REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2jiz_1_M 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 0.000 174.849 174.700 0.249 0.000 1.109 9 T CA 0.000 62.201 62.100 0.168 0.000 1.349 9 T CB 0.000 68.938 68.868 0.117 0.000 0.612 10 T N 1.335 115.977 114.554 0.148 0.000 2.756 10 T HA 0.642 4.993 4.350 0.001 0.000 0.290 10 T C 0.179 174.742 174.700 -0.227 0.000 0.985 10 T CA 0.170 62.276 62.100 0.010 0.000 0.955 10 T CB 0.208 69.062 68.868 -0.022 0.000 0.930 10 T HN 0.869 nan 8.240 nan 0.000 0.451 11 G N 3.796 112.202 108.800 -0.658 0.000 2.521 11 G HA2 0.709 4.670 3.960 0.001 0.000 0.323 11 G HA3 0.709 4.670 3.960 0.001 0.000 0.323 11 G C -0.972 173.585 174.900 -0.572 0.000 1.211 11 G CA -0.883 43.488 45.100 -1.216 0.000 0.979 11 G HN 0.750 nan 8.290 nan 0.000 0.490 12 R N -0.575 119.648 120.500 -0.461 0.000 2.628 12 R HA 0.330 4.671 4.340 0.001 0.000 0.288 12 R C -0.481 175.708 176.300 -0.184 0.000 0.980 12 R CA -0.801 55.154 56.100 -0.242 0.000 0.891 12 R CB 2.454 32.654 30.300 -0.166 0.000 1.188 12 R HN 0.382 nan 8.270 nan 0.000 0.450 13 I N 3.491 123.988 120.570 -0.122 0.000 2.598 13 I HA -0.078 4.093 4.170 0.001 0.000 0.284 13 I C 1.549 177.630 176.117 -0.060 0.000 1.140 13 I CA 0.207 61.462 61.300 -0.075 0.000 1.420 13 I CB 0.869 38.838 38.000 -0.051 0.000 1.387 13 I HN 0.559 nan 8.210 nan 0.000 0.553 14 V N 3.020 122.908 119.914 -0.044 0.000 3.621 14 V HA 0.575 4.695 4.120 0.001 0.000 0.263 14 V C 0.568 176.650 176.094 -0.020 0.000 1.272 14 V CA 0.317 62.598 62.300 -0.032 0.000 1.080 14 V CB 0.129 31.935 31.823 -0.028 0.000 0.816 14 V HN 0.750 nan 8.190 nan 0.000 0.451 15 A N -0.288 122.523 122.820 -0.015 0.000 2.577 15 A HA 0.785 5.106 4.320 0.001 0.000 0.297 15 A C -1.335 176.245 177.584 -0.007 0.000 1.060 15 A CA -0.346 51.685 52.037 -0.009 0.000 0.697 15 A CB 2.069 21.067 19.000 -0.004 0.000 1.281 15 A HN 0.537 nan 8.150 nan 0.000 0.402 16 V N 2.344 122.254 119.914 -0.006 0.000 2.569 16 V HA 0.614 4.735 4.120 0.001 0.000 0.301 16 V C -1.221 174.871 176.094 -0.004 0.000 1.044 16 V CA -0.220 62.077 62.300 -0.004 0.000 0.874 16 V CB 1.511 33.330 31.823 -0.006 0.000 1.002 16 V HN 0.928 nan 8.190 nan 0.000 0.424 17 I N 4.964 125.533 120.570 -0.002 0.000 2.476 17 I HA 0.798 4.968 4.170 0.001 0.000 0.281 17 I C 0.682 176.796 176.117 -0.004 0.000 1.040 17 I CA 1.168 62.466 61.300 -0.003 0.000 1.094 17 I CB 0.977 38.975 38.000 -0.003 0.000 1.219 17 I HN 0.900 nan 8.210 nan 0.000 0.450 18 G N 5.838 114.635 108.800 -0.004 0.000 2.672 18 G HA2 -0.348 3.612 3.960 0.001 0.000 0.324 18 G HA3 -0.348 3.612 3.960 0.001 0.000 0.324 18 G C 0.959 175.857 174.900 -0.004 0.000 1.286 18 G CA 0.777 45.874 45.100 -0.005 0.000 1.004 18 G HN 1.561 nan 8.290 nan 0.000 0.548 19 A N -0.878 121.939 122.820 -0.005 0.000 2.206 19 A HA 0.510 4.831 4.320 0.001 0.000 0.211 19 A C 1.096 178.681 177.584 0.002 0.000 1.158 19 A CA 1.744 53.780 52.037 -0.002 0.000 0.761 19 A CB -0.038 18.958 19.000 -0.007 0.000 0.801 19 A HN 1.330 nan 8.150 nan 0.000 0.473 20 V N 1.069 120.983 119.914 0.001 0.000 2.370 20 V HA 0.397 4.518 4.120 0.001 0.000 0.279 20 V C -0.640 175.458 176.094 0.008 0.000 1.029 20 V CA -0.364 61.940 62.300 0.006 0.000 0.870 20 V CB 1.299 33.124 31.823 0.003 0.000 0.984 20 V HN 0.077 nan 8.190 nan 0.000 0.451 21 V N 4.139 124.062 119.914 0.014 0.000 2.483 21 V HA 0.469 4.590 4.120 0.001 0.000 0.297 21 V C -0.810 175.297 176.094 0.022 0.000 1.027 21 V CA -0.806 61.502 62.300 0.013 0.000 0.855 21 V CB 2.095 33.926 31.823 0.013 0.000 0.995 21 V HN 0.778 nan 8.190 nan 0.000 0.424 22 D N 3.291 123.701 120.400 0.015 0.000 2.198 22 D HA 0.600 5.241 4.640 0.001 0.000 0.245 22 D C -0.507 175.801 176.300 0.013 0.000 1.079 22 D CA -0.026 53.988 54.000 0.023 0.000 0.854 22 D CB 2.227 43.036 40.800 0.015 0.000 1.148 22 D HN 0.272 nan 8.370 nan 0.000 0.456 23 V N 2.170 122.107 119.914 0.039 0.000 2.588 23 V HA 0.318 4.438 4.120 0.001 0.000 0.304 23 V C -0.209 175.897 176.094 0.021 0.000 1.042 23 V CA -0.925 61.374 62.300 -0.003 0.000 0.877 23 V CB 1.957 33.801 31.823 0.035 0.000 0.996 23 V HN 0.400 nan 8.190 nan 0.000 0.425 24 Q N 3.060 122.799 119.800 -0.101 0.000 2.307 24 Q HA 0.608 4.948 4.340 0.001 0.000 0.262 24 Q C -1.917 173.978 176.000 -0.174 0.000 0.961 24 Q CA -0.462 55.312 55.803 -0.047 0.000 0.882 24 Q CB 1.274 29.982 28.738 -0.051 0.000 1.264 24 Q HN 0.630 nan 8.270 nan 0.000 0.446 25 F N 2.958 122.875 119.950 -0.055 0.000 2.426 25 F HA 0.221 4.749 4.527 0.001 0.000 0.348 25 F C 0.671 176.445 175.800 -0.043 0.000 1.124 25 F CA -0.704 57.267 58.000 -0.049 0.000 1.008 25 F CB 1.640 40.604 39.000 -0.060 0.000 1.139 25 F HN 0.660 nan 8.300 nan 0.000 0.452 26 D N 1.487 121.942 120.400 0.092 0.000 2.117 26 D HA -0.078 4.562 4.640 0.001 0.000 0.198 26 D C 0.222 176.561 176.300 0.065 0.000 0.982 26 D CA 1.591 55.623 54.000 0.053 0.000 0.828 26 D CB 0.241 41.053 40.800 0.019 0.000 0.967 26 D HN 0.553 nan 8.370 nan 0.000 0.464 27 E N -1.885 118.370 120.200 0.092 0.000 2.343 27 E HA 0.556 4.907 4.350 0.001 0.000 0.270 27 E C -0.489 176.158 176.600 0.077 0.000 0.895 27 E CA -0.598 55.842 56.400 0.066 0.000 0.767 27 E CB 2.267 31.994 29.700 0.044 0.000 1.248 27 E HN 0.054 nan 8.360 nan 0.000 0.440 28 G N 1.822 110.632 108.800 0.016 0.000 2.434 28 G HA2 -0.237 3.724 3.960 0.001 0.000 0.224 28 G HA3 -0.237 3.724 3.960 0.001 0.000 0.224 28 G C -0.858 173.952 174.900 -0.150 0.000 0.807 28 G CA -0.274 44.803 45.100 -0.039 0.000 1.113 28 G HN 0.249 nan 8.290 nan 0.000 0.327 29 L N 5.617 126.728 121.223 -0.186 0.000 2.319 29 L HA 0.522 4.862 4.340 0.001 0.000 0.280 29 L C -1.095 175.563 176.870 -0.353 0.000 1.099 29 L CA -1.878 52.742 54.840 -0.366 0.000 0.828 29 L CB 0.741 42.614 42.059 -0.310 0.000 1.150 29 L HN 0.411 nan 8.230 nan 0.000 0.442 30 P HA 0.209 nan 4.420 nan 0.000 0.271 30 P C -2.694 174.599 177.300 -0.012 0.000 1.226 30 P CA -1.268 61.649 63.100 -0.304 0.000 0.765 30 P CB 0.186 31.629 31.700 -0.428 0.000 0.835 31 P HA 0.084 nan 4.420 nan 0.000 0.270 31 P C 0.512 177.803 177.300 -0.014 0.000 1.227 31 P CA -0.041 63.071 63.100 0.019 0.000 0.788 31 P CB 0.652 32.325 31.700 -0.045 0.000 0.926 32 I N 1.546 122.030 120.570 -0.144 0.000 2.775 32 I HA -0.134 4.036 4.170 0.001 0.000 0.290 32 I C 1.536 177.577 176.117 -0.126 0.000 1.203 32 I CA 0.637 61.855 61.300 -0.137 0.000 1.433 32 I CB -0.407 37.471 38.000 -0.203 0.000 1.354 32 I HN 0.429 nan 8.210 nan 0.000 0.579 33 L N 1.954 123.101 121.223 -0.126 0.000 4.110 33 L HA -0.250 4.090 4.340 0.001 0.000 0.404 33 L C 0.285 177.111 176.870 -0.073 0.000 0.763 33 L CA 0.104 54.833 54.840 -0.185 0.000 2.413 33 L CB -1.568 40.280 42.059 -0.351 0.000 1.244 33 L HN 0.677 nan 8.230 nan 0.000 0.614 34 N N 1.319 119.993 118.700 -0.043 0.000 2.454 34 N HA 0.441 5.181 4.740 0.001 0.000 0.254 34 N C 0.268 175.785 175.510 0.011 0.000 1.228 34 N CA 0.998 54.038 53.050 -0.015 0.000 0.900 34 N CB 0.803 39.271 38.487 -0.032 0.000 1.089 34 N HN 0.318 nan 8.380 nan 0.000 0.449 35 A N 2.845 125.678 122.820 0.022 0.000 2.289 35 A HA 0.521 4.841 4.320 0.001 0.000 0.298 35 A C -0.307 177.299 177.584 0.036 0.000 1.208 35 A CA -0.554 51.504 52.037 0.034 0.000 0.845 35 A CB -0.009 19.010 19.000 0.033 0.000 1.125 35 A HN 0.622 nan 8.150 nan 0.000 0.517 36 L N 2.125 123.382 121.223 0.056 0.000 2.331 36 L HA 0.513 4.854 4.340 0.001 0.000 0.275 36 L C -0.196 176.710 176.870 0.059 0.000 1.022 36 L CA -0.821 54.069 54.840 0.083 0.000 0.812 36 L CB 1.507 43.651 42.059 0.143 0.000 1.257 36 L HN 0.577 nan 8.230 nan 0.000 0.435 37 E N 2.449 122.681 120.200 0.053 0.000 2.113 37 E HA 0.299 4.650 4.350 0.001 0.000 0.273 37 E C -0.782 175.833 176.600 0.025 0.000 0.924 37 E CA -0.625 55.793 56.400 0.030 0.000 0.764 37 E CB 2.425 32.136 29.700 0.018 0.000 1.104 37 E HN 0.202 nan 8.360 nan 0.000 0.406 38 V N 4.265 124.188 119.914 0.015 0.000 2.508 38 V HA -0.013 4.107 4.120 0.001 0.000 0.281 38 V C 0.685 176.776 176.094 -0.004 0.000 1.041 38 V CA -0.356 61.944 62.300 0.001 0.000 1.016 38 V CB 0.751 32.573 31.823 -0.001 0.000 0.984 38 V HN 0.481 nan 8.190 nan 0.000 0.478 39 Q N 2.474 122.266 119.800 -0.013 0.000 2.317 39 Q HA 0.402 4.742 4.340 0.001 0.000 0.229 39 Q C 1.219 177.211 176.000 -0.014 0.000 0.984 39 Q CA 0.480 56.275 55.803 -0.013 0.000 0.911 39 Q CB 0.831 29.558 28.738 -0.018 0.000 1.217 39 Q HN 1.149 nan 8.270 nan 0.000 0.501 40 G N 1.387 110.180 108.800 -0.012 0.000 2.221 40 G HA2 -0.227 3.734 3.960 0.001 0.000 0.265 40 G HA3 -0.227 3.734 3.960 0.001 0.000 0.265 40 G C -0.245 174.649 174.900 -0.009 0.000 1.041 40 G CA 0.042 45.135 45.100 -0.011 0.000 0.807 40 G HN 0.280 nan 8.290 nan 0.000 0.502 41 R N -0.585 119.911 120.500 -0.007 0.000 2.670 41 R HA 0.455 4.795 4.340 0.001 0.000 0.289 41 R C 1.067 177.365 176.300 -0.004 0.000 0.965 41 R CA -0.677 55.420 56.100 -0.005 0.000 0.899 41 R CB 1.136 31.434 30.300 -0.003 0.000 1.173 41 R HN 0.382 nan 8.270 nan 0.000 0.456 42 E N 0.560 120.759 120.200 -0.003 0.000 2.047 42 E HA -0.103 4.247 4.350 0.001 0.000 0.191 42 E C 0.450 177.050 176.600 -0.001 0.000 0.987 42 E CA 1.564 57.963 56.400 -0.002 0.000 0.799 42 E CB 0.165 29.864 29.700 -0.002 0.000 0.752 42 E HN 0.673 nan 8.360 nan 0.000 0.449 43 T N -1.400 113.154 114.554 -0.000 0.000 2.945 43 T HA 0.350 4.701 4.350 0.001 0.000 0.286 43 T C -0.116 174.585 174.700 0.001 0.000 1.025 43 T CA -1.018 61.082 62.100 0.001 0.000 1.039 43 T CB 1.999 70.868 68.868 0.002 0.000 1.068 43 T HN -0.069 nan 8.240 nan 0.000 0.497 44 R N 1.025 121.527 120.500 0.002 0.000 2.458 44 R HA 0.300 4.641 4.340 0.001 0.000 0.303 44 R C -0.996 175.308 176.300 0.006 0.000 1.013 44 R CA -0.495 55.607 56.100 0.003 0.000 1.026 44 R CB -0.135 30.167 30.300 0.003 0.000 0.948 44 R HN 0.577 nan 8.270 nan 0.000 0.417 45 L N 6.293 127.520 121.223 0.007 0.000 2.318 45 L HA 0.317 4.657 4.340 0.001 0.000 0.277 45 L C -1.235 175.644 176.870 0.015 0.000 1.008 45 L CA -0.487 54.358 54.840 0.009 0.000 0.846 45 L CB 1.722 43.785 42.059 0.007 0.000 1.220 45 L HN 0.327 nan 8.230 nan 0.000 0.423 46 V N 6.339 126.264 119.914 0.019 0.000 2.465 46 V HA 0.388 4.508 4.120 0.001 0.000 0.279 46 V C 0.143 176.256 176.094 0.032 0.000 1.045 46 V CA -0.419 61.896 62.300 0.026 0.000 0.938 46 V CB 1.432 33.270 31.823 0.026 0.000 0.986 46 V HN 0.575 nan 8.190 nan 0.000 0.467 47 L N 4.594 125.841 121.223 0.041 0.000 2.296 47 L HA 0.558 4.898 4.340 0.001 0.000 0.286 47 L C 0.137 177.039 176.870 0.054 0.000 1.023 47 L CA -0.299 54.569 54.840 0.047 0.000 0.812 47 L CB 1.567 43.658 42.059 0.054 0.000 1.223 47 L HN 0.638 nan 8.230 nan 0.000 0.421 48 E N 2.752 122.983 120.200 0.052 0.000 2.167 48 E HA 0.292 4.643 4.350 0.001 0.000 0.284 48 E C -0.875 175.748 176.600 0.039 0.000 1.016 48 E CA -0.756 55.675 56.400 0.051 0.000 0.817 48 E CB 1.538 31.282 29.700 0.073 0.000 1.080 48 E HN 0.341 nan 8.360 nan 0.000 0.397 49 V N 4.449 124.381 119.914 0.031 0.000 2.529 49 V HA 0.063 4.183 4.120 0.001 0.000 0.292 49 V C 0.912 177.012 176.094 0.010 0.000 1.028 49 V CA 0.983 63.306 62.300 0.038 0.000 1.074 49 V CB 0.782 32.633 31.823 0.046 0.000 0.958 49 V HN 0.899 nan 8.190 nan 0.000 0.481 50 A N 4.374 127.210 122.820 0.027 0.000 2.070 50 A HA 0.346 4.666 4.320 0.001 0.000 0.202 50 A C 0.659 178.245 177.584 0.003 0.000 1.277 50 A CA 0.203 52.241 52.037 0.002 0.000 0.872 50 A CB 0.411 19.417 19.000 0.010 0.000 0.933 50 A HN 0.768 nan 8.150 nan 0.000 0.475 51 Q N -0.968 118.864 119.800 0.053 0.000 2.435 51 Q HA 0.346 4.686 4.340 0.001 0.000 0.282 51 Q C -1.751 174.375 176.000 0.211 0.000 1.020 51 Q CA -0.546 55.297 55.803 0.068 0.000 0.820 51 Q CB 1.734 30.502 28.738 0.050 0.000 1.436 51 Q HN 0.608 nan 8.270 nan 0.000 0.395 52 H N 2.017 121.080 119.070 -0.012 0.000 2.581 52 H HA 0.258 4.814 4.556 0.001 0.000 0.308 52 H C 0.556 175.884 175.328 0.001 0.000 1.040 52 H CA -0.290 55.754 56.048 -0.007 0.000 1.231 52 H CB 1.066 30.817 29.762 -0.018 0.000 1.396 52 H HN 0.438 nan 8.280 nan 0.000 0.467 53 L N 2.857 124.137 121.223 0.094 0.000 2.492 53 L HA 0.142 4.483 4.340 0.001 0.000 0.223 53 L C 1.203 178.097 176.870 0.040 0.000 1.132 53 L CA 0.521 55.394 54.840 0.055 0.000 0.850 53 L CB -0.052 42.029 42.059 0.037 0.000 0.966 53 L HN 0.881 nan 8.230 nan 0.000 0.454 54 G N 0.120 108.942 108.800 0.037 0.000 2.603 54 G HA2 -0.161 3.800 3.960 0.001 0.000 0.686 54 G HA3 -0.161 3.800 3.960 0.001 0.000 0.686 54 G C -0.067 174.837 174.900 0.006 0.000 1.286 54 G CA -0.479 44.634 45.100 0.022 0.000 0.871 54 G HN 0.322 nan 8.290 nan 0.000 0.568 55 E N -0.946 119.257 120.200 0.005 0.000 2.328 55 E HA -0.203 4.147 4.350 0.001 0.000 0.233 55 E C 0.961 177.561 176.600 0.001 0.000 1.219 55 E CA 0.970 57.372 56.400 0.003 0.000 0.717 55 E CB -1.634 28.069 29.700 0.004 0.000 1.210 55 E HN 2.011 nan 8.360 nan 0.000 0.381 56 S N -1.896 113.798 115.700 -0.010 0.000 3.521 56 S HA -0.199 4.271 4.470 0.001 0.000 0.328 56 S C 0.094 174.705 174.600 0.018 0.000 1.165 56 S CA 1.501 59.697 58.200 -0.007 0.000 0.941 56 S CB -0.910 62.302 63.200 0.020 0.000 0.951 56 S HN 0.486 nan 8.310 nan 0.000 0.539 57 T N 1.396 115.947 114.554 -0.005 0.000 2.841 57 T HA 0.632 4.982 4.350 0.001 0.000 0.283 57 T C 0.153 174.853 174.700 -0.000 0.000 1.000 57 T CA -0.391 61.724 62.100 0.025 0.000 0.977 57 T CB 1.888 70.768 68.868 0.019 0.000 0.979 57 T HN 0.485 nan 8.240 nan 0.000 0.446 58 V N 1.276 121.220 119.914 0.050 0.000 2.581 58 V HA 0.759 4.879 4.120 0.001 0.000 0.303 58 V C -0.233 175.910 176.094 0.080 0.000 1.041 58 V CA -1.358 60.973 62.300 0.052 0.000 0.907 58 V CB 1.643 33.494 31.823 0.047 0.000 0.994 58 V HN 0.844 nan 8.190 nan 0.000 0.442 59 R N 2.361 122.909 120.500 0.080 0.000 2.312 59 R HA 0.742 5.083 4.340 0.001 0.000 0.311 59 R C -0.123 176.213 176.300 0.060 0.000 1.004 59 R CA 0.368 56.504 56.100 0.060 0.000 0.902 59 R CB 1.477 31.804 30.300 0.046 0.000 1.073 59 R HN 1.186 nan 8.270 nan 0.000 0.457 60 T N 1.217 115.802 114.554 0.050 0.000 2.906 60 T HA 0.546 4.896 4.350 0.001 0.000 0.295 60 T C -0.330 174.390 174.700 0.032 0.000 1.075 60 T CA -0.858 61.270 62.100 0.048 0.000 1.005 60 T CB 1.151 70.056 68.868 0.062 0.000 1.136 60 T HN 0.424 nan 8.240 nan 0.000 0.498 61 I N 1.926 122.514 120.570 0.030 0.000 2.389 61 I HA 0.600 4.770 4.170 0.001 0.000 0.288 61 I C 0.659 176.791 176.117 0.026 0.000 0.999 61 I CA -1.100 60.214 61.300 0.022 0.000 1.129 61 I CB 1.602 39.612 38.000 0.018 0.000 1.288 61 I HN 0.981 nan 8.210 nan 0.000 0.444 62 A N 6.950 129.781 122.820 0.019 0.000 2.425 62 A HA 0.414 4.735 4.320 0.001 0.000 0.249 62 A C 0.855 178.450 177.584 0.018 0.000 1.084 62 A CA -0.234 51.815 52.037 0.019 0.000 0.781 62 A CB 0.424 19.431 19.000 0.012 0.000 1.019 62 A HN 0.761 nan 8.150 nan 0.000 0.490 63 M N 0.627 120.239 119.600 0.021 0.000 2.495 63 M HA 0.174 4.654 4.480 0.001 0.000 0.237 63 M C -0.008 176.301 176.300 0.016 0.000 1.131 63 M CA 0.637 55.949 55.300 0.021 0.000 1.032 63 M CB -0.956 31.660 32.600 0.025 0.000 1.513 63 M HN 0.797 nan 8.290 nan 0.000 0.488 64 D N -1.088 119.320 120.400 0.012 0.000 2.752 64 D HA 0.481 5.121 4.640 0.001 0.000 0.313 64 D C -0.529 175.774 176.300 0.006 0.000 1.225 64 D CA -0.229 53.777 54.000 0.009 0.000 0.976 64 D CB 1.257 42.063 40.800 0.009 0.000 1.443 64 D HN 0.098 nan 8.370 nan 0.000 0.515 65 G N -0.950 107.852 108.800 0.004 0.000 2.491 65 G HA2 0.344 4.305 3.960 0.001 0.000 0.238 65 G HA3 0.344 4.305 3.960 0.001 0.000 0.238 65 G C 0.820 175.721 174.900 0.001 0.000 1.277 65 G CA 0.540 45.642 45.100 0.002 0.000 0.851 65 G HN 0.402 nan 8.290 nan 0.000 0.573 66 T N -1.337 113.217 114.554 0.000 0.000 3.069 66 T HA 0.130 4.481 4.350 0.001 0.000 0.252 66 T C 0.817 175.515 174.700 -0.003 0.000 1.053 66 T CA 0.072 62.172 62.100 -0.001 0.000 0.964 66 T CB 0.015 68.883 68.868 -0.001 0.000 1.005 66 T HN 0.657 nan 8.240 nan 0.000 0.532 67 E N 2.012 122.210 120.200 -0.003 0.000 2.481 67 E HA 0.231 4.581 4.350 0.001 0.000 0.263 67 E C 1.232 177.829 176.600 -0.004 0.000 0.992 67 E CA 0.918 57.316 56.400 -0.003 0.000 0.938 67 E CB -0.055 29.644 29.700 -0.003 0.000 0.933 67 E HN 0.491 nan 8.360 nan 0.000 0.453 68 G N 2.693 111.490 108.800 -0.005 0.000 2.268 68 G HA2 -0.276 3.684 3.960 0.001 0.000 0.240 68 G HA3 -0.276 3.684 3.960 0.001 0.000 0.240 68 G C 0.406 175.301 174.900 -0.009 0.000 1.010 68 G CA 0.179 45.275 45.100 -0.007 0.000 0.618 68 G HN 0.498 nan 8.290 nan 0.000 0.516 69 L N 1.246 122.464 121.223 -0.009 0.000 2.453 69 L HA 0.472 4.813 4.340 0.001 0.000 0.272 69 L C 0.569 177.431 176.870 -0.014 0.000 1.182 69 L CA -0.261 54.571 54.840 -0.012 0.000 0.858 69 L CB 1.143 43.195 42.059 -0.011 0.000 1.120 69 L HN 0.030 nan 8.230 nan 0.000 0.474 70 V N 3.364 123.267 119.914 -0.018 0.000 2.628 70 V HA 0.381 4.501 4.120 0.001 0.000 0.306 70 V C 0.142 176.221 176.094 -0.025 0.000 1.045 70 V CA -0.979 61.310 62.300 -0.019 0.000 0.905 70 V CB 1.901 33.712 31.823 -0.019 0.000 0.997 70 V HN 0.677 nan 8.190 nan 0.000 0.436 71 R N 2.129 122.615 120.500 -0.024 0.000 2.522 71 R HA 0.412 4.752 4.340 0.001 0.000 0.284 71 R C 1.309 177.588 176.300 -0.035 0.000 1.032 71 R CA 1.084 57.166 56.100 -0.029 0.000 1.049 71 R CB 0.094 30.379 30.300 -0.025 0.000 0.956 71 R HN 1.204 nan 8.270 nan 0.000 0.422 72 G N 1.564 110.336 108.800 -0.047 0.000 2.232 72 G HA2 -0.315 3.646 3.960 0.001 0.000 0.226 72 G HA3 -0.315 3.646 3.960 0.001 0.000 0.226 72 G C 0.208 175.072 174.900 -0.060 0.000 0.996 72 G CA -0.091 44.977 45.100 -0.053 0.000 0.626 72 G HN 0.588 nan 8.290 nan 0.000 0.509 73 Q N 1.302 121.070 119.800 -0.054 0.000 2.349 73 Q HA 0.356 4.696 4.340 0.001 0.000 0.287 73 Q C 0.226 176.182 176.000 -0.074 0.000 1.044 73 Q CA 0.244 56.015 55.803 -0.053 0.000 0.918 73 Q CB 0.410 29.124 28.738 -0.040 0.000 1.242 73 Q HN 0.177 nan 8.270 nan 0.000 0.405 74 K N 2.050 122.409 120.400 -0.069 0.000 2.237 74 K HA 0.358 4.679 4.320 0.001 0.000 0.270 74 K C -1.009 175.541 176.600 -0.083 0.000 1.015 74 K CA -0.291 55.942 56.287 -0.089 0.000 0.949 74 K CB 1.339 33.798 32.500 -0.068 0.000 0.976 74 K HN 0.393 nan 8.250 nan 0.000 0.472 75 V N 3.971 123.813 119.914 -0.120 0.000 2.623 75 V HA 0.374 4.495 4.120 0.001 0.000 0.304 75 V C -0.383 175.698 176.094 -0.021 0.000 1.054 75 V CA -0.888 61.370 62.300 -0.071 0.000 0.882 75 V CB 1.901 33.669 31.823 -0.090 0.000 1.002 75 V HN 0.531 nan 8.190 nan 0.000 0.424 76 L N 3.009 124.265 121.223 0.055 0.000 2.317 76 L HA 0.557 4.898 4.340 0.001 0.000 0.281 76 L C -0.265 176.702 176.870 0.161 0.000 1.024 76 L CA -0.584 54.322 54.840 0.111 0.000 0.810 76 L CB 1.747 43.839 42.059 0.055 0.000 1.240 76 L HN 0.602 nan 8.230 nan 0.000 0.427 77 D N 0.819 121.341 120.400 0.202 0.000 2.343 77 D HA 0.027 4.667 4.640 0.001 0.000 0.255 77 D C 1.124 177.449 176.300 0.042 0.000 1.187 77 D CA -0.047 54.011 54.000 0.098 0.000 0.875 77 D CB 1.430 42.234 40.800 0.006 0.000 1.136 77 D HN 0.533 nan 8.370 nan 0.000 0.469 78 S N 2.834 118.547 115.700 0.022 0.000 2.481 78 S HA 0.062 4.533 4.470 0.001 0.000 0.231 78 S C 1.763 176.355 174.600 -0.013 0.000 0.996 78 S CA 0.651 58.850 58.200 -0.000 0.000 0.942 78 S CB -0.308 62.887 63.200 -0.009 0.000 0.768 78 S HN 0.976 nan 8.310 nan 0.000 0.520 79 G N 0.229 109.020 108.800 -0.016 0.000 2.176 79 G HA2 0.087 4.048 3.960 0.001 0.000 0.253 79 G HA3 0.087 4.048 3.960 0.001 0.000 0.253 79 G C 0.133 175.020 174.900 -0.022 0.000 0.979 79 G CA -0.084 45.002 45.100 -0.024 0.000 0.641 79 G HN 1.558 nan 8.290 nan 0.000 0.530 80 A N -0.914 121.896 122.820 -0.017 0.000 2.602 80 A HA 0.937 5.257 4.320 0.001 0.000 0.290 80 A C -3.014 174.573 177.584 0.005 0.000 1.114 80 A CA -0.890 51.142 52.037 -0.009 0.000 0.683 80 A CB 1.203 20.197 19.000 -0.011 0.000 1.281 80 A HN 0.083 nan 8.150 nan 0.000 0.416 81 P HA 0.351 nan 4.420 nan 0.000 0.273 81 P C -0.335 177.003 177.300 0.064 0.000 1.250 81 P CA -0.300 62.839 63.100 0.065 0.000 0.793 81 P CB 0.214 31.988 31.700 0.123 0.000 1.011 82 I N 0.948 121.570 120.570 0.087 0.000 2.906 82 I HA -0.127 4.043 4.170 0.001 0.000 0.301 82 I C 1.116 177.258 176.117 0.041 0.000 1.221 82 I CA 1.184 62.516 61.300 0.053 0.000 1.435 82 I CB -0.206 37.827 38.000 0.054 0.000 1.345 82 I HN 0.167 nan 8.210 nan 0.000 0.558 83 R N 7.060 127.574 120.500 0.023 0.000 2.621 83 R HA 0.714 5.054 4.340 0.001 0.000 0.292 83 R C -0.810 175.548 176.300 0.096 0.000 0.969 83 R CA -0.790 55.338 56.100 0.047 0.000 0.887 83 R CB 2.202 32.509 30.300 0.013 0.000 1.180 83 R HN 0.597 nan 8.270 nan 0.000 0.450 84 I N -1.189 119.472 120.570 0.152 0.000 2.892 84 I HA 0.673 4.844 4.170 0.001 0.000 0.306 84 I C -2.668 173.566 176.117 0.195 0.000 1.078 84 I CA -3.325 58.073 61.300 0.163 0.000 1.032 84 I CB 2.431 40.456 38.000 0.042 0.000 1.229 84 I HN 0.297 nan 8.210 nan 0.000 0.435 85 P HA 0.185 nan 4.420 nan 0.000 0.268 85 P C -0.644 176.469 177.300 -0.311 0.000 1.204 85 P CA -0.126 62.802 63.100 -0.286 0.000 0.768 85 P CB 0.967 32.531 31.700 -0.226 0.000 0.842 86 V N -0.107 119.517 119.914 -0.484 0.000 3.141 86 V HA 1.006 5.127 4.120 0.001 0.000 0.312 86 V C 0.134 175.665 176.094 -0.938 0.000 1.157 86 V CA -0.159 61.759 62.300 -0.637 0.000 1.041 86 V CB 1.257 32.744 31.823 -0.560 0.000 1.071 86 V HN 0.946 nan 8.190 nan 0.000 0.441 87 G N 1.922 109.935 108.800 -1.311 0.000 2.610 87 G HA2 -0.036 3.924 3.960 0.001 0.000 0.304 87 G HA3 -0.036 3.924 3.960 0.001 0.000 0.304 87 G C -2.284 172.430 174.900 -0.310 0.000 1.309 87 G CA -0.059 44.425 45.100 -1.028 0.000 0.906 87 G HN 0.747 nan 8.290 nan 0.000 0.521 88 P HA -0.002 nan 4.420 nan 0.000 0.218 88 P C 1.559 178.828 177.300 -0.052 0.000 1.148 88 P CA 1.834 64.931 63.100 -0.005 0.000 0.822 88 P CB 0.013 31.722 31.700 0.015 0.000 0.784 89 E N -0.611 119.534 120.200 -0.092 0.000 2.516 89 E HA -0.074 4.276 4.350 0.001 0.000 0.199 89 E C 1.265 177.826 176.600 -0.064 0.000 1.069 89 E CA 1.258 57.612 56.400 -0.076 0.000 0.876 89 E CB -1.399 28.247 29.700 -0.091 0.000 0.843 89 E HN 0.362 nan 8.360 nan 0.000 0.530 90 T N -0.833 113.682 114.554 -0.066 0.000 3.023 90 T HA 0.060 4.411 4.350 0.001 0.000 0.266 90 T C 1.170 175.893 174.700 0.038 0.000 1.093 90 T CA -0.091 61.994 62.100 -0.025 0.000 1.129 90 T CB -0.348 68.489 68.868 -0.051 0.000 0.899 90 T HN 0.031 nan 8.240 nan 0.000 0.491 91 L N 1.980 123.220 121.223 0.029 0.000 2.462 91 L HA 0.463 4.804 4.340 0.001 0.000 0.272 91 L C 1.685 178.570 176.870 0.025 0.000 1.166 91 L CA 0.776 55.619 54.840 0.004 0.000 0.880 91 L CB 0.232 42.222 42.059 -0.114 0.000 1.142 91 L HN 0.540 nan 8.230 nan 0.000 0.473 92 G N 1.948 110.784 108.800 0.060 0.000 2.199 92 G HA2 -0.211 3.749 3.960 0.001 0.000 0.254 92 G HA3 -0.211 3.749 3.960 0.001 0.000 0.254 92 G C 0.358 175.332 174.900 0.124 0.000 0.982 92 G CA -0.425 44.725 45.100 0.084 0.000 0.632 92 G HN 0.458 nan 8.290 nan 0.000 0.529 93 R N 0.069 120.624 120.500 0.091 0.000 2.598 93 R HA 0.731 5.072 4.340 0.001 0.000 0.279 93 R C 0.247 176.586 176.300 0.065 0.000 0.984 93 R CA -0.904 55.237 56.100 0.069 0.000 0.999 93 R CB 0.814 31.133 30.300 0.032 0.000 1.114 93 R HN 0.336 nan 8.270 nan 0.000 0.493 94 I N 3.415 123.987 120.570 0.004 0.000 2.339 94 I HA 0.379 4.549 4.170 0.001 0.000 0.290 94 I C 0.624 176.751 176.117 0.016 0.000 0.994 94 I CA -0.603 60.701 61.300 0.007 0.000 1.191 94 I CB 1.236 39.154 38.000 -0.137 0.000 1.343 94 I HN 0.384 nan 8.210 nan 0.000 0.458 95 M N 4.481 124.114 119.600 0.055 0.000 2.664 95 M HA 0.608 5.089 4.480 0.001 0.000 0.314 95 M C -0.864 175.473 176.300 0.061 0.000 1.200 95 M CA -0.700 54.624 55.300 0.040 0.000 0.916 95 M CB 1.937 34.553 32.600 0.026 0.000 1.717 95 M HN 0.512 nan 8.290 nan 0.000 0.470 96 N N 0.926 119.653 118.700 0.044 0.000 2.566 96 N HA 0.337 5.077 4.740 0.001 0.000 0.299 96 N C 0.845 176.375 175.510 0.032 0.000 1.277 96 N CA -0.423 52.656 53.050 0.049 0.000 0.965 96 N CB -0.310 38.200 38.487 0.038 0.000 1.142 96 N HN 0.661 nan 8.380 nan 0.000 0.596 97 V N -1.408 118.522 119.914 0.028 0.000 2.324 97 V HA -0.221 3.900 4.120 0.001 0.000 0.250 97 V C 1.799 177.900 176.094 0.012 0.000 1.060 97 V CA 2.199 64.508 62.300 0.015 0.000 1.042 97 V CB -1.374 30.459 31.823 0.018 0.000 0.650 97 V HN 0.761 nan 8.190 nan 0.000 0.450 98 I N -1.818 118.764 120.570 0.019 0.000 3.891 98 I HA 0.698 4.868 4.170 0.001 0.000 0.331 98 I C 1.314 177.449 176.117 0.029 0.000 1.406 98 I CA 0.435 61.747 61.300 0.020 0.000 1.139 98 I CB -0.117 37.895 38.000 0.019 0.000 1.056 98 I HN 0.371 nan 8.210 nan 0.000 0.399 99 G N 1.258 110.075 108.800 0.030 0.000 2.148 99 G HA2 -0.257 3.703 3.960 0.001 0.000 0.254 99 G HA3 -0.257 3.703 3.960 0.001 0.000 0.254 99 G C -0.142 174.785 174.900 0.045 0.000 0.981 99 G CA 0.047 45.171 45.100 0.041 0.000 0.670 99 G HN 0.669 nan 8.290 nan 0.000 0.528 100 E N 1.696 121.916 120.200 0.034 0.000 2.331 100 E HA 0.347 4.698 4.350 0.001 0.000 0.272 100 E C -2.154 174.457 176.600 0.019 0.000 1.036 100 E CA -1.784 54.633 56.400 0.028 0.000 0.864 100 E CB 1.080 30.792 29.700 0.020 0.000 1.035 100 E HN 0.194 nan 8.360 nan 0.000 0.408 101 P HA -0.023 nan 4.420 nan 0.000 0.267 101 P C 0.029 177.322 177.300 -0.012 0.000 1.205 101 P CA 0.560 63.661 63.100 0.001 0.000 0.765 101 P CB 0.174 31.875 31.700 0.003 0.000 0.828 102 I N -0.221 120.330 120.570 -0.032 0.000 3.569 102 I HA 0.287 4.457 4.170 0.001 0.000 0.334 102 I C -0.091 175.960 176.117 -0.110 0.000 1.570 102 I CA -0.341 60.926 61.300 -0.054 0.000 1.082 102 I CB 0.036 38.011 38.000 -0.042 0.000 1.323 102 I HN 0.027 nan 8.210 nan 0.000 0.489 103 D N -0.069 120.269 120.400 -0.103 0.000 2.469 103 D HA 0.058 4.698 4.640 0.001 0.000 0.215 103 D C 0.438 176.709 176.300 -0.048 0.000 1.154 103 D CA -0.247 53.669 54.000 -0.141 0.000 0.832 103 D CB -0.030 40.666 40.800 -0.173 0.000 1.008 103 D HN 0.430 nan 8.370 nan 0.000 0.506 104 E N -0.050 120.133 120.200 -0.027 0.000 2.637 104 E HA -0.241 4.109 4.350 0.001 0.000 0.265 104 E C 0.130 176.738 176.600 0.013 0.000 1.073 104 E CA 0.301 56.700 56.400 -0.003 0.000 0.778 104 E CB -1.023 28.679 29.700 0.003 0.000 1.362 104 E HN 0.389 nan 8.360 nan 0.000 0.413 105 R N -0.150 120.357 120.500 0.013 0.000 2.586 105 R HA 0.300 4.641 4.340 0.001 0.000 0.336 105 R C 0.836 177.146 176.300 0.017 0.000 1.060 105 R CA 0.280 56.394 56.100 0.023 0.000 1.079 105 R CB 1.170 31.492 30.300 0.036 0.000 1.317 105 R HN 0.302 nan 8.270 nan 0.000 0.568 106 G N 2.029 110.837 108.800 0.012 0.000 2.681 106 G HA2 -0.229 3.731 3.960 0.001 0.000 0.220 106 G HA3 -0.229 3.731 3.960 0.001 0.000 0.220 106 G C -2.553 172.355 174.900 0.013 0.000 1.353 106 G CA -1.201 43.906 45.100 0.013 0.000 0.872 106 G HN 0.063 nan 8.290 nan 0.000 0.557 107 P HA 0.454 nan 4.420 nan 0.000 0.269 107 P C 0.030 177.338 177.300 0.014 0.000 1.215 107 P CA -0.206 62.907 63.100 0.022 0.000 0.780 107 P CB 0.376 32.093 31.700 0.027 0.000 0.898 108 I N 2.533 123.112 120.570 0.014 0.000 2.282 108 I HA 0.132 4.303 4.170 0.001 0.000 0.290 108 I C 0.941 177.041 176.117 -0.029 0.000 1.090 108 I CA -0.412 60.879 61.300 -0.015 0.000 1.231 108 I CB 0.090 38.074 38.000 -0.027 0.000 1.434 108 I HN 0.180 nan 8.210 nan 0.000 0.487 109 K N 4.873 125.253 120.400 -0.034 0.000 2.222 109 K HA 0.270 4.591 4.320 0.001 0.000 0.243 109 K C -0.134 176.407 176.600 -0.098 0.000 1.160 109 K CA -0.437 55.829 56.287 -0.034 0.000 1.090 109 K CB -0.452 32.045 32.500 -0.006 0.000 1.694 109 K HN 0.510 nan 8.250 nan 0.000 0.361 110 T N -0.523 113.907 114.554 -0.207 0.000 2.913 110 T HA 0.220 4.570 4.350 0.001 0.000 0.287 110 T C 0.852 175.374 174.700 -0.295 0.000 1.008 110 T CA -0.853 61.048 62.100 -0.332 0.000 1.067 110 T CB 1.908 70.409 68.868 -0.612 0.000 0.996 110 T HN 0.363 nan 8.240 nan 0.000 0.513 111 K N 0.359 120.621 120.400 -0.231 0.000 2.116 111 K HA 0.051 4.371 4.320 0.001 0.000 0.203 111 K C 0.562 177.051 176.600 -0.185 0.000 1.052 111 K CA 0.886 57.092 56.287 -0.134 0.000 0.952 111 K CB 0.086 32.548 32.500 -0.064 0.000 0.729 111 K HN 0.582 nan 8.250 nan 0.000 0.446 112 Q N -0.409 119.188 119.800 -0.338 0.000 2.274 112 Q HA 0.444 4.785 4.340 0.001 0.000 0.260 112 Q C -1.056 174.597 176.000 -0.578 0.000 0.974 112 Q CA -0.392 55.242 55.803 -0.281 0.000 0.876 112 Q CB 1.425 30.056 28.738 -0.178 0.000 1.297 112 Q HN -0.062 nan 8.270 nan 0.000 0.446 113 F N 0.283 120.195 119.950 -0.064 0.000 2.579 113 F HA 0.872 5.399 4.527 0.000 0.000 0.324 113 F C -0.181 175.594 175.800 -0.041 0.000 1.058 113 F CA -1.034 56.927 58.000 -0.065 0.000 0.944 113 F CB 1.892 40.867 39.000 -0.042 0.000 1.245 113 F HN 0.553 nan 8.300 nan 0.000 0.477 114 A N 0.877 123.782 122.820 0.143 0.000 2.475 114 A HA 0.838 5.159 4.320 0.001 0.000 0.301 114 A C -1.133 176.493 177.584 0.070 0.000 1.059 114 A CA -0.785 51.302 52.037 0.083 0.000 0.710 114 A CB 1.033 20.056 19.000 0.038 0.000 1.288 114 A HN 1.029 nan 8.150 nan 0.000 0.408 115 A N 1.134 123.989 122.820 0.058 0.000 2.477 115 A HA 0.451 4.772 4.320 0.001 0.000 0.246 115 A C 1.099 178.691 177.584 0.014 0.000 1.078 115 A CA 0.228 52.296 52.037 0.051 0.000 0.770 115 A CB -0.394 18.648 19.000 0.070 0.000 1.011 115 A HN 1.693 nan 8.150 nan 0.000 0.494 116 I N -0.472 120.080 120.570 -0.029 0.000 3.111 116 I HA 0.044 4.215 4.170 0.001 0.000 0.272 116 I C 0.118 176.079 176.117 -0.259 0.000 1.268 116 I CA 0.415 61.629 61.300 -0.143 0.000 1.467 116 I CB -0.318 37.570 38.000 -0.188 0.000 1.087 116 I HN 0.503 nan 8.210 nan 0.000 0.467 117 H N 2.449 121.521 119.070 0.004 0.000 2.467 117 H HA 0.804 5.360 4.556 0.001 0.000 0.326 117 H C -0.520 174.808 175.328 -0.000 0.000 1.094 117 H CA -0.171 55.878 56.048 0.002 0.000 1.253 117 H CB 1.768 31.532 29.762 0.004 0.000 1.439 117 H HN 0.396 nan 8.280 nan 0.000 0.479 118 A N 3.069 125.953 122.820 0.106 0.000 2.605 118 A HA 0.275 4.596 4.320 0.001 0.000 0.294 118 A C -0.613 176.999 177.584 0.046 0.000 1.062 118 A CA -0.920 51.152 52.037 0.058 0.000 0.682 118 A CB 1.563 20.579 19.000 0.027 0.000 1.278 118 A HN 0.654 nan 8.150 nan 0.000 0.410 119 E N 0.953 121.173 120.200 0.034 0.000 2.383 119 E HA 0.427 4.778 4.350 0.001 0.000 0.264 119 E C 0.534 177.146 176.600 0.019 0.000 1.050 119 E CA 0.072 56.489 56.400 0.028 0.000 0.896 119 E CB 1.352 31.066 29.700 0.024 0.000 0.982 119 E HN 0.839 nan 8.360 nan 0.000 0.424 120 A N 4.244 127.075 122.820 0.019 0.000 2.445 120 A HA 0.224 4.545 4.320 0.001 0.000 0.242 120 A C -2.044 175.550 177.584 0.017 0.000 1.075 120 A CA -1.048 50.997 52.037 0.013 0.000 0.777 120 A CB -0.479 18.533 19.000 0.019 0.000 1.013 120 A HN 0.327 nan 8.150 nan 0.000 0.493 121 P HA 0.023 nan 4.420 nan 0.000 0.263 121 P C 0.014 177.330 177.300 0.027 0.000 1.175 121 P CA 0.352 63.457 63.100 0.008 0.000 0.761 121 P CB 0.382 32.077 31.700 -0.009 0.000 0.794 122 E N 1.771 121.991 120.200 0.034 0.000 2.410 122 E HA -0.041 4.309 4.350 0.001 0.000 0.255 122 E C 0.859 177.514 176.600 0.092 0.000 1.194 122 E CA -0.120 56.323 56.400 0.073 0.000 0.955 122 E CB 0.068 29.809 29.700 0.069 0.000 0.988 122 E HN 0.413 nan 8.360 nan 0.000 0.461 123 F N 1.545 121.496 119.950 0.001 0.000 2.216 123 F HA -0.203 4.325 4.527 0.000 0.000 0.300 123 F C 1.814 177.613 175.800 -0.001 0.000 1.085 123 F CA 1.485 59.486 58.000 0.001 0.000 1.326 123 F CB -0.047 38.953 39.000 0.001 0.000 1.027 123 F HN 0.237 nan 8.300 nan 0.000 0.497 124 V N -2.323 117.597 119.914 0.010 0.000 3.305 124 V HA -0.090 4.030 4.120 0.001 0.000 0.269 124 V C 1.424 177.449 176.094 -0.114 0.000 1.157 124 V CA 1.590 63.847 62.300 -0.072 0.000 1.157 124 V CB -0.957 30.888 31.823 0.036 0.000 0.772 124 V HN 0.398 nan 8.190 nan 0.000 0.498 125 E N -0.046 120.094 120.200 -0.101 0.000 2.479 125 E HA 0.193 4.544 4.350 0.001 0.000 0.193 125 E C 0.551 177.081 176.600 -0.115 0.000 1.049 125 E CA -0.213 56.137 56.400 -0.082 0.000 0.870 125 E CB 0.089 29.762 29.700 -0.044 0.000 0.944 125 E HN 0.458 nan 8.360 nan 0.000 0.492 126 M N 0.934 120.416 119.600 -0.197 0.000 2.233 126 M HA 0.118 4.599 4.480 0.001 0.000 0.350 126 M C 0.411 176.614 176.300 -0.163 0.000 1.176 126 M CA 0.111 55.294 55.300 -0.196 0.000 1.150 126 M CB 1.168 33.580 32.600 -0.315 0.000 1.530 126 M HN -0.163 nan 8.290 nan 0.000 0.459 127 S N 1.177 116.811 115.700 -0.110 0.000 2.617 127 S HA 0.562 5.033 4.470 0.001 0.000 0.283 127 S C 0.563 175.116 174.600 -0.078 0.000 1.189 127 S CA -0.778 57.372 58.200 -0.084 0.000 1.036 127 S CB 0.793 63.959 63.200 -0.056 0.000 1.014 127 S HN 0.581 nan 8.310 nan 0.000 0.522 128 V N 0.566 120.442 119.914 -0.063 0.000 3.346 128 V HA 0.502 4.623 4.120 0.001 0.000 0.309 128 V C -0.116 175.961 176.094 -0.028 0.000 1.457 128 V CA -0.448 61.824 62.300 -0.047 0.000 1.069 128 V CB -0.001 31.792 31.823 -0.049 0.000 0.944 128 V HN 0.627 nan 8.190 nan 0.000 0.449 129 E N 2.159 122.343 120.200 -0.026 0.000 2.324 129 E HA 0.379 4.730 4.350 0.001 0.000 0.271 129 E C -0.574 176.021 176.600 -0.007 0.000 1.028 129 E CA 0.433 56.824 56.400 -0.015 0.000 0.890 129 E CB 1.187 30.878 29.700 -0.014 0.000 1.004 129 E HN 0.654 nan 8.360 nan 0.000 0.431 130 Q N 2.042 121.841 119.800 -0.002 0.000 2.327 130 Q HA 0.378 4.718 4.340 0.001 0.000 0.270 130 Q C -0.702 175.306 176.000 0.014 0.000 1.022 130 Q CA -0.313 55.494 55.803 0.007 0.000 0.773 130 Q CB 2.014 30.755 28.738 0.006 0.000 1.251 130 Q HN 0.416 nan 8.270 nan 0.000 0.457 131 E N 3.336 123.550 120.200 0.023 0.000 2.291 131 E HA 0.293 4.644 4.350 0.001 0.000 0.276 131 E C -1.319 175.310 176.600 0.047 0.000 0.896 131 E CA -0.610 55.809 56.400 0.031 0.000 0.774 131 E CB 1.797 31.513 29.700 0.026 0.000 1.227 131 E HN 0.628 nan 8.360 nan 0.000 0.413 132 I N 4.487 125.091 120.570 0.056 0.000 2.648 132 I HA 0.020 4.190 4.170 0.001 0.000 0.284 132 I C -0.733 175.432 176.117 0.080 0.000 1.153 132 I CA -0.115 61.230 61.300 0.076 0.000 1.426 132 I CB 0.408 38.460 38.000 0.087 0.000 1.381 132 I HN 0.473 nan 8.210 nan 0.000 0.571 133 L N 9.073 130.358 121.223 0.103 0.000 2.295 133 L HA 0.376 4.717 4.340 0.001 0.000 0.281 133 L C -0.727 176.197 176.870 0.091 0.000 1.018 133 L CA -0.324 54.579 54.840 0.105 0.000 0.841 133 L CB 1.156 43.296 42.059 0.135 0.000 1.218 133 L HN 0.305 nan 8.230 nan 0.000 0.424 134 V N 4.748 124.700 119.914 0.063 0.000 2.521 134 V HA 0.140 4.260 4.120 0.001 0.000 0.286 134 V C 1.513 177.620 176.094 0.022 0.000 1.034 134 V CA 0.727 63.047 62.300 0.034 0.000 1.045 134 V CB 0.809 32.653 31.823 0.034 0.000 0.974 134 V HN 0.955 nan 8.190 nan 0.000 0.480 135 T N 0.512 115.052 114.554 -0.023 0.000 3.040 135 T HA 0.248 4.599 4.350 0.001 0.000 0.252 135 T C 1.471 176.147 174.700 -0.041 0.000 1.064 135 T CA 0.821 62.904 62.100 -0.028 0.000 1.110 135 T CB 0.397 69.209 68.868 -0.093 0.000 0.921 135 T HN 1.445 nan 8.240 nan 0.000 0.480 136 G N 1.478 110.255 108.800 -0.039 0.000 2.175 136 G HA2 -0.182 3.779 3.960 0.001 0.000 0.244 136 G HA3 -0.182 3.779 3.960 0.001 0.000 0.244 136 G C 0.001 174.880 174.900 -0.036 0.000 0.982 136 G CA 0.013 45.092 45.100 -0.035 0.000 0.641 136 G HN 0.648 nan 8.290 nan 0.000 0.527 137 I N 1.394 121.937 120.570 -0.045 0.000 2.297 137 I HA 0.261 4.432 4.170 0.001 0.000 0.291 137 I C 1.617 177.735 176.117 0.002 0.000 1.033 137 I CA -0.696 60.609 61.300 0.008 0.000 1.253 137 I CB 1.265 39.284 38.000 0.032 0.000 1.396 137 I HN 0.009 nan 8.210 nan 0.000 0.476 138 K N 3.814 124.228 120.400 0.022 0.000 2.000 138 K HA -0.208 4.112 4.320 0.001 0.000 0.218 138 K C 1.835 178.436 176.600 0.001 0.000 1.053 138 K CA 1.943 58.251 56.287 0.034 0.000 0.946 138 K CB -0.290 32.233 32.500 0.037 0.000 0.723 138 K HN 0.606 nan 8.250 nan 0.000 0.446 139 V N 0.514 120.428 119.914 0.001 0.000 2.282 139 V HA -0.259 3.862 4.120 0.001 0.000 0.249 139 V C 2.338 178.400 176.094 -0.053 0.000 1.057 139 V CA 1.891 64.165 62.300 -0.043 0.000 1.032 139 V CB -0.996 30.832 31.823 0.007 0.000 0.645 139 V HN 0.079 nan 8.190 nan 0.000 0.447 140 V N 0.719 120.597 119.914 -0.060 0.000 2.244 140 V HA -0.228 3.893 4.120 0.001 0.000 0.244 140 V C 2.474 178.484 176.094 -0.141 0.000 1.042 140 V CA 2.440 64.646 62.300 -0.157 0.000 1.006 140 V CB -0.834 30.770 31.823 -0.366 0.000 0.641 140 V HN 0.499 nan 8.190 nan 0.000 0.446 141 D N -0.237 120.098 120.400 -0.109 0.000 2.117 141 D HA -0.145 4.495 4.640 0.001 0.000 0.197 141 D C 1.903 178.263 176.300 0.101 0.000 0.987 141 D CA 1.161 55.149 54.000 -0.020 0.000 0.829 141 D CB -0.257 40.525 40.800 -0.029 0.000 0.961 141 D HN 0.324 nan 8.370 nan 0.000 0.460 142 L N -0.037 121.205 121.223 0.031 0.000 2.007 142 L HA -0.034 4.306 4.340 0.001 0.000 0.205 142 L C 2.115 179.076 176.870 0.151 0.000 1.073 142 L CA 1.434 56.319 54.840 0.075 0.000 0.744 142 L CB -0.245 41.714 42.059 -0.166 0.000 0.898 142 L HN -0.012 nan 8.230 nan 0.000 0.435 143 L N -1.233 119.987 121.223 -0.004 0.000 2.221 143 L HA 0.243 4.583 4.340 0.001 0.000 0.202 143 L C 0.849 177.718 176.870 -0.002 0.000 1.074 143 L CA 0.603 55.423 54.840 -0.034 0.000 0.795 143 L CB -0.200 41.812 42.059 -0.079 0.000 0.960 143 L HN 0.274 nan 8.230 nan 0.000 0.458 144 A N 0.492 123.323 122.820 0.019 0.000 3.370 144 A HA 0.429 4.749 4.320 0.001 0.000 0.295 144 A C -2.580 175.050 177.584 0.077 0.000 1.030 144 A CA -0.974 51.099 52.037 0.059 0.000 0.883 144 A CB -0.222 18.835 19.000 0.095 0.000 1.191 144 A HN -0.119 nan 8.150 nan 0.000 0.507 145 P HA 0.057 nan 4.420 nan 0.000 0.269 145 P C -0.492 176.926 177.300 0.197 0.000 1.209 145 P CA 0.535 63.660 63.100 0.042 0.000 0.776 145 P CB 0.388 32.132 31.700 0.073 0.000 0.876 146 Y N 0.323 120.658 120.300 0.059 0.000 2.314 146 Y HA 0.411 4.961 4.550 0.001 0.000 0.334 146 Y C 1.138 177.058 175.900 0.034 0.000 1.266 146 Y CA -1.232 56.894 58.100 0.044 0.000 1.391 146 Y CB 0.883 39.368 38.460 0.042 0.000 1.306 146 Y HN 0.387 nan 8.280 nan 0.000 0.558 147 A N 2.569 125.498 122.820 0.181 0.000 2.350 147 A HA 0.412 4.732 4.320 0.001 0.000 0.324 147 A C -0.920 176.701 177.584 0.062 0.000 1.118 147 A CA -1.123 50.973 52.037 0.099 0.000 0.783 147 A CB 0.843 19.880 19.000 0.062 0.000 1.236 147 A HN 0.740 nan 8.150 nan 0.000 0.457 148 K N 0.791 121.223 120.400 0.053 0.000 2.484 148 K HA 0.298 4.618 4.320 0.001 0.000 0.280 148 K C 1.150 177.754 176.600 0.006 0.000 1.013 148 K CA 1.206 57.512 56.287 0.032 0.000 1.029 148 K CB 0.221 32.743 32.500 0.037 0.000 0.902 148 K HN 1.558 nan 8.250 nan 0.000 0.481 149 G N 2.157 110.948 108.800 -0.015 0.000 2.166 149 G HA2 -0.272 3.688 3.960 0.001 0.000 0.260 149 G HA3 -0.272 3.688 3.960 0.001 0.000 0.260 149 G C 0.465 175.341 174.900 -0.041 0.000 0.986 149 G CA 0.208 45.289 45.100 -0.031 0.000 0.683 149 G HN 0.857 nan 8.290 nan 0.000 0.527 150 G N -0.894 107.880 108.800 -0.042 0.000 2.522 150 G HA2 0.603 4.564 3.960 0.001 0.000 0.304 150 G HA3 0.603 4.564 3.960 0.001 0.000 0.304 150 G C -0.204 174.644 174.900 -0.087 0.000 1.210 150 G CA -0.774 44.300 45.100 -0.043 0.000 0.960 150 G HN 0.353 nan 8.290 nan 0.000 0.497 151 K N 0.117 120.473 120.400 -0.074 0.000 2.240 151 K HA 0.433 4.754 4.320 0.001 0.000 0.271 151 K C -0.909 175.615 176.600 -0.128 0.000 1.018 151 K CA -0.199 56.026 56.287 -0.103 0.000 0.874 151 K CB 1.858 34.324 32.500 -0.057 0.000 1.098 151 K HN 0.244 nan 8.250 nan 0.000 0.458 152 I N 1.495 121.932 120.570 -0.223 0.000 2.404 152 I HA 0.364 4.535 4.170 0.001 0.000 0.293 152 I C 0.315 176.294 176.117 -0.230 0.000 0.992 152 I CA -0.521 60.588 61.300 -0.317 0.000 1.149 152 I CB 2.124 39.727 38.000 -0.662 0.000 1.315 152 I HN 0.618 nan 8.210 nan 0.000 0.446 153 G N 6.507 115.223 108.800 -0.140 0.000 2.566 153 G HA2 0.746 4.707 3.960 0.001 0.000 0.311 153 G HA3 0.746 4.707 3.960 0.001 0.000 0.311 153 G C -1.143 173.703 174.900 -0.089 0.000 1.322 153 G CA -0.552 44.440 45.100 -0.180 0.000 0.969 153 G HN 0.450 nan 8.290 nan 0.000 0.490 154 L N 1.715 122.839 121.223 -0.164 0.000 2.318 154 L HA 0.461 4.802 4.340 0.001 0.000 0.277 154 L C -1.000 175.810 176.870 -0.100 0.000 1.008 154 L CA -0.615 54.225 54.840 -0.001 0.000 0.846 154 L CB 1.161 43.257 42.059 0.062 0.000 1.220 154 L HN 0.310 nan 8.230 nan 0.000 0.423 155 F N 1.509 121.445 119.950 -0.024 0.000 2.411 155 F HA 0.743 5.270 4.527 0.001 0.000 0.350 155 F C 0.970 176.750 175.800 -0.033 0.000 1.114 155 F CA -0.340 57.621 58.000 -0.066 0.000 1.135 155 F CB 1.899 40.835 39.000 -0.108 0.000 1.120 155 F HN 0.456 nan 8.300 nan 0.000 0.495 156 G N 1.274 110.122 108.800 0.080 0.000 2.732 156 G HA2 0.503 4.464 3.960 0.001 0.000 0.296 156 G HA3 0.503 4.464 3.960 0.001 0.000 0.296 156 G C -0.525 174.292 174.900 -0.137 0.000 1.448 156 G CA -0.493 44.618 45.100 0.018 0.000 0.911 156 G HN 0.918 nan 8.290 nan 0.000 0.528 157 G N -0.317 108.378 108.800 -0.174 0.000 2.570 157 G HA2 0.616 4.577 3.960 0.001 0.000 0.276 157 G HA3 0.616 4.577 3.960 0.001 0.000 0.276 157 G C 0.764 175.573 174.900 -0.151 0.000 1.346 157 G CA 0.345 45.246 45.100 -0.331 0.000 1.034 157 G HN 1.615 nan 8.290 nan 0.000 0.512 158 A N -1.275 121.516 122.820 -0.048 0.000 2.484 158 A HA 0.514 4.835 4.320 0.001 0.000 0.268 158 A C 1.488 179.138 177.584 0.110 0.000 1.114 158 A CA 1.054 53.209 52.037 0.196 0.000 0.780 158 A CB -0.740 18.402 19.000 0.237 0.000 1.061 158 A HN 2.535 nan 8.150 nan 0.000 0.505 159 G N 0.974 109.846 108.800 0.120 0.000 2.143 159 G HA2 -0.190 3.770 3.960 0.001 0.000 0.248 159 G HA3 -0.190 3.770 3.960 0.001 0.000 0.248 159 G C 0.783 175.726 174.900 0.071 0.000 0.991 159 G CA 0.809 45.953 45.100 0.075 0.000 0.689 159 G HN 2.142 nan 8.290 nan 0.000 0.522 160 V N -3.395 116.568 119.914 0.082 0.000 3.354 160 V HA 0.645 4.765 4.120 0.001 0.000 0.258 160 V C 1.670 177.855 176.094 0.151 0.000 1.159 160 V CA 1.600 63.959 62.300 0.098 0.000 1.125 160 V CB 0.435 32.286 31.823 0.048 0.000 0.774 160 V HN 2.086 nan 8.190 nan 0.000 0.464 161 G N -0.039 108.838 108.800 0.128 0.000 2.407 161 G HA2 -0.119 3.841 3.960 0.001 0.000 0.210 161 G HA3 -0.119 3.841 3.960 0.001 0.000 0.210 161 G C 0.534 175.525 174.900 0.150 0.000 1.015 161 G CA 0.138 45.322 45.100 0.140 0.000 0.807 161 G HN 0.372 nan 8.290 nan 0.000 0.539 162 K N 0.052 120.534 120.400 0.137 0.000 2.001 162 K HA -0.119 4.202 4.320 0.001 0.000 0.214 162 K C 2.495 179.190 176.600 0.158 0.000 1.050 162 K CA 2.145 58.517 56.287 0.142 0.000 0.934 162 K CB -0.310 32.267 32.500 0.128 0.000 0.718 162 K HN 0.279 nan 8.250 nan 0.000 0.443 163 T N 1.109 115.754 114.554 0.151 0.000 2.777 163 T HA -0.083 4.267 4.350 0.001 0.000 0.266 163 T C 2.084 176.882 174.700 0.163 0.000 1.040 163 T CA 1.055 63.252 62.100 0.161 0.000 1.141 163 T CB -0.193 68.763 68.868 0.147 0.000 0.868 163 T HN -0.055 nan 8.240 nan 0.000 0.444 164 V N 1.730 121.741 119.914 0.160 0.000 2.332 164 V HA -0.143 3.978 4.120 0.001 0.000 0.248 164 V C 2.416 178.680 176.094 0.285 0.000 1.055 164 V CA 1.328 63.751 62.300 0.204 0.000 1.038 164 V CB -0.678 31.253 31.823 0.180 0.000 0.651 164 V HN 0.314 nan 8.190 nan 0.000 0.450 165 L N -0.280 121.128 121.223 0.308 0.000 2.017 165 L HA -0.142 4.198 4.340 0.001 0.000 0.208 165 L C 2.152 179.154 176.870 0.219 0.000 1.073 165 L CA 1.837 56.888 54.840 0.352 0.000 0.745 165 L CB -0.670 41.587 42.059 0.331 0.000 0.894 165 L HN 0.216 nan 8.230 nan 0.000 0.432 166 I N -1.200 119.487 120.570 0.195 0.000 2.208 166 I HA -0.345 3.826 4.170 0.001 0.000 0.245 166 I C 2.212 178.371 176.117 0.071 0.000 1.097 166 I CA 1.183 62.587 61.300 0.174 0.000 1.363 166 I CB -0.002 38.127 38.000 0.215 0.000 1.051 166 I HN 0.323 nan 8.210 nan 0.000 0.413 167 M N -0.422 119.221 119.600 0.071 0.000 2.175 167 M HA -0.205 4.275 4.480 0.001 0.000 0.264 167 M C 2.103 178.376 176.300 -0.045 0.000 1.063 167 M CA 1.534 56.830 55.300 -0.007 0.000 1.119 167 M CB -1.476 31.141 32.600 0.027 0.000 1.377 167 M HN 0.130 nan 8.290 nan 0.000 0.415 168 E N 0.834 121.014 120.200 -0.032 0.000 2.077 168 E HA -0.105 4.245 4.350 0.001 0.000 0.193 168 E C 2.076 178.582 176.600 -0.158 0.000 0.989 168 E CA 1.178 57.465 56.400 -0.188 0.000 0.800 168 E CB -0.318 29.043 29.700 -0.564 0.000 0.746 168 E HN 0.482 nan 8.360 nan 0.000 0.452 169 L N 0.111 121.299 121.223 -0.057 0.000 2.046 169 L HA -0.180 4.160 4.340 0.001 0.000 0.208 169 L C 2.475 179.351 176.870 0.010 0.000 1.077 169 L CA 1.137 56.005 54.840 0.046 0.000 0.747 169 L CB -0.466 41.723 42.059 0.217 0.000 0.896 169 L HN 0.234 nan 8.230 nan 0.000 0.432 170 I N 0.048 120.516 120.570 -0.169 0.000 2.208 170 I HA -0.339 3.831 4.170 0.001 0.000 0.245 170 I C 2.289 178.332 176.117 -0.123 0.000 1.097 170 I CA 1.773 62.885 61.300 -0.314 0.000 1.363 170 I CB -0.510 37.185 38.000 -0.507 0.000 1.051 170 I HN 0.382 nan 8.210 nan 0.000 0.413 171 N N 1.115 119.753 118.700 -0.103 0.000 2.166 171 N HA -0.180 4.561 4.740 0.001 0.000 0.186 171 N C 1.519 177.001 175.510 -0.046 0.000 1.019 171 N CA 1.604 54.612 53.050 -0.070 0.000 0.856 171 N CB 0.024 38.463 38.487 -0.081 0.000 0.993 171 N HN 0.241 nan 8.380 nan 0.000 0.426 172 N N -1.169 117.505 118.700 -0.044 0.000 2.368 172 N HA 0.057 4.797 4.740 0.001 0.000 0.178 172 N C 1.376 176.901 175.510 0.025 0.000 1.021 172 N CA 0.671 53.706 53.050 -0.025 0.000 0.875 172 N CB 0.034 38.486 38.487 -0.058 0.000 1.020 172 N HN 0.064 nan 8.380 nan 0.000 0.433 173 V N 0.449 120.402 119.914 0.064 0.000 2.581 173 V HA 0.204 4.324 4.120 0.001 0.000 0.240 173 V C 2.123 178.286 176.094 0.114 0.000 1.054 173 V CA 1.313 63.676 62.300 0.105 0.000 1.076 173 V CB -0.590 31.328 31.823 0.159 0.000 0.748 173 V HN 0.215 nan 8.190 nan 0.000 0.474 174 A N -0.225 122.666 122.820 0.117 0.000 1.897 174 A HA -0.135 4.185 4.320 0.001 0.000 0.215 174 A C 2.231 179.887 177.584 0.121 0.000 1.181 174 A CA 1.485 53.595 52.037 0.123 0.000 0.620 174 A CB -0.383 18.682 19.000 0.109 0.000 0.821 174 A HN 0.439 nan 8.150 nan 0.000 0.443 175 K N -0.237 120.202 120.400 0.065 0.000 2.059 175 K HA -0.160 4.161 4.320 0.001 0.000 0.212 175 K C 1.058 177.697 176.600 0.066 0.000 1.050 175 K CA 1.372 57.688 56.287 0.049 0.000 0.927 175 K CB -0.319 32.192 32.500 0.018 0.000 0.714 175 K HN 0.405 nan 8.250 nan 0.000 0.447 176 A N 1.804 124.670 122.820 0.076 0.000 3.157 176 A HA 0.080 4.400 4.320 0.001 0.000 0.276 176 A C -0.852 176.808 177.584 0.127 0.000 1.524 176 A CA -0.322 51.758 52.037 0.072 0.000 1.236 176 A CB -0.357 18.672 19.000 0.049 0.000 1.173 176 A HN 0.299 nan 8.150 nan 0.000 0.595 177 H N 0.316 119.393 119.070 0.011 0.000 2.782 177 H HA 0.419 4.975 4.556 0.001 0.000 0.347 177 H C 0.035 175.345 175.328 -0.031 0.000 1.038 177 H CA -0.063 55.987 56.048 0.003 0.000 1.255 177 H CB 1.808 31.590 29.762 0.034 0.000 1.623 177 H HN 0.344 nan 8.280 nan 0.000 0.525 178 G N 3.005 111.502 108.800 -0.506 0.000 3.882 178 G HA2 0.433 4.394 3.960 0.001 0.000 0.283 178 G HA3 0.433 4.394 3.960 0.001 0.000 0.283 178 G C 0.288 174.816 174.900 -0.620 0.000 1.283 178 G CA 0.324 45.169 45.100 -0.425 0.000 1.402 178 G HN 0.736 nan 8.290 nan 0.000 0.618 179 G N -0.725 107.562 108.800 -0.854 0.000 2.772 179 G HA2 0.538 4.498 3.960 0.001 0.000 0.284 179 G HA3 0.538 4.498 3.960 0.001 0.000 0.284 179 G C -1.461 173.231 174.900 -0.348 0.000 1.217 179 G CA -0.910 43.784 45.100 -0.677 0.000 0.831 179 G HN 0.130 nan 8.290 nan 0.000 0.523 180 Y N -0.324 119.963 120.300 -0.021 0.000 2.453 180 Y HA 0.685 5.235 4.550 0.000 0.000 0.326 180 Y C 0.532 176.443 175.900 0.018 0.000 1.186 180 Y CA -0.657 57.351 58.100 -0.153 0.000 1.200 180 Y CB 2.451 40.478 38.460 -0.720 0.000 1.247 180 Y HN 0.380 nan 8.280 nan 0.000 0.482 181 S N 0.820 116.639 115.700 0.199 0.000 2.548 181 S HA 0.656 5.126 4.470 0.001 0.000 0.286 181 S C -1.373 173.362 174.600 0.224 0.000 1.098 181 S CA -0.758 57.567 58.200 0.209 0.000 0.930 181 S CB 1.924 65.285 63.200 0.269 0.000 1.070 181 S HN 0.315 nan 8.310 nan 0.000 0.480 182 V N 3.010 123.066 119.914 0.237 0.000 2.487 182 V HA 0.515 4.635 4.120 0.001 0.000 0.298 182 V C -1.164 175.082 176.094 0.253 0.000 1.028 182 V CA -0.646 61.789 62.300 0.226 0.000 0.860 182 V CB 1.270 33.194 31.823 0.169 0.000 0.991 182 V HN 0.850 nan 8.190 nan 0.000 0.427 183 F N 4.041 124.064 119.950 0.121 0.000 2.426 183 F HA 0.776 5.303 4.527 0.001 0.000 0.348 183 F C 0.341 176.075 175.800 -0.111 0.000 1.124 183 F CA -0.464 57.578 58.000 0.070 0.000 1.008 183 F CB 1.196 40.236 39.000 0.067 0.000 1.139 183 F HN 0.567 nan 8.300 nan 0.000 0.452 184 A N 4.619 127.171 122.820 -0.447 0.000 2.258 184 A HA 0.620 4.941 4.320 0.001 0.000 0.316 184 A C 0.016 177.294 177.584 -0.510 0.000 1.279 184 A CA -0.386 51.414 52.037 -0.395 0.000 0.876 184 A CB 0.312 19.142 19.000 -0.283 0.000 1.170 184 A HN 0.989 nan 8.150 nan 0.000 0.520 185 G N 1.350 109.787 108.800 -0.605 0.000 2.356 185 G HA2 0.495 4.455 3.960 0.001 0.000 0.300 185 G HA3 0.495 4.455 3.960 0.001 0.000 0.300 185 G C -0.607 174.236 174.900 -0.096 0.000 1.107 185 G CA -0.120 44.795 45.100 -0.308 0.000 0.960 185 G HN 0.725 nan 8.290 nan 0.000 0.418 186 V N 2.786 122.681 119.914 -0.032 0.000 2.349 186 V HA 0.592 4.712 4.120 0.001 0.000 0.284 186 V C 1.100 177.221 176.094 0.044 0.000 1.014 186 V CA 0.268 62.567 62.300 -0.001 0.000 0.826 186 V CB 0.817 32.621 31.823 -0.031 0.000 1.009 186 V HN 1.345 nan 8.190 nan 0.000 0.431 187 G N 3.337 112.171 108.800 0.056 0.000 2.203 187 G HA2 -0.199 3.762 3.960 0.001 0.000 0.263 187 G HA3 -0.199 3.762 3.960 0.001 0.000 0.263 187 G C 0.245 175.180 174.900 0.059 0.000 1.012 187 G CA 0.583 45.710 45.100 0.045 0.000 0.749 187 G HN 0.580 nan 8.290 nan 0.000 0.512 188 E N -0.600 119.660 120.200 0.102 0.000 3.232 188 E HA 0.458 4.808 4.350 0.001 0.000 0.248 188 E C 0.899 177.566 176.600 0.111 0.000 1.048 188 E CA -0.869 55.598 56.400 0.111 0.000 1.204 188 E CB 0.438 30.232 29.700 0.157 0.000 1.535 188 E HN 0.370 nan 8.360 nan 0.000 0.567 189 R N 0.324 120.893 120.500 0.115 0.000 2.298 189 R HA 0.200 4.540 4.340 0.001 0.000 0.310 189 R C 1.156 177.504 176.300 0.079 0.000 1.068 189 R CA 0.045 56.195 56.100 0.083 0.000 0.957 189 R CB 0.415 30.758 30.300 0.071 0.000 1.003 189 R HN 0.381 nan 8.270 nan 0.000 0.454 190 T N 2.866 117.446 114.554 0.043 0.000 2.803 190 T HA -0.179 4.171 4.350 0.001 0.000 0.269 190 T C 1.677 176.354 174.700 -0.038 0.000 1.052 190 T CA 1.751 63.847 62.100 -0.006 0.000 1.136 190 T CB -0.064 68.794 68.868 -0.015 0.000 0.864 190 T HN 0.570 nan 8.240 nan 0.000 0.467 191 R N 1.652 122.152 120.500 -0.000 0.000 2.153 191 R HA 0.143 4.484 4.340 0.001 0.000 0.218 191 R C 1.872 178.178 176.300 0.011 0.000 1.072 191 R CA 1.218 57.321 56.100 0.003 0.000 0.990 191 R CB -0.544 29.767 30.300 0.019 0.000 0.889 191 R HN 0.334 nan 8.270 nan 0.000 0.452 192 E N 0.555 120.773 120.200 0.031 0.000 2.153 192 E HA -0.079 4.272 4.350 0.001 0.000 0.194 192 E C 2.021 178.623 176.600 0.003 0.000 0.988 192 E CA 1.184 57.612 56.400 0.046 0.000 0.811 192 E CB -0.245 29.515 29.700 0.100 0.000 0.746 192 E HN 0.644 nan 8.360 nan 0.000 0.466 193 G N 1.186 109.946 108.800 -0.067 0.000 2.421 193 G HA2 -0.362 3.598 3.960 0.001 0.000 0.216 193 G HA3 -0.362 3.598 3.960 0.001 0.000 0.216 193 G C 1.419 176.165 174.900 -0.255 0.000 1.171 193 G CA 1.110 45.984 45.100 -0.376 0.000 0.775 193 G HN 0.215 nan 8.290 nan 0.000 0.543 194 N N 0.654 119.276 118.700 -0.131 0.000 2.069 194 N HA -0.118 4.622 4.740 0.001 0.000 0.191 194 N C 1.761 177.356 175.510 0.141 0.000 1.031 194 N CA 1.729 54.799 53.050 0.034 0.000 0.852 194 N CB -0.142 38.389 38.487 0.073 0.000 1.018 194 N HN 0.158 nan 8.380 nan 0.000 0.423 195 D N 0.112 120.554 120.400 0.069 0.000 2.106 195 D HA -0.174 4.466 4.640 0.001 0.000 0.191 195 D C 1.949 178.269 176.300 0.033 0.000 0.997 195 D CA 0.876 54.914 54.000 0.063 0.000 0.834 195 D CB -0.608 40.212 40.800 0.033 0.000 0.956 195 D HN 0.281 nan 8.370 nan 0.000 0.448 196 L N 0.054 121.261 121.223 -0.027 0.000 2.017 196 L HA -0.195 4.145 4.340 0.001 0.000 0.208 196 L C 2.303 179.150 176.870 -0.038 0.000 1.073 196 L CA 1.563 56.350 54.840 -0.089 0.000 0.745 196 L CB -1.048 40.872 42.059 -0.231 0.000 0.894 196 L HN 0.013 nan 8.230 nan 0.000 0.432 197 Y N 0.285 120.476 120.300 -0.181 0.000 2.114 197 Y HA -0.340 4.211 4.550 0.001 0.000 0.282 197 Y C 2.616 178.360 175.900 -0.260 0.000 1.165 197 Y CA 2.479 60.433 58.100 -0.245 0.000 1.148 197 Y CB -0.677 37.562 38.460 -0.369 0.000 0.972 197 Y HN 0.497 nan 8.280 nan 0.000 0.504 198 H N -1.432 117.587 119.070 -0.086 0.000 2.470 198 H HA -0.025 4.532 4.556 0.001 0.000 0.289 198 H C 2.063 177.308 175.328 -0.138 0.000 1.033 198 H CA 1.041 56.986 56.048 -0.172 0.000 1.331 198 H CB 0.047 29.763 29.762 -0.076 0.000 1.414 198 H HN 0.395 nan 8.280 nan 0.000 0.545 199 E N 1.134 121.332 120.200 -0.003 0.000 2.051 199 E HA -0.182 4.169 4.350 0.001 0.000 0.192 199 E C 1.867 178.425 176.600 -0.069 0.000 0.991 199 E CA 1.538 57.918 56.400 -0.034 0.000 0.799 199 E CB -0.174 29.503 29.700 -0.038 0.000 0.748 199 E HN 0.436 nan 8.360 nan 0.000 0.449 200 M N -0.291 119.248 119.600 -0.102 0.000 2.254 200 M HA -0.006 4.475 4.480 0.001 0.000 0.265 200 M C 2.221 178.444 176.300 -0.129 0.000 1.066 200 M CA 0.987 56.226 55.300 -0.101 0.000 1.123 200 M CB -0.169 32.380 32.600 -0.085 0.000 1.388 200 M HN 0.170 nan 8.290 nan 0.000 0.425 201 I N -0.137 120.306 120.570 -0.211 0.000 2.252 201 I HA -0.244 3.926 4.170 0.001 0.000 0.245 201 I C 2.693 178.747 176.117 -0.105 0.000 1.102 201 I CA 1.083 62.260 61.300 -0.205 0.000 1.385 201 I CB -0.369 37.444 38.000 -0.312 0.000 1.064 201 I HN 0.289 nan 8.210 nan 0.000 0.414 202 E N 0.821 120.974 120.200 -0.077 0.000 2.072 202 E HA -0.194 4.156 4.350 0.001 0.000 0.191 202 E C 2.330 178.905 176.600 -0.042 0.000 0.985 202 E CA 1.831 58.203 56.400 -0.047 0.000 0.801 202 E CB -0.028 29.652 29.700 -0.033 0.000 0.750 202 E HN 0.494 nan 8.360 nan 0.000 0.452 203 S N -1.270 114.404 115.700 -0.045 0.000 2.453 203 S HA 0.037 4.508 4.470 0.001 0.000 0.231 203 S C 1.630 176.213 174.600 -0.029 0.000 1.005 203 S CA 1.176 59.355 58.200 -0.034 0.000 0.949 203 S CB 0.108 63.288 63.200 -0.034 0.000 0.774 203 S HN 0.365 nan 8.310 nan 0.000 0.510 204 G N 0.474 109.251 108.800 -0.038 0.000 2.157 204 G HA2 -0.326 3.634 3.960 0.001 0.000 0.248 204 G HA3 -0.326 3.634 3.960 0.001 0.000 0.248 204 G C 0.839 175.728 174.900 -0.018 0.000 0.979 204 G CA 0.609 45.691 45.100 -0.030 0.000 0.650 204 G HN 1.428 nan 8.290 nan 0.000 0.529 205 V N -1.696 118.208 119.914 -0.018 0.000 2.667 205 V HA 0.402 4.523 4.120 0.001 0.000 0.252 205 V C 1.397 177.496 176.094 0.007 0.000 1.065 205 V CA 1.362 63.665 62.300 0.005 0.000 1.083 205 V CB -0.158 31.673 31.823 0.014 0.000 0.692 205 V HN 0.456 nan 8.190 nan 0.000 0.468 206 I N 2.241 122.796 120.570 -0.025 0.000 2.359 206 I HA 0.419 4.590 4.170 0.001 0.000 0.294 206 I C -0.371 175.717 176.117 -0.049 0.000 0.987 206 I CA -0.162 61.119 61.300 -0.031 0.000 1.225 206 I CB 1.342 39.303 38.000 -0.064 0.000 1.366 206 I HN 0.205 nan 8.210 nan 0.000 0.466 207 N N 6.655 125.341 118.700 -0.023 0.000 2.399 207 N HA 0.344 5.084 4.740 0.001 0.000 0.280 207 N C 0.219 175.720 175.510 -0.015 0.000 1.008 207 N CA -0.443 52.593 53.050 -0.024 0.000 0.894 207 N CB 2.050 40.531 38.487 -0.009 0.000 1.273 207 N HN 0.574 nan 8.380 nan 0.000 0.486 208 L N 2.537 123.746 121.223 -0.023 0.000 2.492 208 L HA 0.075 4.416 4.340 0.001 0.000 0.223 208 L C 1.634 178.507 176.870 0.004 0.000 1.132 208 L CA 0.613 55.450 54.840 -0.005 0.000 0.850 208 L CB 0.047 42.100 42.059 -0.010 0.000 0.966 208 L HN 0.406 nan 8.230 nan 0.000 0.454 209 K N -1.334 119.066 120.400 -0.000 0.000 2.367 209 K HA 0.201 4.521 4.320 0.001 0.000 0.198 209 K C 0.154 176.757 176.600 0.005 0.000 1.132 209 K CA -0.048 56.240 56.287 0.003 0.000 0.941 209 K CB 0.521 33.021 32.500 0.000 0.000 1.052 209 K HN 0.102 nan 8.250 nan 0.000 0.507 210 D N 0.866 121.268 120.400 0.004 0.000 2.433 210 D HA 0.220 4.860 4.640 0.001 0.000 0.255 210 D C 0.362 176.669 176.300 0.011 0.000 1.226 210 D CA -0.036 53.969 54.000 0.008 0.000 1.015 210 D CB 1.043 41.848 40.800 0.008 0.000 1.091 210 D HN 0.070 nan 8.370 nan 0.000 0.527 211 A N -0.486 122.343 122.820 0.015 0.000 2.423 211 A HA 0.079 4.399 4.320 0.001 0.000 0.246 211 A C 1.137 178.737 177.584 0.027 0.000 1.278 211 A CA 0.030 52.077 52.037 0.018 0.000 0.903 211 A CB -0.418 18.594 19.000 0.020 0.000 0.997 211 A HN 0.467 nan 8.150 nan 0.000 0.510 212 T N -2.347 112.223 114.554 0.027 0.000 3.206 212 T HA 0.200 4.551 4.350 0.001 0.000 0.253 212 T C 0.451 175.178 174.700 0.044 0.000 1.042 212 T CA 0.054 62.178 62.100 0.039 0.000 0.931 212 T CB -0.440 68.445 68.868 0.028 0.000 1.029 212 T HN 0.095 nan 8.240 nan 0.000 0.564 213 S N 2.191 117.910 115.700 0.032 0.000 2.533 213 S HA 0.212 4.683 4.470 0.001 0.000 0.282 213 S C 1.017 175.647 174.600 0.051 0.000 1.304 213 S CA -0.544 57.675 58.200 0.032 0.000 1.063 213 S CB 0.671 63.884 63.200 0.022 0.000 0.881 213 S HN 0.337 nan 8.310 nan 0.000 0.493 214 K N 1.651 122.102 120.400 0.086 0.000 2.358 214 K HA 0.219 4.539 4.320 0.001 0.000 0.200 214 K C -0.476 176.207 176.600 0.138 0.000 1.030 214 K CA 0.198 56.587 56.287 0.169 0.000 1.097 214 K CB 0.627 33.233 32.500 0.176 0.000 0.862 214 K HN 0.367 nan 8.250 nan 0.000 0.534 215 V N 1.029 120.996 119.914 0.089 0.000 2.656 215 V HA 0.514 4.635 4.120 0.001 0.000 0.307 215 V C -0.488 175.675 176.094 0.114 0.000 1.051 215 V CA -1.357 61.014 62.300 0.117 0.000 0.893 215 V CB 1.744 33.653 31.823 0.142 0.000 0.999 215 V HN 0.101 nan 8.190 nan 0.000 0.426 216 A N 5.383 128.299 122.820 0.159 0.000 2.292 216 A HA 0.864 5.184 4.320 0.001 0.000 0.319 216 A C -0.728 176.971 177.584 0.192 0.000 1.206 216 A CA -0.457 51.686 52.037 0.177 0.000 0.835 216 A CB 0.513 19.657 19.000 0.240 0.000 1.164 216 A HN 0.809 nan 8.150 nan 0.000 0.505 217 L N 2.805 124.138 121.223 0.183 0.000 2.317 217 L HA 0.658 4.999 4.340 0.001 0.000 0.281 217 L C -0.916 176.056 176.870 0.170 0.000 1.024 217 L CA -0.844 54.133 54.840 0.230 0.000 0.810 217 L CB 1.809 44.064 42.059 0.326 0.000 1.240 217 L HN 0.424 nan 8.230 nan 0.000 0.427 218 V N 2.910 122.870 119.914 0.077 0.000 2.623 218 V HA 0.463 4.584 4.120 0.001 0.000 0.304 218 V C -1.342 174.676 176.094 -0.126 0.000 1.054 218 V CA -0.697 61.618 62.300 0.026 0.000 0.882 218 V CB 1.919 33.727 31.823 -0.024 0.000 1.002 218 V HN 0.456 nan 8.190 nan 0.000 0.424 219 Y N 1.451 121.777 120.300 0.043 0.000 2.457 219 Y HA 0.760 5.310 4.550 0.001 0.000 0.343 219 Y C 0.506 176.421 175.900 0.025 0.000 0.994 219 Y CA -0.629 57.499 58.100 0.047 0.000 1.031 219 Y CB 2.878 41.358 38.460 0.034 0.000 1.246 219 Y HN 0.739 nan 8.280 nan 0.000 0.449 220 G N 3.730 112.630 108.800 0.167 0.000 3.025 220 G HA2 0.331 4.292 3.960 0.001 0.000 0.305 220 G HA3 0.331 4.292 3.960 0.001 0.000 0.305 220 G C -1.028 173.938 174.900 0.110 0.000 1.568 220 G CA -0.553 44.611 45.100 0.107 0.000 0.916 220 G HN 0.306 nan 8.290 nan 0.000 0.502 221 Q N 1.108 120.988 119.800 0.133 0.000 2.177 221 Q HA 0.297 4.638 4.340 0.001 0.000 0.183 221 Q C 1.960 178.000 176.000 0.066 0.000 1.040 221 Q CA -0.734 55.142 55.803 0.122 0.000 1.089 221 Q CB 0.649 29.471 28.738 0.141 0.000 1.130 221 Q HN 0.722 nan 8.270 nan 0.000 0.575 222 M N -1.067 118.565 119.600 0.054 0.000 2.682 222 M HA 0.052 4.532 4.480 0.001 0.000 0.235 222 M C 0.515 176.827 176.300 0.020 0.000 1.114 222 M CA 1.122 56.439 55.300 0.028 0.000 1.053 222 M CB -0.709 31.903 32.600 0.020 0.000 1.599 222 M HN 0.510 nan 8.290 nan 0.000 0.520 223 N N -0.498 118.217 118.700 0.025 0.000 2.353 223 N HA 0.065 4.806 4.740 0.001 0.000 0.185 223 N C -0.235 175.283 175.510 0.015 0.000 1.098 223 N CA -0.271 52.789 53.050 0.017 0.000 0.872 223 N CB 0.176 38.672 38.487 0.015 0.000 0.970 223 N HN 0.276 nan 8.380 nan 0.000 0.467 224 E N 1.994 122.205 120.200 0.019 0.000 2.313 224 E HA 0.266 4.616 4.350 0.001 0.000 0.272 224 E C -2.117 174.487 176.600 0.006 0.000 1.038 224 E CA -2.076 54.333 56.400 0.016 0.000 0.863 224 E CB 0.890 30.605 29.700 0.025 0.000 1.060 224 E HN 0.203 nan 8.360 nan 0.000 0.402 225 P HA 0.118 nan 4.420 nan 0.000 0.274 225 P C -1.994 175.301 177.300 -0.010 0.000 1.256 225 P CA -1.183 61.915 63.100 -0.004 0.000 0.795 225 P CB 0.179 31.878 31.700 -0.002 0.000 1.038 226 P HA -0.167 nan 4.420 nan 0.000 0.216 226 P C 1.653 178.933 177.300 -0.033 0.000 1.150 226 P CA 1.895 64.973 63.100 -0.036 0.000 0.837 226 P CB -0.687 30.986 31.700 -0.045 0.000 0.786 227 G N 0.522 109.311 108.800 -0.018 0.000 2.440 227 G HA2 -0.233 3.727 3.960 0.001 0.000 0.218 227 G HA3 -0.233 3.727 3.960 0.001 0.000 0.218 227 G C 1.816 176.720 174.900 0.006 0.000 1.154 227 G CA 1.135 46.231 45.100 -0.006 0.000 0.767 227 G HN 0.376 nan 8.290 nan 0.000 0.552 228 A N 0.750 123.575 122.820 0.008 0.000 1.873 228 A HA 0.026 4.347 4.320 0.001 0.000 0.215 228 A C 2.430 180.026 177.584 0.020 0.000 1.186 228 A CA 1.598 53.645 52.037 0.017 0.000 0.616 228 A CB -0.419 18.592 19.000 0.018 0.000 0.823 228 A HN 0.330 nan 8.150 nan 0.000 0.442 229 R N -0.605 119.901 120.500 0.010 0.000 2.096 229 R HA -0.094 4.246 4.340 0.001 0.000 0.235 229 R C 2.294 178.610 176.300 0.026 0.000 1.127 229 R CA 1.172 57.279 56.100 0.011 0.000 0.968 229 R CB -0.400 29.893 30.300 -0.013 0.000 0.861 229 R HN 0.515 nan 8.270 nan 0.000 0.440 230 A N 0.448 123.263 122.820 -0.008 0.000 2.119 230 A HA -0.053 4.267 4.320 0.001 0.000 0.217 230 A C 1.801 179.466 177.584 0.136 0.000 1.153 230 A CA 0.941 52.963 52.037 -0.024 0.000 0.692 230 A CB 0.036 18.962 19.000 -0.124 0.000 0.799 230 A HN 0.076 nan 8.150 nan 0.000 0.458 231 R N -0.927 119.625 120.500 0.087 0.000 2.250 231 R HA 0.065 4.406 4.340 0.001 0.000 0.194 231 R C 1.946 178.260 176.300 0.023 0.000 0.927 231 R CA 1.247 57.386 56.100 0.066 0.000 1.052 231 R CB -0.810 29.513 30.300 0.038 0.000 1.055 231 R HN 0.468 nan 8.270 nan 0.000 0.537 232 V N 0.073 120.001 119.914 0.023 0.000 2.453 232 V HA -0.167 3.954 4.120 0.001 0.000 0.252 232 V C 2.453 178.518 176.094 -0.048 0.000 1.068 232 V CA 1.904 64.198 62.300 -0.010 0.000 1.070 232 V CB -1.343 30.478 31.823 -0.004 0.000 0.664 232 V HN 0.142 nan 8.190 nan 0.000 0.461 233 A N 0.902 123.696 122.820 -0.044 0.000 1.908 233 A HA -0.081 4.239 4.320 0.001 0.000 0.218 233 A C 2.260 179.752 177.584 -0.153 0.000 1.181 233 A CA 2.095 54.055 52.037 -0.129 0.000 0.627 233 A CB -0.584 18.296 19.000 -0.199 0.000 0.818 233 A HN 0.549 nan 8.150 nan 0.000 0.445 234 L N -0.636 120.509 121.223 -0.130 0.000 2.046 234 L HA -0.175 4.166 4.340 0.001 0.000 0.208 234 L C 2.766 179.555 176.870 -0.135 0.000 1.077 234 L CA 1.961 56.706 54.840 -0.159 0.000 0.747 234 L CB -1.533 40.402 42.059 -0.207 0.000 0.896 234 L HN 0.382 nan 8.230 nan 0.000 0.432 235 T N -0.051 114.441 114.554 -0.104 0.000 2.708 235 T HA -0.132 4.219 4.350 0.001 0.000 0.266 235 T C 1.892 176.547 174.700 -0.075 0.000 1.037 235 T CA 1.430 63.483 62.100 -0.078 0.000 1.146 235 T CB -0.649 68.190 68.868 -0.048 0.000 0.865 235 T HN 0.545 nan 8.240 nan 0.000 0.435 236 G N 1.369 110.119 108.800 -0.083 0.000 2.418 236 G HA2 -0.131 3.830 3.960 0.001 0.000 0.217 236 G HA3 -0.131 3.830 3.960 0.001 0.000 0.217 236 G C 1.534 176.389 174.900 -0.075 0.000 1.158 236 G CA 0.681 45.734 45.100 -0.078 0.000 0.771 236 G HN 0.498 nan 8.290 nan 0.000 0.545 237 L N 0.546 121.708 121.223 -0.103 0.000 2.046 237 L HA -0.082 4.258 4.340 0.001 0.000 0.208 237 L C 2.836 179.662 176.870 -0.074 0.000 1.077 237 L CA 2.136 56.915 54.840 -0.101 0.000 0.747 237 L CB -0.624 41.351 42.059 -0.140 0.000 0.896 237 L HN 0.210 nan 8.230 nan 0.000 0.432 238 T N -0.217 114.289 114.554 -0.080 0.000 2.720 238 T HA -0.189 4.162 4.350 0.001 0.000 0.268 238 T C 1.951 176.607 174.700 -0.073 0.000 1.037 238 T CA 1.669 63.728 62.100 -0.067 0.000 1.144 238 T CB -0.413 68.412 68.868 -0.071 0.000 0.864 238 T HN 0.249 nan 8.240 nan 0.000 0.444 239 V N 1.751 121.612 119.914 -0.089 0.000 2.287 239 V HA -0.215 3.906 4.120 0.001 0.000 0.248 239 V C 2.900 178.924 176.094 -0.117 0.000 1.053 239 V CA 1.820 64.031 62.300 -0.148 0.000 1.027 239 V CB -1.256 30.522 31.823 -0.075 0.000 0.646 239 V HN 0.554 nan 8.190 nan 0.000 0.447 240 A N -0.567 122.269 122.820 0.027 0.000 1.902 240 A HA -0.251 4.069 4.320 0.001 0.000 0.217 240 A C 2.162 179.808 177.584 0.103 0.000 1.181 240 A CA 1.890 54.010 52.037 0.138 0.000 0.623 240 A CB -0.503 18.537 19.000 0.067 0.000 0.818 240 A HN 0.635 nan 8.150 nan 0.000 0.443 241 E N -1.568 118.645 120.200 0.022 0.000 2.058 241 E HA -0.256 4.095 4.350 0.001 0.000 0.194 241 E C 1.859 178.469 176.600 0.016 0.000 0.997 241 E CA 1.650 58.057 56.400 0.011 0.000 0.801 241 E CB -0.372 29.322 29.700 -0.011 0.000 0.746 241 E HN 0.811 nan 8.360 nan 0.000 0.450 242 Y N 0.537 120.748 120.300 -0.148 0.000 2.097 242 Y HA -0.286 4.265 4.550 0.001 0.000 0.282 242 Y C 1.948 177.799 175.900 -0.082 0.000 1.152 242 Y CA 1.815 59.801 58.100 -0.189 0.000 1.136 242 Y CB -0.454 37.786 38.460 -0.368 0.000 0.975 242 Y HN -0.019 nan 8.280 nan 0.000 0.498 243 F N 0.066 120.165 119.950 0.249 0.000 2.126 243 F HA -0.258 4.269 4.527 0.000 0.000 0.299 243 F C 2.808 178.644 175.800 0.061 0.000 1.096 243 F CA 1.438 59.562 58.000 0.206 0.000 1.255 243 F CB -0.403 38.761 39.000 0.274 0.000 0.997 243 F HN -0.004 nan 8.300 nan 0.000 0.479 244 R N 0.592 121.214 120.500 0.203 0.000 2.081 244 R HA -0.164 4.176 4.340 0.001 0.000 0.235 244 R C 1.443 177.746 176.300 0.005 0.000 1.131 244 R CA 2.178 58.330 56.100 0.087 0.000 0.960 244 R CB -0.251 30.080 30.300 0.051 0.000 0.856 244 R HN 0.212 nan 8.270 nan 0.000 0.436 245 D N -0.154 120.208 120.400 -0.063 0.000 2.290 245 D HA -0.047 4.593 4.640 0.001 0.000 0.224 245 D C 1.291 177.477 176.300 -0.190 0.000 0.967 245 D CA 0.712 54.645 54.000 -0.112 0.000 0.893 245 D CB -0.154 40.578 40.800 -0.115 0.000 1.037 245 D HN 0.159 nan 8.370 nan 0.000 0.477 246 Q N 0.398 119.953 119.800 -0.409 0.000 2.253 246 Q HA 0.115 4.456 4.340 0.001 0.000 0.210 246 Q C 0.351 176.133 176.000 -0.363 0.000 0.907 246 Q CA 0.409 55.874 55.803 -0.564 0.000 0.948 246 Q CB 1.101 29.090 28.738 -1.247 0.000 1.033 246 Q HN 0.318 nan 8.270 nan 0.000 0.471 247 E N -1.158 118.958 120.200 -0.140 0.000 2.633 247 E HA 0.178 4.529 4.350 0.001 0.000 0.214 247 E C 0.764 177.365 176.600 0.002 0.000 0.898 247 E CA 0.622 57.033 56.400 0.018 0.000 1.422 247 E CB 0.674 30.490 29.700 0.193 0.000 1.398 247 E HN 0.300 nan 8.360 nan 0.000 0.752 248 G N 1.299 110.086 108.800 -0.022 0.000 2.166 248 G HA2 -0.324 3.636 3.960 0.001 0.000 0.260 248 G HA3 -0.324 3.636 3.960 0.001 0.000 0.260 248 G C 0.395 175.293 174.900 -0.002 0.000 0.986 248 G CA 0.931 46.020 45.100 -0.018 0.000 0.683 248 G HN 0.191 nan 8.290 nan 0.000 0.527 249 Q N 0.252 120.067 119.800 0.024 0.000 2.171 249 Q HA 0.536 4.876 4.340 0.001 0.000 0.217 249 Q C -0.238 175.776 176.000 0.024 0.000 0.995 249 Q CA -0.734 55.070 55.803 0.003 0.000 0.979 249 Q CB 0.479 29.197 28.738 -0.035 0.000 1.152 249 Q HN 0.235 nan 8.270 nan 0.000 0.525 250 D N 0.132 120.533 120.400 0.003 0.000 2.339 250 D HA 0.266 4.907 4.640 0.001 0.000 0.241 250 D C -0.915 175.489 176.300 0.173 0.000 1.183 250 D CA 0.005 54.050 54.000 0.076 0.000 0.859 250 D CB 0.635 41.486 40.800 0.085 0.000 1.067 250 D HN 0.051 nan 8.370 nan 0.000 0.484 251 V N 3.403 123.398 119.914 0.135 0.000 2.547 251 V HA 0.427 4.548 4.120 0.001 0.000 0.299 251 V C 0.268 176.351 176.094 -0.019 0.000 1.040 251 V CA -0.861 61.516 62.300 0.129 0.000 0.913 251 V CB 1.729 33.642 31.823 0.150 0.000 0.992 251 V HN 0.321 nan 8.190 nan 0.000 0.449 252 L N 4.867 126.024 121.223 -0.110 0.000 2.317 252 L HA 0.637 4.978 4.340 0.001 0.000 0.281 252 L C -0.845 175.873 176.870 -0.254 0.000 1.024 252 L CA -0.618 54.035 54.840 -0.312 0.000 0.810 252 L CB 1.634 43.465 42.059 -0.379 0.000 1.240 252 L HN 0.431 nan 8.230 nan 0.000 0.427 253 L N 3.517 124.466 121.223 -0.456 0.000 2.372 253 L HA 0.589 4.930 4.340 0.001 0.000 0.274 253 L C -1.432 175.093 176.870 -0.575 0.000 0.988 253 L CA 0.079 54.716 54.840 -0.338 0.000 0.833 253 L CB 1.174 43.106 42.059 -0.213 0.000 1.236 253 L HN 0.230 nan 8.230 nan 0.000 0.410 254 F N 5.825 125.658 119.950 -0.195 0.000 2.458 254 F HA 0.659 5.187 4.527 0.001 0.000 0.336 254 F C -0.047 175.363 175.800 -0.649 0.000 1.114 254 F CA -0.488 57.316 58.000 -0.326 0.000 0.987 254 F CB 1.650 40.547 39.000 -0.172 0.000 1.130 254 F HN 0.232 nan 8.300 nan 0.000 0.458 255 I N 2.704 123.041 120.570 -0.389 0.000 2.478 255 I HA 0.286 4.456 4.170 0.001 0.000 0.287 255 I C -1.405 174.519 176.117 -0.322 0.000 1.042 255 I CA -0.517 60.511 61.300 -0.452 0.000 1.067 255 I CB 1.982 39.804 38.000 -0.296 0.000 1.233 255 I HN 0.421 nan 8.210 nan 0.000 0.431 256 D N 6.213 126.421 120.400 -0.321 0.000 2.421 256 D HA 0.296 4.936 4.640 0.001 0.000 0.254 256 D C -1.333 174.971 176.300 0.007 0.000 1.238 256 D CA -0.202 53.772 54.000 -0.043 0.000 0.919 256 D CB 1.106 42.001 40.800 0.160 0.000 1.152 256 D HN 0.419 nan 8.370 nan 0.000 0.552 257 N N 4.500 123.214 118.700 0.023 0.000 2.454 257 N HA 0.119 4.859 4.740 0.001 0.000 0.291 257 N C 0.530 176.071 175.510 0.053 0.000 1.079 257 N CA -0.476 52.603 53.050 0.048 0.000 0.893 257 N CB 1.524 40.089 38.487 0.129 0.000 1.512 257 N HN 0.251 nan 8.380 nan 0.000 0.497 258 I N 4.017 124.588 120.570 0.001 0.000 2.567 258 I HA -0.118 4.052 4.170 0.001 0.000 0.257 258 I C 1.730 177.918 176.117 0.118 0.000 1.184 258 I CA 0.864 62.158 61.300 -0.011 0.000 1.451 258 I CB -0.565 37.359 38.000 -0.127 0.000 1.089 258 I HN 0.629 nan 8.210 nan 0.000 0.441 259 F N 1.549 121.524 119.950 0.041 0.000 2.202 259 F HA -0.240 4.288 4.527 0.001 0.000 0.301 259 F C 2.313 178.196 175.800 0.138 0.000 1.082 259 F CA 1.573 59.640 58.000 0.112 0.000 1.313 259 F CB -0.382 38.720 39.000 0.170 0.000 1.024 259 F HN -0.004 nan 8.300 nan 0.000 0.495 260 R N -0.066 120.390 120.500 -0.074 0.000 2.189 260 R HA -0.181 4.159 4.340 0.001 0.000 0.223 260 R C 2.217 178.427 176.300 -0.149 0.000 1.092 260 R CA 1.354 57.338 56.100 -0.193 0.000 0.989 260 R CB -1.632 28.660 30.300 -0.014 0.000 0.876 260 R HN 0.519 nan 8.270 nan 0.000 0.457 261 F N 1.688 121.525 119.950 -0.189 0.000 2.102 261 F HA -0.186 4.342 4.527 0.001 0.000 0.298 261 F C 1.997 177.700 175.800 -0.161 0.000 1.105 261 F CA 1.664 59.577 58.000 -0.145 0.000 1.239 261 F CB -0.354 38.576 39.000 -0.117 0.000 0.991 261 F HN -0.150 nan 8.300 nan 0.000 0.474 262 T N 0.236 114.633 114.554 -0.262 0.000 2.770 262 T HA -0.220 4.131 4.350 0.001 0.000 0.263 262 T C 1.895 176.409 174.700 -0.310 0.000 1.039 262 T CA 1.510 63.406 62.100 -0.339 0.000 1.142 262 T CB -0.393 68.420 68.868 -0.091 0.000 0.868 262 T HN 0.461 nan 8.240 nan 0.000 0.435 263 Q N 0.675 120.185 119.800 -0.484 0.000 2.096 263 Q HA -0.140 4.201 4.340 0.001 0.000 0.204 263 Q C 2.453 178.319 176.000 -0.224 0.000 0.982 263 Q CA 1.635 57.220 55.803 -0.363 0.000 0.850 263 Q CB -0.312 28.052 28.738 -0.623 0.000 0.901 263 Q HN 0.524 nan 8.270 nan 0.000 0.422 264 A N 0.432 123.103 122.820 -0.249 0.000 1.908 264 A HA -0.133 4.187 4.320 0.001 0.000 0.218 264 A C 2.273 179.744 177.584 -0.188 0.000 1.181 264 A CA 1.688 53.615 52.037 -0.182 0.000 0.627 264 A CB -1.314 17.591 19.000 -0.159 0.000 0.818 264 A HN 0.618 nan 8.150 nan 0.000 0.445 265 G N -1.047 107.584 108.800 -0.283 0.000 2.432 265 G HA2 -0.169 3.792 3.960 0.001 0.000 0.219 265 G HA3 -0.169 3.792 3.960 0.001 0.000 0.219 265 G C 1.879 176.706 174.900 -0.122 0.000 1.135 265 G CA 1.447 46.398 45.100 -0.247 0.000 0.767 265 G HN 0.576 nan 8.290 nan 0.000 0.550 266 S N 0.383 116.035 115.700 -0.079 0.000 2.368 266 S HA -0.126 4.345 4.470 0.001 0.000 0.225 266 S C 2.234 176.803 174.600 -0.051 0.000 1.030 266 S CA 1.867 60.056 58.200 -0.018 0.000 0.999 266 S CB -0.298 62.903 63.200 0.002 0.000 0.844 266 S HN 0.598 nan 8.310 nan 0.000 0.459 267 E N 0.264 120.423 120.200 -0.067 0.000 2.110 267 E HA -0.102 4.249 4.350 0.001 0.000 0.193 267 E C 2.131 178.704 176.600 -0.044 0.000 0.988 267 E CA 1.566 57.933 56.400 -0.055 0.000 0.804 267 E CB -0.205 29.462 29.700 -0.056 0.000 0.745 267 E HN 0.673 nan 8.360 nan 0.000 0.458 268 V N -1.987 117.897 119.914 -0.050 0.000 3.354 268 V HA 0.024 4.145 4.120 0.001 0.000 0.258 268 V C 2.151 178.228 176.094 -0.028 0.000 1.159 268 V CA 1.210 63.488 62.300 -0.037 0.000 1.125 268 V CB 0.504 32.304 31.823 -0.039 0.000 0.774 268 V HN 0.083 nan 8.190 nan 0.000 0.464 269 S N 1.081 116.763 115.700 -0.030 0.000 2.382 269 S HA -0.094 4.377 4.470 0.001 0.000 0.228 269 S C 2.167 176.761 174.600 -0.009 0.000 1.027 269 S CA 1.840 60.030 58.200 -0.017 0.000 0.991 269 S CB -0.446 62.748 63.200 -0.009 0.000 0.823 269 S HN 0.968 nan 8.310 nan 0.000 0.469 270 A N 1.754 124.567 122.820 -0.012 0.000 1.858 270 A HA 0.039 4.359 4.320 0.001 0.000 0.216 270 A C 2.139 179.719 177.584 -0.007 0.000 1.190 270 A CA 1.519 53.551 52.037 -0.009 0.000 0.617 270 A CB -0.970 18.022 19.000 -0.014 0.000 0.827 270 A HN 0.578 nan 8.150 nan 0.000 0.443 271 L N -0.620 120.597 121.223 -0.010 0.000 2.261 271 L HA -0.159 4.182 4.340 0.001 0.000 0.216 271 L C 2.112 178.981 176.870 -0.002 0.000 1.114 271 L CA 0.681 55.517 54.840 -0.006 0.000 0.777 271 L CB -0.519 41.535 42.059 -0.009 0.000 0.910 271 L HN 0.368 nan 8.230 nan 0.000 0.440 272 L N -0.625 120.596 121.223 -0.003 0.000 2.492 272 L HA 0.115 4.455 4.340 0.001 0.000 0.223 272 L C 1.499 178.372 176.870 0.005 0.000 1.132 272 L CA 0.633 55.474 54.840 0.002 0.000 0.850 272 L CB -0.266 41.792 42.059 -0.001 0.000 0.966 272 L HN 0.462 nan 8.230 nan 0.000 0.454 273 G N 0.440 109.242 108.800 0.004 0.000 2.131 273 G HA2 -0.253 3.708 3.960 0.001 0.000 0.223 273 G HA3 -0.253 3.708 3.960 0.001 0.000 0.223 273 G C 0.091 174.995 174.900 0.007 0.000 0.990 273 G CA -0.403 44.700 45.100 0.005 0.000 0.671 273 G HN 0.233 nan 8.290 nan 0.000 0.521 274 R N -0.123 120.381 120.500 0.007 0.000 2.438 274 R HA 0.561 4.901 4.340 0.001 0.000 0.287 274 R C 1.209 177.516 176.300 0.012 0.000 1.077 274 R CA -0.404 55.702 56.100 0.010 0.000 1.034 274 R CB 0.495 30.802 30.300 0.012 0.000 0.993 274 R HN 0.362 nan 8.270 nan 0.000 0.459 275 I N 5.965 126.543 120.570 0.014 0.000 2.662 275 I HA 0.036 4.206 4.170 0.001 0.000 0.285 275 I C -1.483 174.648 176.117 0.023 0.000 1.161 275 I CA -1.351 59.959 61.300 0.016 0.000 1.415 275 I CB 0.235 38.244 38.000 0.016 0.000 1.385 275 I HN 0.374 nan 8.210 nan 0.000 0.552 276 P HA 0.063 nan 4.420 nan 0.000 0.269 276 P C -0.334 176.994 177.300 0.047 0.000 1.215 276 P CA -0.200 62.920 63.100 0.034 0.000 0.780 276 P CB 1.259 32.972 31.700 0.021 0.000 0.898 277 S N 0.341 116.084 115.700 0.072 0.000 2.623 277 S HA 0.640 5.111 4.470 0.001 0.000 0.287 277 S C -0.140 174.521 174.600 0.102 0.000 1.123 277 S CA -0.471 57.779 58.200 0.083 0.000 1.016 277 S CB 0.270 63.527 63.200 0.095 0.000 1.233 277 S HN 0.607 nan 8.310 nan 0.000 0.512 278 A N 0.403 123.293 122.820 0.117 0.000 2.498 278 A HA 0.408 4.728 4.320 0.001 0.000 0.239 278 A C 0.914 178.607 177.584 0.182 0.000 1.068 278 A CA 0.354 52.466 52.037 0.124 0.000 0.766 278 A CB -0.773 18.294 19.000 0.112 0.000 1.003 278 A HN 1.627 nan 8.150 nan 0.000 0.497 279 V N 1.084 121.070 119.914 0.120 0.000 3.883 279 V HA -0.311 3.810 4.120 0.001 0.000 0.217 279 V C 1.750 177.823 176.094 -0.036 0.000 0.472 279 V CA 1.593 63.941 62.300 0.080 0.000 0.955 279 V CB -2.598 29.322 31.823 0.160 0.000 1.038 279 V HN 2.902 nan 8.190 nan 0.000 1.215 280 G N -2.506 106.290 108.800 -0.007 0.000 2.184 280 G HA2 -0.363 3.598 3.960 0.001 0.000 0.264 280 G HA3 -0.363 3.598 3.960 0.001 0.000 0.264 280 G C -0.043 174.816 174.900 -0.069 0.000 0.975 280 G CA 0.518 45.583 45.100 -0.059 0.000 0.642 280 G HN 0.889 nan 8.290 nan 0.000 0.536 281 Y N 1.536 121.855 120.300 0.032 0.000 2.330 281 Y HA 0.350 4.900 4.550 0.001 0.000 0.341 281 Y C 1.513 177.418 175.900 0.008 0.000 1.278 281 Y CA -0.001 58.112 58.100 0.022 0.000 1.453 281 Y CB 0.420 38.904 38.460 0.040 0.000 1.342 281 Y HN 0.395 nan 8.280 nan 0.000 0.590 282 Q N 3.212 123.137 119.800 0.210 0.000 2.349 282 Q HA 0.008 4.348 4.340 0.001 0.000 0.287 282 Q C -2.350 173.703 176.000 0.088 0.000 1.044 282 Q CA -1.441 54.420 55.803 0.097 0.000 0.918 282 Q CB 0.685 29.450 28.738 0.046 0.000 1.242 282 Q HN 0.398 nan 8.270 nan 0.000 0.405 283 P HA -0.055 nan 4.420 nan 0.000 0.233 283 P C 0.792 178.115 177.300 0.038 0.000 1.167 283 P CA 1.076 64.206 63.100 0.049 0.000 0.770 283 P CB 0.003 31.726 31.700 0.038 0.000 0.837 284 T N -3.836 110.736 114.554 0.031 0.000 3.163 284 T HA 0.147 4.497 4.350 0.001 0.000 0.252 284 T C 1.531 176.248 174.700 0.029 0.000 1.056 284 T CA -0.313 61.804 62.100 0.027 0.000 0.947 284 T CB -0.972 67.906 68.868 0.018 0.000 1.016 284 T HN -0.051 nan 8.240 nan 0.000 0.554 285 L N 1.013 122.249 121.223 0.022 0.000 2.013 285 L HA -0.097 4.243 4.340 0.001 0.000 0.212 285 L C 2.758 179.655 176.870 0.045 0.000 1.073 285 L CA 2.080 56.921 54.840 0.002 0.000 0.753 285 L CB -0.635 41.388 42.059 -0.060 0.000 0.890 285 L HN 0.407 nan 8.230 nan 0.000 0.432 286 A N -0.992 121.861 122.820 0.056 0.000 1.898 286 A HA -0.157 4.163 4.320 0.001 0.000 0.214 286 A C 2.340 179.989 177.584 0.108 0.000 1.183 286 A CA 1.779 53.873 52.037 0.094 0.000 0.622 286 A CB -1.084 17.964 19.000 0.081 0.000 0.824 286 A HN 0.619 nan 8.150 nan 0.000 0.444 287 T N -1.934 112.669 114.554 0.082 0.000 2.812 287 T HA -0.138 4.213 4.350 0.001 0.000 0.264 287 T C 1.360 176.118 174.700 0.096 0.000 1.042 287 T CA 1.431 63.578 62.100 0.080 0.000 1.140 287 T CB -0.515 68.387 68.868 0.056 0.000 0.870 287 T HN 0.320 nan 8.240 nan 0.000 0.445 288 D N 1.136 121.600 120.400 0.107 0.000 2.106 288 D HA -0.112 4.528 4.640 0.001 0.000 0.191 288 D C 2.000 178.465 176.300 0.275 0.000 0.997 288 D CA 1.313 55.421 54.000 0.179 0.000 0.834 288 D CB -0.496 40.369 40.800 0.109 0.000 0.956 288 D HN 0.384 nan 8.370 nan 0.000 0.448 289 M N 0.410 120.151 119.600 0.235 0.000 2.108 289 M HA -0.111 4.369 4.480 0.001 0.000 0.261 289 M C 2.066 178.306 176.300 -0.101 0.000 1.066 289 M CA 2.099 57.461 55.300 0.103 0.000 1.107 289 M CB -0.266 32.389 32.600 0.092 0.000 1.356 289 M HN 0.060 nan 8.290 nan 0.000 0.406 290 G N -0.580 108.237 108.800 0.028 0.000 2.433 290 G HA2 -0.271 3.689 3.960 0.001 0.000 0.216 290 G HA3 -0.271 3.689 3.960 0.001 0.000 0.216 290 G C 1.406 176.311 174.900 0.007 0.000 1.186 290 G CA 1.583 46.722 45.100 0.065 0.000 0.779 290 G HN 0.596 nan 8.290 nan 0.000 0.543 291 T N -1.594 112.976 114.554 0.028 0.000 2.881 291 T HA -0.035 4.316 4.350 0.001 0.000 0.270 291 T C 2.189 176.872 174.700 -0.027 0.000 1.068 291 T CA 1.517 63.632 62.100 0.024 0.000 1.131 291 T CB -0.107 68.797 68.868 0.060 0.000 0.871 291 T HN 0.149 nan 8.240 nan 0.000 0.479 292 M N 0.360 119.904 119.600 -0.094 0.000 2.216 292 M HA 0.069 4.550 4.480 0.001 0.000 0.264 292 M C 2.184 178.324 176.300 -0.266 0.000 1.080 292 M CA 1.322 56.486 55.300 -0.227 0.000 1.153 292 M CB -0.622 31.693 32.600 -0.476 0.000 1.356 292 M HN 0.149 nan 8.290 nan 0.000 0.432 293 Q N 0.519 120.127 119.800 -0.319 0.000 2.167 293 Q HA -0.103 4.237 4.340 0.001 0.000 0.202 293 Q C 1.678 177.586 176.000 -0.155 0.000 0.970 293 Q CA 1.102 56.708 55.803 -0.329 0.000 0.855 293 Q CB -0.284 28.068 28.738 -0.645 0.000 0.911 293 Q HN 0.558 nan 8.270 nan 0.000 0.438 294 E N 0.372 120.522 120.200 -0.082 0.000 2.418 294 E HA -0.087 4.263 4.350 0.001 0.000 0.197 294 E C 1.653 178.237 176.600 -0.028 0.000 1.026 294 E CA 0.340 56.735 56.400 -0.008 0.000 0.862 294 E CB 0.069 29.790 29.700 0.036 0.000 0.799 294 E HN 0.312 nan 8.360 nan 0.000 0.518 295 R N 0.026 120.489 120.500 -0.061 0.000 2.210 295 R HA 0.179 4.520 4.340 0.001 0.000 0.203 295 R C 0.960 177.215 176.300 -0.076 0.000 1.010 295 R CA 0.171 56.234 56.100 -0.061 0.000 1.008 295 R CB 0.274 30.533 30.300 -0.069 0.000 0.923 295 R HN 0.040 nan 8.270 nan 0.000 0.469 296 I N 1.803 122.312 120.570 -0.102 0.000 2.243 296 I HA 0.052 4.222 4.170 0.001 0.000 0.297 296 I C -0.129 175.938 176.117 -0.083 0.000 1.161 296 I CA 0.290 61.523 61.300 -0.112 0.000 1.298 296 I CB 0.618 38.524 38.000 -0.157 0.000 1.475 296 I HN -0.057 nan 8.210 nan 0.000 0.561 297 T N 2.837 117.351 114.554 -0.066 0.000 2.886 297 T HA 0.217 4.567 4.350 0.001 0.000 0.330 297 T C -0.380 174.293 174.700 -0.044 0.000 1.488 297 T CA -0.408 61.662 62.100 -0.050 0.000 1.054 297 T CB 1.464 70.312 68.868 -0.033 0.000 1.348 297 T HN 0.283 nan 8.240 nan 0.000 0.489 298 T N 3.575 118.103 114.554 -0.043 0.000 2.919 298 T HA 0.560 4.911 4.350 0.001 0.000 0.302 298 T C 0.522 175.198 174.700 -0.040 0.000 1.031 298 T CA -0.078 62.000 62.100 -0.037 0.000 1.127 298 T CB 0.641 69.488 68.868 -0.035 0.000 0.952 298 T HN 0.865 nan 8.240 nan 0.000 0.540 299 T N -0.146 114.386 114.554 -0.037 0.000 2.858 299 T HA 0.469 4.820 4.350 0.001 0.000 0.285 299 T C 0.951 175.625 174.700 -0.043 0.000 1.052 299 T CA -1.095 60.978 62.100 -0.045 0.000 1.009 299 T CB 1.414 70.258 68.868 -0.039 0.000 1.241 299 T HN 0.369 nan 8.240 nan 0.000 0.542 300 K N -0.112 120.259 120.400 -0.050 0.000 2.360 300 K HA -0.012 4.308 4.320 0.001 0.000 0.201 300 K C 1.972 178.551 176.600 -0.034 0.000 1.046 300 K CA 0.960 57.220 56.287 -0.044 0.000 0.940 300 K CB -0.052 32.419 32.500 -0.048 0.000 0.748 300 K HN 0.482 nan 8.250 nan 0.000 0.465 301 K N -0.386 119.994 120.400 -0.033 0.000 2.314 301 K HA 0.034 4.354 4.320 0.001 0.000 0.198 301 K C 0.215 176.800 176.600 -0.025 0.000 1.045 301 K CA 0.429 56.698 56.287 -0.030 0.000 0.988 301 K CB 0.674 33.154 32.500 -0.034 0.000 0.783 301 K HN 0.208 nan 8.250 nan 0.000 0.484 302 G N -0.643 108.145 108.800 -0.021 0.000 2.355 302 G HA2 0.121 4.081 3.960 0.001 0.000 0.296 302 G HA3 0.121 4.081 3.960 0.001 0.000 0.296 302 G C -1.784 173.111 174.900 -0.008 0.000 1.507 302 G CA -0.709 44.385 45.100 -0.010 0.000 0.823 302 G HN -0.074 nan 8.290 nan 0.000 0.569 303 S N -0.449 115.252 115.700 0.002 0.000 2.451 303 S HA 0.757 5.227 4.470 0.001 0.000 0.301 303 S C -0.191 174.410 174.600 0.001 0.000 1.116 303 S CA -0.711 57.487 58.200 -0.003 0.000 1.093 303 S CB 0.422 63.624 63.200 0.003 0.000 1.017 303 S HN 0.525 nan 8.310 nan 0.000 0.482 304 I N 4.419 124.974 120.570 -0.025 0.000 2.382 304 I HA 0.249 4.419 4.170 0.001 0.000 0.286 304 I C -0.217 175.843 176.117 -0.094 0.000 1.002 304 I CA -0.554 60.715 61.300 -0.052 0.000 1.135 304 I CB 2.025 39.989 38.000 -0.059 0.000 1.288 304 I HN 0.493 nan 8.210 nan 0.000 0.448 305 T N 4.377 118.852 114.554 -0.131 0.000 2.727 305 T HA 0.284 4.635 4.350 0.001 0.000 0.298 305 T C 0.221 174.734 174.700 -0.312 0.000 0.942 305 T CA -0.570 61.419 62.100 -0.185 0.000 0.997 305 T CB 0.426 69.194 68.868 -0.167 0.000 0.917 305 T HN 0.671 nan 8.240 nan 0.000 0.487 306 S N 2.137 117.663 115.700 -0.291 0.000 2.472 306 S HA 0.748 5.218 4.470 0.001 0.000 0.303 306 S C -0.519 173.863 174.600 -0.364 0.000 1.099 306 S CA -0.842 57.147 58.200 -0.353 0.000 1.077 306 S CB 1.444 64.492 63.200 -0.252 0.000 1.031 306 S HN 0.393 nan 8.310 nan 0.000 0.487 307 V N 3.057 122.723 119.914 -0.414 0.000 2.443 307 V HA 0.454 4.574 4.120 0.001 0.000 0.293 307 V C -0.700 175.287 176.094 -0.178 0.000 1.021 307 V CA -0.549 61.593 62.300 -0.264 0.000 0.848 307 V CB 1.272 33.028 31.823 -0.110 0.000 0.998 307 V HN 0.969 nan 8.190 nan 0.000 0.424 308 Q N 3.143 122.834 119.800 -0.181 0.000 2.325 308 Q HA 0.747 5.088 4.340 0.001 0.000 0.270 308 Q C -0.252 175.652 176.000 -0.160 0.000 1.020 308 Q CA -0.560 55.135 55.803 -0.180 0.000 0.785 308 Q CB 2.635 31.242 28.738 -0.217 0.000 1.259 308 Q HN 0.877 nan 8.270 nan 0.000 0.452 309 A N 3.517 126.278 122.820 -0.098 0.000 2.401 309 A HA 0.545 4.865 4.320 0.001 0.000 0.259 309 A C -0.365 177.156 177.584 -0.105 0.000 1.103 309 A CA -0.222 51.776 52.037 -0.064 0.000 0.789 309 A CB 0.077 19.097 19.000 0.033 0.000 1.035 309 A HN 0.754 nan 8.150 nan 0.000 0.491 310 I N 2.777 123.234 120.570 -0.188 0.000 2.466 310 I HA 0.148 4.318 4.170 0.001 0.000 0.279 310 I C -0.718 175.336 176.117 -0.105 0.000 1.033 310 I CA -0.404 60.752 61.300 -0.239 0.000 1.123 310 I CB 1.100 38.632 38.000 -0.780 0.000 1.237 310 I HN 0.720 nan 8.210 nan 0.000 0.460 311 Y N 6.826 127.066 120.300 -0.100 0.000 2.511 311 Y HA 0.280 4.830 4.550 0.001 0.000 0.332 311 Y C -0.191 175.456 175.900 -0.422 0.000 1.177 311 Y CA 0.118 58.086 58.100 -0.221 0.000 1.422 311 Y CB 0.790 39.122 38.460 -0.213 0.000 1.271 311 Y HN 0.273 nan 8.280 nan 0.000 0.550 312 V N 9.420 128.808 119.914 -0.876 0.000 2.311 312 V HA 0.269 4.389 4.120 0.001 0.000 0.275 312 V C -2.243 173.355 176.094 -0.826 0.000 1.022 312 V CA -2.146 59.784 62.300 -0.617 0.000 0.830 312 V CB 0.885 32.553 31.823 -0.257 0.000 1.012 312 V HN 0.720 nan 8.190 nan 0.000 0.452 313 P HA 0.156 nan 4.420 nan 0.000 0.262 313 P C 0.611 177.843 177.300 -0.112 0.000 1.199 313 P CA 0.662 63.638 63.100 -0.207 0.000 0.763 313 P CB 0.673 32.403 31.700 0.050 0.000 0.790 314 A N 4.251 127.029 122.820 -0.070 0.000 2.799 314 A HA -0.254 4.066 4.320 0.001 0.000 0.287 314 A C 0.925 178.475 177.584 -0.058 0.000 1.484 314 A CA 1.141 53.162 52.037 -0.028 0.000 0.813 314 A CB -2.571 16.439 19.000 0.017 0.000 1.009 314 A HN 0.607 nan 8.150 nan 0.000 0.545 315 D N -1.901 118.423 120.400 -0.126 0.000 3.059 315 D HA -0.182 4.458 4.640 0.001 0.000 0.220 315 D C -0.223 176.041 176.300 -0.059 0.000 1.169 315 D CA 2.163 56.101 54.000 -0.102 0.000 0.902 315 D CB -1.108 39.655 40.800 -0.062 0.000 1.116 315 D HN 0.978 nan 8.370 nan 0.000 0.417 316 D N 0.155 120.527 120.400 -0.047 0.000 2.443 316 D HA 0.263 4.903 4.640 0.001 0.000 0.221 316 D C 1.352 177.667 176.300 0.024 0.000 1.097 316 D CA -0.415 53.584 54.000 -0.001 0.000 0.865 316 D CB 0.298 41.111 40.800 0.021 0.000 1.034 316 D HN 0.085 nan 8.370 nan 0.000 0.511 317 L N 2.509 123.754 121.223 0.036 0.000 2.362 317 L HA -0.060 4.280 4.340 0.001 0.000 0.219 317 L C 2.248 179.197 176.870 0.132 0.000 1.134 317 L CA 1.291 56.190 54.840 0.099 0.000 0.807 317 L CB -0.287 41.825 42.059 0.088 0.000 0.927 317 L HN 0.507 nan 8.230 nan 0.000 0.447 318 T N -4.540 110.060 114.554 0.076 0.000 3.129 318 T HA -0.067 4.284 4.350 0.001 0.000 0.251 318 T C 0.782 175.541 174.700 0.099 0.000 1.117 318 T CA -0.389 61.754 62.100 0.072 0.000 1.034 318 T CB -0.312 68.576 68.868 0.034 0.000 0.968 318 T HN 0.212 nan 8.240 nan 0.000 0.526 319 D N 2.576 123.047 120.400 0.118 0.000 2.488 319 D HA 0.023 4.663 4.640 0.001 0.000 0.238 319 D C -1.429 174.957 176.300 0.144 0.000 1.138 319 D CA -1.394 52.704 54.000 0.162 0.000 0.873 319 D CB 1.486 42.399 40.800 0.189 0.000 1.183 319 D HN 0.020 nan 8.370 nan 0.000 0.458 320 P HA -0.221 nan 4.420 nan 0.000 0.218 320 P C 0.900 178.147 177.300 -0.089 0.000 1.154 320 P CA 2.106 65.192 63.100 -0.023 0.000 0.872 320 P CB 0.090 31.719 31.700 -0.119 0.000 0.790 321 A N -0.064 122.670 122.820 -0.142 0.000 1.845 321 A HA -0.122 4.198 4.320 0.001 0.000 0.215 321 A C -0.005 177.679 177.584 0.167 0.000 1.195 321 A CA 2.318 54.364 52.037 0.016 0.000 0.616 321 A CB -2.264 16.913 19.000 0.295 0.000 0.832 321 A HN 0.231 nan 8.150 nan 0.000 0.443 322 P HA -0.059 nan 4.420 nan 0.000 0.219 322 P C 1.520 179.016 177.300 0.327 0.000 1.150 322 P CA 1.782 65.043 63.100 0.268 0.000 0.814 322 P CB -0.169 31.698 31.700 0.279 0.000 0.787 323 A N 0.012 123.018 122.820 0.310 0.000 1.933 323 A HA -0.130 4.190 4.320 0.001 0.000 0.218 323 A C 2.219 180.004 177.584 0.335 0.000 1.175 323 A CA 2.257 54.516 52.037 0.369 0.000 0.628 323 A CB -1.831 17.285 19.000 0.193 0.000 0.814 323 A HN 0.206 nan 8.150 nan 0.000 0.444 324 T N -0.563 114.128 114.554 0.228 0.000 3.023 324 T HA -0.038 4.312 4.350 0.001 0.000 0.266 324 T C 1.836 176.705 174.700 0.282 0.000 1.093 324 T CA 1.530 63.751 62.100 0.202 0.000 1.129 324 T CB -0.261 68.691 68.868 0.140 0.000 0.899 324 T HN 0.550 nan 8.240 nan 0.000 0.491 325 T N 1.736 116.461 114.554 0.284 0.000 2.867 325 T HA 0.038 4.388 4.350 0.001 0.000 0.268 325 T C 1.506 176.393 174.700 0.312 0.000 1.057 325 T CA 0.717 62.985 62.100 0.280 0.000 1.136 325 T CB -0.506 68.413 68.868 0.085 0.000 0.874 325 T HN 0.334 nan 8.240 nan 0.000 0.466 326 F N 1.934 122.069 119.950 0.309 0.000 2.120 326 F HA -0.120 4.408 4.527 0.001 0.000 0.300 326 F C 2.574 178.428 175.800 0.090 0.000 1.095 326 F CA 1.049 59.178 58.000 0.215 0.000 1.249 326 F CB -0.377 38.648 39.000 0.043 0.000 0.995 326 F HN 0.143 nan 8.300 nan 0.000 0.480 327 A N -1.750 121.170 122.820 0.166 0.000 2.235 327 A HA -0.077 4.243 4.320 0.001 0.000 0.208 327 A C 1.285 178.762 177.584 -0.179 0.000 1.172 327 A CA 0.678 52.692 52.037 -0.038 0.000 0.786 327 A CB -0.895 18.029 19.000 -0.127 0.000 0.804 327 A HN 0.446 nan 8.150 nan 0.000 0.479 328 H N -0.982 118.143 119.070 0.093 0.000 2.551 328 H HA 0.353 4.909 4.556 0.001 0.000 0.271 328 H C -0.332 175.010 175.328 0.023 0.000 0.984 328 H CA 0.192 56.263 56.048 0.038 0.000 1.164 328 H CB 0.193 29.957 29.762 0.004 0.000 1.437 328 H HN 0.340 nan 8.280 nan 0.000 0.550 329 L N 0.465 121.769 121.223 0.134 0.000 2.342 329 L HA 0.238 4.578 4.340 0.001 0.000 0.271 329 L C 0.722 177.640 176.870 0.081 0.000 1.008 329 L CA -0.610 54.288 54.840 0.096 0.000 0.818 329 L CB 2.211 44.349 42.059 0.131 0.000 1.296 329 L HN -0.110 nan 8.230 nan 0.000 0.427 330 D N 1.247 121.676 120.400 0.048 0.000 2.327 330 D HA 0.169 4.809 4.640 0.001 0.000 0.205 330 D C 0.300 176.647 176.300 0.079 0.000 0.989 330 D CA 0.577 54.608 54.000 0.052 0.000 0.873 330 D CB 0.975 41.791 40.800 0.027 0.000 0.955 330 D HN 0.501 nan 8.370 nan 0.000 0.515 331 A N 0.782 123.649 122.820 0.079 0.000 2.408 331 A HA 0.529 4.849 4.320 0.001 0.000 0.295 331 A C -0.362 177.313 177.584 0.153 0.000 1.040 331 A CA -0.649 51.473 52.037 0.142 0.000 0.707 331 A CB 1.459 20.583 19.000 0.207 0.000 1.235 331 A HN -0.024 nan 8.150 nan 0.000 0.418 332 T N -0.575 114.116 114.554 0.228 0.000 2.829 332 T HA 0.717 5.067 4.350 0.001 0.000 0.280 332 T C -0.406 174.475 174.700 0.302 0.000 0.999 332 T CA -0.482 61.795 62.100 0.295 0.000 0.983 332 T CB 1.373 70.453 68.868 0.354 0.000 0.968 332 T HN 0.469 nan 8.240 nan 0.000 0.446 333 T N 3.210 117.962 114.554 0.330 0.000 2.893 333 T HA 0.448 4.798 4.350 0.001 0.000 0.324 333 T C -0.211 174.668 174.700 0.298 0.000 1.082 333 T CA -0.557 61.723 62.100 0.299 0.000 0.983 333 T CB 0.688 69.758 68.868 0.336 0.000 1.005 333 T HN 0.640 nan 8.240 nan 0.000 0.475 334 V N 5.857 125.906 119.914 0.226 0.000 2.334 334 V HA 0.340 4.461 4.120 0.001 0.000 0.267 334 V C 0.271 176.443 176.094 0.131 0.000 1.040 334 V CA -0.760 61.654 62.300 0.190 0.000 0.866 334 V CB 0.404 32.281 31.823 0.088 0.000 1.019 334 V HN 0.746 nan 8.190 nan 0.000 0.468 335 L N 3.877 125.182 121.223 0.137 0.000 2.371 335 L HA 0.519 4.860 4.340 0.001 0.000 0.272 335 L C 0.542 177.438 176.870 0.043 0.000 1.124 335 L CA 0.242 55.132 54.840 0.083 0.000 0.816 335 L CB 1.399 43.515 42.059 0.094 0.000 1.129 335 L HN 0.648 nan 8.230 nan 0.000 0.448 336 S N 1.973 117.677 115.700 0.006 0.000 2.473 336 S HA 0.307 4.778 4.470 0.001 0.000 0.307 336 S C 0.792 175.369 174.600 -0.038 0.000 1.094 336 S CA -0.794 57.397 58.200 -0.016 0.000 1.070 336 S CB 1.631 64.817 63.200 -0.023 0.000 1.019 336 S HN 0.735 nan 8.310 nan 0.000 0.480 337 R N 3.586 124.067 120.500 -0.032 0.000 2.091 337 R HA -0.106 4.234 4.340 0.001 0.000 0.238 337 R C 2.096 178.366 176.300 -0.049 0.000 1.136 337 R CA 1.978 58.058 56.100 -0.034 0.000 0.959 337 R CB -0.772 29.514 30.300 -0.023 0.000 0.856 337 R HN 0.793 nan 8.270 nan 0.000 0.437 338 A N 0.990 123.783 122.820 -0.045 0.000 1.940 338 A HA -0.145 4.175 4.320 0.001 0.000 0.219 338 A C 2.155 179.699 177.584 -0.066 0.000 1.176 338 A CA 1.492 53.501 52.037 -0.047 0.000 0.631 338 A CB -0.475 18.501 19.000 -0.040 0.000 0.814 338 A HN 0.389 nan 8.150 nan 0.000 0.446 339 I N -0.397 120.126 120.570 -0.079 0.000 2.202 339 I HA -0.256 3.914 4.170 0.001 0.000 0.242 339 I C 2.994 178.987 176.117 -0.208 0.000 1.091 339 I CA 1.004 62.240 61.300 -0.106 0.000 1.368 339 I CB -0.433 37.515 38.000 -0.086 0.000 1.058 339 I HN 0.353 nan 8.210 nan 0.000 0.410 340 A N 0.526 123.185 122.820 -0.270 0.000 1.940 340 A HA -0.243 4.078 4.320 0.001 0.000 0.219 340 A C 2.150 179.563 177.584 -0.284 0.000 1.176 340 A CA 1.798 53.541 52.037 -0.491 0.000 0.631 340 A CB -0.623 18.218 19.000 -0.266 0.000 0.814 340 A HN 0.483 nan 8.150 nan 0.000 0.446 341 E N -0.624 119.503 120.200 -0.121 0.000 2.418 341 E HA 0.020 4.371 4.350 0.001 0.000 0.197 341 E C 1.190 177.766 176.600 -0.041 0.000 1.026 341 E CA 0.322 56.695 56.400 -0.044 0.000 0.862 341 E CB -0.118 29.568 29.700 -0.023 0.000 0.799 341 E HN 0.622 nan 8.360 nan 0.000 0.518 342 L N -0.528 120.651 121.223 -0.073 0.000 2.592 342 L HA 0.170 4.510 4.340 0.001 0.000 0.227 342 L C 1.335 178.170 176.870 -0.059 0.000 1.127 342 L CA 0.287 55.092 54.840 -0.057 0.000 0.884 342 L CB 0.267 42.297 42.059 -0.048 0.000 1.065 342 L HN 0.252 nan 8.230 nan 0.000 0.457 343 G N 0.251 109.019 108.800 -0.052 0.000 2.176 343 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 343 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 343 G C 0.286 175.286 174.900 0.166 0.000 0.979 343 G CA -0.456 44.703 45.100 0.098 0.000 0.641 343 G HN 0.145 nan 8.290 nan 0.000 0.530 344 I N 1.202 121.734 120.570 -0.063 0.000 2.363 344 I HA 0.421 4.591 4.170 0.001 0.000 0.292 344 I C -0.027 175.911 176.117 -0.298 0.000 1.075 344 I CA -0.288 61.008 61.300 -0.007 0.000 1.333 344 I CB -0.462 37.532 38.000 -0.011 0.000 1.415 344 I HN 0.109 nan 8.210 nan 0.000 0.502 345 Y N 7.196 127.500 120.300 0.006 0.000 2.442 345 Y HA 0.384 4.935 4.550 0.001 0.000 0.344 345 Y C -2.086 173.645 175.900 -0.282 0.000 0.976 345 Y CA -2.299 55.714 58.100 -0.144 0.000 1.040 345 Y CB 2.349 40.706 38.460 -0.173 0.000 1.228 345 Y HN 0.421 nan 8.280 nan 0.000 0.451 346 P HA 0.072 nan 4.420 nan 0.000 0.271 346 P C -0.514 176.768 177.300 -0.030 0.000 1.218 346 P CA -0.146 62.887 63.100 -0.112 0.000 0.780 346 P CB 1.084 32.751 31.700 -0.056 0.000 0.901 347 A N 3.503 126.304 122.820 -0.032 0.000 3.117 347 A HA 0.248 4.569 4.320 0.001 0.000 0.255 347 A C 0.402 177.974 177.584 -0.020 0.000 1.583 347 A CA -0.355 51.615 52.037 -0.112 0.000 1.234 347 A CB -1.094 17.782 19.000 -0.207 0.000 1.076 347 A HN 0.362 nan 8.150 nan 0.000 0.653 348 V N 1.284 121.207 119.914 0.015 0.000 2.555 348 V HA 0.053 4.173 4.120 0.001 0.000 0.286 348 V C 0.370 176.479 176.094 0.025 0.000 1.044 348 V CA -0.515 61.813 62.300 0.047 0.000 1.026 348 V CB 1.189 33.053 31.823 0.068 0.000 0.981 348 V HN 0.607 nan 8.190 nan 0.000 0.480 349 D N 7.537 127.955 120.400 0.029 0.000 2.346 349 D HA 0.160 4.801 4.640 0.001 0.000 0.260 349 D C -1.613 174.695 176.300 0.013 0.000 1.252 349 D CA -1.787 52.221 54.000 0.013 0.000 0.895 349 D CB 1.887 42.691 40.800 0.008 0.000 1.097 349 D HN 0.272 nan 8.370 nan 0.000 0.489 350 P HA 0.034 nan 4.420 nan 0.000 0.233 350 P C 0.991 178.279 177.300 -0.020 0.000 1.167 350 P CA 0.537 63.628 63.100 -0.014 0.000 0.770 350 P CB 0.345 32.031 31.700 -0.024 0.000 0.837 351 L N -1.538 119.675 121.223 -0.017 0.000 2.766 351 L HA 0.276 4.617 4.340 0.001 0.000 0.242 351 L C 1.063 177.914 176.870 -0.032 0.000 1.136 351 L CA 0.372 55.196 54.840 -0.026 0.000 0.933 351 L CB 0.172 42.214 42.059 -0.028 0.000 1.241 351 L HN -0.151 nan 8.230 nan 0.000 0.522 352 D N -0.978 119.411 120.400 -0.019 0.000 2.520 352 D HA 0.107 4.747 4.640 0.001 0.000 0.223 352 D C 0.143 176.450 176.300 0.012 0.000 1.186 352 D CA 0.275 54.258 54.000 -0.028 0.000 0.821 352 D CB 0.857 41.638 40.800 -0.032 0.000 1.072 352 D HN -0.102 nan 8.370 nan 0.000 0.518 353 S N -0.047 115.675 115.700 0.035 0.000 2.462 353 S HA 0.636 5.106 4.470 0.001 0.000 0.294 353 S C 0.040 174.680 174.600 0.066 0.000 1.144 353 S CA -0.558 57.691 58.200 0.082 0.000 1.088 353 S CB 1.703 64.960 63.200 0.097 0.000 1.009 353 S HN 0.283 nan 8.310 nan 0.000 0.484 354 T N -0.654 113.957 114.554 0.096 0.000 2.883 354 T HA 0.811 5.161 4.350 0.001 0.000 0.296 354 T C -0.707 174.059 174.700 0.109 0.000 1.117 354 T CA -0.847 61.299 62.100 0.076 0.000 1.006 354 T CB 1.876 70.774 68.868 0.050 0.000 1.191 354 T HN 0.423 nan 8.240 nan 0.000 0.508 355 S N -0.975 114.777 115.700 0.087 0.000 2.536 355 S HA 0.427 4.898 4.470 0.001 0.000 0.271 355 S C 0.481 175.123 174.600 0.070 0.000 1.134 355 S CA -0.851 57.407 58.200 0.097 0.000 0.897 355 S CB 1.687 64.950 63.200 0.104 0.000 1.094 355 S HN 0.770 nan 8.310 nan 0.000 0.473 356 R N 2.054 122.594 120.500 0.066 0.000 2.280 356 R HA 0.122 4.462 4.340 0.001 0.000 0.207 356 R C 1.422 177.744 176.300 0.036 0.000 1.043 356 R CA 1.405 57.533 56.100 0.047 0.000 1.006 356 R CB -0.421 29.904 30.300 0.042 0.000 0.885 356 R HN 0.781 nan 8.270 nan 0.000 0.467 357 I N -3.189 117.405 120.570 0.039 0.000 3.956 357 I HA 0.223 4.394 4.170 0.001 0.000 0.333 357 I C 0.506 176.627 176.117 0.007 0.000 1.302 357 I CA -0.443 60.870 61.300 0.022 0.000 1.122 357 I CB 0.248 38.264 38.000 0.027 0.000 1.013 357 I HN -0.111 nan 8.210 nan 0.000 0.405 358 M N 3.261 122.876 119.600 0.026 0.000 3.070 358 M HA 0.272 4.753 4.480 0.001 0.000 0.275 358 M C -0.947 175.429 176.300 0.127 0.000 1.510 358 M CA 0.164 55.493 55.300 0.050 0.000 1.608 358 M CB -1.272 31.360 32.600 0.052 0.000 1.266 358 M HN 0.283 nan 8.290 nan 0.000 0.514 359 D N 5.302 125.729 120.400 0.045 0.000 2.966 359 D HA 0.342 4.983 4.640 0.001 0.000 0.222 359 D C -2.442 173.743 176.300 -0.191 0.000 1.292 359 D CA -1.285 52.647 54.000 -0.113 0.000 0.907 359 D CB 2.286 43.039 40.800 -0.077 0.000 1.621 359 D HN 0.173 nan 8.370 nan 0.000 0.557 360 P HA -0.105 nan 4.420 nan 0.000 0.221 360 P C 0.655 177.880 177.300 -0.125 0.000 1.145 360 P CA 0.759 63.693 63.100 -0.276 0.000 0.795 360 P CB 0.488 31.935 31.700 -0.420 0.000 0.775 361 N N -0.757 117.868 118.700 -0.125 0.000 2.463 361 N HA 0.064 4.804 4.740 0.001 0.000 0.181 361 N C 1.744 177.231 175.510 -0.038 0.000 1.078 361 N CA 0.601 53.610 53.050 -0.068 0.000 0.902 361 N CB 0.064 38.511 38.487 -0.067 0.000 0.970 361 N HN 0.326 nan 8.380 nan 0.000 0.451 362 I N -0.360 120.186 120.570 -0.039 0.000 3.136 362 I HA -0.050 4.120 4.170 0.001 0.000 0.262 362 I C 1.830 177.950 176.117 0.004 0.000 1.132 362 I CA 0.337 61.629 61.300 -0.015 0.000 1.450 362 I CB 0.087 38.078 38.000 -0.016 0.000 1.315 362 I HN -0.130 nan 8.210 nan 0.000 0.460 363 V N -0.980 118.928 119.914 -0.010 0.000 3.608 363 V HA 0.533 4.654 4.120 0.001 0.000 0.269 363 V C 0.859 177.012 176.094 0.098 0.000 1.245 363 V CA 0.184 62.498 62.300 0.023 0.000 1.138 363 V CB -1.053 30.655 31.823 -0.190 0.000 0.841 363 V HN 0.506 nan 8.190 nan 0.000 0.451 364 G N 0.973 109.810 108.800 0.061 0.000 2.692 364 G HA2 -0.120 3.840 3.960 0.001 0.000 0.686 364 G HA3 -0.120 3.840 3.960 0.001 0.000 0.686 364 G C 0.442 175.410 174.900 0.114 0.000 1.243 364 G CA 0.303 45.451 45.100 0.080 0.000 0.782 364 G HN 1.291 nan 8.290 nan 0.000 0.625 365 S N -0.242 115.513 115.700 0.092 0.000 2.382 365 S HA -0.121 4.350 4.470 0.001 0.000 0.228 365 S C 1.779 176.487 174.600 0.180 0.000 1.027 365 S CA 1.943 60.219 58.200 0.127 0.000 0.991 365 S CB -0.189 63.058 63.200 0.078 0.000 0.823 365 S HN 0.912 nan 8.310 nan 0.000 0.469 366 E N 0.915 121.205 120.200 0.149 0.000 2.031 366 E HA -0.270 4.080 4.350 0.001 0.000 0.193 366 E C 2.088 178.806 176.600 0.196 0.000 0.994 366 E CA 1.340 57.827 56.400 0.144 0.000 0.800 366 E CB -0.391 29.374 29.700 0.108 0.000 0.752 366 E HN 0.857 nan 8.360 nan 0.000 0.447 367 H N -1.336 117.793 119.070 0.099 0.000 2.289 367 H HA -0.241 4.315 4.556 0.001 0.000 0.296 367 H C 2.212 177.596 175.328 0.093 0.000 1.091 367 H CA 1.841 57.944 56.048 0.091 0.000 1.274 367 H CB -0.209 29.607 29.762 0.090 0.000 1.364 367 H HN 0.271 nan 8.280 nan 0.000 0.490 368 Y N 1.603 121.976 120.300 0.122 0.000 2.165 368 Y HA -0.269 4.281 4.550 0.001 0.000 0.286 368 Y C 2.010 177.940 175.900 0.051 0.000 1.155 368 Y CA 2.030 60.142 58.100 0.019 0.000 1.164 368 Y CB -0.286 38.164 38.460 -0.017 0.000 0.978 368 Y HN 0.363 nan 8.280 nan 0.000 0.513 369 D N -0.698 119.768 120.400 0.111 0.000 2.117 369 D HA -0.161 4.480 4.640 0.001 0.000 0.198 369 D C 2.432 178.721 176.300 -0.019 0.000 0.982 369 D CA 1.622 55.639 54.000 0.027 0.000 0.828 369 D CB -0.507 40.356 40.800 0.105 0.000 0.967 369 D HN 0.313 nan 8.370 nan 0.000 0.464 370 V N 1.706 121.644 119.914 0.040 0.000 2.287 370 V HA -0.260 3.860 4.120 0.001 0.000 0.248 370 V C 2.576 178.660 176.094 -0.016 0.000 1.053 370 V CA 1.894 64.221 62.300 0.045 0.000 1.027 370 V CB -0.911 30.972 31.823 0.099 0.000 0.646 370 V HN 0.174 nan 8.190 nan 0.000 0.447 371 A N 0.154 122.956 122.820 -0.030 0.000 1.865 371 A HA -0.242 4.078 4.320 0.001 0.000 0.217 371 A C 2.303 179.782 177.584 -0.175 0.000 1.191 371 A CA 1.919 53.894 52.037 -0.102 0.000 0.623 371 A CB -0.544 18.413 19.000 -0.072 0.000 0.826 371 A HN 0.408 nan 8.150 nan 0.000 0.444 372 R N -0.428 119.903 120.500 -0.281 0.000 2.120 372 R HA -0.094 4.247 4.340 0.001 0.000 0.234 372 R C 2.277 178.497 176.300 -0.133 0.000 1.123 372 R CA 1.205 57.148 56.100 -0.262 0.000 0.975 372 R CB -1.734 28.325 30.300 -0.401 0.000 0.866 372 R HN 0.561 nan 8.270 nan 0.000 0.446 373 G N 0.002 108.747 108.800 -0.093 0.000 2.408 373 G HA2 -0.163 3.798 3.960 0.001 0.000 0.217 373 G HA3 -0.163 3.798 3.960 0.001 0.000 0.217 373 G C 1.547 176.431 174.900 -0.027 0.000 1.150 373 G CA 0.583 45.660 45.100 -0.038 0.000 0.776 373 G HN 0.186 nan 8.290 nan 0.000 0.542 374 V N 0.494 120.381 119.914 -0.044 0.000 2.358 374 V HA -0.203 3.917 4.120 0.001 0.000 0.246 374 V C 2.883 178.949 176.094 -0.047 0.000 1.047 374 V CA 2.110 64.383 62.300 -0.045 0.000 1.035 374 V CB -0.433 31.306 31.823 -0.140 0.000 0.658 374 V HN 0.432 nan 8.190 nan 0.000 0.452 375 Q N -0.359 119.400 119.800 -0.069 0.000 2.172 375 Q HA -0.206 4.134 4.340 0.001 0.000 0.200 375 Q C 2.300 178.284 176.000 -0.028 0.000 0.964 375 Q CA 1.387 57.158 55.803 -0.052 0.000 0.855 375 Q CB -0.167 28.528 28.738 -0.072 0.000 0.918 375 Q HN 0.576 nan 8.270 nan 0.000 0.444 376 K N 1.193 121.575 120.400 -0.030 0.000 2.002 376 K HA -0.149 4.171 4.320 0.001 0.000 0.209 376 K C 1.981 178.587 176.600 0.009 0.000 1.048 376 K CA 1.082 57.361 56.287 -0.013 0.000 0.930 376 K CB -0.127 32.363 32.500 -0.016 0.000 0.714 376 K HN 0.160 nan 8.250 nan 0.000 0.438 377 I N 1.091 121.668 120.570 0.012 0.000 2.286 377 I HA -0.278 3.892 4.170 0.001 0.000 0.248 377 I C 1.933 178.091 176.117 0.070 0.000 1.115 377 I CA 0.996 62.314 61.300 0.029 0.000 1.392 377 I CB 0.061 38.068 38.000 0.013 0.000 1.065 377 I HN 0.257 nan 8.210 nan 0.000 0.418 378 L N -0.072 121.190 121.223 0.065 0.000 2.046 378 L HA -0.258 4.083 4.340 0.001 0.000 0.208 378 L C 2.583 179.512 176.870 0.097 0.000 1.077 378 L CA 1.260 56.167 54.840 0.112 0.000 0.747 378 L CB -0.707 41.392 42.059 0.066 0.000 0.896 378 L HN 0.300 nan 8.230 nan 0.000 0.432 379 Q N 0.372 120.197 119.800 0.042 0.000 2.084 379 Q HA -0.213 4.127 4.340 0.001 0.000 0.202 379 Q C 1.757 177.774 176.000 0.028 0.000 0.978 379 Q CA 1.793 57.605 55.803 0.016 0.000 0.844 379 Q CB -0.136 28.600 28.738 -0.003 0.000 0.898 379 Q HN 0.365 nan 8.270 nan 0.000 0.426 380 D N -1.015 119.415 120.400 0.050 0.000 2.117 380 D HA -0.167 4.473 4.640 0.001 0.000 0.197 380 D C 1.559 177.921 176.300 0.105 0.000 0.987 380 D CA 1.093 55.128 54.000 0.058 0.000 0.829 380 D CB -0.392 40.439 40.800 0.052 0.000 0.961 380 D HN 0.340 nan 8.370 nan 0.000 0.460 381 Y N 1.908 122.200 120.300 -0.013 0.000 2.145 381 Y HA -0.180 4.370 4.550 0.001 0.000 0.286 381 Y C 2.223 178.115 175.900 -0.014 0.000 1.145 381 Y CA 1.545 59.638 58.100 -0.013 0.000 1.148 381 Y CB -0.327 38.126 38.460 -0.012 0.000 0.981 381 Y HN -0.178 nan 8.280 nan 0.000 0.507 382 K N -0.384 119.925 120.400 -0.153 0.000 2.032 382 K HA -0.169 4.151 4.320 0.001 0.000 0.209 382 K C 2.239 178.739 176.600 -0.167 0.000 1.048 382 K CA 1.834 57.973 56.287 -0.245 0.000 0.927 382 K CB -0.297 32.128 32.500 -0.125 0.000 0.712 382 K HN 0.284 nan 8.250 nan 0.000 0.441 383 S N 0.856 116.507 115.700 -0.081 0.000 2.419 383 S HA -0.094 4.376 4.470 0.001 0.000 0.235 383 S C 1.542 176.112 174.600 -0.050 0.000 1.019 383 S CA 0.956 59.124 58.200 -0.053 0.000 0.982 383 S CB -0.108 63.078 63.200 -0.023 0.000 0.789 383 S HN 0.274 nan 8.310 nan 0.000 0.490 384 L N 0.930 122.125 121.223 -0.046 0.000 2.599 384 L HA 0.097 4.437 4.340 0.001 0.000 0.230 384 L C 2.178 179.015 176.870 -0.054 0.000 1.141 384 L CA 0.385 55.215 54.840 -0.017 0.000 0.877 384 L CB -0.220 41.874 42.059 0.058 0.000 1.009 384 L HN 0.302 nan 8.230 nan 0.000 0.447 385 Q N -0.620 119.104 119.800 -0.127 0.000 2.398 385 Q HA -0.106 4.234 4.340 0.001 0.000 0.204 385 Q C 1.086 177.034 176.000 -0.087 0.000 0.932 385 Q CA 0.560 56.272 55.803 -0.151 0.000 0.916 385 Q CB 0.295 28.871 28.738 -0.270 0.000 1.024 385 Q HN 0.397 nan 8.270 nan 0.000 0.504 386 D N 0.781 121.142 120.400 -0.066 0.000 2.149 386 D HA -0.075 4.566 4.640 0.001 0.000 0.201 386 D C 1.770 178.053 176.300 -0.029 0.000 0.972 386 D CA 0.836 54.810 54.000 -0.044 0.000 0.835 386 D CB 0.061 40.839 40.800 -0.038 0.000 0.966 386 D HN 0.224 nan 8.370 nan 0.000 0.476 387 I N 0.325 120.881 120.570 -0.023 0.000 2.142 387 I HA -0.215 3.955 4.170 0.001 0.000 0.240 387 I C 2.324 178.439 176.117 -0.004 0.000 1.078 387 I CA 0.846 62.141 61.300 -0.010 0.000 1.343 387 I CB -0.372 37.626 38.000 -0.003 0.000 1.046 387 I HN -0.075 nan 8.210 nan 0.000 0.405 388 I N 1.295 121.863 120.570 -0.002 0.000 2.264 388 I HA -0.309 3.861 4.170 0.001 0.000 0.248 388 I C 2.879 178.996 176.117 0.001 0.000 1.111 388 I CA 1.399 62.705 61.300 0.010 0.000 1.382 388 I CB -0.471 37.546 38.000 0.028 0.000 1.060 388 I HN 0.233 nan 8.210 nan 0.000 0.418 389 A N 0.999 123.811 122.820 -0.013 0.000 1.883 389 A HA -0.196 4.124 4.320 0.001 0.000 0.217 389 A C 2.252 179.831 177.584 -0.008 0.000 1.186 389 A CA 1.678 53.706 52.037 -0.015 0.000 0.624 389 A CB -0.550 18.434 19.000 -0.025 0.000 0.822 389 A HN 0.320 nan 8.150 nan 0.000 0.444 390 I N -0.938 119.627 120.570 -0.008 0.000 2.270 390 I HA -0.051 4.119 4.170 0.001 0.000 0.239 390 I C 2.277 178.393 176.117 -0.001 0.000 1.080 390 I CA 1.151 62.448 61.300 -0.005 0.000 1.383 390 I CB -1.149 36.848 38.000 -0.006 0.000 1.097 390 I HN 0.252 nan 8.210 nan 0.000 0.420 391 L N -0.233 120.991 121.223 0.001 0.000 2.513 391 L HA 0.298 4.639 4.340 0.001 0.000 0.222 391 L C 1.134 178.009 176.870 0.008 0.000 1.096 391 L CA 0.378 55.220 54.840 0.004 0.000 0.857 391 L CB -0.270 41.792 42.059 0.004 0.000 1.026 391 L HN 0.453 nan 8.230 nan 0.000 0.469 392 G N -0.240 108.567 108.800 0.011 0.000 2.725 392 G HA2 -0.271 3.689 3.960 0.001 0.000 0.220 392 G HA3 -0.271 3.689 3.960 0.001 0.000 0.220 392 G C 0.378 175.291 174.900 0.022 0.000 1.357 392 G CA -0.154 44.956 45.100 0.017 0.000 0.866 392 G HN -0.131 nan 8.290 nan 0.000 0.548 393 M N -0.010 119.605 119.600 0.025 0.000 2.117 393 M HA -0.027 4.454 4.480 0.001 0.000 0.262 393 M C 1.967 178.279 176.300 0.020 0.000 1.065 393 M CA 2.126 57.442 55.300 0.028 0.000 1.114 393 M CB -1.221 31.395 32.600 0.026 0.000 1.361 393 M HN 0.601 nan 8.290 nan 0.000 0.408 394 D N 0.480 120.889 120.400 0.016 0.000 2.351 394 D HA -0.115 4.525 4.640 0.001 0.000 0.216 394 D C 1.359 177.666 176.300 0.011 0.000 0.968 394 D CA 0.779 54.787 54.000 0.012 0.000 0.899 394 D CB -0.044 40.762 40.800 0.010 0.000 0.907 394 D HN 0.357 nan 8.370 nan 0.000 0.514 395 E N 0.010 120.218 120.200 0.012 0.000 2.463 395 E HA 0.138 4.488 4.350 0.001 0.000 0.193 395 E C 0.614 177.221 176.600 0.012 0.000 1.041 395 E CA -0.129 56.278 56.400 0.010 0.000 0.879 395 E CB 0.575 30.280 29.700 0.009 0.000 0.997 395 E HN 0.341 nan 8.360 nan 0.000 0.478 396 L N 1.386 122.618 121.223 0.016 0.000 2.379 396 L HA 0.192 4.532 4.340 0.001 0.000 0.269 396 L C 0.965 177.844 176.870 0.014 0.000 1.084 396 L CA -0.625 54.225 54.840 0.018 0.000 0.802 396 L CB 1.080 43.154 42.059 0.025 0.000 1.175 396 L HN -0.057 nan 8.230 nan 0.000 0.448 397 S N 0.031 115.739 115.700 0.013 0.000 2.589 397 S HA 0.012 4.482 4.470 0.001 0.000 0.265 397 S C 0.784 175.390 174.600 0.010 0.000 1.342 397 S CA -0.462 57.744 58.200 0.010 0.000 1.005 397 S CB 1.209 64.414 63.200 0.009 0.000 0.909 397 S HN 0.668 nan 8.310 nan 0.000 0.555 398 E N 0.711 120.915 120.200 0.007 0.000 2.153 398 E HA -0.106 4.245 4.350 0.001 0.000 0.194 398 E C 1.752 178.354 176.600 0.005 0.000 0.988 398 E CA 1.496 57.899 56.400 0.006 0.000 0.811 398 E CB -0.310 29.393 29.700 0.005 0.000 0.746 398 E HN 0.800 nan 8.360 nan 0.000 0.466 399 E N 0.190 120.393 120.200 0.005 0.000 2.077 399 E HA -0.164 4.187 4.350 0.001 0.000 0.193 399 E C 1.538 178.142 176.600 0.007 0.000 0.989 399 E CA 1.475 57.878 56.400 0.005 0.000 0.800 399 E CB -0.063 29.640 29.700 0.006 0.000 0.746 399 E HN 0.261 nan 8.360 nan 0.000 0.452 400 D N -0.081 120.327 120.400 0.013 0.000 2.183 400 D HA -0.068 4.573 4.640 0.001 0.000 0.203 400 D C 1.539 177.851 176.300 0.020 0.000 0.969 400 D CA 0.782 54.795 54.000 0.022 0.000 0.842 400 D CB -0.015 40.802 40.800 0.029 0.000 0.957 400 D HN 0.092 nan 8.370 nan 0.000 0.484 401 K N 0.091 120.498 120.400 0.012 0.000 2.097 401 K HA -0.120 4.200 4.320 0.001 0.000 0.206 401 K C 1.936 178.526 176.600 -0.017 0.000 1.049 401 K CA 0.451 56.740 56.287 0.003 0.000 0.933 401 K CB -0.057 32.445 32.500 0.004 0.000 0.717 401 K HN 0.042 nan 8.250 nan 0.000 0.442 402 L N 1.177 122.391 121.223 -0.014 0.000 2.072 402 L HA -0.151 4.190 4.340 0.001 0.000 0.205 402 L C 2.455 179.299 176.870 -0.044 0.000 1.079 402 L CA 2.074 56.899 54.840 -0.026 0.000 0.752 402 L CB -0.925 41.126 42.059 -0.014 0.000 0.906 402 L HN 0.317 nan 8.230 nan 0.000 0.436 403 T N -4.040 110.497 114.554 -0.029 0.000 2.746 403 T HA -0.154 4.196 4.350 0.001 0.000 0.267 403 T C 1.880 176.522 174.700 -0.097 0.000 1.039 403 T CA 1.575 63.655 62.100 -0.034 0.000 1.142 403 T CB -1.097 67.777 68.868 0.011 0.000 0.866 403 T HN 0.118 nan 8.240 nan 0.000 0.444 404 V N 2.654 122.514 119.914 -0.091 0.000 2.295 404 V HA -0.175 3.946 4.120 0.001 0.000 0.246 404 V C 3.253 179.144 176.094 -0.338 0.000 1.049 404 V CA 2.226 64.382 62.300 -0.241 0.000 1.024 404 V CB -1.127 30.667 31.823 -0.048 0.000 0.648 404 V HN 0.810 nan 8.190 nan 0.000 0.447 405 S N 0.098 115.690 115.700 -0.181 0.000 2.383 405 S HA -0.195 4.275 4.470 0.001 0.000 0.227 405 S C 2.115 176.601 174.600 -0.191 0.000 1.026 405 S CA 1.308 59.412 58.200 -0.160 0.000 0.981 405 S CB -0.388 62.761 63.200 -0.084 0.000 0.818 405 S HN 0.552 nan 8.310 nan 0.000 0.472 406 R N 1.024 121.422 120.500 -0.171 0.000 2.075 406 R HA 0.153 4.493 4.340 0.001 0.000 0.232 406 R C 2.836 179.019 176.300 -0.195 0.000 1.126 406 R CA 1.184 57.182 56.100 -0.171 0.000 0.963 406 R CB -0.798 29.439 30.300 -0.104 0.000 0.858 406 R HN 0.568 nan 8.270 nan 0.000 0.435 407 A N 1.299 123.979 122.820 -0.233 0.000 1.908 407 A HA -0.214 4.107 4.320 0.001 0.000 0.218 407 A C 2.075 179.487 177.584 -0.286 0.000 1.181 407 A CA 1.448 53.333 52.037 -0.254 0.000 0.627 407 A CB -0.417 18.346 19.000 -0.395 0.000 0.818 407 A HN 0.240 nan 8.150 nan 0.000 0.445 408 R N -0.510 119.747 120.500 -0.406 0.000 2.115 408 R HA -0.081 4.260 4.340 0.001 0.000 0.230 408 R C 2.153 178.361 176.300 -0.152 0.000 1.111 408 R CA 1.566 57.510 56.100 -0.261 0.000 0.976 408 R CB -0.214 29.934 30.300 -0.253 0.000 0.870 408 R HN 0.526 nan 8.270 nan 0.000 0.445 409 K N 0.303 120.557 120.400 -0.244 0.000 2.103 409 K HA -0.048 4.273 4.320 0.001 0.000 0.204 409 K C 1.993 178.436 176.600 -0.260 0.000 1.052 409 K CA 1.036 57.068 56.287 -0.426 0.000 0.945 409 K CB -0.020 31.979 32.500 -0.835 0.000 0.722 409 K HN 0.105 nan 8.250 nan 0.000 0.443 410 I N 1.459 121.973 120.570 -0.094 0.000 2.202 410 I HA -0.308 3.862 4.170 0.001 0.000 0.242 410 I C 2.448 178.723 176.117 0.263 0.000 1.091 410 I CA 1.351 62.761 61.300 0.184 0.000 1.368 410 I CB -0.190 37.922 38.000 0.187 0.000 1.058 410 I HN 0.200 nan 8.210 nan 0.000 0.410 411 Q N 0.272 120.152 119.800 0.133 0.000 2.077 411 Q HA -0.283 4.057 4.340 0.001 0.000 0.206 411 Q C 2.402 178.514 176.000 0.186 0.000 0.989 411 Q CA 1.855 57.743 55.803 0.141 0.000 0.853 411 Q CB -0.212 28.589 28.738 0.106 0.000 0.907 411 Q HN 0.433 nan 8.270 nan 0.000 0.418 412 R N -0.553 120.062 120.500 0.191 0.000 2.075 412 R HA -0.111 4.229 4.340 0.001 0.000 0.232 412 R C 1.935 178.442 176.300 0.345 0.000 1.126 412 R CA 1.104 57.378 56.100 0.289 0.000 0.963 412 R CB -0.243 30.234 30.300 0.295 0.000 0.858 412 R HN 0.173 nan 8.270 nan 0.000 0.435 413 F N 0.776 120.823 119.950 0.162 0.000 2.546 413 F HA 0.011 4.539 4.527 0.001 0.000 0.298 413 F C 1.336 177.286 175.800 0.250 0.000 1.120 413 F CA 0.867 58.930 58.000 0.104 0.000 1.456 413 F CB 0.118 39.019 39.000 -0.164 0.000 1.088 413 F HN -0.060 nan 8.300 nan 0.000 0.572 414 L N -0.581 120.836 121.223 0.324 0.000 2.418 414 L HA 0.009 4.350 4.340 0.001 0.000 0.218 414 L C 1.466 178.381 176.870 0.075 0.000 1.125 414 L CA 0.281 55.257 54.840 0.226 0.000 0.835 414 L CB -0.727 41.434 42.059 0.169 0.000 0.953 414 L HN 0.088 nan 8.230 nan 0.000 0.454 415 S N -0.338 115.403 115.700 0.068 0.000 2.593 415 S HA 0.354 4.824 4.470 0.001 0.000 0.269 415 S C -0.327 174.225 174.600 -0.081 0.000 1.334 415 S CA -0.465 57.736 58.200 0.002 0.000 1.015 415 S CB 1.787 65.010 63.200 0.040 0.000 0.912 415 S HN 0.271 nan 8.310 nan 0.000 0.541 416 Q N 0.444 120.183 119.800 -0.102 0.000 2.352 416 Q HA 0.418 4.758 4.340 0.001 0.000 0.270 416 Q C -3.149 172.833 176.000 -0.030 0.000 1.006 416 Q CA -1.876 53.901 55.803 -0.045 0.000 0.880 416 Q CB 2.296 31.106 28.738 0.120 0.000 1.392 416 Q HN 0.507 nan 8.270 nan 0.000 0.401 417 P HA 0.200 nan 4.420 nan 0.000 0.282 417 P C -1.140 176.346 177.300 0.309 0.000 1.274 417 P CA 0.313 63.464 63.100 0.085 0.000 0.770 417 P CB 0.109 31.836 31.700 0.045 0.000 0.867 418 F N 1.750 121.716 119.950 0.028 0.000 2.404 418 F HA 0.184 4.712 4.527 0.001 0.000 0.345 418 F C 2.270 178.087 175.800 0.028 0.000 1.110 418 F CA -0.643 57.376 58.000 0.031 0.000 1.130 418 F CB 1.565 40.594 39.000 0.048 0.000 1.129 418 F HN 0.387 nan 8.300 nan 0.000 0.500 419 Q N 1.936 121.820 119.800 0.141 0.000 2.133 419 Q HA -0.188 4.153 4.340 0.001 0.000 0.208 419 Q C 1.649 177.699 176.000 0.082 0.000 0.991 419 Q CA 1.857 57.702 55.803 0.071 0.000 0.867 419 Q CB -0.036 28.708 28.738 0.009 0.000 0.911 419 Q HN 0.630 nan 8.270 nan 0.000 0.417 420 V N -0.011 119.971 119.914 0.114 0.000 2.970 420 V HA -0.089 4.031 4.120 0.001 0.000 0.260 420 V C 1.406 177.605 176.094 0.175 0.000 1.100 420 V CA 1.386 63.759 62.300 0.122 0.000 1.122 420 V CB -0.033 31.861 31.823 0.117 0.000 0.721 420 V HN 0.468 nan 8.190 nan 0.000 0.483 421 A N -1.264 121.687 122.820 0.218 0.000 2.564 421 A HA 0.246 4.566 4.320 0.001 0.000 0.279 421 A C 1.587 179.240 177.584 0.115 0.000 1.232 421 A CA -0.184 51.995 52.037 0.238 0.000 0.950 421 A CB -0.116 19.013 19.000 0.215 0.000 1.138 421 A HN 0.480 nan 8.150 nan 0.000 0.526 422 E N -0.212 120.012 120.200 0.039 0.000 2.171 422 E HA -0.166 4.184 4.350 0.001 0.000 0.197 422 E C 1.565 178.094 176.600 -0.118 0.000 0.997 422 E CA 1.496 57.887 56.400 -0.015 0.000 0.810 422 E CB -0.137 29.552 29.700 -0.017 0.000 0.738 422 E HN 0.457 nan 8.360 nan 0.000 0.467 423 V N 0.250 120.001 119.914 -0.272 0.000 2.626 423 V HA -0.202 3.918 4.120 0.001 0.000 0.252 423 V C 1.646 177.442 176.094 -0.497 0.000 1.067 423 V CA 1.555 63.578 62.300 -0.462 0.000 1.081 423 V CB -0.463 30.938 31.823 -0.702 0.000 0.686 423 V HN 0.224 nan 8.190 nan 0.000 0.468 424 F N 0.655 120.574 119.950 -0.053 0.000 2.446 424 F HA -0.030 4.497 4.527 0.001 0.000 0.292 424 F C 2.655 178.417 175.800 -0.063 0.000 1.096 424 F CA 1.148 59.103 58.000 -0.075 0.000 1.438 424 F CB -0.722 38.197 39.000 -0.134 0.000 1.107 424 F HN 0.222 nan 8.300 nan 0.000 0.546 425 T N -3.117 111.491 114.554 0.090 0.000 2.978 425 T HA 0.248 4.598 4.350 0.001 0.000 0.262 425 T C 1.947 176.613 174.700 -0.055 0.000 1.063 425 T CA 0.728 62.884 62.100 0.092 0.000 1.140 425 T CB -0.385 68.575 68.868 0.153 0.000 0.886 425 T HN 0.415 nan 8.240 nan 0.000 0.470 426 G N 1.286 110.012 108.800 -0.123 0.000 2.153 426 G HA2 -0.225 3.736 3.960 0.001 0.000 0.252 426 G HA3 -0.225 3.736 3.960 0.001 0.000 0.252 426 G C -0.159 174.504 174.900 -0.395 0.000 0.994 426 G CA 0.485 45.435 45.100 -0.249 0.000 0.698 426 G HN 0.855 nan 8.290 nan 0.000 0.521 427 H N -1.721 117.343 119.070 -0.010 0.000 2.572 427 H HA 0.596 5.152 4.556 0.001 0.000 0.359 427 H C 0.131 175.456 175.328 -0.005 0.000 1.134 427 H CA -1.042 54.999 56.048 -0.012 0.000 1.187 427 H CB 1.762 31.509 29.762 -0.025 0.000 1.597 427 H HN 0.245 nan 8.280 nan 0.000 0.524 428 L N 2.104 123.399 121.223 0.120 0.000 2.499 428 L HA 0.236 4.577 4.340 0.001 0.000 0.273 428 L C 0.856 177.773 176.870 0.079 0.000 1.195 428 L CA 0.345 55.226 54.840 0.070 0.000 0.882 428 L CB 0.168 42.254 42.059 0.045 0.000 1.133 428 L HN 0.851 nan 8.230 nan 0.000 0.483 429 G N 4.264 113.107 108.800 0.071 0.000 2.484 429 G HA2 0.236 4.196 3.960 0.001 0.000 0.235 429 G HA3 0.236 4.196 3.960 0.001 0.000 0.235 429 G C -0.497 174.434 174.900 0.052 0.000 1.282 429 G CA -0.461 44.689 45.100 0.083 0.000 0.857 429 G HN 0.582 nan 8.290 nan 0.000 0.571 430 K N 0.524 120.960 120.400 0.060 0.000 2.426 430 K HA 0.494 4.814 4.320 0.001 0.000 0.251 430 K C -1.218 175.390 176.600 0.014 0.000 0.941 430 K CA -0.781 55.522 56.287 0.027 0.000 0.808 430 K CB 2.737 35.245 32.500 0.014 0.000 1.265 430 K HN 0.387 nan 8.250 nan 0.000 0.432 431 L N 1.932 123.152 121.223 -0.004 0.000 2.372 431 L HA 0.424 4.764 4.340 0.001 0.000 0.274 431 L C -1.271 175.594 176.870 -0.009 0.000 0.988 431 L CA -0.856 53.974 54.840 -0.018 0.000 0.833 431 L CB 1.667 43.709 42.059 -0.027 0.000 1.236 431 L HN 0.246 nan 8.230 nan 0.000 0.410 432 V N 6.124 126.032 119.914 -0.010 0.000 2.370 432 V HA 0.440 4.560 4.120 0.001 0.000 0.279 432 V C -2.040 174.056 176.094 0.004 0.000 1.029 432 V CA -1.716 60.584 62.300 -0.001 0.000 0.870 432 V CB 1.212 33.027 31.823 -0.012 0.000 0.984 432 V HN 0.664 nan 8.190 nan 0.000 0.451 433 P HA 0.080 nan 4.420 nan 0.000 0.269 433 P C 0.748 178.056 177.300 0.013 0.000 1.209 433 P CA -0.334 62.774 63.100 0.013 0.000 0.776 433 P CB 0.722 32.432 31.700 0.017 0.000 0.876 434 L N 3.735 124.960 121.223 0.004 0.000 2.013 434 L HA -0.225 4.115 4.340 0.001 0.000 0.212 434 L C 1.822 178.678 176.870 -0.024 0.000 1.073 434 L CA 2.058 56.886 54.840 -0.020 0.000 0.753 434 L CB -0.855 41.191 42.059 -0.021 0.000 0.890 434 L HN 0.244 nan 8.230 nan 0.000 0.432 435 K N -0.208 120.191 120.400 -0.000 0.000 2.147 435 K HA -0.169 4.151 4.320 0.001 0.000 0.205 435 K C 1.997 178.621 176.600 0.039 0.000 1.049 435 K CA 1.643 57.937 56.287 0.012 0.000 0.936 435 K CB -0.142 32.372 32.500 0.023 0.000 0.722 435 K HN 0.593 nan 8.250 nan 0.000 0.446 436 E N -0.091 120.138 120.200 0.049 0.000 2.107 436 E HA -0.086 4.265 4.350 0.001 0.000 0.191 436 E C 1.916 178.594 176.600 0.130 0.000 0.982 436 E CA 1.129 57.577 56.400 0.079 0.000 0.809 436 E CB -0.009 29.732 29.700 0.069 0.000 0.756 436 E HN 0.218 nan 8.360 nan 0.000 0.459 437 T N 2.124 116.750 114.554 0.120 0.000 2.652 437 T HA -0.171 4.180 4.350 0.001 0.000 0.267 437 T C 1.946 176.830 174.700 0.305 0.000 1.039 437 T CA 1.093 63.320 62.100 0.212 0.000 1.153 437 T CB -0.173 68.776 68.868 0.136 0.000 0.863 437 T HN 0.098 nan 8.240 nan 0.000 0.428 438 I N 1.410 122.059 120.570 0.132 0.000 2.091 438 I HA -0.218 3.952 4.170 0.001 0.000 0.239 438 I C 2.544 178.766 176.117 0.175 0.000 1.061 438 I CA 1.686 63.053 61.300 0.112 0.000 1.317 438 I CB -1.087 36.912 38.000 -0.002 0.000 1.031 438 I HN 0.295 nan 8.210 nan 0.000 0.401 439 K N 1.085 121.563 120.400 0.130 0.000 2.044 439 K HA -0.184 4.136 4.320 0.001 0.000 0.210 439 K C 2.204 178.880 176.600 0.127 0.000 1.049 439 K CA 1.910 58.264 56.287 0.112 0.000 0.927 439 K CB -0.466 32.085 32.500 0.085 0.000 0.713 439 K HN 0.391 nan 8.250 nan 0.000 0.443 440 G N 0.365 109.256 108.800 0.152 0.000 2.459 440 G HA2 -0.252 3.709 3.960 0.001 0.000 0.217 440 G HA3 -0.252 3.709 3.960 0.001 0.000 0.217 440 G C 1.295 176.170 174.900 -0.042 0.000 1.183 440 G CA 1.000 46.122 45.100 0.036 0.000 0.776 440 G HN 0.320 nan 8.290 nan 0.000 0.552 441 F N 0.463 120.564 119.950 0.252 0.000 2.325 441 F HA 0.055 4.582 4.527 0.001 0.000 0.299 441 F C 2.890 178.742 175.800 0.087 0.000 1.090 441 F CA 1.282 59.390 58.000 0.179 0.000 1.392 441 F CB -0.087 39.019 39.000 0.177 0.000 1.053 441 F HN 0.158 nan 8.300 nan 0.000 0.521 442 Q N 0.275 120.213 119.800 0.231 0.000 2.050 442 Q HA -0.239 4.101 4.340 0.001 0.000 0.202 442 Q C 2.142 178.183 176.000 0.068 0.000 0.980 442 Q CA 1.635 57.516 55.803 0.129 0.000 0.840 442 Q CB -0.069 28.731 28.738 0.103 0.000 0.898 442 Q HN 0.486 nan 8.270 nan 0.000 0.424 443 Q N -0.124 119.707 119.800 0.052 0.000 2.119 443 Q HA -0.134 4.206 4.340 0.001 0.000 0.201 443 Q C 2.096 178.065 176.000 -0.052 0.000 0.972 443 Q CA 1.258 57.042 55.803 -0.032 0.000 0.847 443 Q CB -0.011 28.725 28.738 -0.004 0.000 0.903 443 Q HN 0.460 nan 8.270 nan 0.000 0.433 444 I N 0.545 121.145 120.570 0.049 0.000 2.179 444 I HA -0.292 3.878 4.170 0.001 0.000 0.242 444 I C 2.167 178.282 176.117 -0.003 0.000 1.088 444 I CA 1.057 62.374 61.300 0.028 0.000 1.357 444 I CB -0.296 37.667 38.000 -0.061 0.000 1.051 444 I HN 0.188 nan 8.210 nan 0.000 0.409 445 L N 0.743 121.986 121.223 0.034 0.000 2.079 445 L HA -0.211 4.129 4.340 0.001 0.000 0.210 445 L C 2.600 179.469 176.870 -0.002 0.000 1.081 445 L CA 1.342 56.197 54.840 0.025 0.000 0.752 445 L CB -0.624 41.467 42.059 0.053 0.000 0.896 445 L HN 0.267 nan 8.230 nan 0.000 0.433 446 A N -0.613 122.198 122.820 -0.016 0.000 2.239 446 A HA 0.198 4.518 4.320 0.001 0.000 0.209 446 A C 1.755 179.309 177.584 -0.051 0.000 1.171 446 A CA 0.861 52.879 52.037 -0.033 0.000 0.768 446 A CB -0.593 18.381 19.000 -0.042 0.000 0.790 446 A HN 0.584 nan 8.150 nan 0.000 0.478 447 G N -0.827 107.941 108.800 -0.053 0.000 2.157 447 G HA2 -0.279 3.682 3.960 0.001 0.000 0.248 447 G HA3 -0.279 3.682 3.960 0.001 0.000 0.248 447 G C 0.551 175.411 174.900 -0.068 0.000 0.979 447 G CA 0.552 45.626 45.100 -0.043 0.000 0.650 447 G HN 0.588 nan 8.290 nan 0.000 0.529 448 E N -1.010 119.080 120.200 -0.183 0.000 2.265 448 E HA -0.053 4.297 4.350 0.001 0.000 0.196 448 E C 0.932 177.310 176.600 -0.370 0.000 0.996 448 E CA 1.030 57.213 56.400 -0.361 0.000 0.832 448 E CB -0.066 29.266 29.700 -0.614 0.000 0.756 448 E HN 0.809 nan 8.360 nan 0.000 0.491 449 Y N -0.442 119.913 120.300 0.091 0.000 2.716 449 Y HA 0.118 4.668 4.550 0.001 0.000 0.260 449 Y C 0.789 176.693 175.900 0.007 0.000 1.141 449 Y CA -0.751 57.374 58.100 0.041 0.000 1.168 449 Y CB 0.701 39.245 38.460 0.139 0.000 1.189 449 Y HN -0.109 nan 8.280 nan 0.000 0.549 450 D N 0.084 120.598 120.400 0.190 0.000 2.263 450 D HA -0.176 4.464 4.640 0.001 0.000 0.208 450 D C 1.937 178.329 176.300 0.153 0.000 0.971 450 D CA 1.435 55.511 54.000 0.126 0.000 0.867 450 D CB -0.088 40.768 40.800 0.095 0.000 0.929 450 D HN 0.621 nan 8.370 nan 0.000 0.492 451 H N -0.673 118.453 119.070 0.094 0.000 2.551 451 H HA 0.133 4.689 4.556 0.001 0.000 0.266 451 H C 0.839 176.227 175.328 0.100 0.000 0.964 451 H CA -0.072 56.023 56.048 0.079 0.000 1.180 451 H CB -0.240 29.557 29.762 0.060 0.000 1.408 451 H HN 0.091 nan 8.280 nan 0.000 0.563 452 L N 3.374 124.463 121.223 -0.224 0.000 2.375 452 L HA 0.293 4.633 4.340 0.001 0.000 0.271 452 L C -2.058 174.857 176.870 0.076 0.000 1.107 452 L CA -2.015 52.756 54.840 -0.115 0.000 0.806 452 L CB 1.096 43.064 42.059 -0.151 0.000 1.146 452 L HN 0.036 nan 8.230 nan 0.000 0.447 453 P HA 0.106 nan 4.420 nan 0.000 0.280 453 P C 0.204 177.614 177.300 0.184 0.000 1.244 453 P CA -0.295 62.855 63.100 0.082 0.000 0.784 453 P CB 1.137 32.856 31.700 0.031 0.000 0.913 454 E N 1.744 122.045 120.200 0.168 0.000 2.149 454 E HA -0.312 4.038 4.350 0.001 0.000 0.215 454 E C 1.877 178.641 176.600 0.275 0.000 1.055 454 E CA 2.025 58.544 56.400 0.199 0.000 0.870 454 E CB -0.054 29.689 29.700 0.071 0.000 0.764 454 E HN 0.574 nan 8.360 nan 0.000 0.463 455 Q N -0.386 119.502 119.800 0.146 0.000 2.364 455 Q HA -0.070 4.270 4.340 0.001 0.000 0.207 455 Q C 1.966 178.037 176.000 0.119 0.000 0.970 455 Q CA 1.256 57.136 55.803 0.127 0.000 0.888 455 Q CB -0.094 28.684 28.738 0.068 0.000 0.951 455 Q HN 0.262 nan 8.270 nan 0.000 0.469 456 A N 0.548 123.375 122.820 0.011 0.000 2.067 456 A HA -0.017 4.303 4.320 0.001 0.000 0.219 456 A C 1.345 178.744 177.584 -0.308 0.000 1.158 456 A CA 0.655 52.555 52.037 -0.228 0.000 0.661 456 A CB -0.551 18.165 19.000 -0.473 0.000 0.801 456 A HN 0.334 nan 8.150 nan 0.000 0.452 457 F N -2.593 117.361 119.950 0.007 0.000 2.776 457 F HA 0.198 4.726 4.527 0.001 0.000 0.300 457 F C 0.707 176.607 175.800 0.167 0.000 1.116 457 F CA -0.406 57.631 58.000 0.062 0.000 1.375 457 F CB -0.248 38.772 39.000 0.033 0.000 1.109 457 F HN 0.268 nan 8.300 nan 0.000 0.585 458 Y N 1.743 122.135 120.300 0.154 0.000 2.402 458 Y HA 0.277 4.827 4.550 0.001 0.000 0.333 458 Y C 0.744 176.638 175.900 -0.011 0.000 1.076 458 Y CA -1.418 56.734 58.100 0.088 0.000 1.299 458 Y CB 0.231 38.736 38.460 0.075 0.000 1.197 458 Y HN 0.061 nan 8.280 nan 0.000 0.517 459 M N 5.785 125.021 119.600 -0.608 0.000 2.298 459 M HA -0.169 4.312 4.480 0.001 0.000 0.196 459 M C -1.155 174.881 176.300 -0.440 0.000 0.531 459 M CA 0.989 55.889 55.300 -0.667 0.000 0.459 459 M CB -2.550 29.429 32.600 -1.034 0.000 1.279 459 M HN 0.436 nan 8.290 nan 0.000 0.915 460 V N -3.338 116.446 119.914 -0.217 0.000 3.164 460 V HA 1.088 5.208 4.120 0.001 0.000 0.313 460 V C 0.780 176.825 176.094 -0.083 0.000 1.188 460 V CA -0.105 62.119 62.300 -0.127 0.000 1.058 460 V CB 1.503 33.300 31.823 -0.042 0.000 1.110 460 V HN 0.384 nan 8.190 nan 0.000 0.453 461 G N -0.067 108.713 108.800 -0.035 0.000 2.992 461 G HA2 0.462 4.422 3.960 0.001 0.000 0.195 461 G HA3 0.462 4.422 3.960 0.001 0.000 0.195 461 G C -2.231 172.685 174.900 0.027 0.000 2.032 461 G CA -0.249 44.834 45.100 -0.028 0.000 0.831 461 G HN 0.760 nan 8.290 nan 0.000 0.647 462 P HA 0.164 nan 4.420 nan 0.000 0.274 462 P C 0.710 178.152 177.300 0.237 0.000 1.246 462 P CA -0.563 62.637 63.100 0.166 0.000 0.795 462 P CB 1.501 33.248 31.700 0.079 0.000 1.006 463 I N 0.950 121.646 120.570 0.209 0.000 2.335 463 I HA -0.262 3.908 4.170 0.001 0.000 0.251 463 I C 1.829 177.810 176.117 -0.226 0.000 1.129 463 I CA 1.810 62.996 61.300 -0.190 0.000 1.402 463 I CB -0.686 37.140 38.000 -0.290 0.000 1.069 463 I HN 0.304 nan 8.210 nan 0.000 0.424 464 E N 0.282 120.425 120.200 -0.094 0.000 2.265 464 E HA -0.200 4.151 4.350 0.001 0.000 0.196 464 E C 1.991 178.519 176.600 -0.121 0.000 0.996 464 E CA 1.053 57.394 56.400 -0.098 0.000 0.832 464 E CB -0.162 29.516 29.700 -0.036 0.000 0.756 464 E HN 0.589 nan 8.360 nan 0.000 0.491 465 E N -0.185 119.956 120.200 -0.099 0.000 2.285 465 E HA -0.018 4.332 4.350 0.001 0.000 0.194 465 E C 1.893 178.381 176.600 -0.186 0.000 0.997 465 E CA 0.614 56.953 56.400 -0.103 0.000 0.845 465 E CB 0.054 29.723 29.700 -0.052 0.000 0.782 465 E HN 0.270 nan 8.360 nan 0.000 0.491 466 A N 0.863 123.506 122.820 -0.294 0.000 1.929 466 A HA -0.077 4.243 4.320 0.001 0.000 0.216 466 A C 2.418 179.643 177.584 -0.599 0.000 1.176 466 A CA 0.689 52.399 52.037 -0.545 0.000 0.628 466 A CB -0.350 18.122 19.000 -0.880 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.444 467 V N -0.056 119.556 119.914 -0.502 0.000 2.358 467 V HA -0.213 3.908 4.120 0.001 0.000 0.246 467 V C 3.023 178.981 176.094 -0.226 0.000 1.047 467 V CA 1.853 63.930 62.300 -0.370 0.000 1.035 467 V CB -1.143 30.531 31.823 -0.247 0.000 0.658 467 V HN 0.584 nan 8.190 nan 0.000 0.452 468 A N -0.397 122.316 122.820 -0.179 0.000 1.930 468 A HA -0.230 4.090 4.320 0.001 0.000 0.217 468 A C 2.340 179.854 177.584 -0.116 0.000 1.175 468 A CA 2.013 53.981 52.037 -0.115 0.000 0.627 468 A CB -0.435 18.515 19.000 -0.085 0.000 0.815 468 A HN 0.505 nan 8.150 nan 0.000 0.443 469 K N -0.312 119.995 120.400 -0.154 0.000 2.057 469 K HA -0.069 4.252 4.320 0.001 0.000 0.207 469 K C 2.155 178.675 176.600 -0.133 0.000 1.049 469 K CA 1.106 57.315 56.287 -0.130 0.000 0.931 469 K CB -0.296 32.115 32.500 -0.149 0.000 0.714 469 K HN 0.375 nan 8.250 nan 0.000 0.440 470 A N 1.508 124.208 122.820 -0.200 0.000 1.933 470 A HA -0.190 4.131 4.320 0.001 0.000 0.218 470 A C 1.615 179.142 177.584 -0.095 0.000 1.175 470 A CA 1.956 53.892 52.037 -0.168 0.000 0.628 470 A CB -0.451 18.403 19.000 -0.244 0.000 0.814 470 A HN 0.356 nan 8.150 nan 0.000 0.444 471 D N -0.508 119.839 120.400 -0.087 0.000 2.117 471 D HA -0.111 4.529 4.640 0.001 0.000 0.198 471 D C 1.875 178.154 176.300 -0.035 0.000 0.982 471 D CA 1.257 55.228 54.000 -0.048 0.000 0.828 471 D CB -0.252 40.522 40.800 -0.043 0.000 0.967 471 D HN 0.479 nan 8.370 nan 0.000 0.464 472 K N 0.366 120.742 120.400 -0.040 0.000 2.147 472 K HA -0.031 4.290 4.320 0.001 0.000 0.205 472 K C 2.155 178.745 176.600 -0.017 0.000 1.049 472 K CA 0.428 56.700 56.287 -0.024 0.000 0.936 472 K CB -0.029 32.457 32.500 -0.023 0.000 0.722 472 K HN 0.110 nan 8.250 nan 0.000 0.446 473 L N 0.591 121.800 121.223 -0.024 0.000 2.291 473 L HA -0.021 4.319 4.340 0.001 0.000 0.214 473 L C 0.901 177.766 176.870 -0.009 0.000 1.120 473 L CA 0.315 55.147 54.840 -0.014 0.000 0.799 473 L CB -0.587 41.460 42.059 -0.020 0.000 0.925 473 L HN 0.250 nan 8.230 nan 0.000 0.446 474 A N 0.000 122.813 122.820 -0.012 0.000 2.254 474 A HA 0.000 4.320 4.320 0.001 0.000 0.244 474 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486