.997 295 R CB 0.087 30.363 30.300 -0.040 0.000 0.884 295 R HN 0.074 nan 8.270 nan 0.000 0.462 296 I N 2.144 122.675 120.570 -0.064 0.000 2.291 296 I HA 0.097 4.267 4.170 0.000 0.000 0.292 296 I C -0.043 176.041 176.117 -0.056 0.000 1.064 296 I CA 0.045 61.302 61.300 -0.072 0.000 1.269 296 I CB 0.741 38.678 38.000 -0.106 0.000 1.418 296 I HN 0.148 nan 8.210 nan 0.000 0.485 297 T N 0.409 114.932 114.554 -0.051 0.000 2.658 297 T HA 0.293 4.643 4.350 0.000 0.000 0.306 297 T C -0.468 174.201 174.700 -0.052 0.000 1.544 297 T CA -0.903 61.168 62.100 -0.049 0.000 0.991 297 T CB 1.400 70.243 68.868 -0.042 0.000 1.774 297 T HN 0.202 nan 8.240 nan 0.000 0.479 298 T N 2.489 117.010 114.554 -0.055 0.000 2.753 298 T HA 0.649 4.999 4.350 0.000 0.000 0.297 298 T C 0.645 175.310 174.700 -0.058 0.000 0.981 298 T CA -0.491 61.575 62.100 -0.057 0.000 0.956 298 T CB 0.767 69.599 68.868 -0.059 0.000 0.936 298 T HN 0.982 nan 8.240 nan 0.000 0.463 299 T N 0.495 115.018 114.554 -0.052 0.000 2.888 299 T HA 0.409 4.759 4.350 0.000 0.000 0.283 299 T C 1.347 176.017 174.700 -0.050 0.000 1.013 299 T CA -0.936 61.133 62.100 -0.051 0.000 0.938 299 T CB 0.904 69.746 68.868 -0.042 0.000 1.298 299 T HN 0.226 nan 8.240 nan 0.000 0.580 300 K N 0.442 120.814 120.400 -0.046 0.000 2.148 300 K HA 0.009 4.329 4.320 0.000 0.000 0.204 300 K C 2.055 178.633 176.600 -0.037 0.000 1.050 300 K CA 1.120 57.382 56.287 -0.041 0.000 0.942 300 K CB -0.187 32.292 32.500 -0.036 0.000 0.724 300 K HN 0.607 nan 8.250 nan 0.000 0.446 301 K N 0.024 120.401 120.400 -0.037 0.000 2.137 301 K HA 0.039 4.359 4.320 0.000 0.000 0.202 301 K C 1.339 177.916 176.600 -0.038 0.000 1.052 301 K CA 0.896 57.161 56.287 -0.038 0.000 0.961 301 K CB 0.326 32.800 32.500 -0.042 0.000 0.741 301 K HN 0.200 nan 8.250 nan 0.000 0.452 302 G N 0.261 109.038 108.800 -0.039 0.000 2.435 302 G HA2 0.286 4.246 3.960 0.000 0.000 0.296 302 G HA3 0.286 4.246 3.960 0.000 0.000 0.296 302 G C -1.586 173.290 174.900 -0.041 0.000 1.240 302 G CA -0.205 44.872 45.100 -0.038 0.000 0.872 302 G HN 0.117 nan 8.290 nan 0.000 0.480 303 S N -1.351 114.326 115.700 -0.039 0.000 2.547 303 S HA 0.713 5.183 4.470 0.000 0.000 0.270 303 S C -1.499 173.078 174.600 -0.037 0.000 1.150 303 S CA -0.725 57.448 58.200 -0.046 0.000 0.850 303 S CB 1.585 64.748 63.200 -0.063 0.000 1.118 303 S HN 0.880 nan 8.310 nan 0.000 0.461 304 I N 2.456 123.000 120.570 -0.043 0.000 2.355 304 I HA 0.387 4.557 4.170 0.000 0.000 0.288 304 I C -0.261 175.807 176.117 -0.082 0.000 0.999 304 I CA -0.287 60.986 61.300 -0.045 0.000 1.163 304 I CB 2.015 39.993 38.000 -0.036 0.000 1.316 304 I HN 0.651 nan 8.210 nan 0.000 0.454 305 T N 4.027 118.519 114.554 -0.102 0.000 2.824 305 T HA 0.371 4.721 4.350 0.000 0.000 0.280 305 T C -0.289 174.284 174.700 -0.212 0.000 0.995 305 T CA -0.513 61.501 62.100 -0.143 0.000 1.009 305 T CB 1.537 70.331 68.868 -0.123 0.000 0.955 305 T HN 0.494 nan 8.240 nan 0.000 0.452 306 S N 2.074 117.624 115.700 -0.249 0.000 2.532 306 S HA 0.614 5.084 4.470 0.000 0.000 0.299 306 S C -0.767 173.613 174.600 -0.366 0.000 1.105 306 S CA -0.635 57.381 58.200 -0.307 0.000 1.018 306 S CB 0.701 63.757 63.200 -0.240 0.000 1.021 306 S HN 0.460 nan 8.310 nan 0.000 0.483 307 V N 5.845 125.489 119.914 -0.449 0.000 2.370 307 V HA 0.483 4.603 4.120 0.000 0.000 0.283 307 V C -0.493 175.467 176.094 -0.223 0.000 1.023 307 V CA -0.517 61.565 62.300 -0.364 0.000 0.857 307 V CB 1.295 32.894 31.823 -0.372 0.000 0.985 307 V HN 0.868 nan 8.190 nan 0.000 0.443 308 Q N 3.376 123.058 119.800 -0.198 0.000 2.309 308 Q HA 0.691 5.031 4.340 0.000 0.000 0.270 308 Q C -0.242 175.653 176.000 -0.176 0.000 1.023 308 Q CA -0.573 55.124 55.803 -0.176 0.000 0.758 308 Q CB 2.302 30.914 28.738 -0.211 0.000 1.247 308 Q HN 0.867 nan 8.270 nan 0.000 0.455 309 A N 3.981 126.736 122.820 -0.107 0.000 2.520 309 A HA 0.367 4.687 4.320 0.000 0.000 0.245 309 A C -0.295 177.196 177.584 -0.155 0.000 1.072 309 A CA 0.140 52.115 52.037 -0.104 0.000 0.761 309 A CB -0.088 18.908 19.000 -0.008 0.000 1.004 309 A HN 0.742 nan 8.150 nan 0.000 0.499 310 I N 2.443 122.832 120.570 -0.301 0.000 2.436 310 I HA 0.246 4.416 4.170 0.000 0.000 0.289 310 I C -0.787 175.240 176.117 -0.150 0.000 1.010 310 I CA -0.534 60.590 61.300 -0.294 0.000 1.098 310 I CB 1.604 39.213 38.000 -0.651 0.000 1.266 310 I HN 0.734 nan 8.210 nan 0.000 0.434 311 Y N 6.918 127.157 120.300 -0.103 0.000 2.320 311 Y HA 0.556 5.106 4.550 0.000 0.000 0.334 311 Y C -0.685 175.090 175.900 -0.207 0.000 1.055 311 Y CA -0.652 57.355 58.100 -0.156 0.000 1.143 311 Y CB 1.335 39.661 38.460 -0.223 0.000 1.193 311 Y HN 0.273 nan 8.280 nan 0.000 0.477 312 V N 9.175 128.584 119.914 -0.841 0.000 2.294 312 V HA 0.306 4.426 4.120 0.000 0.000 0.272 312 V C -2.213 173.429 176.094 -0.752 0.000 1.027 312 V CA -2.145 59.840 62.300 -0.525 0.000 0.823 312 V CB 0.561 32.292 31.823 -0.154 0.000 1.030 312 V HN 0.726 nan 8.190 nan 0.000 0.457 313 P HA 0.065 nan 4.420 nan 0.000 0.261 313 P C 0.699 177.930 177.300 -0.116 0.000 1.183 313 P CA 0.808 63.771 63.100 -0.229 0.000 0.761 313 P CB 0.563 32.299 31.700 0.060 0.000 0.785 314 A N 3.969 126.748 122.820 -0.068 0.000 2.771 314 A HA -0.266 4.054 4.320 0.000 0.000 0.294 314 A C 0.986 178.541 177.584 -0.049 0.000 1.500 314 A CA 1.220 53.242 52.037 -0.025 0.000 0.829 314 A CB -2.449 16.562 19.000 0.019 0.000 0.998 314 A HN 0.649 nan 8.150 nan 0.000 0.526 315 D N -1.593 118.740 120.400 -0.111 0.000 2.955 315 D HA -0.209 4.431 4.640 0.000 0.000 0.226 315 D C -0.164 176.115 176.300 -0.036 0.000 1.178 315 D CA 2.039 55.992 54.000 -0.078 0.000 0.808 315 D CB -0.887 39.887 40.800 -0.045 0.000 1.099 315 D HN 0.981 nan 8.370 nan 0.000 0.421 316 D N 0.309 120.694 120.400 -0.024 0.000 2.412 316 D HA 0.236 4.876 4.640 0.000 0.000 0.224 316 D C 1.405 177.726 176.300 0.034 0.000 1.093 316 D CA -0.488 53.517 54.000 0.008 0.000 0.850 316 D CB 0.420 41.235 40.800 0.025 0.000 1.046 316 D HN 0.064 nan 8.370 nan 0.000 0.507 317 L N 2.641 123.884 121.223 0.033 0.000 2.456 317 L HA -0.064 4.276 4.340 0.000 0.000 0.224 317 L C 2.094 178.994 176.870 0.051 0.000 1.148 317 L CA 1.280 56.161 54.840 0.069 0.000 0.825 317 L CB -0.293 41.764 42.059 -0.003 0.000 0.937 317 L HN 0.524 nan 8.230 nan 0.000 0.450 318 T N -5.052 109.519 114.554 0.029 0.000 3.081 318 T HA -0.040 4.310 4.350 0.000 0.000 0.250 318 T C 0.762 175.499 174.700 0.060 0.000 1.100 318 T CA -0.430 61.686 62.100 0.027 0.000 1.038 318 T CB -0.197 68.677 68.868 0.009 0.000 0.962 318 T HN 0.181 nan 8.240 nan 0.000 0.516 319 D N 2.676 123.127 120.400 0.085 0.000 2.472 319 D HA 0.032 4.673 4.640 0.000 0.000 0.237 319 D C -1.416 174.936 176.300 0.085 0.000 1.141 319 D CA -1.461 52.612 54.000 0.123 0.000 0.875 319 D CB 1.574 42.472 40.800 0.163 0.000 1.192 319 D HN 0.004 nan 8.370 nan 0.000 0.450 320 P HA -0.205 nan 4.420 nan 0.000 0.217 320 P C 0.877 178.040 177.300 -0.229 0.000 1.151 320 P CA 1.918 64.955 63.100 -0.106 0.000 0.849 320 P CB 0.073 31.679 31.700 -0.156 0.000 0.787 321 A N 0.178 122.808 122.820 -0.317 0.000 1.835 321 A HA -0.118 4.202 4.320 0.000 0.000 0.215 321 A C 0.015 177.637 177.584 0.063 0.000 1.199 321 A CA 2.316 54.253 52.037 -0.166 0.000 0.615 321 A CB -2.242 16.833 19.000 0.124 0.000 0.838 321 A HN 0.225 nan 8.150 nan 0.000 0.444 322 P HA -0.078 nan 4.420 nan 0.000 0.219 322 P C 1.553 179.055 177.300 0.338 0.000 1.150 322 P CA 1.879 65.113 63.100 0.223 0.000 0.814 322 P CB -0.181 31.690 31.700 0.285 0.000 0.787 323 A N -0.044 122.916 122.820 0.233 0.000 1.902 323 A HA -0.140 4.181 4.320 0.000 0.000 0.217 323 A C 2.333 180.028 177.584 0.185 0.000 1.181 323 A CA 2.389 54.549 52.037 0.205 0.000 0.623 323 A CB -1.902 17.151 19.000 0.090 0.000 0.818 323 A HN 0.185 nan 8.150 nan 0.000 0.443 324 T N -0.250 114.372 114.554 0.114 0.000 2.821 324 T HA -0.085 4.265 4.350 0.000 0.000 0.267 324 T C 1.973 176.782 174.700 0.181 0.000 1.046 324 T CA 1.817 63.984 62.100 0.112 0.000 1.139 324 T CB -0.439 68.460 68.868 0.051 0.000 0.871 324 T HN 0.579 nan 8.240 nan 0.000 0.454 325 T N 1.625 116.269 114.554 0.149 0.000 2.821 325 T HA 0.001 4.351 4.350 0.000 0.000 0.267 325 T C 1.543 176.305 174.700 0.103 0.000 1.046 325 T CA 0.818 62.978 62.100 0.101 0.000 1.139 325 T CB -0.520 68.335 68.868 -0.023 0.000 0.871 325 T HN 0.272 nan 8.240 nan 0.000 0.454 326 F N 1.842 121.853 119.950 0.102 0.000 2.250 326 F HA -0.003 4.524 4.527 0.000 0.000 0.301 326 F C 2.547 178.368 175.800 0.036 0.000 1.077 326 F CA 0.581 58.630 58.000 0.081 0.000 1.348 326 F CB -0.579 38.463 39.000 0.070 0.000 1.040 326 F HN 0.143 nan 8.300 nan 0.000 0.509 327 A N -1.389 121.536 122.820 0.174 0.000 2.125 327 A HA -0.181 4.139 4.320 0.000 0.000 0.219 327 A C 1.711 179.175 177.584 -0.199 0.000 1.156 327 A CA 1.584 53.601 52.037 -0.033 0.000 0.671 327 A CB -0.782 18.141 19.000 -0.129 0.000 0.794 327 A HN 0.504 nan 8.150 nan 0.000 0.459 328 H N -1.493 117.598 119.070 0.034 0.000 2.740 328 H HA 0.293 4.849 4.556 0.000 0.000 0.265 328 H C -0.051 175.259 175.328 -0.029 0.000 0.978 328 H CA -0.210 55.834 56.048 -0.008 0.000 1.198 328 H CB 0.201 29.941 29.762 -0.037 0.000 1.467 328 H HN 0.326 nan 8.280 nan 0.000 0.511 329 L N 1.477 122.744 121.223 0.073 0.000 2.380 329 L HA 0.088 4.428 4.340 0.000 0.000 0.273 329 L C 0.440 177.330 176.870 0.033 0.000 1.138 329 L CA 0.202 55.050 54.840 0.012 0.000 0.832 329 L CB 0.936 42.973 42.059 -0.037 0.000 1.124 329 L HN 0.027 nan 8.230 nan 0.000 0.454 330 D N 1.069 121.466 120.400 -0.006 0.000 2.389 330 D HA 0.360 5.000 4.640 0.000 0.000 0.206 330 D C 0.214 176.527 176.300 0.021 0.000 1.055 330 D CA 0.281 54.283 54.000 0.004 0.000 0.856 330 D CB 0.784 41.570 40.800 -0.023 0.000 0.957 330 D HN 0.627 nan 8.370 nan 0.000 0.509 331 A N -0.186 122.642 122.820 0.014 0.000 2.566 331 A HA 0.639 4.959 4.320 0.000 0.000 0.290 331 A C -1.057 176.566 177.584 0.066 0.000 1.071 331 A CA -0.742 51.328 52.037 0.054 0.000 0.658 331 A CB 0.964 20.001 19.000 0.062 0.000 1.285 331 A HN 0.010 nan 8.150 nan 0.000 0.427 332 T N -1.725 112.909 114.554 0.134 0.000 2.906 332 T HA 0.781 5.131 4.350 0.000 0.000 0.295 332 T C -0.785 174.048 174.700 0.222 0.000 1.061 332 T CA -0.440 61.782 62.100 0.204 0.000 1.000 332 T CB 1.861 70.900 68.868 0.285 0.000 1.103 332 T HN 0.869 nan 8.240 nan 0.000 0.486 333 T N 2.185 116.899 114.554 0.266 0.000 2.864 333 T HA 0.516 4.866 4.350 0.000 0.000 0.310 333 T C -0.473 174.392 174.700 0.275 0.000 1.040 333 T CA -0.524 61.733 62.100 0.262 0.000 0.977 333 T CB 0.881 69.924 68.868 0.291 0.000 0.976 333 T HN 0.659 nan 8.240 nan 0.000 0.459 334 V N 5.688 125.726 119.914 0.207 0.000 2.350 334 V HA 0.402 4.522 4.120 0.000 0.000 0.276 334 V C 0.007 176.196 176.094 0.157 0.000 1.028 334 V CA -0.731 61.683 62.300 0.190 0.000 0.860 334 V CB 0.836 32.706 31.823 0.079 0.000 0.990 334 V HN 0.738 nan 8.190 nan 0.000 0.453 335 L N 5.307 126.634 121.223 0.174 0.000 2.275 335 L HA 0.656 4.996 4.340 0.000 0.000 0.288 335 L C 0.373 177.317 176.870 0.123 0.000 1.046 335 L CA 0.092 55.020 54.840 0.146 0.000 0.805 335 L CB 1.737 43.889 42.059 0.156 0.000 1.193 335 L HN 0.794 nan 8.230 nan 0.000 0.426 336 S N 2.850 118.611 115.700 0.101 0.000 2.599 336 S HA 0.525 4.995 4.470 0.000 0.000 0.294 336 S C 0.696 175.343 174.600 0.079 0.000 1.094 336 S CA -0.987 57.262 58.200 0.082 0.000 0.931 336 S CB 2.355 65.590 63.200 0.059 0.000 1.093 336 S HN 0.539 nan 8.310 nan 0.000 0.488 337 R N 1.365 121.906 120.500 0.068 0.000 2.075 337 R HA 0.016 4.356 4.340 0.000 0.000 0.232 337 R C 2.514 178.845 176.300 0.051 0.000 1.126 337 R CA 1.585 57.724 56.100 0.065 0.000 0.963 337 R CB -1.689 28.643 30.300 0.053 0.000 0.858 337 R HN 0.853 nan 8.270 nan 0.000 0.435 338 A N 1.653 124.495 122.820 0.037 0.000 1.892 338 A HA -0.169 4.152 4.320 0.000 0.000 0.218 338 A C 2.293 179.887 177.584 0.016 0.000 1.188 338 A CA 1.531 53.582 52.037 0.023 0.000 0.631 338 A CB -0.589 18.421 19.000 0.016 0.000 0.822 338 A HN 0.211 nan 8.150 nan 0.000 0.447 339 I N -0.777 119.806 120.570 0.022 0.000 2.439 339 I HA -0.183 3.987 4.170 0.000 0.000 0.251 339 I C 2.892 178.993 176.117 -0.026 0.000 1.139 339 I CA 0.856 62.157 61.300 0.003 0.000 1.438 339 I CB -0.383 37.627 38.000 0.018 0.000 1.085 339 I HN 0.378 nan 8.210 nan 0.000 0.427 340 A N 0.526 123.365 122.820 0.033 0.000 1.972 340 A HA -0.185 4.135 4.320 0.000 0.000 0.219 340 A C 2.047 179.662 177.584 0.051 0.000 1.169 340 A CA 1.358 53.449 52.037 0.089 0.000 0.635 340 A CB -0.468 18.647 19.000 0.192 0.000 0.810 340 A HN 0.430 nan 8.150 nan 0.000 0.446 341 E N -0.571 119.649 120.200 0.034 0.000 2.511 341 E HA 0.084 4.434 4.350 0.000 0.000 0.196 341 E C 0.826 177.419 176.600 -0.012 0.000 1.066 341 E CA 0.113 56.530 56.400 0.027 0.000 0.871 341 E CB -0.029 29.688 29.700 0.029 0.000 0.863 341 E HN 0.595 nan 8.360 nan 0.000 0.520 342 L N -0.749 120.442 121.223 -0.053 0.000 2.693 342 L HA 0.236 4.576 4.340 0.000 0.000 0.235 342 L C 1.279 178.062 176.870 -0.144 0.000 1.127 342 L CA 0.186 54.982 54.840 -0.075 0.000 0.914 342 L CB 0.412 42.442 42.059 -0.049 0.000 1.193 342 L HN 0.225 nan 8.230 nan 0.000 0.502 343 G N 1.122 109.773 108.800 -0.248 0.000 2.184 343 G HA2 -0.294 3.666 3.960 0.000 0.000 0.264 343 G HA3 -0.294 3.666 3.960 0.000 0.000 0.264 343 G C 0.059 174.489 174.900 -0.782 0.000 0.975 343 G CA -0.165 44.653 45.100 -0.471 0.000 0.642 343 G HN 0.182 nan 8.290 nan 0.000 0.536 344 I N 1.623 121.880 120.570 -0.521 0.000 2.347 344 I HA 0.471 4.641 4.170 0.000 0.000 0.294 344 I C -0.237 175.613 176.117 -0.446 0.000 1.090 344 I CA -1.234 59.869 61.300 -0.328 0.000 1.314 344 I CB -0.121 37.826 38.000 -0.088 0.000 1.423 344 I HN 0.121 nan 8.210 nan 0.000 0.503 345 Y N 7.841 128.116 120.300 -0.043 0.000 2.364 345 Y HA 0.554 5.104 4.550 0.000 0.000 0.340 345 Y C -2.132 173.626 175.900 -0.237 0.000 0.975 345 Y CA -3.417 54.611 58.100 -0.119 0.000 1.089 345 Y CB 0.757 39.121 38.460 -0.160 0.000 1.192 345 Y HN 0.434 nan 8.280 nan 0.000 0.454 346 P HA 0.114 nan 4.420 nan 0.000 0.272 346 P C -0.276 177.108 177.300 0.140 0.000 1.223 346 P CA -0.313 62.867 63.100 0.134 0.000 0.784 346 P CB 0.959 32.809 31.700 0.249 0.000 0.923 347 A N 2.686 125.618 122.820 0.187 0.000 2.958 347 A HA 0.223 4.543 4.320 0.000 0.000 0.247 347 A C 0.420 178.073 177.584 0.114 0.000 1.679 347 A CA -0.222 51.896 52.037 0.135 0.000 1.345 347 A CB -1.300 17.800 19.000 0.167 0.000 1.013 347 A HN 0.349 nan 8.150 nan 0.000 0.641 348 V N 1.214 121.191 119.914 0.105 0.000 2.530 348 V HA 0.086 4.206 4.120 0.000 0.000 0.282 348 V C 0.356 176.492 176.094 0.070 0.000 1.048 348 V CA -0.633 61.727 62.300 0.101 0.000 0.997 348 V CB 1.387 33.272 31.823 0.104 0.000 0.987 348 V HN 0.615 nan 8.190 nan 0.000 0.477 349 D N 7.337 127.777 120.400 0.067 0.000 2.325 349 D HA 0.193 4.833 4.640 0.000 0.000 0.251 349 D C -1.573 174.748 176.300 0.035 0.000 1.196 349 D CA -1.781 52.245 54.000 0.043 0.000 0.866 349 D CB 2.162 42.983 40.800 0.035 0.000 1.101 349 D HN 0.257 nan 8.370 nan 0.000 0.476 350 P HA -0.004 nan 4.420 nan 0.000 0.229 350 P C 1.254 178.554 177.300 0.000 0.000 1.160 350 P CA 0.574 63.678 63.100 0.007 0.000 0.777 350 P CB 0.538 32.237 31.700 -0.002 0.000 0.814 351 L N -1.500 119.725 121.223 0.004 0.000 2.609 351 L HA 0.208 4.548 4.340 0.000 0.000 0.230 351 L C 2.082 178.949 176.870 -0.005 0.000 1.064 351 L CA 0.359 55.197 54.840 -0.003 0.000 0.873 351 L CB -0.389 41.667 42.059 -0.005 0.000 1.139 351 L HN -0.151 nan 8.230 nan 0.000 0.490 352 D N 0.292 120.690 120.400 -0.004 0.000 2.162 352 D HA -0.008 4.632 4.640 0.000 0.000 0.203 352 D C 0.696 176.993 176.300 -0.005 0.000 0.967 352 D CA 0.484 54.473 54.000 -0.019 0.000 0.840 352 D CB 0.365 41.148 40.800 -0.028 0.000 0.972 352 D HN 0.072 nan 8.370 nan 0.000 0.482 353 S N -0.090 115.627 115.700 0.027 0.000 2.549 353 S HA 0.392 4.863 4.470 0.000 0.000 0.279 353 S C 0.450 175.087 174.600 0.060 0.000 1.321 353 S CA -0.300 57.938 58.200 0.063 0.000 1.054 353 S CB 1.470 64.726 63.200 0.093 0.000 0.899 353 S HN 0.347 nan 8.310 nan 0.000 0.497 354 T N -1.133 113.470 114.554 0.081 0.000 2.787 354 T HA 0.773 5.124 4.350 0.000 0.000 0.297 354 T C -0.780 173.978 174.700 0.097 0.000 1.221 354 T CA -0.895 61.250 62.100 0.075 0.000 1.006 354 T CB 1.799 70.701 68.868 0.057 0.000 1.328 354 T HN 0.490 nan 8.240 nan 0.000 0.509 355 S N -1.395 114.356 115.700 0.084 0.000 2.566 355 S HA 0.406 4.876 4.470 0.000 0.000 0.273 355 S C 0.571 175.208 174.600 0.062 0.000 1.157 355 S CA -0.799 57.450 58.200 0.082 0.000 0.938 355 S CB 1.712 64.969 63.200 0.095 0.000 1.087 355 S HN 0.778 nan 8.310 nan 0.000 0.474 356 R N 2.210 122.740 120.500 0.049 0.000 2.152 356 R HA 0.021 4.362 4.340 0.000 0.000 0.232 356 R C 1.691 178.003 176.300 0.020 0.000 1.117 356 R CA 1.897 58.017 56.100 0.033 0.000 0.981 356 R CB -0.495 29.819 30.300 0.023 0.000 0.870 356 R HN 0.826 nan 8.270 nan 0.000 0.451 357 I N -1.969 118.611 120.570 0.016 0.000 3.680 357 I HA 0.122 4.293 4.170 0.000 0.000 0.306 357 I C 0.617 176.728 176.117 -0.010 0.000 1.260 357 I CA -0.008 61.287 61.300 -0.008 0.000 1.201 357 I CB -0.026 37.963 38.000 -0.018 0.000 1.009 357 I HN -0.050 nan 8.210 nan 0.000 0.467 358 M N 2.805 122.427 119.600 0.036 0.000 3.596 358 M HA 0.282 4.762 4.480 0.000 0.000 0.219 358 M C -0.832 175.570 176.300 0.171 0.000 1.471 358 M CA -0.005 55.357 55.300 0.103 0.000 1.644 358 M CB -1.293 31.384 32.600 0.128 0.000 1.083 358 M HN 0.414 nan 8.290 nan 0.000 0.579 359 D N 1.543 121.958 120.400 0.024 0.000 2.934 359 D HA 0.455 5.095 4.640 0.000 0.000 0.230 359 D C -2.134 174.016 176.300 -0.250 0.000 1.204 359 D CA -1.609 52.274 54.000 -0.195 0.000 0.873 359 D CB 2.172 42.889 40.800 -0.138 0.000 1.645 359 D HN 0.077 nan 8.370 nan 0.000 0.502 360 P HA -0.158 nan 4.420 nan 0.000 0.216 360 P C 0.447 177.663 177.300 -0.141 0.000 1.150 360 P CA 1.227 64.159 63.100 -0.280 0.000 0.843 360 P CB 0.097 31.581 31.700 -0.360 0.000 0.787 361 N N -0.822 117.788 118.700 -0.151 0.000 2.443 361 N HA -0.049 4.692 4.740 0.000 0.000 0.184 361 N C 1.709 177.179 175.510 -0.066 0.000 1.037 361 N CA 0.901 53.897 53.050 -0.090 0.000 0.896 361 N CB -0.398 38.039 38.487 -0.084 0.000 0.959 361 N HN 0.290 nan 8.380 nan 0.000 0.442 362 I N -1.380 119.146 120.570 -0.074 0.000 3.345 362 I HA 0.002 4.172 4.170 0.000 0.000 0.258 362 I C 1.519 177.603 176.117 -0.055 0.000 1.134 362 I CA 0.256 61.521 61.300 -0.058 0.000 1.457 362 I CB -0.054 37.911 38.000 -0.059 0.000 1.425 362 I HN -0.029 nan 8.210 nan 0.000 0.461 363 V N -0.715 119.152 119.914 -0.078 0.000 3.649 363 V HA 0.567 4.687 4.120 0.000 0.000 0.275 363 V C 0.787 176.882 176.094 0.001 0.000 1.281 363 V CA 0.112 62.349 62.300 -0.105 0.000 1.143 363 V CB -1.096 30.509 31.823 -0.363 0.000 0.892 363 V HN 0.552 nan 8.190 nan 0.000 0.441 364 G N -0.036 108.774 108.800 0.017 0.000 2.692 364 G HA2 -0.145 3.815 3.960 0.000 0.000 0.686 364 G HA3 -0.145 3.815 3.960 0.000 0.000 0.686 364 G C 0.236 175.202 174.900 0.110 0.000 1.243 364 G CA 0.037 45.173 45.100 0.060 0.000 0.782 364 G HN 0.518 nan 8.290 nan 0.000 0.625 365 S N -0.660 115.096 115.700 0.094 0.000 2.383 365 S HA -0.089 4.381 4.470 0.000 0.000 0.227 365 S C 1.967 176.674 174.600 0.177 0.000 1.026 365 S CA 2.076 60.355 58.200 0.132 0.000 0.981 365 S CB -0.193 63.056 63.200 0.083 0.000 0.818 365 S HN 0.716 nan 8.310 nan 0.000 0.472 366 E N -0.360 119.928 120.200 0.147 0.000 2.028 366 E HA -0.232 4.118 4.350 0.000 0.000 0.191 366 E C 1.917 178.622 176.600 0.175 0.000 0.988 366 E CA 1.369 57.850 56.400 0.134 0.000 0.799 366 E CB -0.333 29.430 29.700 0.104 0.000 0.755 366 E HN 0.786 nan 8.360 nan 0.000 0.447 367 H N -1.336 117.794 119.070 0.099 0.000 2.290 367 H HA -0.219 4.337 4.556 0.000 0.000 0.298 367 H C 2.112 177.503 175.328 0.105 0.000 1.087 367 H CA 1.953 58.057 56.048 0.094 0.000 1.291 367 H CB -0.181 29.636 29.762 0.091 0.000 1.369 367 H HN 0.255 nan 8.280 nan 0.000 0.492 368 Y N 1.561 121.988 120.300 0.211 0.000 2.128 368 Y HA -0.273 4.277 4.550 0.000 0.000 0.284 368 Y C 2.026 177.979 175.900 0.088 0.000 1.154 368 Y CA 2.078 60.248 58.100 0.117 0.000 1.149 368 Y CB -0.401 38.091 38.460 0.053 0.000 0.976 368 Y HN 0.348 nan 8.280 nan 0.000 0.505 369 D N -0.656 119.804 120.400 0.100 0.000 2.117 369 D HA -0.172 4.468 4.640 0.000 0.000 0.197 369 D C 2.423 178.690 176.300 -0.054 0.000 0.987 369 D CA 1.710 55.702 54.000 -0.013 0.000 0.829 369 D CB -0.485 40.360 40.800 0.075 0.000 0.961 369 D HN 0.318 nan 8.370 nan 0.000 0.460 370 V N 1.556 121.469 119.914 -0.002 0.000 2.295 370 V HA -0.246 3.875 4.120 0.000 0.000 0.246 370 V C 2.562 178.616 176.094 -0.067 0.000 1.049 370 V CA 1.816 64.110 62.300 -0.011 0.000 1.024 370 V CB -0.933 30.898 31.823 0.013 0.000 0.648 370 V HN 0.174 nan 8.190 nan 0.000 0.447 371 A N 0.141 122.914 122.820 -0.077 0.000 1.851 371 A HA -0.246 4.074 4.320 0.000 0.000 0.216 371 A C 2.354 179.838 177.584 -0.166 0.000 1.195 371 A CA 1.881 53.851 52.037 -0.112 0.000 0.622 371 A CB -0.590 18.396 19.000 -0.022 0.000 0.831 371 A HN 0.388 nan 8.150 nan 0.000 0.444 372 R N -0.611 119.726 120.500 -0.272 0.000 2.117 372 R HA -0.150 4.190 4.340 0.000 0.000 0.243 372 R C 2.316 178.528 176.300 -0.147 0.000 1.143 372 R CA 1.365 57.302 56.100 -0.272 0.000 0.968 372 R CB -1.417 28.623 30.300 -0.433 0.000 0.863 372 R HN 0.589 nan 8.270 nan 0.000 0.444 373 G N 0.207 108.940 108.800 -0.113 0.000 2.421 373 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 373 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 373 G C 1.597 176.468 174.900 -0.048 0.000 1.171 373 G CA 0.739 45.803 45.100 -0.059 0.000 0.775 373 G HN 0.174 nan 8.290 nan 0.000 0.543 374 V N 0.800 120.674 119.914 -0.066 0.000 2.287 374 V HA -0.286 3.834 4.120 0.000 0.000 0.248 374 V C 2.955 179.015 176.094 -0.057 0.000 1.053 374 V CA 2.399 64.658 62.300 -0.068 0.000 1.027 374 V CB -0.699 31.025 31.823 -0.166 0.000 0.646 374 V HN 0.461 nan 8.190 nan 0.000 0.447 375 Q N -0.153 119.604 119.800 -0.072 0.000 2.061 375 Q HA -0.289 4.051 4.340 0.000 0.000 0.204 375 Q C 2.362 178.346 176.000 -0.025 0.000 0.984 375 Q CA 2.099 57.872 55.803 -0.049 0.000 0.846 375 Q CB -0.311 28.390 28.738 -0.061 0.000 0.902 375 Q HN 0.601 nan 8.270 nan 0.000 0.421 376 K N 0.964 121.345 120.400 -0.031 0.000 2.002 376 K HA -0.163 4.157 4.320 0.000 0.000 0.209 376 K C 2.009 178.614 176.600 0.008 0.000 1.048 376 K CA 1.217 57.496 56.287 -0.013 0.000 0.930 376 K CB -0.212 32.277 32.500 -0.020 0.000 0.714 376 K HN 0.185 nan 8.250 nan 0.000 0.438 377 I N 0.959 121.533 120.570 0.007 0.000 2.361 377 I HA -0.260 3.910 4.170 0.000 0.000 0.251 377 I C 1.813 177.969 176.117 0.064 0.000 1.133 377 I CA 1.014 62.328 61.300 0.025 0.000 1.413 377 I CB 0.110 38.113 38.000 0.005 0.000 1.073 377 I HN 0.275 nan 8.210 nan 0.000 0.424 378 L N -0.215 121.041 121.223 0.055 0.000 2.156 378 L HA -0.199 4.141 4.340 0.000 0.000 0.208 378 L C 2.459 179.390 176.870 0.101 0.000 1.095 378 L CA 1.104 56.006 54.840 0.103 0.000 0.770 378 L CB -0.429 41.668 42.059 0.063 0.000 0.914 378 L HN 0.320 nan 8.230 nan 0.000 0.439 379 Q N -0.258 119.573 119.800 0.051 0.000 2.049 379 Q HA -0.182 4.158 4.340 0.000 0.000 0.198 379 Q C 1.759 177.781 176.000 0.037 0.000 0.971 379 Q CA 1.428 57.248 55.803 0.028 0.000 0.833 379 Q CB 0.014 28.757 28.738 0.009 0.000 0.896 379 Q HN 0.407 nan 8.270 nan 0.000 0.434 380 D N -0.215 120.217 120.400 0.055 0.000 2.178 380 D HA -0.173 4.467 4.640 0.000 0.000 0.201 380 D C 1.576 177.940 176.300 0.106 0.000 0.980 380 D CA 0.936 54.972 54.000 0.060 0.000 0.842 380 D CB -0.212 40.620 40.800 0.054 0.000 0.948 380 D HN 0.234 nan 8.370 nan 0.000 0.472 381 Y N 1.813 122.107 120.300 -0.010 0.000 2.200 381 Y HA -0.094 4.456 4.550 0.000 0.000 0.290 381 Y C 1.878 177.772 175.900 -0.009 0.000 1.137 381 Y CA 1.289 59.384 58.100 -0.008 0.000 1.163 381 Y CB -0.062 38.393 38.460 -0.008 0.000 0.988 381 Y HN -0.169 nan 8.280 nan 0.000 0.518 382 K N -0.873 119.454 120.400 -0.122 0.000 2.283 382 K HA -0.120 4.200 4.320 0.000 0.000 0.202 382 K C 2.399 178.917 176.600 -0.137 0.000 1.048 382 K CA 1.150 57.316 56.287 -0.203 0.000 0.948 382 K CB -0.179 32.261 32.500 -0.099 0.000 0.742 382 K HN 0.216 nan 8.250 nan 0.000 0.458 383 S N 0.643 116.302 115.700 -0.069 0.000 2.470 383 S HA 0.066 4.536 4.470 0.000 0.000 0.225 383 S C 1.624 176.197 174.600 -0.044 0.000 1.006 383 S CA 0.311 58.484 58.200 -0.045 0.000 0.934 383 S CB 0.095 63.285 63.200 -0.016 0.000 0.778 383 S HN 0.189 nan 8.310 nan 0.000 0.517 384 L N 1.121 122.316 121.223 -0.046 0.000 2.509 384 L HA 0.168 4.509 4.340 0.000 0.000 0.222 384 L C 2.528 179.361 176.870 -0.063 0.000 1.123 384 L CA 0.373 55.199 54.840 -0.023 0.000 0.856 384 L CB -0.404 41.680 42.059 0.043 0.000 0.985 384 L HN 0.402 nan 8.230 nan 0.000 0.456 385 Q N 0.712 120.428 119.800 -0.141 0.000 2.152 385 Q HA -0.251 4.089 4.340 0.000 0.000 0.206 385 Q C 1.378 177.330 176.000 -0.080 0.000 0.985 385 Q CA 1.927 57.639 55.803 -0.153 0.000 0.863 385 Q CB 0.146 28.762 28.738 -0.203 0.000 0.904 385 Q HN 0.542 nan 8.270 nan 0.000 0.422 386 D N 0.338 120.701 120.400 -0.062 0.000 2.085 386 D HA -0.141 4.499 4.640 0.000 0.000 0.199 386 D C 1.938 178.223 176.300 -0.026 0.000 0.981 386 D CA 0.984 54.960 54.000 -0.040 0.000 0.834 386 D CB -0.106 40.674 40.800 -0.034 0.000 0.992 386 D HN 0.303 nan 8.370 nan 0.000 0.457 387 I N 1.340 121.898 120.570 -0.019 0.000 2.423 387 I HA -0.186 3.984 4.170 0.000 0.000 0.254 387 I C 2.468 178.582 176.117 -0.004 0.000 1.151 387 I CA 0.816 62.111 61.300 -0.008 0.000 1.421 387 I CB -0.839 37.160 38.000 -0.002 0.000 1.079 387 I HN 0.047 nan 8.210 nan 0.000 0.431 388 I N 0.525 121.092 120.570 -0.005 0.000 2.339 388 I HA -0.133 4.037 4.170 0.000 0.000 0.245 388 I C 2.769 178.884 176.117 -0.002 0.000 1.096 388 I CA 0.914 62.216 61.300 0.004 0.000 1.408 388 I CB -0.516 37.493 38.000 0.015 0.000 1.092 388 I HN 0.077 nan 8.210 nan 0.000 0.423 389 A N 1.540 124.352 122.820 -0.013 0.000 1.849 389 A HA -0.166 4.154 4.320 0.000 0.000 0.216 389 A C 1.156 178.735 177.584 -0.008 0.000 1.225 389 A CA 1.537 53.566 52.037 -0.014 0.000 0.653 389 A CB -1.004 17.983 19.000 -0.023 0.000 0.844 389 A HN 0.297 nan 8.150 nan 0.000 0.453 390 I N 0.085 120.649 120.570 -0.010 0.000 2.276 390 I HA 0.351 4.522 4.170 0.000 0.000 0.290 390 I C 0.592 176.706 176.117 -0.005 0.000 1.109 390 I CA 0.490 61.786 61.300 -0.007 0.000 1.229 390 I CB 1.237 39.232 38.000 -0.008 0.000 1.452 390 I HN 0.474 nan 8.210 nan 0.000 0.497 391 L N 3.822 125.044 121.223 -0.002 0.000 1.229 391 L HA 0.182 4.522 4.340 0.000 0.000 0.063 391 L C 0.077 176.949 176.870 0.003 0.000 1.500 391 L CA 1.031 55.871 54.840 0.000 0.000 1.141 391 L CB -0.698 41.361 42.059 0.000 0.000 2.299 391 L HN 0.606 nan 8.230 nan 0.000 0.443 392 G N 0.699 109.501 108.800 0.004 0.000 2.535 392 G HA2 0.040 4.000 3.960 0.000 0.000 0.662 392 G HA3 0.040 4.000 3.960 0.000 0.000 0.662 392 G C -0.155 174.752 174.900 0.012 0.000 1.417 392 G CA 0.241 45.345 45.100 0.007 0.000 0.866 392 G HN 0.321 nan 8.290 nan 0.000 0.647 393 M N 0.707 120.316 119.600 0.015 0.000 2.254 393 M HA 0.125 4.605 4.480 0.000 0.000 0.265 393 M C 1.439 177.750 176.300 0.018 0.000 1.066 393 M CA 1.947 57.260 55.300 0.022 0.000 1.123 393 M CB -0.015 32.601 32.600 0.026 0.000 1.388 393 M HN 0.460 nan 8.290 nan 0.000 0.425 394 D N 1.002 121.410 120.400 0.014 0.000 2.396 394 D HA -0.056 4.584 4.640 0.000 0.000 0.255 394 D C 0.870 177.176 176.300 0.010 0.000 1.224 394 D CA 0.435 54.442 54.000 0.011 0.000 0.894 394 D CB 0.024 40.829 40.800 0.009 0.000 0.939 394 D HN 0.515 nan 8.370 nan 0.000 0.506 395 E N -0.481 119.726 120.200 0.011 0.000 2.603 395 E HA 0.120 4.470 4.350 0.000 0.000 0.224 395 E C 0.690 177.297 176.600 0.011 0.000 0.896 395 E CA -0.097 56.309 56.400 0.010 0.000 1.224 395 E CB 1.128 30.832 29.700 0.008 0.000 1.206 395 E HN 0.269 nan 8.360 nan 0.000 0.576 396 L N 2.403 123.635 121.223 0.015 0.000 2.467 396 L HA 0.083 4.423 4.340 0.000 0.000 0.270 396 L C 0.985 177.863 176.870 0.015 0.000 1.205 396 L CA -0.147 54.704 54.840 0.017 0.000 0.828 396 L CB 0.398 42.472 42.059 0.026 0.000 1.101 396 L HN -0.037 nan 8.230 nan 0.000 0.479 397 S N 0.348 116.057 115.700 0.014 0.000 2.585 397 S HA 0.071 4.541 4.470 0.000 0.000 0.273 397 S C 0.840 175.447 174.600 0.011 0.000 1.339 397 S CA -0.699 57.508 58.200 0.011 0.000 1.028 397 S CB 0.982 64.188 63.200 0.009 0.000 0.906 397 S HN 0.683 nan 8.310 nan 0.000 0.528 398 E N 1.218 121.423 120.200 0.009 0.000 2.114 398 E HA -0.250 4.100 4.350 0.000 0.000 0.199 398 E C 1.926 178.531 176.600 0.008 0.000 1.008 398 E CA 1.984 58.389 56.400 0.008 0.000 0.810 398 E CB -0.176 29.528 29.700 0.006 0.000 0.739 398 E HN 0.796 nan 8.360 nan 0.000 0.456 399 E N 0.473 120.678 120.200 0.008 0.000 2.051 399 E HA -0.196 4.154 4.350 0.000 0.000 0.192 399 E C 1.787 178.394 176.600 0.011 0.000 0.991 399 E CA 1.343 57.747 56.400 0.008 0.000 0.799 399 E CB -0.034 29.670 29.700 0.008 0.000 0.748 399 E HN 0.231 nan 8.360 nan 0.000 0.449 400 D N 0.709 121.119 120.400 0.016 0.000 2.097 400 D HA -0.128 4.512 4.640 0.000 0.000 0.195 400 D C 1.754 178.071 176.300 0.027 0.000 0.989 400 D CA 1.133 55.149 54.000 0.026 0.000 0.827 400 D CB -0.134 40.683 40.800 0.029 0.000 0.966 400 D HN 0.072 nan 8.370 nan 0.000 0.456 401 K N -0.022 120.391 120.400 0.021 0.000 2.113 401 K HA -0.150 4.170 4.320 0.000 0.000 0.208 401 K C 1.957 178.559 176.600 0.004 0.000 1.047 401 K CA 0.640 56.937 56.287 0.017 0.000 0.928 401 K CB -0.187 32.321 32.500 0.014 0.000 0.716 401 K HN 0.057 nan 8.250 nan 0.000 0.446 402 L N 1.228 122.451 121.223 0.000 0.000 2.109 402 L HA -0.113 4.227 4.340 0.000 0.000 0.207 402 L C 2.260 179.113 176.870 -0.027 0.000 1.086 402 L CA 1.852 56.685 54.840 -0.011 0.000 0.760 402 L CB -0.754 41.302 42.059 -0.005 0.000 0.910 402 L HN 0.313 nan 8.230 nan 0.000 0.437 403 T N -4.649 109.896 114.554 -0.015 0.000 3.007 403 T HA -0.086 4.264 4.350 0.000 0.000 0.270 403 T C 1.769 176.431 174.700 -0.064 0.000 1.107 403 T CA 1.115 63.201 62.100 -0.023 0.000 1.118 403 T CB -0.666 68.209 68.868 0.011 0.000 0.889 403 T HN 0.132 nan 8.240 nan 0.000 0.506 404 V N 2.342 122.222 119.914 -0.056 0.000 2.488 404 V HA -0.097 4.023 4.120 0.000 0.000 0.246 404 V C 3.084 179.027 176.094 -0.251 0.000 1.046 404 V CA 1.599 63.812 62.300 -0.146 0.000 1.053 404 V CB -0.625 31.208 31.823 0.016 0.000 0.679 404 V HN 0.731 nan 8.190 nan 0.000 0.458 405 S N 0.728 116.346 115.700 -0.136 0.000 2.371 405 S HA -0.154 4.316 4.470 0.000 0.000 0.224 405 S C 2.090 176.594 174.600 -0.159 0.000 1.029 405 S CA 0.919 59.044 58.200 -0.124 0.000 0.978 405 S CB -0.403 62.762 63.200 -0.059 0.000 0.833 405 S HN 0.519 nan 8.310 nan 0.000 0.466 406 R N 1.624 122.039 120.500 -0.141 0.000 2.081 406 R HA 0.113 4.453 4.340 0.000 0.000 0.235 406 R C 2.795 178.986 176.300 -0.181 0.000 1.131 406 R CA 1.254 57.264 56.100 -0.150 0.000 0.960 406 R CB -0.847 29.397 30.300 -0.093 0.000 0.856 406 R HN 0.558 nan 8.270 nan 0.000 0.436 407 A N 1.537 124.226 122.820 -0.218 0.000 1.865 407 A HA -0.211 4.109 4.320 0.000 0.000 0.217 407 A C 2.116 179.517 177.584 -0.305 0.000 1.191 407 A CA 1.476 53.355 52.037 -0.263 0.000 0.623 407 A CB -0.461 18.291 19.000 -0.413 0.000 0.826 407 A HN 0.237 nan 8.150 nan 0.000 0.444 408 R N -0.231 120.011 120.500 -0.429 0.000 2.091 408 R HA -0.151 4.189 4.340 0.000 0.000 0.238 408 R C 2.240 178.454 176.300 -0.143 0.000 1.136 408 R CA 1.770 57.703 56.100 -0.278 0.000 0.959 408 R CB -0.364 29.787 30.300 -0.249 0.000 0.856 408 R HN 0.540 nan 8.270 nan 0.000 0.437 409 K N 0.335 120.617 120.400 -0.196 0.000 2.057 409 K HA -0.100 4.220 4.320 0.000 0.000 0.207 409 K C 2.099 178.553 176.600 -0.245 0.000 1.049 409 K CA 1.111 57.212 56.287 -0.310 0.000 0.931 409 K CB -0.121 31.988 32.500 -0.652 0.000 0.714 409 K HN 0.057 nan 8.250 nan 0.000 0.440 410 I N 2.487 122.976 120.570 -0.136 0.000 2.127 410 I HA -0.325 3.845 4.170 0.000 0.000 0.241 410 I C 2.710 178.952 176.117 0.208 0.000 1.075 410 I CA 1.776 63.142 61.300 0.109 0.000 1.334 410 I CB -1.373 36.694 38.000 0.112 0.000 1.040 410 I HN 0.392 nan 8.210 nan 0.000 0.405 411 Q N 0.455 120.311 119.800 0.093 0.000 2.291 411 Q HA -0.182 4.159 4.340 0.000 0.000 0.206 411 Q C 1.874 177.961 176.000 0.144 0.000 0.976 411 Q CA 1.041 56.910 55.803 0.109 0.000 0.875 411 Q CB -0.219 28.564 28.738 0.075 0.000 0.927 411 Q HN 0.422 nan 8.270 nan 0.000 0.450 412 R N -0.245 120.353 120.500 0.164 0.000 2.100 412 R HA 0.012 4.352 4.340 0.000 0.000 0.220 412 R C 1.835 178.310 176.300 0.291 0.000 1.091 412 R CA 0.633 56.881 56.100 0.247 0.000 0.986 412 R CB -0.806 29.667 30.300 0.287 0.000 0.888 412 R HN 0.273 nan 8.270 nan 0.000 0.444 413 F N 1.732 121.741 119.950 0.098 0.000 2.546 413 F HA 0.059 4.586 4.527 0.000 0.000 0.298 413 F C 1.684 177.593 175.800 0.182 0.000 1.120 413 F CA 0.468 58.488 58.000 0.034 0.000 1.456 413 F CB -0.120 38.708 39.000 -0.288 0.000 1.088 413 F HN -0.125 nan 8.300 nan 0.000 0.572 414 L N -0.891 120.484 121.223 0.254 0.000 2.492 414 L HA -0.007 4.333 4.340 0.000 0.000 0.223 414 L C 1.222 178.102 176.870 0.017 0.000 1.132 414 L CA -0.028 54.908 54.840 0.159 0.000 0.850 414 L CB -0.652 41.483 42.059 0.127 0.000 0.966 414 L HN -0.115 nan 8.230 nan 0.000 0.454 415 S N 0.017 115.715 115.700 -0.003 0.000 2.600 415 S HA 0.277 4.747 4.470 0.000 0.000 0.265 415 S C -0.118 174.381 174.600 -0.169 0.000 1.325 415 S CA -0.263 57.877 58.200 -0.100 0.000 1.002 415 S CB 1.272 64.377 63.200 -0.158 0.000 0.921 415 S HN 0.253 nan 8.310 nan 0.000 0.554 416 Q N 0.733 120.383 119.800 -0.251 0.000 2.507 416 Q HA 0.235 4.575 4.340 0.000 0.000 0.248 416 Q C -3.129 172.614 176.000 -0.428 0.000 0.941 416 Q CA -1.349 54.298 55.803 -0.261 0.000 1.003 416 Q CB 1.646 30.295 28.738 -0.148 0.000 1.517 416 Q HN 0.322 nan 8.270 nan 0.000 0.443 417 P HA 0.269 nan 4.420 nan 0.000 0.276 417 P C -1.062 176.212 177.300 -0.043 0.000 1.230 417 P CA -0.059 62.919 63.100 -0.203 0.000 0.776 417 P CB 0.335 31.994 31.700 -0.069 0.000 0.888 418 F N 1.136 121.099 119.950 0.021 0.000 2.432 418 F HA 0.319 4.846 4.527 0.000 0.000 0.329 418 F C 2.021 177.848 175.800 0.044 0.000 1.076 418 F CA -0.806 57.211 58.000 0.030 0.000 1.018 418 F CB 0.900 39.918 39.000 0.031 0.000 1.201 418 F HN 0.339 nan 8.300 nan 0.000 0.489 419 Q N 0.925 120.873 119.800 0.246 0.000 2.046 419 Q HA -0.092 4.249 4.340 0.000 0.000 0.200 419 Q C 2.071 178.154 176.000 0.139 0.000 0.975 419 Q CA 1.317 57.203 55.803 0.140 0.000 0.836 419 Q CB -0.342 28.444 28.738 0.080 0.000 0.896 419 Q HN 0.531 nan 8.270 nan 0.000 0.428 420 V N 0.998 120.994 119.914 0.137 0.000 2.439 420 V HA -0.281 3.840 4.120 0.000 0.000 0.253 420 V C 1.551 177.789 176.094 0.240 0.000 1.074 420 V CA 1.772 64.155 62.300 0.138 0.000 1.076 420 V CB -0.568 31.307 31.823 0.085 0.000 0.664 420 V HN 0.420 nan 8.190 nan 0.000 0.461 421 A N -1.325 121.664 122.820 0.282 0.000 2.684 421 A HA 0.237 4.557 4.320 0.000 0.000 0.288 421 A C 1.533 179.295 177.584 0.298 0.000 1.337 421 A CA -0.151 52.123 52.037 0.396 0.000 0.946 421 A CB -0.289 18.862 19.000 0.251 0.000 1.093 421 A HN 0.568 nan 8.150 nan 0.000 0.543 422 E N -0.827 119.476 120.200 0.171 0.000 2.299 422 E HA -0.056 4.294 4.350 0.000 0.000 0.193 422 E C 1.313 177.914 176.600 0.001 0.000 0.998 422 E CA 0.631 57.085 56.400 0.091 0.000 0.851 422 E CB 0.147 29.879 29.700 0.054 0.000 0.795 422 E HN 0.442 nan 8.360 nan 0.000 0.492 423 V N 0.304 120.138 119.914 -0.132 0.000 2.871 423 V HA -0.143 3.977 4.120 0.000 0.000 0.256 423 V C 1.207 177.011 176.094 -0.484 0.000 1.082 423 V CA 1.403 63.461 62.300 -0.403 0.000 1.105 423 V CB -0.288 31.129 31.823 -0.678 0.000 0.713 423 V HN 0.239 nan 8.190 nan 0.000 0.473 424 F N -0.086 119.873 119.950 0.015 0.000 2.653 424 F HA 0.068 4.596 4.527 0.000 0.000 0.288 424 F C 2.429 178.242 175.800 0.021 0.000 1.121 424 F CA 0.957 58.962 58.000 0.008 0.000 1.384 424 F CB -0.658 38.336 39.000 -0.010 0.000 1.115 424 F HN 0.181 nan 8.300 nan 0.000 0.599 425 T N -3.685 111.003 114.554 0.224 0.000 3.040 425 T HA 0.403 4.753 4.350 0.000 0.000 0.252 425 T C 1.982 176.851 174.700 0.282 0.000 1.064 425 T CA 0.742 62.956 62.100 0.190 0.000 1.110 425 T CB 0.105 69.049 68.868 0.127 0.000 0.921 425 T HN 0.408 nan 8.240 nan 0.000 0.480 426 G N 1.183 110.088 108.800 0.175 0.000 2.205 426 G HA2 -0.232 3.728 3.960 0.000 0.000 0.261 426 G HA3 -0.232 3.728 3.960 0.000 0.000 0.261 426 G C -0.132 174.782 174.900 0.024 0.000 0.980 426 G CA 0.374 45.525 45.100 0.085 0.000 0.632 426 G HN 0.783 nan 8.290 nan 0.000 0.533 427 H N -0.810 118.270 119.070 0.016 0.000 2.463 427 H HA 0.635 5.191 4.556 0.000 0.000 0.332 427 H C 0.349 175.687 175.328 0.016 0.000 1.127 427 H CA -0.764 55.291 56.048 0.010 0.000 1.238 427 H CB 1.535 31.299 29.762 0.003 0.000 1.478 427 H HN 0.259 nan 8.280 nan 0.000 0.499 428 L N 2.238 123.515 121.223 0.091 0.000 2.455 428 L HA 0.288 4.628 4.340 0.000 0.000 0.272 428 L C 0.935 177.857 176.870 0.088 0.000 1.174 428 L CA 0.345 55.225 54.840 0.066 0.000 0.869 428 L CB 0.257 42.334 42.059 0.030 0.000 1.130 428 L HN 0.811 nan 8.230 nan 0.000 0.474 429 G N 3.826 112.683 108.800 0.095 0.000 2.634 429 G HA2 0.346 4.307 3.960 0.000 0.000 0.255 429 G HA3 0.346 4.307 3.960 0.000 0.000 0.255 429 G C -0.757 174.203 174.900 0.100 0.000 1.205 429 G CA -0.576 44.599 45.100 0.126 0.000 0.884 429 G HN 0.530 nan 8.290 nan 0.000 0.549 430 K N 0.153 120.628 120.400 0.126 0.000 2.427 430 K HA 0.342 4.662 4.320 0.000 0.000 0.252 430 K C -1.505 175.154 176.600 0.098 0.000 0.931 430 K CA -0.937 55.402 56.287 0.087 0.000 0.793 430 K CB 2.422 34.956 32.500 0.056 0.000 1.211 430 K HN 0.274 nan 8.250 nan 0.000 0.426 431 L N 4.051 125.307 121.223 0.055 0.000 2.313 431 L HA 0.324 4.664 4.340 0.000 0.000 0.273 431 L C -1.144 175.741 176.870 0.024 0.000 1.028 431 L CA -0.801 54.059 54.840 0.033 0.000 0.871 431 L CB 0.830 42.893 42.059 0.006 0.000 1.242 431 L HN 0.261 nan 8.230 nan 0.000 0.434 432 V N 7.449 127.379 119.914 0.028 0.000 2.408 432 V HA 0.341 4.461 4.120 0.000 0.000 0.267 432 V C -1.807 174.302 176.094 0.026 0.000 1.047 432 V CA -1.361 60.953 62.300 0.024 0.000 0.937 432 V CB 0.807 32.636 31.823 0.010 0.000 0.999 432 V HN 0.643 nan 8.190 nan 0.000 0.472 433 P HA 0.058 nan 4.420 nan 0.000 0.268 433 P C 0.798 178.125 177.300 0.045 0.000 1.204 433 P CA -0.302 62.817 63.100 0.031 0.000 0.768 433 P CB 0.928 32.645 31.700 0.028 0.000 0.842 434 L N 4.642 125.898 121.223 0.054 0.000 2.010 434 L HA -0.260 4.080 4.340 0.000 0.000 0.219 434 L C 2.132 179.032 176.870 0.050 0.000 1.077 434 L CA 2.139 57.016 54.840 0.061 0.000 0.773 434 L CB -0.955 41.161 42.059 0.096 0.000 0.892 434 L HN 0.336 nan 8.230 nan 0.000 0.436 435 K N -1.086 119.348 120.400 0.057 0.000 2.152 435 K HA -0.177 4.143 4.320 0.000 0.000 0.206 435 K C 2.010 178.649 176.600 0.066 0.000 1.048 435 K CA 1.225 57.546 56.287 0.056 0.000 0.933 435 K CB -0.109 32.424 32.500 0.056 0.000 0.721 435 K HN 0.354 nan 8.250 nan 0.000 0.447 436 E N 0.129 120.371 120.200 0.070 0.000 2.106 436 E HA -0.100 4.250 4.350 0.000 0.000 0.192 436 E C 1.998 178.676 176.600 0.130 0.000 0.984 436 E CA 1.143 57.598 56.400 0.091 0.000 0.806 436 E CB -0.189 29.558 29.700 0.080 0.000 0.750 436 E HN 0.211 nan 8.360 nan 0.000 0.458 437 T N 1.519 116.142 114.554 0.116 0.000 2.674 437 T HA -0.076 4.274 4.350 0.000 0.000 0.265 437 T C 2.110 176.967 174.700 0.260 0.000 1.039 437 T CA 0.993 63.201 62.100 0.180 0.000 1.150 437 T CB -0.245 68.693 68.868 0.116 0.000 0.864 437 T HN 0.110 nan 8.240 nan 0.000 0.427 438 I N 0.767 121.394 120.570 0.096 0.000 2.194 438 I HA -0.253 3.917 4.170 0.000 0.000 0.246 438 I C 2.523 178.727 176.117 0.145 0.000 1.093 438 I CA 1.522 62.849 61.300 0.046 0.000 1.355 438 I CB -0.294 37.664 38.000 -0.070 0.000 1.046 438 I HN 0.247 nan 8.210 nan 0.000 0.413 439 K N 0.514 120.996 120.400 0.136 0.000 2.031 439 K HA -0.046 4.274 4.320 0.000 0.000 0.205 439 K C 2.242 178.937 176.600 0.157 0.000 1.049 439 K CA 1.245 57.609 56.287 0.128 0.000 0.939 439 K CB -0.558 32.002 32.500 0.098 0.000 0.717 439 K HN 0.408 nan 8.250 nan 0.000 0.438 440 G N 1.530 110.447 108.800 0.195 0.000 2.553 440 G HA2 -0.273 3.688 3.960 0.000 0.000 0.218 440 G HA3 -0.273 3.688 3.960 0.000 0.000 0.218 440 G C 1.295 176.209 174.900 0.023 0.000 1.195 440 G CA 1.108 46.288 45.100 0.134 0.000 0.779 440 G HN 0.151 nan 8.290 nan 0.000 0.577 441 F N 0.708 120.820 119.950 0.270 0.000 2.186 441 F HA -0.014 4.513 4.527 0.000 0.000 0.299 441 F C 2.890 178.728 175.800 0.062 0.000 1.090 441 F CA 1.502 59.596 58.000 0.158 0.000 1.307 441 F CB -0.394 38.687 39.000 0.136 0.000 1.019 441 F HN 0.185 nan 8.300 nan 0.000 0.489 442 Q N 0.368 120.303 119.800 0.226 0.000 2.135 442 Q HA -0.261 4.079 4.340 0.000 0.000 0.204 442 Q C 2.031 178.070 176.000 0.065 0.000 0.981 442 Q CA 1.793 57.667 55.803 0.119 0.000 0.856 442 Q CB -0.091 28.702 28.738 0.093 0.000 0.902 442 Q HN 0.539 nan 8.270 nan 0.000 0.425 443 Q N -0.175 119.662 119.800 0.061 0.000 2.123 443 Q HA -0.092 4.248 4.340 0.000 0.000 0.199 443 Q C 2.145 178.137 176.000 -0.013 0.000 0.966 443 Q CA 1.142 56.940 55.803 -0.009 0.000 0.845 443 Q CB 0.032 28.782 28.738 0.019 0.000 0.907 443 Q HN 0.451 nan 8.270 nan 0.000 0.439 444 I N 0.739 121.334 120.570 0.041 0.000 2.142 444 I HA -0.298 3.872 4.170 0.000 0.000 0.240 444 I C 2.245 178.348 176.117 -0.023 0.000 1.078 444 I CA 1.167 62.454 61.300 -0.022 0.000 1.343 444 I CB -0.324 37.569 38.000 -0.178 0.000 1.046 444 I HN 0.201 nan 8.210 nan 0.000 0.405 445 L N 0.692 121.926 121.223 0.018 0.000 2.042 445 L HA -0.241 4.099 4.340 0.000 0.000 0.210 445 L C 2.867 179.733 176.870 -0.006 0.000 1.076 445 L CA 1.434 56.281 54.840 0.012 0.000 0.749 445 L CB -0.733 41.347 42.059 0.036 0.000 0.893 445 L HN 0.278 nan 8.230 nan 0.000 0.432 446 A N -0.475 122.338 122.820 -0.011 0.000 1.978 446 A HA -0.070 4.250 4.320 0.000 0.000 0.220 446 A C 1.846 179.406 177.584 -0.040 0.000 1.170 446 A CA 1.600 53.620 52.037 -0.028 0.000 0.636 446 A CB -0.708 18.266 19.000 -0.043 0.000 0.810 446 A HN 0.631 nan 8.150 nan 0.000 0.448 447 G N -1.434 107.338 108.800 -0.047 0.000 2.144 447 G HA2 -0.211 3.749 3.960 0.000 0.000 0.218 447 G HA3 -0.211 3.749 3.960 0.000 0.000 0.218 447 G C 0.254 175.123 174.900 -0.052 0.000 0.988 447 G CA 0.491 45.571 45.100 -0.034 0.000 0.659 447 G HN 0.593 nan 8.290 nan 0.000 0.522 448 E N -0.852 119.249 120.200 -0.165 0.000 2.516 448 E HA 0.142 4.492 4.350 0.000 0.000 0.199 448 E C 0.461 176.816 176.600 -0.408 0.000 1.069 448 E CA 0.513 56.724 56.400 -0.315 0.000 0.876 448 E CB -0.001 29.393 29.700 -0.508 0.000 0.843 448 E HN 0.694 nan 8.360 nan 0.000 0.530 449 Y N -0.848 119.488 120.300 0.060 0.000 2.768 449 Y HA 0.138 4.688 4.550 0.000 0.000 0.249 449 Y C 0.620 176.473 175.900 -0.079 0.000 1.146 449 Y CA -0.884 57.178 58.100 -0.063 0.000 1.171 449 Y CB 0.506 39.001 38.460 0.057 0.000 1.249 449 Y HN -0.061 nan 8.280 nan 0.000 0.567 450 D N 0.018 120.505 120.400 0.145 0.000 2.378 450 D HA -0.116 4.524 4.640 0.000 0.000 0.222 450 D C 1.432 177.808 176.300 0.128 0.000 0.980 450 D CA 1.116 55.179 54.000 0.106 0.000 0.907 450 D CB -0.055 40.797 40.800 0.088 0.000 0.899 450 D HN 0.614 nan 8.370 nan 0.000 0.527 451 H N -0.826 118.301 119.070 0.096 0.000 2.519 451 H HA 0.297 4.853 4.556 0.000 0.000 0.289 451 H C 0.254 175.628 175.328 0.077 0.000 1.040 451 H CA -0.166 55.923 56.048 0.069 0.000 1.165 451 H CB -0.204 29.587 29.762 0.049 0.000 1.462 451 H HN 0.036 nan 8.280 nan 0.000 0.555 452 L N 1.384 122.538 121.223 -0.116 0.000 2.333 452 L HA 0.505 4.845 4.340 0.000 0.000 0.263 452 L C -2.447 174.435 176.870 0.020 0.000 1.014 452 L CA -2.430 52.352 54.840 -0.097 0.000 0.820 452 L CB 2.139 44.066 42.059 -0.220 0.000 1.352 452 L HN -0.053 nan 8.230 nan 0.000 0.421 453 P HA 0.203 nan 4.420 nan 0.000 0.279 453 P C -0.090 177.260 177.300 0.084 0.000 1.239 453 P CA -0.416 62.697 63.100 0.022 0.000 0.789 453 P CB 1.051 32.742 31.700 -0.014 0.000 0.933 454 E N 1.305 121.573 120.200 0.113 0.000 2.068 454 E HA -0.271 4.079 4.350 0.000 0.000 0.207 454 E C 1.547 178.262 176.600 0.192 0.000 1.032 454 E CA 1.243 57.750 56.400 0.179 0.000 0.839 454 E CB -0.355 29.385 29.700 0.067 0.000 0.758 454 E HN 0.493 nan 8.360 nan 0.000 0.457 455 Q N -0.272 119.571 119.800 0.073 0.000 2.522 455 Q HA -0.122 4.218 4.340 0.000 0.000 0.216 455 Q C 1.867 177.893 176.000 0.044 0.000 0.986 455 Q CA 1.019 56.861 55.803 0.064 0.000 0.901 455 Q CB -0.140 28.602 28.738 0.006 0.000 0.954 455 Q HN 0.341 nan 8.270 nan 0.000 0.502 456 A N -0.866 121.906 122.820 -0.080 0.000 2.016 456 A HA -0.037 4.283 4.320 0.000 0.000 0.217 456 A C 1.259 178.584 177.584 -0.431 0.000 1.162 456 A CA 0.520 52.356 52.037 -0.336 0.000 0.662 456 A CB -0.243 18.403 19.000 -0.591 0.000 0.812 456 A HN 0.281 nan 8.150 nan 0.000 0.450 457 F N -2.505 117.429 119.950 -0.028 0.000 2.727 457 F HA 0.230 4.757 4.527 0.000 0.000 0.302 457 F C 0.553 176.439 175.800 0.144 0.000 1.097 457 F CA -0.608 57.402 58.000 0.016 0.000 1.330 457 F CB -0.199 38.775 39.000 -0.044 0.000 1.084 457 F HN 0.274 nan 8.300 nan 0.000 0.578 458 Y N 2.316 122.698 120.300 0.136 0.000 2.393 458 Y HA 0.347 4.897 4.550 0.000 0.000 0.338 458 Y C 0.489 176.412 175.900 0.038 0.000 1.029 458 Y CA -1.518 56.630 58.100 0.079 0.000 1.239 458 Y CB 0.163 38.645 38.460 0.036 0.000 1.170 458 Y HN 0.092 nan 8.280 nan 0.000 0.515 459 M N 6.433 125.727 119.600 -0.510 0.000 2.981 459 M HA -0.152 4.328 4.480 0.000 0.000 0.176 459 M C -1.286 174.895 176.300 -0.198 0.000 1.201 459 M CA 0.999 56.010 55.300 -0.483 0.000 0.743 459 M CB -2.614 29.533 32.600 -0.755 0.000 1.223 459 M HN 0.538 nan 8.290 nan 0.000 0.747 460 V N -2.420 117.440 119.914 -0.090 0.000 3.165 460 V HA 1.089 5.209 4.120 0.000 0.000 0.309 460 V C 0.519 176.608 176.094 -0.008 0.000 1.267 460 V CA -0.113 62.177 62.300 -0.015 0.000 1.067 460 V CB 1.620 33.464 31.823 0.036 0.000 1.082 460 V HN 0.491 nan 8.190 nan 0.000 0.451 461 G N -0.069 108.746 108.800 0.025 0.000 2.964 461 G HA2 0.489 4.449 3.960 0.000 0.000 0.191 461 G HA3 0.489 4.449 3.960 0.000 0.000 0.191 461 G C -2.250 172.690 174.900 0.068 0.000 1.978 461 G CA -0.193 44.917 45.100 0.017 0.000 0.861 461 G HN 0.772 nan 8.290 nan 0.000 0.584 462 P HA 0.151 nan 4.420 nan 0.000 0.272 462 P C 0.738 178.170 177.300 0.220 0.000 1.230 462 P CA -0.569 62.625 63.100 0.157 0.000 0.788 462 P CB 1.463 33.214 31.700 0.085 0.000 0.949 463 I N 1.378 122.080 120.570 0.221 0.000 2.248 463 I HA -0.281 3.889 4.170 0.000 0.000 0.248 463 I C 1.824 177.838 176.117 -0.171 0.000 1.107 463 I CA 1.863 63.108 61.300 -0.091 0.000 1.373 463 I CB -0.790 37.139 38.000 -0.119 0.000 1.055 463 I HN 0.281 nan 8.210 nan 0.000 0.418 464 E N 0.606 120.773 120.200 -0.055 0.000 2.085 464 E HA -0.250 4.100 4.350 0.000 0.000 0.194 464 E C 2.113 178.648 176.600 -0.109 0.000 0.994 464 E CA 1.644 58.004 56.400 -0.067 0.000 0.801 464 E CB -0.357 29.335 29.700 -0.012 0.000 0.743 464 E HN 0.574 nan 8.360 nan 0.000 0.453 465 E N -0.252 119.907 120.200 -0.068 0.000 2.333 465 E HA -0.161 4.189 4.350 0.000 0.000 0.198 465 E C 1.742 178.248 176.600 -0.157 0.000 1.007 465 E CA 0.640 56.996 56.400 -0.073 0.000 0.845 465 E CB -0.049 29.642 29.700 -0.014 0.000 0.766 465 E HN 0.291 nan 8.360 nan 0.000 0.507 466 A N 0.537 123.190 122.820 -0.278 0.000 1.878 466 A HA -0.074 4.246 4.320 0.000 0.000 0.213 466 A C 2.427 179.673 177.584 -0.562 0.000 1.192 466 A CA 0.601 52.315 52.037 -0.540 0.000 0.619 466 A CB -0.421 18.038 19.000 -0.902 0.000 0.837 466 A HN 0.107 nan 8.150 nan 0.000 0.446 467 V N 0.316 119.937 119.914 -0.489 0.000 2.392 467 V HA -0.273 3.847 4.120 0.000 0.000 0.249 467 V C 2.973 178.944 176.094 -0.205 0.000 1.059 467 V CA 2.013 64.112 62.300 -0.335 0.000 1.051 467 V CB -1.361 30.349 31.823 -0.188 0.000 0.658 467 V HN 0.605 nan 8.190 nan 0.000 0.455 468 A N 0.124 122.844 122.820 -0.166 0.000 1.841 468 A HA -0.231 4.090 4.320 0.000 0.000 0.214 468 A C 2.312 179.830 177.584 -0.111 0.000 1.195 468 A CA 1.942 53.916 52.037 -0.106 0.000 0.611 468 A CB -0.589 18.365 19.000 -0.076 0.000 0.835 468 A HN 0.490 nan 8.150 nan 0.000 0.443 469 K N -0.160 120.162 120.400 -0.131 0.000 2.228 469 K HA -0.196 4.124 4.320 0.000 0.000 0.205 469 K C 1.915 178.443 176.600 -0.119 0.000 1.045 469 K CA 1.399 57.620 56.287 -0.109 0.000 0.931 469 K CB -0.306 32.125 32.500 -0.115 0.000 0.727 469 K HN 0.414 nan 8.250 nan 0.000 0.458 470 A N 1.332 124.050 122.820 -0.170 0.000 1.873 470 A HA -0.167 4.153 4.320 0.000 0.000 0.215 470 A C 1.657 179.190 177.584 -0.086 0.000 1.186 470 A CA 1.770 53.716 52.037 -0.152 0.000 0.616 470 A CB -0.460 18.415 19.000 -0.207 0.000 0.823 470 A HN 0.392 nan 8.150 nan 0.000 0.442 471 D N -0.280 120.076 120.400 -0.072 0.000 2.149 471 D HA -0.171 4.469 4.640 0.000 0.000 0.198 471 D C 1.499 177.779 176.300 -0.033 0.000 0.990 471 D CA 1.499 55.474 54.000 -0.041 0.000 0.839 471 D CB -0.253 40.527 40.800 -0.034 0.000 0.948 471 D HN 0.345 nan 8.370 nan 0.000 0.460 472 K N -0.028 120.350 120.400 -0.036 0.000 2.391 472 K HA -0.277 4.043 4.320 0.000 0.000 0.176 472 K C 1.597 178.187 176.600 -0.016 0.000 0.702 472 K CA 2.001 58.273 56.287 -0.024 0.000 0.958 472 K CB -1.096 31.390 32.500 -0.023 0.000 0.547 472 K HN 0.233 nan 8.250 nan 0.000 0.891 473 L N -2.459 118.756 121.223 -0.013 0.000 2.541 473 L HA 0.474 4.815 4.340 0.000 0.000 0.187 473 L C 0.755 177.620 176.870 -0.009 0.000 1.098 473 L CA 0.238 55.072 54.840 -0.009 0.000 0.846 473 L CB 0.189 42.245 42.059 -0.006 0.000 1.151 473 L HN 0.502 nan 8.230 nan 0.000 0.492 474 A N 0.000 122.814 122.820 -0.010 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