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 1e1q_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.808 174.700 0.179 0.000 1.109 9 T CA 0.000 62.174 62.100 0.123 0.000 1.349 9 T CB 0.000 68.956 68.868 0.147 0.000 0.612 10 T N -0.345 114.259 114.554 0.084 0.000 2.824 10 T HA 0.810 5.160 4.350 -0.000 0.000 0.280 10 T C 0.588 175.112 174.700 -0.293 0.000 0.995 10 T CA -0.068 62.005 62.100 -0.044 0.000 1.009 10 T CB 1.247 70.079 68.868 -0.059 0.000 0.955 10 T HN 1.334 nan 8.240 nan 0.000 0.452 11 G N 1.800 110.149 108.800 -0.752 0.000 2.597 11 G HA2 0.708 4.668 3.960 -0.000 0.000 0.317 11 G HA3 0.708 4.668 3.960 -0.000 0.000 0.317 11 G C -1.024 173.539 174.900 -0.562 0.000 1.230 11 G CA -1.238 43.145 45.100 -1.195 0.000 0.996 11 G HN 0.830 nan 8.290 nan 0.000 0.490 12 R N -0.222 120.032 120.500 -0.410 0.000 2.532 12 R HA 0.302 4.642 4.340 -0.000 0.000 0.297 12 R C -0.395 175.812 176.300 -0.154 0.000 0.984 12 R CA -0.787 55.181 56.100 -0.219 0.000 0.884 12 R CB 2.389 32.601 30.300 -0.148 0.000 1.182 12 R HN 0.416 nan 8.270 nan 0.000 0.442 13 I N 3.615 124.119 120.570 -0.109 0.000 2.828 13 I HA -0.160 4.010 4.170 -0.000 0.000 0.292 13 I C 1.575 177.663 176.117 -0.047 0.000 1.206 13 I CA 0.421 61.684 61.300 -0.062 0.000 1.420 13 I CB 0.551 38.525 38.000 -0.043 0.000 1.368 13 I HN 0.553 nan 8.210 nan 0.000 0.556 14 V N 3.183 123.079 119.914 -0.031 0.000 3.661 14 V HA 0.593 4.713 4.120 -0.000 0.000 0.271 14 V C 0.577 176.664 176.094 -0.011 0.000 1.315 14 V CA 0.439 62.727 62.300 -0.021 0.000 1.072 14 V CB 0.001 31.814 31.823 -0.015 0.000 0.830 14 V HN 0.758 nan 8.190 nan 0.000 0.443 15 A N -0.293 122.523 122.820 -0.007 0.000 2.577 15 A HA 0.796 5.116 4.320 -0.000 0.000 0.297 15 A C -1.326 176.257 177.584 -0.002 0.000 1.060 15 A CA -0.357 51.678 52.037 -0.003 0.000 0.697 15 A CB 2.057 21.058 19.000 0.002 0.000 1.281 15 A HN 0.536 nan 8.150 nan 0.000 0.402 16 V N 1.711 121.624 119.914 -0.003 0.000 2.733 16 V HA 0.663 4.783 4.120 -0.000 0.000 0.306 16 V C -1.381 174.711 176.094 -0.003 0.000 1.084 16 V CA -0.255 62.044 62.300 -0.003 0.000 0.905 16 V CB 1.595 33.415 31.823 -0.005 0.000 1.010 16 V HN 0.723 nan 8.190 nan 0.000 0.424 17 I N 4.002 124.571 120.570 -0.003 0.000 2.586 17 I HA 0.671 4.841 4.170 -0.000 0.000 0.281 17 I C 0.720 176.833 176.117 -0.006 0.000 1.145 17 I CA 0.738 62.035 61.300 -0.004 0.000 1.073 17 I CB 1.419 39.417 38.000 -0.003 0.000 1.238 17 I HN 0.870 nan 8.210 nan 0.000 0.461 18 G N 4.407 113.203 108.800 -0.007 0.000 2.660 18 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.321 18 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.321 18 G C 1.033 175.928 174.900 -0.010 0.000 1.246 18 G CA 0.971 46.066 45.100 -0.010 0.000 1.000 18 G HN 1.066 nan 8.290 nan 0.000 0.550 19 A N -0.824 121.988 122.820 -0.013 0.000 2.208 19 A HA 0.559 4.879 4.320 -0.000 0.000 0.209 19 A C 1.043 178.622 177.584 -0.009 0.000 1.161 19 A CA 1.602 53.631 52.037 -0.013 0.000 0.782 19 A CB 0.075 19.061 19.000 -0.022 0.000 0.816 19 A HN 1.300 nan 8.150 nan 0.000 0.477 20 V N 1.383 121.293 119.914 -0.006 0.000 2.350 20 V HA 0.330 4.450 4.120 -0.000 0.000 0.276 20 V C -0.538 175.560 176.094 0.005 0.000 1.028 20 V CA -0.349 61.951 62.300 -0.000 0.000 0.860 20 V CB 1.260 33.081 31.823 -0.002 0.000 0.990 20 V HN 0.111 nan 8.190 nan 0.000 0.453 21 V N 4.223 124.145 119.914 0.013 0.000 2.459 21 V HA 0.472 4.592 4.120 -0.000 0.000 0.295 21 V C -0.535 175.577 176.094 0.029 0.000 1.029 21 V CA -0.796 61.513 62.300 0.016 0.000 0.874 21 V CB 2.051 33.884 31.823 0.017 0.000 0.985 21 V HN 0.758 nan 8.190 nan 0.000 0.438 22 D N 3.058 123.473 120.400 0.025 0.000 2.232 22 D HA 0.576 5.216 4.640 -0.000 0.000 0.242 22 D C -0.603 175.717 176.300 0.033 0.000 1.093 22 D CA 0.046 54.068 54.000 0.036 0.000 0.845 22 D CB 2.002 42.818 40.800 0.027 0.000 1.124 22 D HN 0.276 nan 8.370 nan 0.000 0.467 23 V N 2.617 122.572 119.914 0.068 0.000 2.531 23 V HA 0.316 4.436 4.120 -0.000 0.000 0.301 23 V C -0.195 175.946 176.094 0.079 0.000 1.034 23 V CA -0.928 61.398 62.300 0.043 0.000 0.865 23 V CB 1.815 33.697 31.823 0.098 0.000 0.995 23 V HN 0.397 nan 8.190 nan 0.000 0.424 24 Q N 3.337 123.112 119.800 -0.043 0.000 2.290 24 Q HA 0.594 4.934 4.340 -0.000 0.000 0.259 24 Q C -1.840 174.124 176.000 -0.060 0.000 0.941 24 Q CA -0.444 55.366 55.803 0.012 0.000 0.912 24 Q CB 1.154 29.881 28.738 -0.018 0.000 1.244 24 Q HN 0.619 nan 8.270 nan 0.000 0.441 25 F N 3.028 122.959 119.950 -0.032 0.000 2.444 25 F HA 0.235 4.762 4.527 -0.000 0.000 0.342 25 F C 0.341 176.120 175.800 -0.035 0.000 1.121 25 F CA -0.686 57.295 58.000 -0.032 0.000 0.997 25 F CB 1.789 40.767 39.000 -0.037 0.000 1.130 25 F HN 0.680 nan 8.300 nan 0.000 0.454 26 D N 0.490 120.952 120.400 0.104 0.000 2.234 26 D HA -0.014 4.626 4.640 -0.000 0.000 0.205 26 D C 0.039 176.376 176.300 0.061 0.000 0.962 26 D CA 1.245 55.279 54.000 0.056 0.000 0.855 26 D CB 0.350 41.160 40.800 0.017 0.000 0.951 26 D HN 0.344 nan 8.370 nan 0.000 0.500 27 E N -0.701 119.554 120.200 0.092 0.000 2.331 27 E HA 0.460 4.810 4.350 -0.000 0.000 0.275 27 E C -0.198 176.453 176.600 0.085 0.000 0.895 27 E CA -0.626 55.812 56.400 0.064 0.000 0.753 27 E CB 2.014 31.741 29.700 0.045 0.000 1.216 27 E HN 0.062 nan 8.360 nan 0.000 0.434 28 G N 2.229 111.042 108.800 0.021 0.000 2.422 28 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.290 28 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.290 28 G C -0.357 174.460 174.900 -0.138 0.000 1.059 28 G CA -0.073 45.011 45.100 -0.028 0.000 1.242 28 G HN 0.276 nan 8.290 nan 0.000 0.520 29 L N 2.757 123.868 121.223 -0.187 0.000 2.455 29 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 29 L C -1.292 175.351 176.870 -0.378 0.000 1.174 29 L CA -1.409 53.207 54.840 -0.373 0.000 0.869 29 L CB 0.386 42.252 42.059 -0.322 0.000 1.130 29 L HN 0.241 nan 8.230 nan 0.000 0.474 30 P HA 0.304 nan 4.420 nan 0.000 0.281 30 P C -2.677 174.615 177.300 -0.014 0.000 1.252 30 P CA -1.568 61.347 63.100 -0.308 0.000 0.778 30 P CB 0.205 31.648 31.700 -0.428 0.000 0.895 31 P HA 0.135 nan 4.420 nan 0.000 0.272 31 P C 0.347 177.605 177.300 -0.071 0.000 1.230 31 P CA -0.104 63.009 63.100 0.022 0.000 0.788 31 P CB 0.616 32.302 31.700 -0.023 0.000 0.949 32 I N 2.174 122.619 120.570 -0.208 0.000 2.815 32 I HA -0.132 4.038 4.170 -0.000 0.000 0.291 32 I C 1.433 177.454 176.117 -0.160 0.000 1.209 32 I CA 0.579 61.747 61.300 -0.220 0.000 1.431 32 I CB -0.357 37.476 38.000 -0.279 0.000 1.351 32 I HN 0.424 nan 8.210 nan 0.000 0.585 33 L N 1.969 123.098 121.223 -0.157 0.000 4.892 33 L HA -0.242 4.098 4.340 -0.000 0.000 0.403 33 L C 0.020 176.853 176.870 -0.061 0.000 0.913 33 L CA 0.070 54.801 54.840 -0.180 0.000 1.653 33 L CB -1.776 40.084 42.059 -0.332 0.000 1.780 33 L HN 0.683 nan 8.230 nan 0.000 0.597 34 N N 1.071 119.745 118.700 -0.043 0.000 2.530 34 N HA 0.592 5.332 4.740 -0.000 0.000 0.277 34 N C 0.186 175.704 175.510 0.013 0.000 1.168 34 N CA 0.678 53.721 53.050 -0.013 0.000 0.979 34 N CB 1.289 39.756 38.487 -0.033 0.000 1.141 34 N HN 0.267 nan 8.380 nan 0.000 0.459 35 A N 2.856 125.691 122.820 0.025 0.000 2.276 35 A HA 0.484 4.804 4.320 -0.000 0.000 0.300 35 A C -0.208 177.400 177.584 0.040 0.000 1.235 35 A CA -0.525 51.533 52.037 0.035 0.000 0.867 35 A CB -0.163 18.856 19.000 0.032 0.000 1.137 35 A HN 0.623 nan 8.150 nan 0.000 0.527 36 L N 2.150 123.410 121.223 0.062 0.000 2.343 36 L HA 0.494 4.834 4.340 -0.000 0.000 0.275 36 L C -0.042 176.867 176.870 0.064 0.000 1.056 36 L CA -0.697 54.199 54.840 0.094 0.000 0.804 36 L CB 1.233 43.386 42.059 0.157 0.000 1.203 36 L HN 0.579 nan 8.230 nan 0.000 0.440 37 E N 2.353 122.588 120.200 0.058 0.000 2.129 37 E HA 0.311 4.661 4.350 -0.000 0.000 0.268 37 E C -0.849 175.766 176.600 0.024 0.000 0.900 37 E CA -0.603 55.816 56.400 0.031 0.000 0.755 37 E CB 2.493 32.205 29.700 0.020 0.000 1.117 37 E HN 0.203 nan 8.360 nan 0.000 0.410 38 V N 3.740 123.663 119.914 0.014 0.000 2.614 38 V HA 0.013 4.133 4.120 -0.000 0.000 0.291 38 V C 0.574 176.664 176.094 -0.005 0.000 1.049 38 V CA -0.305 61.995 62.300 0.001 0.000 1.038 38 V CB 0.892 32.714 31.823 -0.001 0.000 0.980 38 V HN 0.484 nan 8.190 nan 0.000 0.481 39 Q N 2.187 121.979 119.800 -0.015 0.000 2.214 39 Q HA 0.511 4.851 4.340 -0.000 0.000 0.251 39 Q C 0.843 176.833 176.000 -0.016 0.000 0.936 39 Q CA 0.262 56.056 55.803 -0.015 0.000 0.894 39 Q CB 1.543 30.269 28.738 -0.020 0.000 1.252 39 Q HN 1.162 nan 8.270 nan 0.000 0.448 40 G N 2.184 110.977 108.800 -0.013 0.000 2.341 40 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.278 40 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.278 40 G C -0.331 174.563 174.900 -0.010 0.000 1.111 40 G CA -0.147 44.946 45.100 -0.012 0.000 0.982 40 G HN 0.358 nan 8.290 nan 0.000 0.502 41 R N -0.826 119.669 120.500 -0.008 0.000 2.548 41 R HA 0.267 4.607 4.340 -0.000 0.000 0.280 41 R C 0.998 177.295 176.300 -0.005 0.000 1.061 41 R CA -0.608 55.488 56.100 -0.007 0.000 0.915 41 R CB 1.240 31.536 30.300 -0.006 0.000 1.210 41 R HN 0.362 nan 8.270 nan 0.000 0.442 42 E N 0.618 120.815 120.200 -0.005 0.000 2.023 42 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 42 E C 0.477 177.075 176.600 -0.003 0.000 1.003 42 E CA 1.836 58.234 56.400 -0.004 0.000 0.809 42 E CB 0.094 29.792 29.700 -0.003 0.000 0.755 42 E HN 0.599 nan 8.360 nan 0.000 0.449 43 T N -0.835 113.717 114.554 -0.003 0.000 2.928 43 T HA 0.307 4.657 4.350 -0.000 0.000 0.284 43 T C 0.010 174.709 174.700 -0.001 0.000 1.008 43 T CA -0.945 61.154 62.100 -0.002 0.000 1.057 43 T CB 1.956 70.823 68.868 -0.001 0.000 1.018 43 T HN -0.030 nan 8.240 nan 0.000 0.493 44 R N 1.233 121.733 120.500 -0.001 0.000 2.446 44 R HA 0.181 4.521 4.340 -0.000 0.000 0.314 44 R C -0.949 175.352 176.300 0.002 0.000 1.003 44 R CA -0.408 55.692 56.100 0.000 0.000 1.018 44 R CB -0.218 30.082 30.300 -0.000 0.000 0.945 44 R HN 0.576 nan 8.270 nan 0.000 0.419 45 L N 6.345 127.570 121.223 0.003 0.000 2.324 45 L HA 0.296 4.636 4.340 -0.000 0.000 0.274 45 L C -1.178 175.698 176.870 0.010 0.000 1.012 45 L CA -0.483 54.360 54.840 0.005 0.000 0.859 45 L CB 1.626 43.687 42.059 0.002 0.000 1.224 45 L HN 0.266 nan 8.230 nan 0.000 0.429 46 V N 6.080 126.001 119.914 0.012 0.000 2.498 46 V HA 0.371 4.491 4.120 -0.000 0.000 0.279 46 V C 0.257 176.365 176.094 0.024 0.000 1.048 46 V CA -0.391 61.921 62.300 0.019 0.000 0.967 46 V CB 1.326 33.159 31.823 0.017 0.000 0.988 46 V HN 0.581 nan 8.190 nan 0.000 0.473 47 L N 4.524 125.769 121.223 0.036 0.000 2.313 47 L HA 0.587 4.927 4.340 -0.000 0.000 0.283 47 L C 0.043 176.941 176.870 0.047 0.000 1.013 47 L CA -0.307 54.558 54.840 0.042 0.000 0.816 47 L CB 1.744 43.836 42.059 0.054 0.000 1.236 47 L HN 0.668 nan 8.230 nan 0.000 0.419 48 E N 2.674 122.898 120.200 0.041 0.000 2.175 48 E HA 0.369 4.719 4.350 -0.000 0.000 0.278 48 E C -1.097 175.519 176.600 0.026 0.000 0.969 48 E CA -0.796 55.630 56.400 0.042 0.000 0.796 48 E CB 1.962 31.701 29.700 0.065 0.000 1.104 48 E HN 0.336 nan 8.360 nan 0.000 0.395 49 V N 4.224 124.145 119.914 0.010 0.000 2.521 49 V HA 0.125 4.245 4.120 -0.000 0.000 0.286 49 V C 0.934 177.004 176.094 -0.040 0.000 1.034 49 V CA 0.678 62.979 62.300 0.001 0.000 1.045 49 V CB 0.693 32.509 31.823 -0.011 0.000 0.974 49 V HN 0.883 nan 8.190 nan 0.000 0.480 50 A N 4.123 126.925 122.820 -0.029 0.000 1.993 50 A HA 0.269 4.589 4.320 -0.000 0.000 0.207 50 A C 0.716 178.250 177.584 -0.082 0.000 1.224 50 A CA 0.492 52.495 52.037 -0.055 0.000 0.749 50 A CB 0.270 19.251 19.000 -0.031 0.000 0.884 50 A HN 0.888 nan 8.150 nan 0.000 0.467 51 Q N -0.954 118.813 119.800 -0.055 0.000 2.472 51 Q HA 0.351 4.691 4.340 -0.000 0.000 0.281 51 Q C -1.913 174.103 176.000 0.027 0.000 0.997 51 Q CA -0.678 55.082 55.803 -0.072 0.000 0.828 51 Q CB 0.582 29.300 28.738 -0.033 0.000 1.443 51 Q HN 0.526 nan 8.270 nan 0.000 0.390 52 H N 2.053 121.113 119.070 -0.016 0.000 2.640 52 H HA 0.277 4.833 4.556 -0.000 0.000 0.297 52 H C 0.574 175.901 175.328 -0.002 0.000 1.073 52 H CA -0.445 55.596 56.048 -0.011 0.000 1.305 52 H CB 1.127 30.877 29.762 -0.020 0.000 1.404 52 H HN 0.467 nan 8.280 nan 0.000 0.459 53 L N 3.102 124.401 121.223 0.126 0.000 2.552 53 L HA 0.130 4.470 4.340 -0.000 0.000 0.227 53 L C 1.248 178.148 176.870 0.051 0.000 1.146 53 L CA 0.507 55.389 54.840 0.070 0.000 0.858 53 L CB -0.211 41.880 42.059 0.054 0.000 0.969 53 L HN 0.919 nan 8.230 nan 0.000 0.451 54 G N 0.147 108.975 108.800 0.048 0.000 2.661 54 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.685 54 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.685 54 G C 0.018 174.923 174.900 0.007 0.000 1.298 54 G CA -0.406 44.706 45.100 0.020 0.000 0.855 54 G HN 0.332 nan 8.290 nan 0.000 0.560 55 E N -0.981 119.219 120.200 -0.001 0.000 2.440 55 E HA -0.241 4.109 4.350 -0.000 0.000 0.246 55 E C 1.127 177.726 176.600 -0.001 0.000 1.165 55 E CA 1.096 57.496 56.400 -0.001 0.000 0.726 55 E CB -1.646 28.057 29.700 0.006 0.000 1.271 55 E HN 2.028 nan 8.360 nan 0.000 0.397 56 S N -2.643 113.046 115.700 -0.019 0.000 3.358 56 S HA -0.225 4.245 4.470 -0.000 0.000 0.309 56 S C 0.344 174.960 174.600 0.027 0.000 1.247 56 S CA 1.597 59.789 58.200 -0.015 0.000 0.961 56 S CB -1.143 62.064 63.200 0.011 0.000 1.074 56 S HN 0.470 nan 8.310 nan 0.000 0.625 57 T N 1.764 116.333 114.554 0.025 0.000 2.867 57 T HA 0.638 4.988 4.350 -0.000 0.000 0.282 57 T C 0.295 175.042 174.700 0.079 0.000 1.000 57 T CA -0.193 61.946 62.100 0.064 0.000 1.042 57 T CB 1.830 70.727 68.868 0.047 0.000 0.973 57 T HN 0.619 nan 8.240 nan 0.000 0.465 58 V N 1.035 121.030 119.914 0.136 0.000 2.769 58 V HA 0.752 4.872 4.120 -0.000 0.000 0.312 58 V C -0.408 175.763 176.094 0.127 0.000 1.061 58 V CA -1.417 60.980 62.300 0.161 0.000 0.931 58 V CB 1.773 33.717 31.823 0.203 0.000 1.010 58 V HN 0.835 nan 8.190 nan 0.000 0.433 59 R N 2.259 122.819 120.500 0.100 0.000 2.312 59 R HA 0.754 5.094 4.340 -0.000 0.000 0.311 59 R C -0.045 176.287 176.300 0.054 0.000 1.004 59 R CA 0.401 56.538 56.100 0.063 0.000 0.902 59 R CB 1.460 31.784 30.300 0.040 0.000 1.073 59 R HN 1.187 nan 8.270 nan 0.000 0.457 60 T N 0.886 115.468 114.554 0.047 0.000 2.864 60 T HA 0.585 4.935 4.350 -0.000 0.000 0.289 60 T C -0.225 174.488 174.700 0.022 0.000 1.082 60 T CA -0.863 61.260 62.100 0.040 0.000 1.009 60 T CB 1.208 70.114 68.868 0.063 0.000 1.234 60 T HN 0.430 nan 8.240 nan 0.000 0.526 61 I N 1.199 121.779 120.570 0.016 0.000 2.447 61 I HA 0.591 4.761 4.170 -0.000 0.000 0.287 61 I C 0.477 176.598 176.117 0.008 0.000 1.023 61 I CA -1.271 60.032 61.300 0.004 0.000 1.083 61 I CB 1.712 39.707 38.000 -0.007 0.000 1.245 61 I HN 1.002 nan 8.210 nan 0.000 0.434 62 A N 6.932 129.754 122.820 0.003 0.000 2.386 62 A HA 0.482 4.802 4.320 -0.000 0.000 0.248 62 A C 0.717 178.300 177.584 -0.002 0.000 1.082 62 A CA -0.172 51.867 52.037 0.004 0.000 0.789 62 A CB 0.435 19.436 19.000 0.001 0.000 1.025 62 A HN 0.764 nan 8.150 nan 0.000 0.490 63 M N 0.617 120.218 119.600 0.001 0.000 2.383 63 M HA 0.234 4.714 4.480 -0.000 0.000 0.247 63 M C -0.246 176.052 176.300 -0.004 0.000 1.117 63 M CA 0.420 55.718 55.300 -0.003 0.000 0.995 63 M CB -0.943 31.658 32.600 0.002 0.000 1.480 63 M HN 0.801 nan 8.290 nan 0.000 0.485 64 D N -0.966 119.432 120.400 -0.003 0.000 2.779 64 D HA 0.391 5.031 4.640 -0.000 0.000 0.331 64 D C -0.633 175.664 176.300 -0.004 0.000 1.331 64 D CA -0.202 53.796 54.000 -0.003 0.000 0.866 64 D CB 1.144 41.943 40.800 -0.001 0.000 1.409 64 D HN 0.107 nan 8.370 nan 0.000 0.486 65 G N -0.306 108.491 108.800 -0.004 0.000 2.272 65 G HA2 0.299 4.258 3.960 -0.000 0.000 0.247 65 G HA3 0.299 4.258 3.960 -0.000 0.000 0.247 65 G C 0.933 175.830 174.900 -0.005 0.000 1.272 65 G CA 0.700 45.797 45.100 -0.005 0.000 0.921 65 G HN 0.388 nan 8.290 nan 0.000 0.495 66 T N -0.542 114.009 114.554 -0.005 0.000 3.272 66 T HA 0.168 4.518 4.350 -0.000 0.000 0.250 66 T C 0.532 175.228 174.700 -0.006 0.000 1.082 66 T CA -0.134 61.963 62.100 -0.005 0.000 0.968 66 T CB -0.201 68.664 68.868 -0.005 0.000 1.015 66 T HN 0.588 nan 8.240 nan 0.000 0.563 67 E N 0.868 121.064 120.200 -0.006 0.000 2.398 67 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 67 E C 1.408 178.004 176.600 -0.006 0.000 1.046 67 E CA 0.081 56.478 56.400 -0.006 0.000 0.908 67 E CB -0.201 29.495 29.700 -0.005 0.000 0.963 67 E HN 0.215 nan 8.360 nan 0.000 0.431 68 G N 1.405 110.201 108.800 -0.007 0.000 2.336 68 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.233 68 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.233 68 G C 0.199 175.093 174.900 -0.009 0.000 1.053 68 G CA 0.001 45.097 45.100 -0.008 0.000 0.625 68 G HN 0.470 nan 8.290 nan 0.000 0.511 69 L N 1.038 122.256 121.223 -0.010 0.000 2.516 69 L HA 0.403 4.743 4.340 -0.000 0.000 0.288 69 L C 0.720 177.582 176.870 -0.013 0.000 1.246 69 L CA 0.133 54.966 54.840 -0.012 0.000 0.844 69 L CB 0.605 42.657 42.059 -0.012 0.000 1.106 69 L HN 0.121 nan 8.230 nan 0.000 0.509 70 V N 1.809 121.713 119.914 -0.017 0.000 2.914 70 V HA 0.405 4.525 4.120 -0.000 0.000 0.314 70 V C 0.019 176.100 176.094 -0.022 0.000 1.084 70 V CA -1.013 61.277 62.300 -0.017 0.000 0.963 70 V CB 1.968 33.780 31.823 -0.018 0.000 1.025 70 V HN 0.636 nan 8.190 nan 0.000 0.432 71 R N 1.298 121.786 120.500 -0.020 0.000 2.537 71 R HA 0.451 4.791 4.340 -0.000 0.000 0.280 71 R C 1.300 177.582 176.300 -0.030 0.000 1.058 71 R CA 1.306 57.391 56.100 -0.024 0.000 1.057 71 R CB 0.365 30.653 30.300 -0.020 0.000 0.973 71 R HN 1.224 nan 8.270 nan 0.000 0.438 72 G N 1.474 110.250 108.800 -0.040 0.000 2.254 72 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.225 72 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.225 72 G C 0.179 175.045 174.900 -0.057 0.000 1.003 72 G CA 0.123 45.195 45.100 -0.047 0.000 0.622 72 G HN 0.602 nan 8.290 nan 0.000 0.507 73 Q N 1.335 121.104 119.800 -0.051 0.000 2.386 73 Q HA 0.382 4.722 4.340 -0.000 0.000 0.282 73 Q C 0.129 176.084 176.000 -0.074 0.000 1.050 73 Q CA 0.266 56.038 55.803 -0.052 0.000 0.918 73 Q CB 0.403 29.118 28.738 -0.038 0.000 1.266 73 Q HN 0.209 nan 8.270 nan 0.000 0.423 74 K N 2.247 122.604 120.400 -0.072 0.000 2.174 74 K HA 0.391 4.711 4.320 -0.000 0.000 0.275 74 K C -1.139 175.405 176.600 -0.094 0.000 1.015 74 K CA -0.434 55.795 56.287 -0.097 0.000 0.933 74 K CB 1.613 34.069 32.500 -0.074 0.000 1.025 74 K HN 0.459 nan 8.250 nan 0.000 0.463 75 V N 3.666 123.493 119.914 -0.145 0.000 2.656 75 V HA 0.397 4.517 4.120 -0.000 0.000 0.307 75 V C -0.647 175.426 176.094 -0.035 0.000 1.051 75 V CA -1.060 61.184 62.300 -0.092 0.000 0.893 75 V CB 1.920 33.678 31.823 -0.108 0.000 0.999 75 V HN 0.572 nan 8.190 nan 0.000 0.426 76 L N 3.116 124.372 121.223 0.055 0.000 2.313 76 L HA 0.595 4.935 4.340 -0.000 0.000 0.283 76 L C -0.267 176.698 176.870 0.159 0.000 1.013 76 L CA -0.177 54.726 54.840 0.106 0.000 0.816 76 L CB 1.580 43.668 42.059 0.049 0.000 1.236 76 L HN 0.744 nan 8.230 nan 0.000 0.419 77 D N 1.851 122.380 120.400 0.214 0.000 2.346 77 D HA 0.014 4.654 4.640 -0.000 0.000 0.260 77 D C 1.207 177.539 176.300 0.053 0.000 1.252 77 D CA 0.512 54.584 54.000 0.121 0.000 0.895 77 D CB 1.319 42.147 40.800 0.046 0.000 1.097 77 D HN 0.574 nan 8.370 nan 0.000 0.489 78 S N 3.015 118.735 115.700 0.034 0.000 2.500 78 S HA 0.005 4.475 4.470 -0.000 0.000 0.239 78 S C 1.741 176.338 174.600 -0.005 0.000 0.989 78 S CA 1.024 59.228 58.200 0.008 0.000 0.951 78 S CB -0.372 62.828 63.200 -0.000 0.000 0.759 78 S HN 0.915 nan 8.310 nan 0.000 0.523 79 G N 0.581 109.376 108.800 -0.009 0.000 2.383 79 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.229 79 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.229 79 G C 0.281 175.171 174.900 -0.017 0.000 1.089 79 G CA 0.083 45.173 45.100 -0.017 0.000 0.640 79 G HN 1.564 nan 8.290 nan 0.000 0.510 80 A N 0.103 122.916 122.820 -0.011 0.000 2.507 80 A HA 0.983 5.303 4.320 -0.000 0.000 0.284 80 A C -2.957 174.632 177.584 0.010 0.000 1.281 80 A CA -0.530 51.505 52.037 -0.003 0.000 0.744 80 A CB 0.898 19.897 19.000 -0.002 0.000 1.332 80 A HN 0.230 nan 8.150 nan 0.000 0.454 81 P HA 0.471 nan 4.420 nan 0.000 0.282 81 P C -0.624 176.713 177.300 0.063 0.000 1.287 81 P CA -0.576 62.565 63.100 0.068 0.000 0.792 81 P CB 0.259 32.031 31.700 0.120 0.000 1.163 82 I N 0.791 121.408 120.570 0.078 0.000 2.742 82 I HA -0.056 4.114 4.170 -0.000 0.000 0.287 82 I C 1.072 177.210 176.117 0.035 0.000 1.186 82 I CA 0.910 62.233 61.300 0.038 0.000 1.417 82 I CB -0.216 37.798 38.000 0.023 0.000 1.377 82 I HN 0.104 nan 8.210 nan 0.000 0.556 83 R N 7.296 127.815 120.500 0.031 0.000 2.589 83 R HA 0.771 5.111 4.340 -0.000 0.000 0.293 83 R C -0.724 175.650 176.300 0.123 0.000 0.963 83 R CA -0.803 55.339 56.100 0.070 0.000 0.905 83 R CB 2.009 32.339 30.300 0.051 0.000 1.144 83 R HN 0.588 nan 8.270 nan 0.000 0.459 84 I N -1.522 119.153 120.570 0.175 0.000 2.934 84 I HA 0.618 4.788 4.170 -0.000 0.000 0.306 84 I C -2.739 173.482 176.117 0.174 0.000 1.110 84 I CA -3.366 58.035 61.300 0.167 0.000 1.019 84 I CB 2.408 40.432 38.000 0.040 0.000 1.227 84 I HN 0.299 nan 8.210 nan 0.000 0.434 85 P HA 0.197 nan 4.420 nan 0.000 0.268 85 P C -0.744 176.355 177.300 -0.336 0.000 1.204 85 P CA -0.110 62.793 63.100 -0.329 0.000 0.768 85 P CB 0.826 32.397 31.700 -0.216 0.000 0.842 86 V N -0.114 119.494 119.914 -0.509 0.000 3.130 86 V HA 1.020 5.140 4.120 -0.000 0.000 0.310 86 V C -0.054 175.542 176.094 -0.830 0.000 1.158 86 V CA -0.245 61.695 62.300 -0.601 0.000 1.029 86 V CB 1.448 32.929 31.823 -0.569 0.000 1.057 86 V HN 0.943 nan 8.190 nan 0.000 0.436 87 G N 1.576 109.704 108.800 -1.121 0.000 2.462 87 G HA2 0.070 4.030 3.960 -0.000 0.000 0.685 87 G HA3 0.070 4.030 3.960 -0.000 0.000 0.685 87 G C -2.210 172.574 174.900 -0.193 0.000 1.295 87 G CA -0.067 44.540 45.100 -0.821 0.000 0.941 87 G HN 0.801 nan 8.290 nan 0.000 0.554 88 P HA -0.059 nan 4.420 nan 0.000 0.219 88 P C 1.144 178.425 177.300 -0.033 0.000 1.146 88 P CA 1.818 64.954 63.100 0.061 0.000 0.808 88 P CB 0.011 31.755 31.700 0.074 0.000 0.779 89 E N 0.364 120.524 120.200 -0.065 0.000 2.416 89 E HA -0.010 4.340 4.350 -0.000 0.000 0.189 89 E C 0.943 177.500 176.600 -0.073 0.000 1.091 89 E CA 0.681 57.041 56.400 -0.068 0.000 0.889 89 E CB -1.234 28.421 29.700 -0.075 0.000 1.015 89 E HN 0.340 nan 8.360 nan 0.000 0.479 90 T N -2.349 112.168 114.554 -0.060 0.000 2.990 90 T HA 0.232 4.582 4.350 -0.000 0.000 0.250 90 T C 0.982 175.688 174.700 0.010 0.000 1.041 90 T CA -0.413 61.662 62.100 -0.041 0.000 1.010 90 T CB -0.126 68.701 68.868 -0.068 0.000 1.003 90 T HN 0.043 nan 8.240 nan 0.000 0.499 91 L N 2.042 123.262 121.223 -0.005 0.000 2.455 91 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 91 L C 1.764 178.625 176.870 -0.014 0.000 1.174 91 L CA 0.913 55.726 54.840 -0.045 0.000 0.869 91 L CB 0.166 42.106 42.059 -0.198 0.000 1.130 91 L HN 0.558 nan 8.230 nan 0.000 0.474 92 G N 1.786 110.600 108.800 0.024 0.000 2.245 92 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.264 92 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.264 92 G C 0.454 175.411 174.900 0.095 0.000 0.985 92 G CA -0.223 44.917 45.100 0.066 0.000 0.625 92 G HN 0.475 nan 8.290 nan 0.000 0.536 93 R N 0.142 120.671 120.500 0.048 0.000 2.532 93 R HA 0.694 5.034 4.340 -0.000 0.000 0.272 93 R C 0.476 176.772 176.300 -0.007 0.000 1.032 93 R CA -0.989 55.121 56.100 0.017 0.000 1.089 93 R CB 0.501 30.800 30.300 -0.002 0.000 1.098 93 R HN 0.339 nan 8.270 nan 0.000 0.526 94 I N 3.164 123.684 120.570 -0.084 0.000 2.330 94 I HA 0.342 4.512 4.170 -0.000 0.000 0.289 94 I C 0.660 176.762 176.117 -0.025 0.000 1.001 94 I CA -0.432 60.821 61.300 -0.077 0.000 1.193 94 I CB 1.186 39.044 38.000 -0.237 0.000 1.345 94 I HN 0.331 nan 8.210 nan 0.000 0.461 95 M N 6.489 126.104 119.600 0.025 0.000 2.705 95 M HA 0.490 4.970 4.480 -0.000 0.000 0.311 95 M C -1.091 175.234 176.300 0.041 0.000 1.214 95 M CA -0.424 54.887 55.300 0.018 0.000 0.920 95 M CB 2.405 35.008 32.600 0.006 0.000 1.687 95 M HN 0.667 nan 8.290 nan 0.000 0.481 96 N N 0.458 119.175 118.700 0.029 0.000 2.604 96 N HA 0.458 5.198 4.740 -0.000 0.000 0.297 96 N C 0.553 176.075 175.510 0.020 0.000 1.266 96 N CA -0.838 52.234 53.050 0.036 0.000 0.961 96 N CB 1.096 39.599 38.487 0.026 0.000 1.166 96 N HN 0.467 nan 8.380 nan 0.000 0.601 97 V N 0.063 119.986 119.914 0.015 0.000 2.222 97 V HA -0.311 3.809 4.120 -0.000 0.000 0.252 97 V C 2.026 178.118 176.094 -0.004 0.000 1.060 97 V CA 2.372 64.672 62.300 -0.000 0.000 1.027 97 V CB -1.448 30.373 31.823 -0.003 0.000 0.644 97 V HN 0.801 nan 8.190 nan 0.000 0.448 98 I N -1.134 119.438 120.570 0.004 0.000 3.680 98 I HA 0.493 4.663 4.170 -0.000 0.000 0.306 98 I C 1.511 177.640 176.117 0.021 0.000 1.260 98 I CA 0.812 62.117 61.300 0.009 0.000 1.201 98 I CB -0.523 37.482 38.000 0.009 0.000 1.009 98 I HN 0.479 nan 8.210 nan 0.000 0.467 99 G N 1.018 109.830 108.800 0.020 0.000 2.241 99 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.244 99 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.244 99 G C 0.049 174.969 174.900 0.033 0.000 0.998 99 G CA 0.081 45.200 45.100 0.032 0.000 0.621 99 G HN 0.638 nan 8.290 nan 0.000 0.519 100 E N 2.742 122.958 120.200 0.026 0.000 2.414 100 E HA 0.290 4.640 4.350 -0.000 0.000 0.263 100 E C -2.128 174.478 176.600 0.010 0.000 1.000 100 E CA -1.187 55.226 56.400 0.021 0.000 0.914 100 E CB 0.722 30.431 29.700 0.014 0.000 0.948 100 E HN 0.290 nan 8.360 nan 0.000 0.444 101 P HA -0.016 nan 4.420 nan 0.000 0.268 101 P C 0.158 177.447 177.300 -0.019 0.000 1.205 101 P CA 0.517 63.612 63.100 -0.009 0.000 0.771 101 P CB 0.317 32.014 31.700 -0.006 0.000 0.858 102 I N -1.204 119.341 120.570 -0.041 0.000 3.597 102 I HA 0.288 4.458 4.170 -0.000 0.000 0.323 102 I C -0.195 175.861 176.117 -0.102 0.000 1.535 102 I CA -0.366 60.901 61.300 -0.055 0.000 1.028 102 I CB 0.215 38.188 38.000 -0.046 0.000 1.354 102 I HN 0.032 nan 8.210 nan 0.000 0.544 103 D N -0.150 120.191 120.400 -0.100 0.000 2.469 103 D HA 0.085 4.725 4.640 -0.000 0.000 0.215 103 D C 0.526 176.808 176.300 -0.030 0.000 1.154 103 D CA -0.187 53.738 54.000 -0.125 0.000 0.832 103 D CB 0.066 40.751 40.800 -0.192 0.000 1.008 103 D HN 0.416 nan 8.370 nan 0.000 0.506 104 E N -0.233 119.956 120.200 -0.018 0.000 2.971 104 E HA -0.251 4.099 4.350 -0.000 0.000 0.278 104 E C 0.166 176.775 176.600 0.014 0.000 1.009 104 E CA 0.354 56.756 56.400 0.003 0.000 0.862 104 E CB -0.954 28.753 29.700 0.012 0.000 1.436 104 E HN 0.410 nan 8.360 nan 0.000 0.434 105 R N 0.108 120.617 120.500 0.014 0.000 2.609 105 R HA 0.300 4.640 4.340 -0.000 0.000 0.326 105 R C 0.835 177.143 176.300 0.015 0.000 1.090 105 R CA 0.367 56.480 56.100 0.022 0.000 1.072 105 R CB 0.986 31.307 30.300 0.035 0.000 1.330 105 R HN 0.301 nan 8.270 nan 0.000 0.572 106 G N 2.181 110.988 108.800 0.011 0.000 2.587 106 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.212 106 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.212 106 G C -2.746 172.160 174.900 0.010 0.000 1.327 106 G CA -1.049 44.058 45.100 0.010 0.000 0.898 106 G HN 0.135 nan 8.290 nan 0.000 0.551 107 P HA 0.614 nan 4.420 nan 0.000 0.284 107 P C -0.322 176.987 177.300 0.015 0.000 1.258 107 P CA -0.590 62.521 63.100 0.019 0.000 0.824 107 P CB 0.975 32.690 31.700 0.026 0.000 1.038 108 I N 2.324 122.906 120.570 0.019 0.000 2.291 108 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 108 I C 0.748 176.867 176.117 0.003 0.000 1.064 108 I CA -0.268 61.030 61.300 -0.003 0.000 1.269 108 I CB 0.144 38.130 38.000 -0.023 0.000 1.418 108 I HN 0.045 nan 8.210 nan 0.000 0.485 109 K N 6.123 126.517 120.400 -0.009 0.000 2.229 109 K HA 0.259 4.579 4.320 -0.000 0.000 0.247 109 K C 0.030 176.596 176.600 -0.057 0.000 1.117 109 K CA -0.390 55.898 56.287 0.002 0.000 1.036 109 K CB 0.130 32.636 32.500 0.011 0.000 1.654 109 K HN 0.587 nan 8.250 nan 0.000 0.405 110 T N -1.063 113.405 114.554 -0.144 0.000 2.902 110 T HA 0.253 4.603 4.350 -0.000 0.000 0.280 110 T C 0.988 175.567 174.700 -0.203 0.000 0.992 110 T CA -0.902 61.027 62.100 -0.285 0.000 1.015 110 T CB 1.804 70.291 68.868 -0.635 0.000 1.044 110 T HN 0.267 nan 8.240 nan 0.000 0.520 111 K N 0.190 120.478 120.400 -0.186 0.000 2.020 111 K HA 0.092 4.412 4.320 -0.000 0.000 0.206 111 K C 0.538 177.082 176.600 -0.094 0.000 1.038 111 K CA 0.458 56.706 56.287 -0.065 0.000 0.947 111 K CB -0.098 32.385 32.500 -0.028 0.000 0.744 111 K HN 0.381 nan 8.250 nan 0.000 0.442 112 Q N 0.072 119.751 119.800 -0.202 0.000 2.259 112 Q HA 0.357 4.697 4.340 -0.000 0.000 0.246 112 Q C -0.962 174.745 176.000 -0.488 0.000 0.920 112 Q CA 0.078 55.786 55.803 -0.158 0.000 0.895 112 Q CB 0.685 29.398 28.738 -0.042 0.000 1.220 112 Q HN 0.011 nan 8.270 nan 0.000 0.439 113 F N 0.052 119.981 119.950 -0.036 0.000 2.598 113 F HA 0.854 5.381 4.527 -0.000 0.000 0.327 113 F C -0.220 175.564 175.800 -0.026 0.000 1.057 113 F CA -0.969 57.004 58.000 -0.045 0.000 0.957 113 F CB 1.869 40.852 39.000 -0.029 0.000 1.278 113 F HN 0.493 nan 8.300 nan 0.000 0.484 114 A N 0.821 123.728 122.820 0.145 0.000 2.520 114 A HA 0.820 5.140 4.320 -0.000 0.000 0.298 114 A C -1.248 176.379 177.584 0.072 0.000 1.051 114 A CA -0.671 51.416 52.037 0.084 0.000 0.690 114 A CB 0.956 19.977 19.000 0.035 0.000 1.281 114 A HN 1.032 nan 8.150 nan 0.000 0.402 115 A N 1.114 123.971 122.820 0.062 0.000 2.407 115 A HA 0.510 4.830 4.320 -0.000 0.000 0.248 115 A C 1.071 178.664 177.584 0.015 0.000 1.082 115 A CA 0.161 52.229 52.037 0.052 0.000 0.785 115 A CB -0.255 18.788 19.000 0.071 0.000 1.020 115 A HN 1.686 nan 8.150 nan 0.000 0.489 116 I N -1.392 119.158 120.570 -0.034 0.000 3.251 116 I HA 0.110 4.280 4.170 -0.000 0.000 0.277 116 I C 0.024 176.027 176.117 -0.191 0.000 1.268 116 I CA 0.330 61.552 61.300 -0.129 0.000 1.449 116 I CB -0.266 37.618 38.000 -0.193 0.000 1.083 116 I HN 0.452 nan 8.210 nan 0.000 0.464 117 H N 2.755 121.832 119.070 0.011 0.000 2.556 117 H HA 0.776 5.332 4.556 -0.000 0.000 0.310 117 H C -0.546 174.786 175.328 0.007 0.000 1.057 117 H CA -0.319 55.735 56.048 0.009 0.000 1.264 117 H CB 1.610 31.375 29.762 0.006 0.000 1.404 117 H HN 0.408 nan 8.280 nan 0.000 0.462 118 A N 3.520 126.414 122.820 0.123 0.000 2.539 118 A HA 0.380 4.700 4.320 -0.000 0.000 0.296 118 A C -0.363 177.254 177.584 0.055 0.000 1.073 118 A CA -0.874 51.205 52.037 0.070 0.000 0.700 118 A CB 1.765 20.788 19.000 0.039 0.000 1.296 118 A HN 0.666 nan 8.150 nan 0.000 0.405 119 E N 0.781 121.004 120.200 0.037 0.000 2.366 119 E HA 0.438 4.788 4.350 -0.000 0.000 0.266 119 E C 0.360 176.974 176.600 0.023 0.000 1.051 119 E CA -0.121 56.297 56.400 0.029 0.000 0.884 119 E CB 1.285 30.999 29.700 0.023 0.000 1.006 119 E HN 0.785 nan 8.360 nan 0.000 0.417 120 A N 4.192 127.026 122.820 0.022 0.000 2.407 120 A HA 0.269 4.589 4.320 -0.000 0.000 0.248 120 A C -2.088 175.506 177.584 0.017 0.000 1.082 120 A CA -1.256 50.790 52.037 0.016 0.000 0.785 120 A CB -0.363 18.648 19.000 0.019 0.000 1.020 120 A HN 0.352 nan 8.150 nan 0.000 0.489 121 P HA 0.032 nan 4.420 nan 0.000 0.263 121 P C -0.104 177.208 177.300 0.021 0.000 1.175 121 P CA 0.267 63.370 63.100 0.006 0.000 0.761 121 P CB 0.332 32.025 31.700 -0.012 0.000 0.794 122 E N 1.637 121.856 120.200 0.032 0.000 2.409 122 E HA -0.033 4.317 4.350 -0.000 0.000 0.257 122 E C 0.878 177.532 176.600 0.090 0.000 1.150 122 E CA -0.190 56.251 56.400 0.069 0.000 0.942 122 E CB 0.231 29.969 29.700 0.063 0.000 0.979 122 E HN 0.427 nan 8.360 nan 0.000 0.447 123 F N 1.972 121.920 119.950 -0.004 0.000 2.154 123 F HA -0.253 4.274 4.527 -0.000 0.000 0.301 123 F C 1.879 177.675 175.800 -0.006 0.000 1.087 123 F CA 1.781 59.778 58.000 -0.005 0.000 1.274 123 F CB -0.035 38.962 39.000 -0.005 0.000 1.009 123 F HN 0.274 nan 8.300 nan 0.000 0.485 124 V N -2.031 117.946 119.914 0.106 0.000 2.970 124 V HA -0.162 3.958 4.120 -0.000 0.000 0.260 124 V C 1.513 177.566 176.094 -0.067 0.000 1.100 124 V CA 1.772 64.082 62.300 0.017 0.000 1.122 124 V CB -1.052 30.814 31.823 0.071 0.000 0.721 124 V HN 0.419 nan 8.190 nan 0.000 0.483 125 E N -0.121 120.039 120.200 -0.067 0.000 2.478 125 E HA 0.129 4.479 4.350 -0.000 0.000 0.194 125 E C 0.579 177.110 176.600 -0.114 0.000 1.045 125 E CA -0.166 56.192 56.400 -0.070 0.000 0.868 125 E CB -0.055 29.622 29.700 -0.039 0.000 0.885 125 E HN 0.430 nan 8.360 nan 0.000 0.505 126 M N 1.148 120.628 119.600 -0.200 0.000 2.245 126 M HA 0.076 4.556 4.480 -0.000 0.000 0.330 126 M C 0.428 176.623 176.300 -0.175 0.000 1.098 126 M CA -0.010 55.159 55.300 -0.218 0.000 1.172 126 M CB 0.850 33.240 32.600 -0.350 0.000 1.467 126 M HN -0.143 nan 8.290 nan 0.000 0.454 127 S N 1.011 116.633 115.700 -0.130 0.000 2.532 127 S HA 0.696 5.166 4.470 -0.000 0.000 0.301 127 S C 0.180 174.727 174.600 -0.089 0.000 1.083 127 S CA -0.683 57.460 58.200 -0.095 0.000 1.025 127 S CB 1.144 64.304 63.200 -0.067 0.000 1.056 127 S HN 0.633 nan 8.310 nan 0.000 0.494 128 V N 0.185 120.056 119.914 -0.071 0.000 3.330 128 V HA 0.526 4.646 4.120 -0.000 0.000 0.309 128 V C -0.126 175.946 176.094 -0.037 0.000 1.481 128 V CA -0.440 61.826 62.300 -0.057 0.000 1.068 128 V CB -0.101 31.687 31.823 -0.059 0.000 0.935 128 V HN 0.691 nan 8.190 nan 0.000 0.453 129 E N 2.531 122.712 120.200 -0.033 0.000 2.316 129 E HA 0.410 4.760 4.350 -0.000 0.000 0.275 129 E C -0.441 176.150 176.600 -0.016 0.000 1.029 129 E CA 0.189 56.576 56.400 -0.021 0.000 0.871 129 E CB 0.960 30.650 29.700 -0.018 0.000 1.022 129 E HN 0.530 nan 8.360 nan 0.000 0.418 130 Q N 1.886 121.680 119.800 -0.009 0.000 2.333 130 Q HA 0.419 4.759 4.340 -0.000 0.000 0.267 130 Q C -0.555 175.449 176.000 0.007 0.000 1.012 130 Q CA -0.363 55.439 55.803 -0.001 0.000 0.824 130 Q CB 2.579 31.315 28.738 -0.002 0.000 1.290 130 Q HN 0.525 nan 8.270 nan 0.000 0.449 131 E N 2.926 123.136 120.200 0.017 0.000 2.307 131 E HA 0.295 4.645 4.350 -0.000 0.000 0.280 131 E C -1.180 175.446 176.600 0.042 0.000 0.900 131 E CA -0.476 55.939 56.400 0.026 0.000 0.790 131 E CB 1.944 31.657 29.700 0.021 0.000 1.261 131 E HN 0.664 nan 8.360 nan 0.000 0.405 132 I N 4.555 125.156 120.570 0.051 0.000 2.752 132 I HA 0.036 4.206 4.170 -0.000 0.000 0.287 132 I C -0.783 175.381 176.117 0.077 0.000 1.188 132 I CA -0.040 61.303 61.300 0.072 0.000 1.427 132 I CB 0.426 38.475 38.000 0.082 0.000 1.365 132 I HN 0.510 nan 8.210 nan 0.000 0.585 133 L N 8.852 130.134 121.223 0.098 0.000 2.324 133 L HA 0.396 4.736 4.340 -0.000 0.000 0.274 133 L C -0.854 176.066 176.870 0.084 0.000 1.012 133 L CA -0.350 54.550 54.840 0.099 0.000 0.859 133 L CB 1.188 43.325 42.059 0.130 0.000 1.224 133 L HN 0.314 nan 8.230 nan 0.000 0.429 134 V N 3.947 123.897 119.914 0.060 0.000 2.555 134 V HA 0.210 4.330 4.120 -0.000 0.000 0.286 134 V C 1.385 177.490 176.094 0.019 0.000 1.044 134 V CA 0.626 62.944 62.300 0.031 0.000 1.026 134 V CB 1.031 32.875 31.823 0.035 0.000 0.981 134 V HN 0.907 nan 8.190 nan 0.000 0.480 135 T N -0.174 114.365 114.554 -0.025 0.000 3.044 135 T HA 0.286 4.636 4.350 -0.000 0.000 0.260 135 T C 1.350 176.031 174.700 -0.031 0.000 1.019 135 T CA 0.575 62.659 62.100 -0.028 0.000 0.921 135 T CB 0.449 69.260 68.868 -0.095 0.000 1.053 135 T HN 1.469 nan 8.240 nan 0.000 0.533 136 G N 1.793 110.581 108.800 -0.020 0.000 2.155 136 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 136 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 136 G C -0.015 174.891 174.900 0.010 0.000 0.983 136 G CA 0.280 45.379 45.100 -0.002 0.000 0.676 136 G HN 0.686 nan 8.290 nan 0.000 0.528 137 I N 0.183 120.749 120.570 -0.007 0.000 2.336 137 I HA 0.260 4.430 4.170 -0.000 0.000 0.292 137 I C 1.579 177.710 176.117 0.024 0.000 0.991 137 I CA -0.886 60.448 61.300 0.056 0.000 1.227 137 I CB 1.412 39.448 38.000 0.061 0.000 1.366 137 I HN -0.041 nan 8.210 nan 0.000 0.466 138 K N 3.597 124.017 120.400 0.034 0.000 1.987 138 K HA -0.157 4.163 4.320 -0.000 0.000 0.216 138 K C 1.777 178.374 176.600 -0.005 0.000 1.051 138 K CA 1.558 57.855 56.287 0.017 0.000 0.942 138 K CB -0.206 32.273 32.500 -0.036 0.000 0.722 138 K HN 0.540 nan 8.250 nan 0.000 0.444 139 V N 1.336 121.247 119.914 -0.005 0.000 2.220 139 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 139 V C 2.419 178.483 176.094 -0.050 0.000 1.056 139 V CA 2.084 64.362 62.300 -0.036 0.000 1.016 139 V CB -1.020 30.812 31.823 0.014 0.000 0.639 139 V HN 0.090 nan 8.190 nan 0.000 0.446 140 V N 0.556 120.440 119.914 -0.050 0.000 2.220 140 V HA -0.341 3.779 4.120 -0.000 0.000 0.250 140 V C 2.386 178.411 176.094 -0.114 0.000 1.056 140 V CA 2.558 64.775 62.300 -0.138 0.000 1.016 140 V CB -0.960 30.643 31.823 -0.367 0.000 0.639 140 V HN 0.573 nan 8.190 nan 0.000 0.446 141 D N -0.520 119.820 120.400 -0.099 0.000 2.182 141 D HA -0.154 4.486 4.640 -0.000 0.000 0.201 141 D C 1.924 178.270 176.300 0.075 0.000 0.986 141 D CA 1.392 55.377 54.000 -0.024 0.000 0.847 141 D CB 0.011 40.793 40.800 -0.030 0.000 0.942 141 D HN 0.342 nan 8.370 nan 0.000 0.467 142 L N 0.278 121.505 121.223 0.006 0.000 2.013 142 L HA -0.026 4.314 4.340 -0.000 0.000 0.204 142 L C 2.244 179.197 176.870 0.138 0.000 1.081 142 L CA 1.322 56.177 54.840 0.025 0.000 0.751 142 L CB -0.511 41.410 42.059 -0.230 0.000 0.901 142 L HN -0.076 nan 8.230 nan 0.000 0.440 143 L N -0.729 120.485 121.223 -0.016 0.000 2.249 143 L HA 0.225 4.565 4.340 -0.000 0.000 0.207 143 L C 0.853 177.727 176.870 0.007 0.000 1.090 143 L CA 0.638 55.459 54.840 -0.033 0.000 0.802 143 L CB -0.410 41.600 42.059 -0.082 0.000 0.947 143 L HN 0.326 nan 8.230 nan 0.000 0.453 144 A N 0.174 123.013 122.820 0.031 0.000 3.370 144 A HA 0.455 4.775 4.320 -0.000 0.000 0.295 144 A C -2.574 175.074 177.584 0.107 0.000 1.030 144 A CA -1.058 51.026 52.037 0.077 0.000 0.883 144 A CB -0.252 18.816 19.000 0.113 0.000 1.191 144 A HN -0.137 nan 8.150 nan 0.000 0.507 145 P HA 0.008 nan 4.420 nan 0.000 0.266 145 P C -0.629 176.816 177.300 0.242 0.000 1.186 145 P CA 0.657 63.802 63.100 0.075 0.000 0.767 145 P CB 0.413 32.169 31.700 0.093 0.000 0.820 146 Y N 0.517 120.849 120.300 0.053 0.000 2.334 146 Y HA 0.541 5.091 4.550 -0.000 0.000 0.325 146 Y C 0.988 176.904 175.900 0.028 0.000 1.308 146 Y CA -1.658 56.465 58.100 0.038 0.000 1.389 146 Y CB 0.286 38.768 38.460 0.037 0.000 1.328 146 Y HN 0.411 nan 8.280 nan 0.000 0.532 147 A N 1.357 124.280 122.820 0.172 0.000 2.374 147 A HA 0.545 4.865 4.320 -0.000 0.000 0.317 147 A C -0.743 176.875 177.584 0.055 0.000 1.094 147 A CA -1.152 50.939 52.037 0.090 0.000 0.765 147 A CB 0.892 19.922 19.000 0.050 0.000 1.268 147 A HN 0.690 nan 8.150 nan 0.000 0.438 148 K N 0.778 121.204 120.400 0.044 0.000 2.447 148 K HA 0.349 4.669 4.320 -0.000 0.000 0.281 148 K C 1.038 177.634 176.600 -0.007 0.000 1.031 148 K CA 1.058 57.358 56.287 0.021 0.000 1.019 148 K CB 0.253 32.770 32.500 0.028 0.000 0.918 148 K HN 1.614 nan 8.250 nan 0.000 0.476 149 G N 2.074 110.854 108.800 -0.033 0.000 2.148 149 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.254 149 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.254 149 G C 0.426 175.291 174.900 -0.059 0.000 0.981 149 G CA 0.014 45.085 45.100 -0.049 0.000 0.670 149 G HN 0.868 nan 8.290 nan 0.000 0.528 150 G N -0.771 107.992 108.800 -0.061 0.000 2.511 150 G HA2 0.611 4.571 3.960 -0.000 0.000 0.316 150 G HA3 0.611 4.571 3.960 -0.000 0.000 0.316 150 G C -0.187 174.646 174.900 -0.111 0.000 1.210 150 G CA -0.803 44.257 45.100 -0.066 0.000 0.969 150 G HN 0.344 nan 8.290 nan 0.000 0.492 151 K N 0.181 120.519 120.400 -0.104 0.000 2.248 151 K HA 0.421 4.741 4.320 -0.000 0.000 0.281 151 K C -0.718 175.785 176.600 -0.162 0.000 1.054 151 K CA -0.063 56.145 56.287 -0.131 0.000 0.903 151 K CB 1.692 34.143 32.500 -0.082 0.000 1.077 151 K HN 0.262 nan 8.250 nan 0.000 0.474 152 I N 1.340 121.763 120.570 -0.246 0.000 2.433 152 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 152 I C 0.311 176.289 176.117 -0.232 0.000 1.001 152 I CA -0.813 60.285 61.300 -0.336 0.000 1.119 152 I CB 2.161 39.769 38.000 -0.654 0.000 1.289 152 I HN 0.621 nan 8.210 nan 0.000 0.438 153 G N 6.443 115.165 108.800 -0.130 0.000 2.470 153 G HA2 0.706 4.666 3.960 -0.000 0.000 0.320 153 G HA3 0.706 4.666 3.960 -0.000 0.000 0.320 153 G C -0.915 173.955 174.900 -0.051 0.000 1.245 153 G CA -0.505 44.508 45.100 -0.144 0.000 0.935 153 G HN 0.470 nan 8.290 nan 0.000 0.476 154 L N 2.577 123.719 121.223 -0.135 0.000 2.313 154 L HA 0.398 4.738 4.340 -0.000 0.000 0.273 154 L C -0.735 176.103 176.870 -0.053 0.000 1.028 154 L CA -0.619 54.237 54.840 0.028 0.000 0.871 154 L CB 0.516 42.617 42.059 0.070 0.000 1.242 154 L HN 0.314 nan 8.230 nan 0.000 0.434 155 F N 1.282 121.230 119.950 -0.004 0.000 2.389 155 F HA 0.723 5.250 4.527 0.000 0.000 0.337 155 F C 1.052 176.844 175.800 -0.014 0.000 1.112 155 F CA -0.384 57.592 58.000 -0.041 0.000 1.192 155 F CB 1.724 40.695 39.000 -0.047 0.000 1.185 155 F HN 0.402 nan 8.300 nan 0.000 0.552 156 G N 0.732 109.579 108.800 0.078 0.000 2.503 156 G HA2 0.471 4.431 3.960 -0.000 0.000 0.305 156 G HA3 0.471 4.431 3.960 -0.000 0.000 0.305 156 G C -0.625 174.195 174.900 -0.132 0.000 1.575 156 G CA -0.397 44.716 45.100 0.023 0.000 0.890 156 G HN 0.932 nan 8.290 nan 0.000 0.612 157 G N -0.114 108.587 108.800 -0.164 0.000 2.611 157 G HA2 0.655 4.615 3.960 -0.000 0.000 0.273 157 G HA3 0.655 4.615 3.960 -0.000 0.000 0.273 157 G C 0.832 175.644 174.900 -0.146 0.000 1.305 157 G CA 0.375 45.289 45.100 -0.311 0.000 1.010 157 G HN 1.776 nan 8.290 nan 0.000 0.509 158 A N -1.308 121.484 122.820 -0.046 0.000 2.522 158 A HA 0.513 4.833 4.320 -0.000 0.000 0.256 158 A C 1.558 179.203 177.584 0.101 0.000 1.086 158 A CA 1.117 53.258 52.037 0.174 0.000 0.763 158 A CB -0.582 18.559 19.000 0.236 0.000 1.024 158 A HN 2.545 nan 8.150 nan 0.000 0.502 159 G N 1.254 110.118 108.800 0.107 0.000 2.179 159 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.260 159 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.260 159 G C 0.705 175.651 174.900 0.077 0.000 0.977 159 G CA 0.503 45.646 45.100 0.072 0.000 0.641 159 G HN 1.263 nan 8.290 nan 0.000 0.533 160 V N -0.405 119.562 119.914 0.088 0.000 2.951 160 V HA 0.470 4.590 4.120 -0.000 0.000 0.255 160 V C 2.143 178.344 176.094 0.179 0.000 1.088 160 V CA 1.943 64.313 62.300 0.117 0.000 1.109 160 V CB 0.037 31.901 31.823 0.069 0.000 0.724 160 V HN 1.910 nan 8.190 nan 0.000 0.471 161 G N -0.102 108.786 108.800 0.146 0.000 2.240 161 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.181 161 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.181 161 G C 0.632 175.631 174.900 0.166 0.000 1.028 161 G CA 0.153 45.351 45.100 0.163 0.000 0.760 161 G HN 0.384 nan 8.290 nan 0.000 0.508 162 K N -0.027 120.458 120.400 0.141 0.000 2.026 162 K HA -0.018 4.302 4.320 -0.000 0.000 0.208 162 K C 2.362 179.046 176.600 0.141 0.000 1.048 162 K CA 1.770 58.139 56.287 0.138 0.000 0.929 162 K CB -0.222 32.345 32.500 0.113 0.000 0.713 162 K HN 0.220 nan 8.250 nan 0.000 0.439 163 T N 0.924 115.559 114.554 0.135 0.000 2.995 163 T HA -0.045 4.305 4.350 -0.000 0.000 0.269 163 T C 1.931 176.711 174.700 0.133 0.000 1.091 163 T CA 0.681 62.865 62.100 0.140 0.000 1.128 163 T CB 0.030 68.981 68.868 0.139 0.000 0.891 163 T HN -0.048 nan 8.240 nan 0.000 0.492 164 V N 1.141 121.140 119.914 0.141 0.000 2.488 164 V HA -0.011 4.109 4.120 -0.000 0.000 0.246 164 V C 2.263 178.460 176.094 0.171 0.000 1.046 164 V CA 0.872 63.273 62.300 0.169 0.000 1.053 164 V CB -0.385 31.552 31.823 0.189 0.000 0.679 164 V HN 0.322 nan 8.190 nan 0.000 0.458 165 L N -0.150 121.195 121.223 0.204 0.000 2.017 165 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 165 L C 2.191 179.111 176.870 0.083 0.000 1.073 165 L CA 1.924 56.863 54.840 0.166 0.000 0.745 165 L CB -0.600 41.607 42.059 0.246 0.000 0.894 165 L HN 0.167 nan 8.230 nan 0.000 0.432 166 I N -1.002 119.637 120.570 0.115 0.000 2.163 166 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 166 I C 2.393 178.510 176.117 0.001 0.000 1.085 166 I CA 1.368 62.731 61.300 0.105 0.000 1.347 166 I CB -0.253 37.842 38.000 0.158 0.000 1.044 166 I HN 0.342 nan 8.210 nan 0.000 0.408 167 M N -0.189 119.417 119.600 0.010 0.000 2.086 167 M HA -0.234 4.246 4.480 -0.000 0.000 0.261 167 M C 2.151 178.398 176.300 -0.089 0.000 1.067 167 M CA 1.641 56.913 55.300 -0.046 0.000 1.116 167 M CB -1.522 31.078 32.600 0.000 0.000 1.348 167 M HN 0.125 nan 8.290 nan 0.000 0.407 168 E N 0.876 121.008 120.200 -0.113 0.000 2.097 168 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 168 E C 2.037 178.522 176.600 -0.192 0.000 1.000 168 E CA 1.342 57.592 56.400 -0.249 0.000 0.804 168 E CB -0.414 28.891 29.700 -0.658 0.000 0.740 168 E HN 0.535 nan 8.360 nan 0.000 0.454 169 L N -0.119 121.042 121.223 -0.104 0.000 2.056 169 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 169 L C 2.528 179.401 176.870 0.005 0.000 1.078 169 L CA 1.001 55.852 54.840 0.019 0.000 0.749 169 L CB -0.439 41.736 42.059 0.194 0.000 0.901 169 L HN 0.193 nan 8.230 nan 0.000 0.433 170 I N 0.142 120.614 120.570 -0.163 0.000 2.208 170 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 170 I C 2.305 178.373 176.117 -0.082 0.000 1.097 170 I CA 1.763 62.907 61.300 -0.259 0.000 1.363 170 I CB -0.407 37.346 38.000 -0.411 0.000 1.051 170 I HN 0.393 nan 8.210 nan 0.000 0.413 171 N N 1.320 119.973 118.700 -0.077 0.000 2.051 171 N HA -0.192 4.548 4.740 -0.000 0.000 0.192 171 N C 1.528 177.029 175.510 -0.015 0.000 1.049 171 N CA 1.774 54.798 53.050 -0.043 0.000 0.845 171 N CB -0.060 38.393 38.487 -0.056 0.000 1.031 171 N HN 0.137 nan 8.380 nan 0.000 0.425 172 N N -0.817 117.865 118.700 -0.029 0.000 2.443 172 N HA -0.071 4.669 4.740 -0.000 0.000 0.184 172 N C 0.890 176.423 175.510 0.038 0.000 1.037 172 N CA 0.684 53.730 53.050 -0.007 0.000 0.896 172 N CB 0.170 38.630 38.487 -0.044 0.000 0.959 172 N HN 0.203 nan 8.380 nan 0.000 0.442 173 V N -0.759 119.200 119.914 0.075 0.000 3.134 173 V HA 0.255 4.375 4.120 -0.000 0.000 0.222 173 V C 2.009 178.199 176.094 0.159 0.000 1.247 173 V CA 0.680 63.054 62.300 0.123 0.000 1.281 173 V CB -0.875 31.050 31.823 0.171 0.000 1.169 173 V HN 0.123 nan 8.190 nan 0.000 0.512 174 A N 0.286 123.220 122.820 0.190 0.000 1.917 174 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 174 A C 2.140 179.841 177.584 0.195 0.000 1.182 174 A CA 2.386 54.561 52.037 0.229 0.000 0.633 174 A CB -0.538 18.594 19.000 0.220 0.000 0.819 174 A HN 0.517 nan 8.150 nan 0.000 0.448 175 K N -0.687 119.779 120.400 0.111 0.000 2.063 175 K HA -0.068 4.252 4.320 -0.000 0.000 0.208 175 K C 1.545 178.196 176.600 0.085 0.000 1.048 175 K CA 1.198 57.533 56.287 0.079 0.000 0.928 175 K CB -0.252 32.272 32.500 0.039 0.000 0.713 175 K HN 0.428 nan 8.250 nan 0.000 0.442 176 A N 1.281 124.158 122.820 0.094 0.000 2.579 176 A HA 0.004 4.324 4.320 -0.000 0.000 0.273 176 A C -0.376 177.276 177.584 0.113 0.000 1.363 176 A CA -0.189 51.894 52.037 0.076 0.000 0.953 176 A CB -0.625 18.411 19.000 0.060 0.000 1.034 176 A HN 0.262 nan 8.150 nan 0.000 0.536 177 H N -0.310 118.784 119.070 0.041 0.000 2.517 177 H HA 0.507 5.063 4.556 -0.000 0.000 0.317 177 H C 0.591 175.924 175.328 0.008 0.000 1.080 177 H CA -0.245 55.825 56.048 0.037 0.000 1.301 177 H CB 1.114 30.918 29.762 0.070 0.000 1.425 177 H HN 0.091 nan 8.280 nan 0.000 0.471 178 G N 3.560 112.052 108.800 -0.513 0.000 2.770 178 G HA2 0.519 4.479 3.960 -0.000 0.000 0.307 178 G HA3 0.519 4.479 3.960 -0.000 0.000 0.307 178 G C 0.120 174.517 174.900 -0.839 0.000 0.863 178 G CA 0.353 45.156 45.100 -0.494 0.000 1.595 178 G HN 1.011 nan 8.290 nan 0.000 0.496 179 G N 0.920 109.199 108.800 -0.868 0.000 2.356 179 G HA2 0.265 4.225 3.960 -0.000 0.000 0.266 179 G HA3 0.265 4.225 3.960 -0.000 0.000 0.266 179 G C -1.591 173.157 174.900 -0.255 0.000 1.312 179 G CA -0.912 43.797 45.100 -0.652 0.000 0.922 179 G HN 0.246 nan 8.290 nan 0.000 0.480 180 Y N 0.200 120.503 120.300 0.006 0.000 2.534 180 Y HA 0.855 5.405 4.550 -0.000 0.000 0.329 180 Y C 0.826 176.787 175.900 0.102 0.000 1.154 180 Y CA -1.253 56.793 58.100 -0.091 0.000 1.192 180 Y CB 2.016 40.112 38.460 -0.606 0.000 1.275 180 Y HN 0.544 nan 8.280 nan 0.000 0.491 181 S N 0.071 115.928 115.700 0.263 0.000 2.599 181 S HA 0.813 5.283 4.470 -0.000 0.000 0.287 181 S C -1.425 173.328 174.600 0.255 0.000 1.105 181 S CA -0.781 57.572 58.200 0.254 0.000 0.899 181 S CB 2.189 65.582 63.200 0.322 0.000 1.100 181 S HN 0.269 nan 8.310 nan 0.000 0.482 182 V N 2.335 122.409 119.914 0.266 0.000 2.623 182 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 182 V C -1.631 174.610 176.094 0.245 0.000 1.054 182 V CA -0.586 61.857 62.300 0.239 0.000 0.882 182 V CB 1.506 33.436 31.823 0.179 0.000 1.002 182 V HN 0.838 nan 8.190 nan 0.000 0.424 183 F N 4.179 124.189 119.950 0.100 0.000 2.445 183 F HA 0.812 5.339 4.527 -0.000 0.000 0.348 183 F C 0.214 175.934 175.800 -0.133 0.000 1.125 183 F CA -0.608 57.425 58.000 0.054 0.000 0.983 183 F CB 1.306 40.341 39.000 0.058 0.000 1.198 183 F HN 0.589 nan 8.300 nan 0.000 0.436 184 A N 4.298 126.864 122.820 -0.423 0.000 2.271 184 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 184 A C 0.085 177.399 177.584 -0.449 0.000 1.245 184 A CA -0.334 51.491 52.037 -0.353 0.000 0.857 184 A CB 0.344 19.198 19.000 -0.243 0.000 1.175 184 A HN 0.992 nan 8.150 nan 0.000 0.512 185 G N 1.319 109.771 108.800 -0.579 0.000 2.356 185 G HA2 0.506 4.466 3.960 -0.000 0.000 0.300 185 G HA3 0.506 4.466 3.960 -0.000 0.000 0.300 185 G C -0.639 174.214 174.900 -0.078 0.000 1.107 185 G CA -0.141 44.766 45.100 -0.323 0.000 0.960 185 G HN 0.763 nan 8.290 nan 0.000 0.418 186 V N 2.494 122.400 119.914 -0.013 0.000 2.407 186 V HA 0.633 4.753 4.120 -0.000 0.000 0.291 186 V C 1.104 177.228 176.094 0.049 0.000 1.018 186 V CA 0.220 62.529 62.300 0.014 0.000 0.842 186 V CB 0.992 32.810 31.823 -0.007 0.000 0.996 186 V HN 1.370 nan 8.190 nan 0.000 0.426 187 G N 3.208 112.039 108.800 0.052 0.000 2.212 187 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.267 187 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.267 187 G C 0.242 175.178 174.900 0.060 0.000 1.002 187 G CA 0.729 45.853 45.100 0.040 0.000 0.729 187 G HN 0.616 nan 8.290 nan 0.000 0.517 188 E N -0.599 119.664 120.200 0.105 0.000 2.819 188 E HA 0.426 4.776 4.350 -0.000 0.000 0.241 188 E C 0.813 177.480 176.600 0.111 0.000 0.987 188 E CA -0.944 55.523 56.400 0.112 0.000 1.024 188 E CB 0.419 30.207 29.700 0.148 0.000 1.448 188 E HN 0.372 nan 8.360 nan 0.000 0.484 189 R N 0.696 121.262 120.500 0.110 0.000 2.296 189 R HA 0.156 4.496 4.340 -0.000 0.000 0.323 189 R C 1.113 177.459 176.300 0.076 0.000 1.067 189 R CA 0.074 56.222 56.100 0.081 0.000 0.946 189 R CB 0.094 30.435 30.300 0.069 0.000 0.991 189 R HN 0.420 nan 8.270 nan 0.000 0.448 190 T N 3.114 117.691 114.554 0.039 0.000 2.699 190 T HA -0.228 4.122 4.350 -0.000 0.000 0.268 190 T C 1.678 176.356 174.700 -0.036 0.000 1.036 190 T CA 1.944 64.032 62.100 -0.019 0.000 1.147 190 T CB -0.122 68.732 68.868 -0.024 0.000 0.862 190 T HN 0.611 nan 8.240 nan 0.000 0.446 191 R N 1.938 122.438 120.500 -0.000 0.000 2.189 191 R HA 0.040 4.380 4.340 -0.000 0.000 0.223 191 R C 1.860 178.169 176.300 0.013 0.000 1.092 191 R CA 1.341 57.445 56.100 0.005 0.000 0.989 191 R CB -0.602 29.707 30.300 0.016 0.000 0.876 191 R HN 0.420 nan 8.270 nan 0.000 0.457 192 E N 0.464 120.681 120.200 0.030 0.000 2.107 192 E HA -0.035 4.315 4.350 -0.000 0.000 0.191 192 E C 2.090 178.696 176.600 0.010 0.000 0.982 192 E CA 0.974 57.403 56.400 0.049 0.000 0.809 192 E CB -0.177 29.584 29.700 0.101 0.000 0.756 192 E HN 0.636 nan 8.360 nan 0.000 0.459 193 G N 1.575 110.337 108.800 -0.063 0.000 2.421 193 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.216 193 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.216 193 G C 1.413 176.198 174.900 -0.192 0.000 1.171 193 G CA 1.128 46.027 45.100 -0.336 0.000 0.775 193 G HN 0.208 nan 8.290 nan 0.000 0.543 194 N N 0.909 119.553 118.700 -0.092 0.000 2.061 194 N HA -0.142 4.598 4.740 -0.000 0.000 0.193 194 N C 1.727 177.344 175.510 0.177 0.000 1.030 194 N CA 1.943 55.042 53.050 0.083 0.000 0.856 194 N CB -0.199 38.343 38.487 0.091 0.000 1.023 194 N HN 0.189 nan 8.380 nan 0.000 0.424 195 D N -0.087 120.360 120.400 0.079 0.000 2.123 195 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 195 D C 1.939 178.265 176.300 0.044 0.000 0.992 195 D CA 0.640 54.683 54.000 0.071 0.000 0.833 195 D CB -0.521 40.300 40.800 0.035 0.000 0.954 195 D HN 0.280 nan 8.370 nan 0.000 0.455 196 L N 0.073 121.289 121.223 -0.011 0.000 1.976 196 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 196 L C 2.303 179.161 176.870 -0.021 0.000 1.071 196 L CA 1.554 56.349 54.840 -0.074 0.000 0.746 196 L CB -1.034 40.908 42.059 -0.196 0.000 0.890 196 L HN -0.011 nan 8.230 nan 0.000 0.432 197 Y N 0.286 120.488 120.300 -0.164 0.000 2.102 197 Y HA -0.361 4.189 4.550 -0.000 0.000 0.280 197 Y C 2.678 178.422 175.900 -0.259 0.000 1.178 197 Y CA 2.469 60.431 58.100 -0.230 0.000 1.146 197 Y CB -0.769 37.497 38.460 -0.323 0.000 0.968 197 Y HN 0.504 nan 8.280 nan 0.000 0.504 198 H N -0.975 118.028 119.070 -0.111 0.000 2.428 198 H HA -0.057 4.499 4.556 -0.000 0.000 0.296 198 H C 2.272 177.513 175.328 -0.145 0.000 1.062 198 H CA 1.308 57.243 56.048 -0.188 0.000 1.350 198 H CB -0.106 29.590 29.762 -0.109 0.000 1.403 198 H HN 0.476 nan 8.280 nan 0.000 0.533 199 E N 0.793 120.992 120.200 -0.002 0.000 2.031 199 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 199 E C 1.914 178.476 176.600 -0.063 0.000 0.994 199 E CA 1.303 57.685 56.400 -0.031 0.000 0.800 199 E CB 0.017 29.696 29.700 -0.034 0.000 0.752 199 E HN 0.423 nan 8.360 nan 0.000 0.447 200 M N 0.232 119.781 119.600 -0.085 0.000 2.108 200 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 200 M C 2.387 178.624 176.300 -0.105 0.000 1.066 200 M CA 1.301 56.554 55.300 -0.079 0.000 1.107 200 M CB -0.357 32.212 32.600 -0.051 0.000 1.356 200 M HN 0.223 nan 8.290 nan 0.000 0.406 201 I N 0.043 120.500 120.570 -0.188 0.000 2.226 201 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 201 I C 2.554 178.607 176.117 -0.107 0.000 1.100 201 I CA 1.472 62.655 61.300 -0.195 0.000 1.374 201 I CB -0.460 37.347 38.000 -0.322 0.000 1.057 201 I HN 0.392 nan 8.210 nan 0.000 0.413 202 E N 0.886 121.036 120.200 -0.082 0.000 2.077 202 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 202 E C 2.259 178.834 176.600 -0.042 0.000 0.989 202 E CA 1.759 58.129 56.400 -0.050 0.000 0.800 202 E CB 0.039 29.717 29.700 -0.036 0.000 0.746 202 E HN 0.521 nan 8.360 nan 0.000 0.452 203 S N -1.171 114.504 115.700 -0.042 0.000 2.406 203 S HA 0.040 4.510 4.470 -0.000 0.000 0.228 203 S C 1.660 176.245 174.600 -0.026 0.000 1.020 203 S CA 1.049 59.231 58.200 -0.030 0.000 0.965 203 S CB 0.192 63.376 63.200 -0.027 0.000 0.798 203 S HN 0.545 nan 8.310 nan 0.000 0.488 204 G N 0.141 108.921 108.800 -0.034 0.000 2.179 204 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 204 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 204 G C 0.822 175.712 174.900 -0.016 0.000 0.990 204 G CA 0.446 45.530 45.100 -0.027 0.000 0.646 204 G HN 1.417 nan 8.290 nan 0.000 0.517 205 V N -1.402 118.504 119.914 -0.013 0.000 2.667 205 V HA 0.377 4.497 4.120 -0.000 0.000 0.252 205 V C 1.066 177.163 176.094 0.005 0.000 1.065 205 V CA 1.031 63.336 62.300 0.007 0.000 1.083 205 V CB -0.174 31.661 31.823 0.020 0.000 0.692 205 V HN 0.353 nan 8.190 nan 0.000 0.468 206 I N 2.872 123.431 120.570 -0.019 0.000 2.355 206 I HA 0.483 4.653 4.170 -0.000 0.000 0.288 206 I C -0.593 175.500 176.117 -0.041 0.000 0.999 206 I CA -0.096 61.193 61.300 -0.019 0.000 1.163 206 I CB 0.917 38.904 38.000 -0.022 0.000 1.316 206 I HN 0.274 nan 8.210 nan 0.000 0.454 207 N N 6.687 125.374 118.700 -0.021 0.000 2.408 207 N HA 0.353 5.093 4.740 -0.000 0.000 0.280 207 N C 0.247 175.747 175.510 -0.016 0.000 1.002 207 N CA -0.392 52.644 53.050 -0.023 0.000 0.907 207 N CB 1.946 40.425 38.487 -0.012 0.000 1.161 207 N HN 0.522 nan 8.380 nan 0.000 0.488 208 L N 2.462 123.671 121.223 -0.023 0.000 2.592 208 L HA 0.151 4.491 4.340 -0.000 0.000 0.227 208 L C 1.421 178.290 176.870 -0.001 0.000 1.127 208 L CA 0.320 55.155 54.840 -0.008 0.000 0.884 208 L CB 0.044 42.093 42.059 -0.016 0.000 1.065 208 L HN 0.413 nan 8.230 nan 0.000 0.457 209 K N -0.916 119.482 120.400 -0.004 0.000 2.639 209 K HA 0.210 4.530 4.320 -0.000 0.000 0.242 209 K C -0.032 176.568 176.600 -0.000 0.000 1.386 209 K CA -0.295 55.991 56.287 -0.001 0.000 0.780 209 K CB 0.048 32.546 32.500 -0.003 0.000 1.790 209 K HN -0.010 nan 8.250 nan 0.000 0.369 210 D N 2.343 122.742 120.400 -0.001 0.000 2.488 210 D HA 0.053 4.693 4.640 -0.000 0.000 0.238 210 D C -0.138 176.163 176.300 0.002 0.000 1.138 210 D CA 0.308 54.309 54.000 0.001 0.000 0.873 210 D CB 0.855 41.655 40.800 0.000 0.000 1.183 210 D HN 0.237 nan 8.370 nan 0.000 0.458 211 A N 2.310 125.133 122.820 0.004 0.000 3.026 211 A HA 0.192 4.512 4.320 -0.000 0.000 0.272 211 A C 1.061 178.650 177.584 0.008 0.000 1.782 211 A CA -0.253 51.786 52.037 0.003 0.000 1.451 211 A CB -0.630 18.373 19.000 0.006 0.000 1.081 211 A HN 0.544 nan 8.150 nan 0.000 0.611 212 T N -2.814 111.744 114.554 0.005 0.000 3.111 212 T HA 0.213 4.563 4.350 -0.000 0.000 0.284 212 T C 0.509 175.216 174.700 0.013 0.000 0.983 212 T CA -0.028 62.081 62.100 0.016 0.000 0.900 212 T CB -0.072 68.803 68.868 0.013 0.000 1.132 212 T HN 0.265 nan 8.240 nan 0.000 0.531 213 S N 2.080 117.775 115.700 -0.009 0.000 2.537 213 S HA 0.265 4.735 4.470 -0.000 0.000 0.286 213 S C 0.816 175.390 174.600 -0.043 0.000 1.299 213 S CA -0.233 57.957 58.200 -0.017 0.000 1.067 213 S CB 0.773 63.961 63.200 -0.021 0.000 0.864 213 S HN 0.254 nan 8.310 nan 0.000 0.494 214 K N 1.724 122.128 120.400 0.007 0.000 2.374 214 K HA 0.312 4.632 4.320 -0.000 0.000 0.202 214 K C -0.753 175.874 176.600 0.044 0.000 1.040 214 K CA 0.155 56.478 56.287 0.060 0.000 1.085 214 K CB 0.859 33.449 32.500 0.151 0.000 0.873 214 K HN 0.376 nan 8.250 nan 0.000 0.539 215 V N 0.546 120.475 119.914 0.025 0.000 2.735 215 V HA 0.746 4.866 4.120 -0.000 0.000 0.310 215 V C -0.812 175.326 176.094 0.072 0.000 1.061 215 V CA -1.475 60.875 62.300 0.084 0.000 0.913 215 V CB 1.814 33.711 31.823 0.123 0.000 1.005 215 V HN 0.063 nan 8.190 nan 0.000 0.428 216 A N 4.836 127.733 122.820 0.128 0.000 2.330 216 A HA 0.927 5.247 4.320 -0.000 0.000 0.327 216 A C -0.978 176.703 177.584 0.163 0.000 1.155 216 A CA -0.552 51.568 52.037 0.138 0.000 0.803 216 A CB 0.915 20.033 19.000 0.198 0.000 1.208 216 A HN 0.784 nan 8.150 nan 0.000 0.477 217 L N 2.360 123.667 121.223 0.141 0.000 2.346 217 L HA 0.697 5.037 4.340 -0.000 0.000 0.276 217 L C -0.987 175.954 176.870 0.118 0.000 1.006 217 L CA -0.979 53.967 54.840 0.175 0.000 0.817 217 L CB 1.887 44.100 42.059 0.257 0.000 1.272 217 L HN 0.414 nan 8.230 nan 0.000 0.421 218 V N 2.578 122.510 119.914 0.031 0.000 2.638 218 V HA 0.507 4.627 4.120 -0.000 0.000 0.306 218 V C -1.350 174.670 176.094 -0.124 0.000 1.052 218 V CA -0.670 61.628 62.300 -0.003 0.000 0.885 218 V CB 1.964 33.765 31.823 -0.037 0.000 0.999 218 V HN 0.478 nan 8.190 nan 0.000 0.424 219 Y N 1.362 121.681 120.300 0.032 0.000 2.470 219 Y HA 0.731 5.281 4.550 -0.000 0.000 0.341 219 Y C 0.442 176.353 175.900 0.018 0.000 1.021 219 Y CA -0.596 57.529 58.100 0.041 0.000 1.025 219 Y CB 2.886 41.361 38.460 0.027 0.000 1.266 219 Y HN 0.727 nan 8.280 nan 0.000 0.448 220 G N 3.729 112.632 108.800 0.172 0.000 3.446 220 G HA2 0.335 4.295 3.960 -0.000 0.000 0.314 220 G HA3 0.335 4.295 3.960 -0.000 0.000 0.314 220 G C -0.954 174.010 174.900 0.107 0.000 1.539 220 G CA -0.509 44.651 45.100 0.101 0.000 0.848 220 G HN 0.295 nan 8.290 nan 0.000 0.488 221 Q N 0.997 120.875 119.800 0.131 0.000 2.179 221 Q HA 0.277 4.617 4.340 -0.000 0.000 0.174 221 Q C 2.210 178.245 176.000 0.059 0.000 1.044 221 Q CA -0.676 55.198 55.803 0.118 0.000 1.105 221 Q CB 0.444 29.261 28.738 0.130 0.000 1.213 221 Q HN 0.681 nan 8.270 nan 0.000 0.574 222 M N -0.936 118.693 119.600 0.048 0.000 2.629 222 M HA -0.070 4.410 4.480 -0.000 0.000 0.257 222 M C 0.875 177.183 176.300 0.014 0.000 1.071 222 M CA 1.804 57.118 55.300 0.022 0.000 1.077 222 M CB -0.912 31.698 32.600 0.016 0.000 1.423 222 M HN 0.517 nan 8.290 nan 0.000 0.508 223 N N 0.215 118.926 118.700 0.018 0.000 2.398 223 N HA 0.043 4.783 4.740 -0.000 0.000 0.188 223 N C -0.315 175.199 175.510 0.007 0.000 1.122 223 N CA -0.152 52.904 53.050 0.010 0.000 0.866 223 N CB 0.173 38.665 38.487 0.009 0.000 0.970 223 N HN 0.305 nan 8.380 nan 0.000 0.462 224 E N 2.006 122.211 120.200 0.009 0.000 2.231 224 E HA 0.268 4.618 4.350 -0.000 0.000 0.277 224 E C -2.249 174.345 176.600 -0.009 0.000 0.999 224 E CA -2.258 54.144 56.400 0.002 0.000 0.827 224 E CB 1.170 30.875 29.700 0.008 0.000 1.101 224 E HN 0.175 nan 8.360 nan 0.000 0.393 225 P HA -0.012 nan 4.420 nan 0.000 0.269 225 P C -1.971 175.310 177.300 -0.032 0.000 1.211 225 P CA -0.877 62.211 63.100 -0.020 0.000 0.781 225 P CB 0.123 31.814 31.700 -0.016 0.000 0.877 226 P HA -0.194 nan 4.420 nan 0.000 0.215 226 P C 1.712 178.965 177.300 -0.077 0.000 1.157 226 P CA 2.109 65.171 63.100 -0.064 0.000 0.874 226 P CB -0.770 30.892 31.700 -0.064 0.000 0.790 227 G N 0.271 109.036 108.800 -0.059 0.000 2.442 227 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 227 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 227 G C 1.775 176.641 174.900 -0.056 0.000 1.141 227 G CA 1.213 46.279 45.100 -0.058 0.000 0.763 227 G HN 0.401 nan 8.290 nan 0.000 0.554 228 A N 0.436 123.232 122.820 -0.040 0.000 1.929 228 A HA 0.129 4.449 4.320 -0.000 0.000 0.216 228 A C 2.437 179.998 177.584 -0.038 0.000 1.176 228 A CA 1.349 53.369 52.037 -0.029 0.000 0.628 228 A CB -0.261 18.732 19.000 -0.012 0.000 0.816 228 A HN 0.342 nan 8.150 nan 0.000 0.444 229 R N -0.470 119.999 120.500 -0.051 0.000 2.115 229 R HA 0.041 4.381 4.340 -0.000 0.000 0.226 229 R C 2.272 178.511 176.300 -0.102 0.000 1.100 229 R CA 0.971 57.039 56.100 -0.054 0.000 0.980 229 R CB -0.338 29.929 30.300 -0.055 0.000 0.875 229 R HN 0.474 nan 8.270 nan 0.000 0.445 230 A N 0.691 123.408 122.820 -0.172 0.000 2.121 230 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 230 A C 1.756 179.185 177.584 -0.258 0.000 1.154 230 A CA 1.038 52.864 52.037 -0.351 0.000 0.679 230 A CB 0.002 18.771 19.000 -0.385 0.000 0.795 230 A HN 0.065 nan 8.150 nan 0.000 0.458 231 R N -0.849 119.590 120.500 -0.102 0.000 2.307 231 R HA 0.082 4.422 4.340 -0.000 0.000 0.200 231 R C 1.891 178.182 176.300 -0.015 0.000 0.893 231 R CA 1.123 57.195 56.100 -0.047 0.000 1.042 231 R CB -0.648 29.617 30.300 -0.058 0.000 1.059 231 R HN 0.473 nan 8.270 nan 0.000 0.530 232 V N 0.269 120.179 119.914 -0.006 0.000 2.324 232 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 232 V C 2.472 178.560 176.094 -0.010 0.000 1.060 232 V CA 2.079 64.375 62.300 -0.008 0.000 1.042 232 V CB -1.372 30.448 31.823 -0.005 0.000 0.650 232 V HN 0.174 nan 8.190 nan 0.000 0.450 233 A N 0.403 123.247 122.820 0.040 0.000 2.024 233 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 233 A C 2.247 179.811 177.584 -0.034 0.000 1.164 233 A CA 2.020 54.058 52.037 0.002 0.000 0.643 233 A CB -0.590 18.441 19.000 0.052 0.000 0.806 233 A HN 0.587 nan 8.150 nan 0.000 0.451 234 L N -1.206 120.014 121.223 -0.004 0.000 2.109 234 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 234 L C 2.663 179.484 176.870 -0.081 0.000 1.086 234 L CA 1.621 56.426 54.840 -0.059 0.000 0.760 234 L CB -1.047 40.947 42.059 -0.108 0.000 0.910 234 L HN 0.310 nan 8.230 nan 0.000 0.437 235 T N -0.088 114.423 114.554 -0.071 0.000 2.821 235 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 235 T C 1.864 176.527 174.700 -0.061 0.000 1.046 235 T CA 1.329 63.392 62.100 -0.063 0.000 1.139 235 T CB -0.407 68.433 68.868 -0.046 0.000 0.871 235 T HN 0.536 nan 8.240 nan 0.000 0.454 236 G N 1.570 110.331 108.800 -0.065 0.000 2.404 236 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.215 236 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.215 236 G C 1.476 176.337 174.900 -0.064 0.000 1.174 236 G CA 0.345 45.404 45.100 -0.068 0.000 0.780 236 G HN 0.307 nan 8.290 nan 0.000 0.537 237 L N 1.342 122.518 121.223 -0.078 0.000 1.971 237 L HA -0.095 4.245 4.340 -0.000 0.000 0.215 237 L C 3.026 179.860 176.870 -0.060 0.000 1.072 237 L CA 2.497 57.292 54.840 -0.075 0.000 0.758 237 L CB -1.342 40.665 42.059 -0.086 0.000 0.889 237 L HN 0.225 nan 8.230 nan 0.000 0.433 238 T N -0.892 113.624 114.554 -0.063 0.000 2.665 238 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 238 T C 2.028 176.680 174.700 -0.079 0.000 1.035 238 T CA 1.852 63.918 62.100 -0.058 0.000 1.151 238 T CB -0.496 68.337 68.868 -0.058 0.000 0.862 238 T HN 0.208 nan 8.240 nan 0.000 0.438 239 V N 1.639 121.489 119.914 -0.106 0.000 2.332 239 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 239 V C 2.838 178.815 176.094 -0.195 0.000 1.055 239 V CA 1.788 63.973 62.300 -0.193 0.000 1.038 239 V CB -1.214 30.530 31.823 -0.131 0.000 0.651 239 V HN 0.566 nan 8.190 nan 0.000 0.450 240 A N -0.268 122.524 122.820 -0.046 0.000 1.930 240 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 240 A C 2.146 179.754 177.584 0.040 0.000 1.175 240 A CA 1.744 53.815 52.037 0.057 0.000 0.627 240 A CB -0.437 18.586 19.000 0.039 0.000 0.815 240 A HN 0.636 nan 8.150 nan 0.000 0.443 241 E N -1.455 118.740 120.200 -0.008 0.000 2.085 241 E HA -0.242 4.108 4.350 -0.000 0.000 0.194 241 E C 1.847 178.445 176.600 -0.003 0.000 0.994 241 E CA 1.561 57.958 56.400 -0.005 0.000 0.801 241 E CB -0.407 29.284 29.700 -0.015 0.000 0.743 241 E HN 0.775 nan 8.360 nan 0.000 0.453 242 Y N 0.769 120.963 120.300 -0.176 0.000 2.081 242 Y HA -0.293 4.257 4.550 -0.000 0.000 0.280 242 Y C 1.854 177.693 175.900 -0.102 0.000 1.163 242 Y CA 1.710 59.686 58.100 -0.206 0.000 1.135 242 Y CB -0.346 37.903 38.460 -0.352 0.000 0.970 242 Y HN -0.046 nan 8.280 nan 0.000 0.498 243 F N 0.263 120.369 119.950 0.261 0.000 2.269 243 F HA -0.115 4.412 4.527 -0.000 0.000 0.301 243 F C 2.681 178.503 175.800 0.037 0.000 1.082 243 F CA 1.592 59.710 58.000 0.195 0.000 1.360 243 F CB -0.936 38.244 39.000 0.300 0.000 1.041 243 F HN 0.051 nan 8.300 nan 0.000 0.512 244 R N 0.451 121.051 120.500 0.167 0.000 2.062 244 R HA -0.123 4.217 4.340 -0.000 0.000 0.231 244 R C 1.560 177.858 176.300 -0.003 0.000 1.136 244 R CA 2.055 58.198 56.100 0.072 0.000 0.948 244 R CB -0.234 30.089 30.300 0.038 0.000 0.845 244 R HN 0.161 nan 8.270 nan 0.000 0.430 245 D N 0.383 120.749 120.400 -0.057 0.000 2.355 245 D HA -0.062 4.578 4.640 -0.000 0.000 0.233 245 D C 1.017 177.214 176.300 -0.171 0.000 0.997 245 D CA 0.581 54.524 54.000 -0.095 0.000 0.920 245 D CB -0.443 40.304 40.800 -0.088 0.000 1.063 245 D HN 0.153 nan 8.370 nan 0.000 0.465 246 Q N 0.860 120.457 119.800 -0.339 0.000 2.294 246 Q HA 0.053 4.393 4.340 -0.000 0.000 0.207 246 Q C 0.209 175.912 176.000 -0.495 0.000 0.887 246 Q CA 0.594 56.070 55.803 -0.544 0.000 0.987 246 Q CB 0.186 28.298 28.738 -1.045 0.000 1.101 246 Q HN 0.540 nan 8.270 nan 0.000 0.447 247 E N -1.495 118.579 120.200 -0.209 0.000 1.631 247 E HA 0.064 4.414 4.350 -0.000 0.000 0.211 247 E C 0.231 176.811 176.600 -0.034 0.000 1.030 247 E CA 0.416 56.775 56.400 -0.068 0.000 1.203 247 E CB -0.175 29.561 29.700 0.060 0.000 4.325 247 E HN 0.371 nan 8.360 nan 0.000 0.835 248 G N 2.605 111.384 108.800 -0.035 0.000 2.298 248 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.287 248 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.287 248 G C -0.180 174.710 174.900 -0.018 0.000 1.075 248 G CA 0.871 45.956 45.100 -0.025 0.000 0.960 248 G HN 0.066 nan 8.290 nan 0.000 0.502 249 Q N -0.134 119.669 119.800 0.006 0.000 2.204 249 Q HA 0.448 4.788 4.340 -0.000 0.000 0.254 249 Q C -0.283 175.726 176.000 0.016 0.000 0.981 249 Q CA -0.693 55.093 55.803 -0.029 0.000 0.897 249 Q CB 1.065 29.757 28.738 -0.078 0.000 1.273 249 Q HN 0.346 nan 8.270 nan 0.000 0.464 250 D N 0.943 121.355 120.400 0.019 0.000 2.316 250 D HA 0.231 4.871 4.640 -0.000 0.000 0.245 250 D C -0.395 176.012 176.300 0.179 0.000 1.171 250 D CA -0.098 53.962 54.000 0.100 0.000 0.856 250 D CB 0.975 41.860 40.800 0.141 0.000 1.090 250 D HN 0.055 nan 8.370 nan 0.000 0.476 251 V N 3.182 123.159 119.914 0.105 0.000 2.644 251 V HA 0.341 4.461 4.120 -0.000 0.000 0.295 251 V C 0.527 176.564 176.094 -0.095 0.000 1.053 251 V CA -0.731 61.627 62.300 0.097 0.000 0.987 251 V CB 1.581 33.489 31.823 0.141 0.000 1.006 251 V HN 0.355 nan 8.190 nan 0.000 0.472 252 L N 4.461 125.581 121.223 -0.172 0.000 2.333 252 L HA 0.563 4.903 4.340 -0.000 0.000 0.280 252 L C -1.042 175.681 176.870 -0.246 0.000 1.004 252 L CA -0.595 54.043 54.840 -0.336 0.000 0.820 252 L CB 1.722 43.558 42.059 -0.371 0.000 1.247 252 L HN 0.445 nan 8.230 nan 0.000 0.416 253 L N 4.241 125.208 121.223 -0.428 0.000 2.376 253 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 253 L C -1.495 175.024 176.870 -0.584 0.000 0.987 253 L CA 0.024 54.670 54.840 -0.323 0.000 0.828 253 L CB 1.292 43.218 42.059 -0.221 0.000 1.249 253 L HN 0.207 nan 8.230 nan 0.000 0.409 254 F N 6.084 125.907 119.950 -0.211 0.000 2.449 254 F HA 0.603 5.130 4.527 -0.000 0.000 0.342 254 F C -0.106 175.307 175.800 -0.645 0.000 1.127 254 F CA -0.459 57.330 58.000 -0.353 0.000 0.975 254 F CB 1.501 40.334 39.000 -0.278 0.000 1.146 254 F HN 0.229 nan 8.300 nan 0.000 0.444 255 I N 3.047 123.409 120.570 -0.347 0.000 2.418 255 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 255 I C -1.175 174.777 176.117 -0.275 0.000 1.008 255 I CA -0.568 60.504 61.300 -0.380 0.000 1.104 255 I CB 1.837 39.684 38.000 -0.255 0.000 1.264 255 I HN 0.388 nan 8.210 nan 0.000 0.438 256 D N 6.844 127.082 120.400 -0.269 0.000 2.469 256 D HA 0.290 4.930 4.640 -0.000 0.000 0.251 256 D C -1.282 175.019 176.300 0.001 0.000 1.173 256 D CA -0.204 53.767 54.000 -0.048 0.000 0.882 256 D CB 1.096 41.949 40.800 0.089 0.000 1.129 256 D HN 0.482 nan 8.370 nan 0.000 0.549 257 N N 4.715 123.427 118.700 0.020 0.000 2.478 257 N HA 0.099 4.839 4.740 -0.000 0.000 0.291 257 N C 0.257 175.796 175.510 0.047 0.000 1.090 257 N CA -0.467 52.611 53.050 0.047 0.000 0.911 257 N CB 1.445 40.008 38.487 0.127 0.000 1.546 257 N HN 0.227 nan 8.380 nan 0.000 0.500 258 I N 3.994 124.559 120.570 -0.007 0.000 2.756 258 I HA -0.039 4.131 4.170 -0.000 0.000 0.262 258 I C 1.601 177.758 176.117 0.067 0.000 1.225 258 I CA 0.496 61.775 61.300 -0.035 0.000 1.472 258 I CB -0.767 37.139 38.000 -0.156 0.000 1.094 258 I HN 0.614 nan 8.210 nan 0.000 0.454 259 F N 1.409 121.359 119.950 0.000 0.000 2.269 259 F HA -0.166 4.361 4.527 -0.000 0.000 0.301 259 F C 2.262 178.130 175.800 0.114 0.000 1.082 259 F CA 1.349 59.391 58.000 0.071 0.000 1.360 259 F CB -0.311 38.765 39.000 0.127 0.000 1.041 259 F HN -0.028 nan 8.300 nan 0.000 0.512 260 R N -0.181 120.280 120.500 -0.066 0.000 2.189 260 R HA -0.177 4.163 4.340 -0.000 0.000 0.223 260 R C 2.153 178.363 176.300 -0.150 0.000 1.092 260 R CA 1.194 57.184 56.100 -0.184 0.000 0.989 260 R CB -1.538 28.747 30.300 -0.025 0.000 0.876 260 R HN 0.451 nan 8.270 nan 0.000 0.457 261 F N 1.942 121.774 119.950 -0.197 0.000 2.069 261 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 261 F C 2.057 177.747 175.800 -0.184 0.000 1.113 261 F CA 1.901 59.806 58.000 -0.159 0.000 1.214 261 F CB -0.384 38.538 39.000 -0.130 0.000 0.978 261 F HN -0.111 nan 8.300 nan 0.000 0.474 262 T N 0.048 114.637 114.554 0.058 0.000 2.777 262 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 262 T C 1.888 176.494 174.700 -0.157 0.000 1.040 262 T CA 1.465 63.557 62.100 -0.013 0.000 1.141 262 T CB -0.377 68.517 68.868 0.043 0.000 0.868 262 T HN 0.458 nan 8.240 nan 0.000 0.444 263 Q N 0.779 120.321 119.800 -0.429 0.000 2.050 263 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 263 Q C 2.508 178.387 176.000 -0.202 0.000 0.980 263 Q CA 1.486 57.082 55.803 -0.346 0.000 0.840 263 Q CB -0.324 28.024 28.738 -0.649 0.000 0.898 263 Q HN 0.509 nan 8.270 nan 0.000 0.424 264 A N 0.721 123.405 122.820 -0.227 0.000 1.892 264 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 264 A C 2.322 179.797 177.584 -0.182 0.000 1.188 264 A CA 1.820 53.746 52.037 -0.185 0.000 0.631 264 A CB -1.557 17.319 19.000 -0.206 0.000 0.822 264 A HN 0.630 nan 8.150 nan 0.000 0.447 265 G N -0.903 107.749 108.800 -0.247 0.000 2.450 265 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 265 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 265 G C 1.789 176.640 174.900 -0.080 0.000 1.130 265 G CA 1.368 46.346 45.100 -0.203 0.000 0.760 265 G HN 0.497 nan 8.290 nan 0.000 0.557 266 S N 0.580 116.262 115.700 -0.031 0.000 2.368 266 S HA -0.091 4.379 4.470 -0.000 0.000 0.225 266 S C 2.186 176.765 174.600 -0.035 0.000 1.030 266 S CA 1.498 59.702 58.200 0.007 0.000 0.999 266 S CB -0.216 62.980 63.200 -0.006 0.000 0.844 266 S HN 0.641 nan 8.310 nan 0.000 0.459 267 E N 0.764 120.929 120.200 -0.058 0.000 2.110 267 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 267 E C 2.285 178.858 176.600 -0.045 0.000 0.988 267 E CA 1.508 57.877 56.400 -0.053 0.000 0.804 267 E CB -0.326 29.339 29.700 -0.059 0.000 0.745 267 E HN 0.582 nan 8.360 nan 0.000 0.458 268 V N -1.282 118.600 119.914 -0.054 0.000 2.591 268 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 268 V C 2.312 178.387 176.094 -0.030 0.000 1.053 268 V CA 1.606 63.880 62.300 -0.043 0.000 1.068 268 V CB -0.115 31.674 31.823 -0.056 0.000 0.689 268 V HN 0.154 nan 8.190 nan 0.000 0.462 269 S N 1.237 116.921 115.700 -0.027 0.000 2.387 269 S HA -0.215 4.255 4.470 -0.000 0.000 0.230 269 S C 2.158 176.755 174.600 -0.004 0.000 1.035 269 S CA 2.127 60.320 58.200 -0.011 0.000 1.014 269 S CB -0.658 62.545 63.200 0.006 0.000 0.836 269 S HN 1.039 nan 8.310 nan 0.000 0.466 270 A N 1.349 124.164 122.820 -0.008 0.000 1.883 270 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 270 A C 2.183 179.764 177.584 -0.006 0.000 1.186 270 A CA 1.654 53.687 52.037 -0.006 0.000 0.624 270 A CB -0.849 18.143 19.000 -0.013 0.000 0.822 270 A HN 0.599 nan 8.150 nan 0.000 0.444 271 L N -0.611 120.606 121.223 -0.010 0.000 2.291 271 L HA -0.035 4.305 4.340 -0.000 0.000 0.214 271 L C 2.026 178.893 176.870 -0.004 0.000 1.120 271 L CA 0.359 55.195 54.840 -0.007 0.000 0.799 271 L CB -0.392 41.661 42.059 -0.010 0.000 0.925 271 L HN 0.321 nan 8.230 nan 0.000 0.446 272 L N 0.157 121.378 121.223 -0.005 0.000 2.552 272 L HA 0.069 4.409 4.340 -0.000 0.000 0.227 272 L C 1.187 178.059 176.870 0.002 0.000 1.146 272 L CA 0.523 55.362 54.840 -0.002 0.000 0.858 272 L CB -0.608 41.448 42.059 -0.006 0.000 0.969 272 L HN 0.512 nan 8.230 nan 0.000 0.451 273 G N 1.183 109.985 108.800 0.003 0.000 2.248 273 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.263 273 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.263 273 G C -0.058 174.847 174.900 0.008 0.000 1.082 273 G CA -0.237 44.866 45.100 0.006 0.000 0.863 273 G HN 0.322 nan 8.290 nan 0.000 0.495 274 R N -0.796 119.709 120.500 0.009 0.000 2.460 274 R HA 0.642 4.982 4.340 -0.000 0.000 0.303 274 R C 0.963 177.273 176.300 0.016 0.000 0.968 274 R CA -0.860 55.247 56.100 0.013 0.000 0.889 274 R CB 1.048 31.357 30.300 0.014 0.000 1.123 274 R HN 0.317 nan 8.270 nan 0.000 0.455 275 I N 5.615 126.196 120.570 0.018 0.000 2.556 275 I HA 0.112 4.282 4.170 -0.000 0.000 0.284 275 I C -1.596 174.539 176.117 0.029 0.000 1.114 275 I CA -1.501 59.812 61.300 0.021 0.000 1.418 275 I CB 0.497 38.509 38.000 0.020 0.000 1.394 275 I HN 0.350 nan 8.210 nan 0.000 0.552 276 P HA 0.117 nan 4.420 nan 0.000 0.274 276 P C -0.389 176.944 177.300 0.055 0.000 1.237 276 P CA -0.302 62.824 63.100 0.044 0.000 0.793 276 P CB 1.343 33.064 31.700 0.035 0.000 0.977 277 S N 0.303 116.051 115.700 0.080 0.000 2.561 277 S HA 0.633 5.103 4.470 -0.000 0.000 0.282 277 S C -0.089 174.576 174.600 0.108 0.000 1.123 277 S CA -0.446 57.807 58.200 0.090 0.000 1.011 277 S CB 0.038 63.300 63.200 0.103 0.000 1.244 277 S HN 0.598 nan 8.310 nan 0.000 0.503 278 A N 0.399 123.294 122.820 0.124 0.000 2.511 278 A HA 0.416 4.736 4.320 -0.000 0.000 0.242 278 A C 0.837 178.540 177.584 0.199 0.000 1.069 278 A CA 0.326 52.444 52.037 0.135 0.000 0.763 278 A CB -0.793 18.280 19.000 0.123 0.000 1.001 278 A HN 1.602 nan 8.150 nan 0.000 0.498 279 V N 1.461 121.456 119.914 0.134 0.000 4.654 279 V HA -0.305 3.815 4.120 -0.000 0.000 0.261 279 V C 1.815 177.901 176.094 -0.015 0.000 0.471 279 V CA 1.554 63.909 62.300 0.092 0.000 0.802 279 V CB -2.579 29.347 31.823 0.171 0.000 0.768 279 V HN 2.899 nan 8.190 nan 0.000 1.286 280 G N -2.514 106.291 108.800 0.008 0.000 2.245 280 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.264 280 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.264 280 G C -0.010 174.873 174.900 -0.029 0.000 0.985 280 G CA 0.524 45.597 45.100 -0.044 0.000 0.625 280 G HN 0.902 nan 8.290 nan 0.000 0.536 281 Y N 2.143 122.472 120.300 0.048 0.000 2.385 281 Y HA 0.363 4.913 4.550 -0.000 0.000 0.346 281 Y C 1.466 177.384 175.900 0.031 0.000 1.270 281 Y CA 0.198 58.325 58.100 0.045 0.000 1.472 281 Y CB 0.415 38.915 38.460 0.066 0.000 1.354 281 Y HN 0.429 nan 8.280 nan 0.000 0.611 282 Q N 2.412 122.364 119.800 0.253 0.000 2.364 282 Q HA 0.086 4.426 4.340 -0.000 0.000 0.267 282 Q C -2.406 173.658 176.000 0.107 0.000 0.999 282 Q CA -1.625 54.254 55.803 0.126 0.000 0.886 282 Q CB 0.692 29.482 28.738 0.086 0.000 1.243 282 Q HN 0.395 nan 8.270 nan 0.000 0.415 283 P HA -0.111 nan 4.420 nan 0.000 0.221 283 P C 0.885 178.214 177.300 0.049 0.000 1.145 283 P CA 1.789 64.924 63.100 0.058 0.000 0.795 283 P CB 0.093 31.818 31.700 0.042 0.000 0.775 284 T N -4.619 109.963 114.554 0.046 0.000 3.145 284 T HA 0.170 4.520 4.350 -0.000 0.000 0.255 284 T C 1.431 176.162 174.700 0.052 0.000 1.039 284 T CA -0.319 61.807 62.100 0.042 0.000 0.928 284 T CB -0.946 67.942 68.868 0.034 0.000 1.029 284 T HN -0.011 nan 8.240 nan 0.000 0.554 285 L N 1.010 122.262 121.223 0.048 0.000 2.013 285 L HA -0.086 4.254 4.340 -0.000 0.000 0.212 285 L C 2.778 179.677 176.870 0.048 0.000 1.073 285 L CA 2.035 56.897 54.840 0.036 0.000 0.753 285 L CB -0.658 41.383 42.059 -0.030 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.432 286 A N -0.896 121.953 122.820 0.047 0.000 1.929 286 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 286 A C 2.267 179.900 177.584 0.082 0.000 1.176 286 A CA 1.793 53.873 52.037 0.071 0.000 0.628 286 A CB -0.937 18.103 19.000 0.068 0.000 0.816 286 A HN 0.630 nan 8.150 nan 0.000 0.444 287 T N -2.082 112.512 114.554 0.067 0.000 2.942 287 T HA -0.081 4.269 4.350 -0.000 0.000 0.265 287 T C 1.221 175.968 174.700 0.077 0.000 1.062 287 T CA 1.182 63.322 62.100 0.066 0.000 1.139 287 T CB -0.331 68.567 68.868 0.049 0.000 0.883 287 T HN 0.355 nan 8.240 nan 0.000 0.468 288 D N 1.161 121.620 120.400 0.098 0.000 2.117 288 D HA -0.028 4.612 4.640 -0.000 0.000 0.198 288 D C 1.960 178.361 176.300 0.168 0.000 0.982 288 D CA 0.934 55.033 54.000 0.164 0.000 0.828 288 D CB -0.363 40.555 40.800 0.196 0.000 0.967 288 D HN 0.396 nan 8.370 nan 0.000 0.464 289 M N 0.670 120.326 119.600 0.093 0.000 2.132 289 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 289 M C 2.069 178.239 176.300 -0.218 0.000 1.065 289 M CA 1.957 57.185 55.300 -0.121 0.000 1.122 289 M CB -0.180 32.356 32.600 -0.106 0.000 1.365 289 M HN 0.009 nan 8.290 nan 0.000 0.411 290 G N -0.500 108.288 108.800 -0.020 0.000 2.446 290 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 290 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 290 G C 1.447 176.360 174.900 0.023 0.000 1.168 290 G CA 1.585 46.740 45.100 0.092 0.000 0.771 290 G HN 0.598 nan 8.290 nan 0.000 0.551 291 T N -1.631 112.937 114.554 0.023 0.000 3.007 291 T HA -0.028 4.322 4.350 -0.000 0.000 0.270 291 T C 2.124 176.816 174.700 -0.014 0.000 1.107 291 T CA 1.665 63.780 62.100 0.024 0.000 1.118 291 T CB -0.108 68.791 68.868 0.052 0.000 0.889 291 T HN 0.260 nan 8.240 nan 0.000 0.506 292 M N -0.225 119.320 119.600 -0.092 0.000 2.429 292 M HA 0.115 4.595 4.480 -0.000 0.000 0.265 292 M C 2.013 178.167 176.300 -0.242 0.000 1.120 292 M CA 0.991 56.181 55.300 -0.182 0.000 1.173 292 M CB -0.278 32.121 32.600 -0.336 0.000 1.343 292 M HN 0.148 nan 8.290 nan 0.000 0.464 293 Q N 0.738 120.346 119.800 -0.321 0.000 2.297 293 Q HA -0.083 4.257 4.340 -0.000 0.000 0.204 293 Q C 1.586 177.529 176.000 -0.096 0.000 0.962 293 Q CA 0.994 56.626 55.803 -0.285 0.000 0.879 293 Q CB -0.198 28.213 28.738 -0.545 0.000 0.947 293 Q HN 0.622 nan 8.270 nan 0.000 0.462 294 E N 0.644 120.826 120.200 -0.031 0.000 2.338 294 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 294 E C 1.706 178.297 176.600 -0.015 0.000 1.007 294 E CA 0.520 56.930 56.400 0.017 0.000 0.849 294 E CB 0.050 29.777 29.700 0.045 0.000 0.774 294 E HN 0.369 nan 8.360 nan 0.000 0.506 295 R N 0.133 120.606 120.500 -0.044 0.000 2.200 295 R HA 0.152 4.492 4.340 -0.000 0.000 0.208 295 R C 1.032 177.295 176.300 -0.062 0.000 1.033 295 R CA 0.187 56.260 56.100 -0.045 0.000 1.000 295 R CB 0.113 30.387 30.300 -0.044 0.000 0.906 295 R HN 0.037 nan 8.270 nan 0.000 0.462 296 I N 1.965 122.482 120.570 -0.087 0.000 2.270 296 I HA 0.025 4.195 4.170 -0.000 0.000 0.300 296 I C 0.002 176.071 176.117 -0.080 0.000 1.186 296 I CA 0.352 61.592 61.300 -0.100 0.000 1.431 296 I CB 0.464 38.379 38.000 -0.141 0.000 1.485 296 I HN -0.041 nan 8.210 nan 0.000 0.650 297 T N 2.549 117.064 114.554 -0.064 0.000 2.840 297 T HA 0.294 4.644 4.350 -0.000 0.000 0.317 297 T C -0.239 174.429 174.700 -0.052 0.000 1.401 297 T CA -0.391 61.675 62.100 -0.056 0.000 1.028 297 T CB 1.511 70.354 68.868 -0.041 0.000 1.317 297 T HN 0.243 nan 8.240 nan 0.000 0.495 298 T N 2.924 117.447 114.554 -0.052 0.000 2.868 298 T HA 0.620 4.970 4.350 -0.000 0.000 0.292 298 T C 0.317 174.987 174.700 -0.049 0.000 1.028 298 T CA -0.143 61.929 62.100 -0.047 0.000 1.059 298 T CB 0.759 69.599 68.868 -0.046 0.000 0.991 298 T HN 0.914 nan 8.240 nan 0.000 0.531 299 T N -0.867 113.660 114.554 -0.045 0.000 2.804 299 T HA 0.480 4.830 4.350 -0.000 0.000 0.290 299 T C 0.659 175.330 174.700 -0.047 0.000 1.099 299 T CA -1.061 61.009 62.100 -0.050 0.000 1.011 299 T CB 1.474 70.316 68.868 -0.042 0.000 1.291 299 T HN 0.350 nan 8.240 nan 0.000 0.523 300 K N -0.182 120.189 120.400 -0.049 0.000 2.439 300 K HA 0.117 4.437 4.320 -0.000 0.000 0.197 300 K C 1.934 178.514 176.600 -0.034 0.000 1.041 300 K CA 0.558 56.820 56.287 -0.043 0.000 0.970 300 K CB -0.015 32.459 32.500 -0.044 0.000 0.773 300 K HN 0.492 nan 8.250 nan 0.000 0.479 301 K N -0.074 120.306 120.400 -0.034 0.000 2.361 301 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 301 K C 0.038 176.621 176.600 -0.028 0.000 1.039 301 K CA 0.408 56.676 56.287 -0.031 0.000 1.001 301 K CB 0.644 33.123 32.500 -0.034 0.000 0.795 301 K HN 0.191 nan 8.250 nan 0.000 0.495 302 G N -0.686 108.099 108.800 -0.025 0.000 2.384 302 G HA2 0.148 4.108 3.960 -0.000 0.000 0.300 302 G HA3 0.148 4.108 3.960 -0.000 0.000 0.300 302 G C -1.756 173.135 174.900 -0.014 0.000 1.582 302 G CA -0.706 44.384 45.100 -0.016 0.000 0.875 302 G HN -0.034 nan 8.290 nan 0.000 0.628 303 S N -0.446 115.250 115.700 -0.006 0.000 2.565 303 S HA 0.846 5.316 4.470 -0.000 0.000 0.290 303 S C -0.290 174.303 174.600 -0.013 0.000 1.150 303 S CA -0.694 57.498 58.200 -0.013 0.000 1.058 303 S CB 0.819 64.014 63.200 -0.007 0.000 1.032 303 S HN 0.601 nan 8.310 nan 0.000 0.510 304 I N 3.372 123.917 120.570 -0.041 0.000 2.497 304 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 304 I C -0.599 175.450 176.117 -0.114 0.000 1.060 304 I CA -0.416 60.841 61.300 -0.071 0.000 1.071 304 I CB 2.301 40.258 38.000 -0.072 0.000 1.216 304 I HN 0.523 nan 8.210 nan 0.000 0.442 305 T N 4.272 118.730 114.554 -0.160 0.000 2.728 305 T HA 0.359 4.709 4.350 -0.000 0.000 0.296 305 T C 0.078 174.590 174.700 -0.314 0.000 0.940 305 T CA -0.513 61.467 62.100 -0.201 0.000 1.013 305 T CB 0.694 69.445 68.868 -0.195 0.000 0.912 305 T HN 0.651 nan 8.240 nan 0.000 0.484 306 S N 2.017 117.539 115.700 -0.296 0.000 2.503 306 S HA 0.782 5.252 4.470 -0.000 0.000 0.301 306 S C -0.730 173.654 174.600 -0.362 0.000 1.087 306 S CA -0.808 57.176 58.200 -0.359 0.000 1.042 306 S CB 1.559 64.607 63.200 -0.254 0.000 1.043 306 S HN 0.387 nan 8.310 nan 0.000 0.489 307 V N 2.944 122.615 119.914 -0.406 0.000 2.462 307 V HA 0.401 4.521 4.120 -0.000 0.000 0.288 307 V C -0.904 175.094 176.094 -0.161 0.000 1.020 307 V CA -0.567 61.582 62.300 -0.253 0.000 0.857 307 V CB 1.141 32.896 31.823 -0.113 0.000 1.013 307 V HN 0.971 nan 8.190 nan 0.000 0.431 308 Q N 3.385 123.079 119.800 -0.176 0.000 2.348 308 Q HA 0.768 5.108 4.340 -0.000 0.000 0.265 308 Q C 0.037 175.939 176.000 -0.163 0.000 0.998 308 Q CA -0.447 55.249 55.803 -0.179 0.000 0.831 308 Q CB 2.528 31.133 28.738 -0.221 0.000 1.251 308 Q HN 0.845 nan 8.270 nan 0.000 0.456 309 A N 3.617 126.377 122.820 -0.101 0.000 2.351 309 A HA 0.576 4.896 4.320 -0.000 0.000 0.257 309 A C -0.234 177.266 177.584 -0.141 0.000 1.087 309 A CA -0.282 51.705 52.037 -0.083 0.000 0.798 309 A CB 0.280 19.288 19.000 0.014 0.000 1.033 309 A HN 0.792 nan 8.150 nan 0.000 0.488 310 I N 1.980 122.415 120.570 -0.225 0.000 2.517 310 I HA 0.140 4.310 4.170 -0.000 0.000 0.280 310 I C -0.790 175.236 176.117 -0.151 0.000 1.061 310 I CA -0.428 60.716 61.300 -0.261 0.000 1.091 310 I CB 1.027 38.571 38.000 -0.760 0.000 1.205 310 I HN 0.744 nan 8.210 nan 0.000 0.459 311 Y N 6.786 127.006 120.300 -0.133 0.000 2.702 311 Y HA 0.224 4.774 4.550 0.000 0.000 0.336 311 Y C -0.295 175.381 175.900 -0.373 0.000 1.235 311 Y CA 0.383 58.361 58.100 -0.203 0.000 1.492 311 Y CB 0.742 39.082 38.460 -0.200 0.000 1.308 311 Y HN 0.279 nan 8.280 nan 0.000 0.589 312 V N 8.617 127.969 119.914 -0.937 0.000 2.380 312 V HA 0.290 4.410 4.120 -0.000 0.000 0.286 312 V C -2.279 173.318 176.094 -0.830 0.000 1.015 312 V CA -2.006 59.929 62.300 -0.608 0.000 0.834 312 V CB 1.215 32.882 31.823 -0.259 0.000 1.009 312 V HN 0.700 nan 8.190 nan 0.000 0.428 313 P HA 0.148 nan 4.420 nan 0.000 0.267 313 P C 0.574 177.825 177.300 -0.082 0.000 1.205 313 P CA 0.740 63.767 63.100 -0.122 0.000 0.765 313 P CB 1.086 32.842 31.700 0.094 0.000 0.828 314 A N 3.653 126.459 122.820 -0.024 0.000 2.798 314 A HA -0.252 4.068 4.320 -0.000 0.000 0.282 314 A C 0.961 178.518 177.584 -0.047 0.000 1.464 314 A CA 1.332 53.364 52.037 -0.008 0.000 0.844 314 A CB -2.528 16.488 19.000 0.027 0.000 1.006 314 A HN 0.623 nan 8.150 nan 0.000 0.577 315 D N -1.955 118.376 120.400 -0.115 0.000 3.070 315 D HA -0.213 4.427 4.640 -0.000 0.000 0.220 315 D C -0.111 176.160 176.300 -0.048 0.000 1.176 315 D CA 2.059 56.005 54.000 -0.091 0.000 0.924 315 D CB -1.165 39.604 40.800 -0.053 0.000 1.124 315 D HN 0.996 nan 8.370 nan 0.000 0.411 316 D N 0.398 120.779 120.400 -0.032 0.000 2.441 316 D HA 0.216 4.856 4.640 -0.000 0.000 0.221 316 D C 1.469 177.788 176.300 0.033 0.000 1.156 316 D CA -0.315 53.690 54.000 0.008 0.000 0.896 316 D CB 0.121 40.939 40.800 0.030 0.000 1.028 316 D HN 0.123 nan 8.370 nan 0.000 0.509 317 L N 2.546 123.794 121.223 0.042 0.000 2.456 317 L HA -0.065 4.275 4.340 -0.000 0.000 0.224 317 L C 2.082 179.025 176.870 0.123 0.000 1.148 317 L CA 1.179 56.080 54.840 0.103 0.000 0.825 317 L CB -0.363 41.753 42.059 0.094 0.000 0.937 317 L HN 0.505 nan 8.230 nan 0.000 0.450 318 T N -4.706 109.893 114.554 0.075 0.000 3.169 318 T HA -0.031 4.319 4.350 -0.000 0.000 0.250 318 T C 0.650 175.412 174.700 0.104 0.000 1.111 318 T CA -0.450 61.696 62.100 0.077 0.000 1.010 318 T CB -0.349 68.544 68.868 0.041 0.000 0.984 318 T HN 0.206 nan 8.240 nan 0.000 0.537 319 D N 2.195 122.668 120.400 0.123 0.000 2.414 319 D HA 0.075 4.715 4.640 -0.000 0.000 0.242 319 D C -1.495 174.888 176.300 0.139 0.000 1.129 319 D CA -1.772 52.325 54.000 0.161 0.000 0.885 319 D CB 1.753 42.667 40.800 0.189 0.000 1.198 319 D HN -0.046 nan 8.370 nan 0.000 0.437 320 P HA -0.223 nan 4.420 nan 0.000 0.218 320 P C 0.887 178.134 177.300 -0.089 0.000 1.154 320 P CA 2.184 65.258 63.100 -0.044 0.000 0.872 320 P CB 0.081 31.671 31.700 -0.182 0.000 0.790 321 A N -0.338 122.418 122.820 -0.107 0.000 1.835 321 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 321 A C -0.043 177.617 177.584 0.126 0.000 1.199 321 A CA 2.259 54.315 52.037 0.033 0.000 0.615 321 A CB -2.258 16.943 19.000 0.335 0.000 0.838 321 A HN 0.203 nan 8.150 nan 0.000 0.444 322 P HA -0.129 nan 4.420 nan 0.000 0.215 322 P C 1.732 179.187 177.300 0.259 0.000 1.157 322 P CA 2.153 65.374 63.100 0.201 0.000 0.868 322 P CB -0.293 31.563 31.700 0.260 0.000 0.788 323 A N -0.322 122.677 122.820 0.298 0.000 1.892 323 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 323 A C 2.276 180.044 177.584 0.307 0.000 1.188 323 A CA 2.884 55.137 52.037 0.359 0.000 0.631 323 A CB -2.098 17.017 19.000 0.193 0.000 0.822 323 A HN 0.230 nan 8.150 nan 0.000 0.447 324 T N -0.427 114.238 114.554 0.185 0.000 3.007 324 T HA -0.060 4.290 4.350 -0.000 0.000 0.270 324 T C 1.742 176.582 174.700 0.234 0.000 1.107 324 T CA 1.672 63.874 62.100 0.169 0.000 1.118 324 T CB -0.352 68.579 68.868 0.104 0.000 0.889 324 T HN 0.582 nan 8.240 nan 0.000 0.506 325 T N 1.440 116.113 114.554 0.198 0.000 2.978 325 T HA 0.105 4.455 4.350 -0.000 0.000 0.262 325 T C 1.469 176.297 174.700 0.213 0.000 1.063 325 T CA 0.362 62.562 62.100 0.166 0.000 1.140 325 T CB -0.382 68.475 68.868 -0.018 0.000 0.886 325 T HN 0.287 nan 8.240 nan 0.000 0.470 326 F N 2.330 122.461 119.950 0.302 0.000 2.087 326 F HA -0.160 4.367 4.527 0.000 0.000 0.299 326 F C 2.641 178.498 175.800 0.094 0.000 1.100 326 F CA 1.109 59.222 58.000 0.188 0.000 1.226 326 F CB -0.854 38.157 39.000 0.017 0.000 0.983 326 F HN 0.153 nan 8.300 nan 0.000 0.479 327 A N -1.647 121.294 122.820 0.202 0.000 2.225 327 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 327 A C 1.511 179.026 177.584 -0.115 0.000 1.164 327 A CA 1.233 53.268 52.037 -0.003 0.000 0.710 327 A CB -0.962 17.966 19.000 -0.119 0.000 0.780 327 A HN 0.523 nan 8.150 nan 0.000 0.473 328 H N -1.206 117.898 119.070 0.057 0.000 2.549 328 H HA 0.362 4.918 4.556 -0.000 0.000 0.279 328 H C -0.265 175.059 175.328 -0.007 0.000 1.018 328 H CA 0.104 56.156 56.048 0.006 0.000 1.175 328 H CB 0.108 29.849 29.762 -0.034 0.000 1.485 328 H HN 0.361 nan 8.280 nan 0.000 0.543 329 L N -0.169 121.125 121.223 0.118 0.000 2.319 329 L HA 0.281 4.621 4.340 -0.000 0.000 0.267 329 L C 0.742 177.645 176.870 0.055 0.000 1.011 329 L CA -0.647 54.236 54.840 0.071 0.000 0.818 329 L CB 1.835 43.953 42.059 0.099 0.000 1.316 329 L HN -0.132 nan 8.230 nan 0.000 0.432 330 D N 0.363 120.776 120.400 0.022 0.000 2.423 330 D HA 0.253 4.893 4.640 -0.000 0.000 0.212 330 D C 0.108 176.433 176.300 0.042 0.000 1.060 330 D CA 0.506 54.519 54.000 0.021 0.000 0.872 330 D CB 1.332 42.129 40.800 -0.005 0.000 1.012 330 D HN 0.514 nan 8.370 nan 0.000 0.503 331 A N 0.743 123.580 122.820 0.029 0.000 2.455 331 A HA 0.581 4.901 4.320 -0.000 0.000 0.300 331 A C -0.439 177.206 177.584 0.102 0.000 1.040 331 A CA -0.563 51.525 52.037 0.085 0.000 0.697 331 A CB 1.609 20.673 19.000 0.107 0.000 1.265 331 A HN -0.025 nan 8.150 nan 0.000 0.407 332 T N -0.967 113.705 114.554 0.196 0.000 2.876 332 T HA 0.740 5.090 4.350 -0.000 0.000 0.289 332 T C -0.560 174.316 174.700 0.293 0.000 1.014 332 T CA -0.537 61.728 62.100 0.276 0.000 0.986 332 T CB 1.606 70.671 68.868 0.329 0.000 1.021 332 T HN 0.502 nan 8.240 nan 0.000 0.458 333 T N 2.746 117.503 114.554 0.339 0.000 2.893 333 T HA 0.428 4.778 4.350 -0.000 0.000 0.324 333 T C -0.152 174.731 174.700 0.305 0.000 1.082 333 T CA -0.543 61.737 62.100 0.300 0.000 0.983 333 T CB 0.654 69.717 68.868 0.324 0.000 1.005 333 T HN 0.644 nan 8.240 nan 0.000 0.475 334 V N 5.844 125.892 119.914 0.224 0.000 2.339 334 V HA 0.274 4.394 4.120 -0.000 0.000 0.261 334 V C 0.507 176.687 176.094 0.142 0.000 1.058 334 V CA -0.654 61.763 62.300 0.194 0.000 0.897 334 V CB -0.095 31.776 31.823 0.081 0.000 1.052 334 V HN 0.750 nan 8.190 nan 0.000 0.480 335 L N 3.586 124.903 121.223 0.155 0.000 2.452 335 L HA 0.434 4.774 4.340 -0.000 0.000 0.267 335 L C 0.607 177.514 176.870 0.061 0.000 1.188 335 L CA 0.467 55.371 54.840 0.107 0.000 0.821 335 L CB 1.180 43.313 42.059 0.123 0.000 1.102 335 L HN 0.645 nan 8.230 nan 0.000 0.470 336 S N 0.924 116.639 115.700 0.024 0.000 2.526 336 S HA 0.345 4.815 4.470 -0.000 0.000 0.293 336 S C 0.565 175.151 174.600 -0.023 0.000 1.092 336 S CA -0.784 57.413 58.200 -0.004 0.000 0.980 336 S CB 1.938 65.127 63.200 -0.018 0.000 1.048 336 S HN 0.703 nan 8.310 nan 0.000 0.483 337 R N 2.629 123.116 120.500 -0.022 0.000 2.093 337 R HA 0.076 4.416 4.340 -0.000 0.000 0.224 337 R C 2.002 178.278 176.300 -0.039 0.000 1.101 337 R CA 1.455 57.541 56.100 -0.023 0.000 0.979 337 R CB -0.548 29.743 30.300 -0.015 0.000 0.877 337 R HN 0.738 nan 8.270 nan 0.000 0.441 338 A N 1.112 123.908 122.820 -0.041 0.000 1.930 338 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 338 A C 2.054 179.600 177.584 -0.064 0.000 1.175 338 A CA 1.007 53.016 52.037 -0.046 0.000 0.627 338 A CB -0.345 18.629 19.000 -0.043 0.000 0.815 338 A HN 0.294 nan 8.150 nan 0.000 0.443 339 I N -0.306 120.220 120.570 -0.074 0.000 2.163 339 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 339 I C 3.018 179.025 176.117 -0.183 0.000 1.081 339 I CA 1.119 62.359 61.300 -0.100 0.000 1.353 339 I CB -0.759 37.192 38.000 -0.082 0.000 1.054 339 I HN 0.344 nan 8.210 nan 0.000 0.407 340 A N 0.898 123.574 122.820 -0.239 0.000 1.917 340 A HA -0.255 4.065 4.320 -0.000 0.000 0.219 340 A C 2.188 179.615 177.584 -0.261 0.000 1.182 340 A CA 1.943 53.713 52.037 -0.446 0.000 0.633 340 A CB -0.752 18.091 19.000 -0.261 0.000 0.819 340 A HN 0.491 nan 8.150 nan 0.000 0.448 341 E N -0.350 119.784 120.200 -0.111 0.000 2.204 341 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 341 E C 1.601 178.171 176.600 -0.049 0.000 0.990 341 E CA 0.825 57.198 56.400 -0.045 0.000 0.821 341 E CB -0.277 29.409 29.700 -0.025 0.000 0.750 341 E HN 0.644 nan 8.360 nan 0.000 0.477 342 L N -0.394 120.783 121.223 -0.076 0.000 2.551 342 L HA -0.002 4.338 4.340 -0.000 0.000 0.228 342 L C 1.518 178.351 176.870 -0.062 0.000 1.153 342 L CA 0.601 55.404 54.840 -0.063 0.000 0.851 342 L CB -0.173 41.852 42.059 -0.057 0.000 0.959 342 L HN 0.350 nan 8.230 nan 0.000 0.451 343 G N -0.181 108.582 108.800 -0.062 0.000 2.175 343 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 343 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 343 G C 0.222 175.177 174.900 0.092 0.000 0.982 343 G CA -0.433 44.707 45.100 0.067 0.000 0.641 343 G HN 0.115 nan 8.290 nan 0.000 0.527 344 I N 0.999 121.504 120.570 -0.108 0.000 2.471 344 I HA 0.528 4.698 4.170 -0.000 0.000 0.286 344 I C -0.023 175.876 176.117 -0.364 0.000 1.079 344 I CA -0.882 60.388 61.300 -0.051 0.000 1.398 344 I CB -0.214 37.773 38.000 -0.022 0.000 1.403 344 I HN 0.082 nan 8.210 nan 0.000 0.530 345 Y N 6.438 126.738 120.300 0.000 0.000 2.470 345 Y HA 0.391 4.941 4.550 0.000 0.000 0.341 345 Y C -2.219 173.506 175.900 -0.292 0.000 1.021 345 Y CA -2.419 55.608 58.100 -0.122 0.000 1.025 345 Y CB 2.184 40.563 38.460 -0.135 0.000 1.266 345 Y HN 0.418 nan 8.280 nan 0.000 0.448 346 P HA 0.088 nan 4.420 nan 0.000 0.269 346 P C -0.261 177.065 177.300 0.044 0.000 1.209 346 P CA -0.096 63.043 63.100 0.064 0.000 0.776 346 P CB 0.964 32.782 31.700 0.197 0.000 0.876 347 A N 3.430 126.274 122.820 0.041 0.000 2.711 347 A HA 0.193 4.513 4.320 -0.000 0.000 0.242 347 A C 0.543 178.137 177.584 0.016 0.000 1.607 347 A CA -0.256 51.742 52.037 -0.065 0.000 1.370 347 A CB -1.349 17.578 19.000 -0.122 0.000 0.934 347 A HN 0.371 nan 8.150 nan 0.000 0.628 348 V N 0.840 120.782 119.914 0.047 0.000 2.637 348 V HA 0.062 4.182 4.120 -0.000 0.000 0.296 348 V C 0.411 176.525 176.094 0.033 0.000 1.046 348 V CA -0.495 61.844 62.300 0.065 0.000 1.066 348 V CB 1.127 33.003 31.823 0.087 0.000 0.968 348 V HN 0.570 nan 8.190 nan 0.000 0.483 349 D N 6.993 127.414 120.400 0.034 0.000 2.393 349 D HA 0.240 4.880 4.640 -0.000 0.000 0.232 349 D C -1.440 174.863 176.300 0.004 0.000 1.192 349 D CA -2.164 51.842 54.000 0.010 0.000 0.882 349 D CB 1.792 42.593 40.800 0.002 0.000 1.038 349 D HN 0.264 nan 8.370 nan 0.000 0.499 350 P HA -0.041 nan 4.420 nan 0.000 0.230 350 P C 1.020 178.302 177.300 -0.030 0.000 1.158 350 P CA 0.587 63.675 63.100 -0.021 0.000 0.769 350 P CB 0.341 32.023 31.700 -0.030 0.000 0.807 351 L N -1.067 120.138 121.223 -0.030 0.000 2.818 351 L HA 0.260 4.600 4.340 -0.000 0.000 0.243 351 L C 1.096 177.936 176.870 -0.049 0.000 1.185 351 L CA 0.315 55.131 54.840 -0.041 0.000 0.988 351 L CB 0.075 42.109 42.059 -0.043 0.000 1.292 351 L HN -0.138 nan 8.230 nan 0.000 0.519 352 D N -1.405 118.971 120.400 -0.041 0.000 2.490 352 D HA 0.078 4.718 4.640 -0.000 0.000 0.246 352 D C 0.164 176.444 176.300 -0.033 0.000 1.196 352 D CA 0.255 54.218 54.000 -0.062 0.000 0.812 352 D CB 0.884 41.643 40.800 -0.068 0.000 1.191 352 D HN -0.072 nan 8.370 nan 0.000 0.531 353 S N 0.247 115.954 115.700 0.011 0.000 2.480 353 S HA 0.628 5.098 4.470 -0.000 0.000 0.286 353 S C 0.225 174.857 174.600 0.053 0.000 1.180 353 S CA -0.522 57.717 58.200 0.066 0.000 1.075 353 S CB 1.723 64.982 63.200 0.098 0.000 0.996 353 S HN 0.294 nan 8.310 nan 0.000 0.487 354 T N -0.836 113.762 114.554 0.073 0.000 2.831 354 T HA 0.838 5.188 4.350 -0.000 0.000 0.287 354 T C -0.535 174.222 174.700 0.095 0.000 1.070 354 T CA -0.908 61.226 62.100 0.057 0.000 1.010 354 T CB 1.813 70.698 68.868 0.028 0.000 1.264 354 T HN 0.498 nan 8.240 nan 0.000 0.532 355 S N -1.480 114.266 115.700 0.076 0.000 2.533 355 S HA 0.401 4.871 4.470 -0.000 0.000 0.271 355 S C 0.364 174.999 174.600 0.058 0.000 1.143 355 S CA -0.854 57.399 58.200 0.087 0.000 0.891 355 S CB 1.703 64.968 63.200 0.109 0.000 1.105 355 S HN 0.766 nan 8.310 nan 0.000 0.468 356 R N 2.160 122.691 120.500 0.052 0.000 2.235 356 R HA 0.108 4.448 4.340 -0.000 0.000 0.213 356 R C 1.111 177.426 176.300 0.024 0.000 1.059 356 R CA 0.749 56.869 56.100 0.033 0.000 0.997 356 R CB -0.171 30.144 30.300 0.024 0.000 0.884 356 R HN 0.571 nan 8.270 nan 0.000 0.462 357 I N 0.315 120.902 120.570 0.029 0.000 3.059 357 I HA -0.043 4.127 4.170 -0.000 0.000 0.270 357 I C 1.047 177.161 176.117 -0.004 0.000 1.238 357 I CA 0.294 61.602 61.300 0.013 0.000 1.478 357 I CB -0.525 37.493 38.000 0.029 0.000 1.097 357 I HN 0.116 nan 8.210 nan 0.000 0.455 358 M N 2.438 122.047 119.600 0.015 0.000 3.282 358 M HA 0.076 4.556 4.480 -0.000 0.000 0.242 358 M C -0.401 175.968 176.300 0.115 0.000 1.568 358 M CA 0.312 55.633 55.300 0.035 0.000 1.668 358 M CB -1.221 31.407 32.600 0.047 0.000 1.236 358 M HN 0.073 nan 8.290 nan 0.000 0.527 359 D N 3.841 124.255 120.400 0.024 0.000 2.934 359 D HA 0.323 4.963 4.640 -0.000 0.000 0.230 359 D C -2.457 173.727 176.300 -0.194 0.000 1.204 359 D CA -1.404 52.520 54.000 -0.126 0.000 0.873 359 D CB 2.527 43.272 40.800 -0.092 0.000 1.645 359 D HN 0.110 nan 8.370 nan 0.000 0.502 360 P HA -0.112 nan 4.420 nan 0.000 0.218 360 P C 0.586 177.809 177.300 -0.128 0.000 1.146 360 P CA 1.054 63.986 63.100 -0.280 0.000 0.813 360 P CB 0.399 31.859 31.700 -0.400 0.000 0.778 361 N N -1.238 117.389 118.700 -0.122 0.000 2.422 361 N HA 0.078 4.818 4.740 -0.000 0.000 0.181 361 N C 1.673 177.158 175.510 -0.040 0.000 1.080 361 N CA 0.512 53.522 53.050 -0.067 0.000 0.893 361 N CB -0.289 38.159 38.487 -0.065 0.000 0.973 361 N HN 0.268 nan 8.380 nan 0.000 0.456 362 I N -0.675 119.868 120.570 -0.045 0.000 2.947 362 I HA -0.017 4.153 4.170 -0.000 0.000 0.263 362 I C 1.693 177.806 176.117 -0.007 0.000 1.130 362 I CA 0.365 61.652 61.300 -0.022 0.000 1.448 362 I CB 0.122 38.107 38.000 -0.024 0.000 1.222 362 I HN -0.054 nan 8.210 nan 0.000 0.453 363 V N -1.108 118.791 119.914 -0.026 0.000 3.650 363 V HA 0.541 4.661 4.120 -0.000 0.000 0.271 363 V C 0.830 176.973 176.094 0.082 0.000 1.281 363 V CA 0.263 62.560 62.300 -0.004 0.000 1.120 363 V CB -0.871 30.796 31.823 -0.259 0.000 0.856 363 V HN 0.481 nan 8.190 nan 0.000 0.443 364 G N 0.948 109.779 108.800 0.053 0.000 2.705 364 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.686 364 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.686 364 G C 0.450 175.420 174.900 0.117 0.000 1.285 364 G CA 0.344 45.489 45.100 0.075 0.000 0.800 364 G HN 1.381 nan 8.290 nan 0.000 0.611 365 S N -0.128 115.629 115.700 0.095 0.000 2.370 365 S HA -0.173 4.297 4.470 -0.000 0.000 0.226 365 S C 1.857 176.560 174.600 0.172 0.000 1.033 365 S CA 1.994 60.271 58.200 0.129 0.000 1.011 365 S CB -0.246 63.001 63.200 0.078 0.000 0.852 365 S HN 1.086 nan 8.310 nan 0.000 0.457 366 E N 1.166 121.453 120.200 0.144 0.000 2.038 366 E HA -0.326 4.024 4.350 -0.000 0.000 0.195 366 E C 2.092 178.805 176.600 0.188 0.000 1.000 366 E CA 1.490 57.973 56.400 0.139 0.000 0.803 366 E CB -0.552 29.212 29.700 0.107 0.000 0.750 366 E HN 0.871 nan 8.360 nan 0.000 0.448 367 H N -1.387 117.739 119.070 0.093 0.000 2.267 367 H HA -0.236 4.320 4.556 -0.000 0.000 0.297 367 H C 2.237 177.614 175.328 0.081 0.000 1.080 367 H CA 1.865 57.962 56.048 0.082 0.000 1.278 367 H CB -0.265 29.547 29.762 0.083 0.000 1.365 367 H HN 0.293 nan 8.280 nan 0.000 0.489 368 Y N 1.736 122.115 120.300 0.133 0.000 2.114 368 Y HA -0.295 4.255 4.550 -0.000 0.000 0.282 368 Y C 2.107 178.037 175.900 0.051 0.000 1.165 368 Y CA 2.085 60.202 58.100 0.028 0.000 1.148 368 Y CB -0.412 38.040 38.460 -0.013 0.000 0.972 368 Y HN 0.370 nan 8.280 nan 0.000 0.504 369 D N -0.541 119.920 120.400 0.102 0.000 2.084 369 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 369 D C 2.424 178.710 176.300 -0.025 0.000 0.990 369 D CA 1.924 55.941 54.000 0.028 0.000 0.826 369 D CB -0.634 40.225 40.800 0.099 0.000 0.971 369 D HN 0.325 nan 8.370 nan 0.000 0.453 370 V N 1.592 121.527 119.914 0.035 0.000 2.295 370 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 370 V C 2.577 178.649 176.094 -0.036 0.000 1.049 370 V CA 1.844 64.163 62.300 0.032 0.000 1.024 370 V CB -0.934 30.938 31.823 0.081 0.000 0.648 370 V HN 0.184 nan 8.190 nan 0.000 0.447 371 A N -0.075 122.718 122.820 -0.045 0.000 1.908 371 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 371 A C 2.302 179.773 177.584 -0.188 0.000 1.181 371 A CA 1.625 53.590 52.037 -0.120 0.000 0.627 371 A CB -0.457 18.506 19.000 -0.061 0.000 0.818 371 A HN 0.394 nan 8.150 nan 0.000 0.445 372 R N -0.428 119.904 120.500 -0.280 0.000 2.115 372 R HA -0.062 4.278 4.340 -0.000 0.000 0.230 372 R C 2.294 178.515 176.300 -0.132 0.000 1.111 372 R CA 1.113 57.057 56.100 -0.260 0.000 0.976 372 R CB -1.635 28.442 30.300 -0.372 0.000 0.870 372 R HN 0.534 nan 8.270 nan 0.000 0.445 373 G N 0.112 108.857 108.800 -0.092 0.000 2.404 373 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 373 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 373 G C 1.553 176.434 174.900 -0.031 0.000 1.174 373 G CA 0.679 45.756 45.100 -0.039 0.000 0.780 373 G HN 0.173 nan 8.290 nan 0.000 0.537 374 V N 0.541 120.425 119.914 -0.050 0.000 2.343 374 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 374 V C 2.917 178.982 176.094 -0.049 0.000 1.051 374 V CA 2.201 64.472 62.300 -0.049 0.000 1.036 374 V CB -0.510 31.222 31.823 -0.152 0.000 0.654 374 V HN 0.430 nan 8.190 nan 0.000 0.451 375 Q N -0.443 119.312 119.800 -0.074 0.000 2.167 375 Q HA -0.223 4.117 4.340 -0.000 0.000 0.202 375 Q C 2.365 178.345 176.000 -0.034 0.000 0.970 375 Q CA 1.458 57.226 55.803 -0.059 0.000 0.855 375 Q CB -0.178 28.512 28.738 -0.081 0.000 0.911 375 Q HN 0.569 nan 8.270 nan 0.000 0.438 376 K N 1.076 121.455 120.400 -0.035 0.000 2.057 376 K HA -0.116 4.204 4.320 -0.000 0.000 0.206 376 K C 1.963 178.566 176.600 0.005 0.000 1.050 376 K CA 0.810 57.088 56.287 -0.016 0.000 0.935 376 K CB -0.064 32.425 32.500 -0.018 0.000 0.715 376 K HN 0.192 nan 8.250 nan 0.000 0.439 377 I N 1.136 121.711 120.570 0.008 0.000 2.493 377 I HA -0.231 3.939 4.170 -0.000 0.000 0.254 377 I C 1.701 177.858 176.117 0.065 0.000 1.160 377 I CA 0.812 62.128 61.300 0.027 0.000 1.445 377 I CB 0.148 38.155 38.000 0.012 0.000 1.086 377 I HN 0.202 nan 8.210 nan 0.000 0.433 378 L N 0.039 121.297 121.223 0.058 0.000 2.109 378 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 378 L C 2.522 179.437 176.870 0.076 0.000 1.086 378 L CA 0.929 55.828 54.840 0.098 0.000 0.760 378 L CB -0.629 41.465 42.059 0.058 0.000 0.910 378 L HN 0.270 nan 8.230 nan 0.000 0.437 379 Q N 0.307 120.126 119.800 0.032 0.000 2.119 379 Q HA -0.188 4.152 4.340 -0.000 0.000 0.201 379 Q C 1.718 177.735 176.000 0.029 0.000 0.972 379 Q CA 1.565 57.374 55.803 0.010 0.000 0.847 379 Q CB -0.021 28.713 28.738 -0.007 0.000 0.903 379 Q HN 0.373 nan 8.270 nan 0.000 0.433 380 D N -0.861 119.570 120.400 0.052 0.000 2.117 380 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 380 D C 1.524 177.899 176.300 0.124 0.000 0.987 380 D CA 1.031 55.068 54.000 0.063 0.000 0.829 380 D CB -0.431 40.399 40.800 0.050 0.000 0.961 380 D HN 0.310 nan 8.370 nan 0.000 0.460 381 Y N 2.089 122.381 120.300 -0.014 0.000 2.128 381 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 381 Y C 2.215 178.106 175.900 -0.013 0.000 1.154 381 Y CA 1.469 59.562 58.100 -0.012 0.000 1.149 381 Y CB -0.417 38.036 38.460 -0.011 0.000 0.976 381 Y HN -0.154 nan 8.280 nan 0.000 0.505 382 K N -0.102 120.261 120.400 -0.061 0.000 2.103 382 K HA -0.185 4.135 4.320 -0.000 0.000 0.207 382 K C 2.420 178.957 176.600 -0.105 0.000 1.048 382 K CA 1.790 57.969 56.287 -0.180 0.000 0.930 382 K CB -0.322 32.108 32.500 -0.117 0.000 0.716 382 K HN 0.460 nan 8.250 nan 0.000 0.444 383 S N 0.200 115.879 115.700 -0.035 0.000 2.428 383 S HA -0.065 4.405 4.470 -0.000 0.000 0.230 383 S C 1.919 176.513 174.600 -0.010 0.000 1.014 383 S CA 0.633 58.819 58.200 -0.022 0.000 0.957 383 S CB -0.313 62.883 63.200 -0.006 0.000 0.784 383 S HN 0.315 nan 8.310 nan 0.000 0.499 384 L N 0.879 122.113 121.223 0.019 0.000 2.217 384 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 384 L C 2.949 179.828 176.870 0.014 0.000 1.107 384 L CA 1.028 55.895 54.840 0.043 0.000 0.783 384 L CB -0.612 41.516 42.059 0.116 0.000 0.919 384 L HN 0.395 nan 8.230 nan 0.000 0.442 385 Q N -0.213 119.555 119.800 -0.053 0.000 2.217 385 Q HA -0.301 4.039 4.340 -0.000 0.000 0.209 385 Q C 1.847 177.818 176.000 -0.048 0.000 0.988 385 Q CA 1.903 57.652 55.803 -0.089 0.000 0.878 385 Q CB -0.278 28.346 28.738 -0.191 0.000 0.909 385 Q HN 0.523 nan 8.270 nan 0.000 0.424 386 D N 0.532 120.909 120.400 -0.038 0.000 2.144 386 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 386 D C 1.666 177.958 176.300 -0.013 0.000 0.984 386 D CA 1.018 55.002 54.000 -0.026 0.000 0.834 386 D CB 0.094 40.880 40.800 -0.023 0.000 0.955 386 D HN 0.314 nan 8.370 nan 0.000 0.465 387 I N 0.521 121.089 120.570 -0.003 0.000 2.296 387 I HA -0.182 3.988 4.170 -0.000 0.000 0.242 387 I C 2.413 178.536 176.117 0.010 0.000 1.087 387 I CA 0.082 61.385 61.300 0.005 0.000 1.393 387 I CB -0.275 37.732 38.000 0.013 0.000 1.093 387 I HN -0.045 nan 8.210 nan 0.000 0.421 388 I N 2.052 122.634 120.570 0.019 0.000 2.145 388 I HA -0.348 3.822 4.170 -0.000 0.000 0.244 388 I C 2.972 179.098 176.117 0.015 0.000 1.075 388 I CA 1.908 63.225 61.300 0.029 0.000 1.332 388 I CB -1.793 36.240 38.000 0.055 0.000 1.033 388 I HN 0.226 nan 8.210 nan 0.000 0.410 389 A N 0.775 123.596 122.820 0.001 0.000 1.940 389 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 389 A C 2.237 179.820 177.584 -0.001 0.000 1.190 389 A CA 2.022 54.056 52.037 -0.005 0.000 0.647 389 A CB -0.489 18.502 19.000 -0.016 0.000 0.821 389 A HN 0.368 nan 8.150 nan 0.000 0.457 390 I N -1.483 119.087 120.570 0.001 0.000 2.726 390 I HA 0.049 4.219 4.170 -0.000 0.000 0.243 390 I C 2.262 178.382 176.117 0.004 0.000 1.082 390 I CA 0.766 62.067 61.300 0.001 0.000 1.447 390 I CB -1.383 36.617 38.000 -0.000 0.000 1.250 390 I HN 0.223 nan 8.210 nan 0.000 0.453 391 L N 0.274 121.501 121.223 0.006 0.000 2.492 391 L HA 0.234 4.574 4.340 -0.000 0.000 0.223 391 L C 1.246 178.123 176.870 0.011 0.000 1.132 391 L CA 0.500 55.344 54.840 0.008 0.000 0.850 391 L CB -0.568 41.495 42.059 0.008 0.000 0.966 391 L HN 0.509 nan 8.230 nan 0.000 0.454 392 G N -0.102 108.707 108.800 0.015 0.000 2.632 392 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.224 392 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.224 392 G C 0.286 175.200 174.900 0.024 0.000 1.341 392 G CA 0.020 45.132 45.100 0.020 0.000 0.880 392 G HN 0.010 nan 8.290 nan 0.000 0.566 393 M N 0.543 120.157 119.600 0.024 0.000 2.541 393 M HA 0.042 4.522 4.480 -0.000 0.000 0.252 393 M C 1.741 178.050 176.300 0.015 0.000 1.125 393 M CA 0.929 56.242 55.300 0.023 0.000 1.091 393 M CB -0.297 32.316 32.600 0.022 0.000 1.420 393 M HN 0.550 nan 8.290 nan 0.000 0.486 394 D N 1.132 121.540 120.400 0.012 0.000 2.228 394 D HA -0.175 4.465 4.640 -0.000 0.000 0.203 394 D C 0.978 177.283 176.300 0.009 0.000 0.988 394 D CA 1.386 55.391 54.000 0.009 0.000 0.864 394 D CB -0.052 40.752 40.800 0.008 0.000 0.928 394 D HN 0.356 nan 8.370 nan 0.000 0.469 395 E N -0.309 119.897 120.200 0.010 0.000 2.444 395 E HA 0.196 4.546 4.350 -0.000 0.000 0.191 395 E C 0.175 176.781 176.600 0.010 0.000 1.041 395 E CA -0.160 56.245 56.400 0.009 0.000 0.883 395 E CB 0.331 30.037 29.700 0.009 0.000 1.024 395 E HN 0.216 nan 8.360 nan 0.000 0.470 396 L N 1.411 122.641 121.223 0.012 0.000 2.371 396 L HA 0.217 4.557 4.340 -0.000 0.000 0.272 396 L C 0.936 177.811 176.870 0.008 0.000 1.124 396 L CA -0.492 54.356 54.840 0.012 0.000 0.816 396 L CB 1.034 43.102 42.059 0.015 0.000 1.129 396 L HN 0.152 nan 8.230 nan 0.000 0.448 397 S N 1.484 117.188 115.700 0.007 0.000 2.580 397 S HA -0.094 4.376 4.470 -0.000 0.000 0.261 397 S C 0.910 175.511 174.600 0.002 0.000 1.366 397 S CA -0.031 58.171 58.200 0.004 0.000 0.996 397 S CB 0.878 64.081 63.200 0.004 0.000 0.902 397 S HN 0.706 nan 8.310 nan 0.000 0.566 398 E N 0.101 120.301 120.200 -0.000 0.000 2.274 398 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 398 E C 1.897 178.494 176.600 -0.005 0.000 0.996 398 E CA 1.396 57.795 56.400 -0.003 0.000 0.840 398 E CB -0.193 29.505 29.700 -0.002 0.000 0.772 398 E HN 0.811 nan 8.360 nan 0.000 0.491 399 E N 0.048 120.246 120.200 -0.003 0.000 2.046 399 E HA -0.196 4.154 4.350 -0.000 0.000 0.190 399 E C 1.139 177.736 176.600 -0.006 0.000 0.982 399 E CA 1.313 57.710 56.400 -0.004 0.000 0.800 399 E CB -0.026 29.673 29.700 -0.001 0.000 0.756 399 E HN 0.241 nan 8.360 nan 0.000 0.449 400 D N 0.929 121.329 120.400 -0.001 0.000 2.104 400 D HA -0.161 4.479 4.640 -0.000 0.000 0.194 400 D C 1.882 178.174 176.300 -0.012 0.000 0.994 400 D CA 1.179 55.181 54.000 0.002 0.000 0.830 400 D CB -0.133 40.675 40.800 0.013 0.000 0.959 400 D HN 0.182 nan 8.370 nan 0.000 0.452 401 K N 0.132 120.524 120.400 -0.014 0.000 2.103 401 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 401 K C 2.099 178.670 176.600 -0.049 0.000 1.048 401 K CA 0.411 56.681 56.287 -0.029 0.000 0.930 401 K CB -0.187 32.302 32.500 -0.018 0.000 0.716 401 K HN 0.041 nan 8.250 nan 0.000 0.444 402 L N 1.247 122.448 121.223 -0.037 0.000 2.083 402 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 402 L C 2.448 179.279 176.870 -0.065 0.000 1.083 402 L CA 2.044 56.858 54.840 -0.042 0.000 0.752 402 L CB -0.762 41.281 42.059 -0.026 0.000 0.899 402 L HN 0.334 nan 8.230 nan 0.000 0.433 403 T N -4.467 110.050 114.554 -0.061 0.000 2.777 403 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 403 T C 1.844 176.439 174.700 -0.174 0.000 1.040 403 T CA 1.372 63.427 62.100 -0.076 0.000 1.141 403 T CB -1.095 67.756 68.868 -0.029 0.000 0.868 403 T HN 0.122 nan 8.240 nan 0.000 0.444 404 V N 2.307 122.097 119.914 -0.206 0.000 2.392 404 V HA -0.187 3.933 4.120 -0.000 0.000 0.249 404 V C 3.047 178.919 176.094 -0.371 0.000 1.059 404 V CA 2.096 64.149 62.300 -0.412 0.000 1.051 404 V CB -1.076 30.602 31.823 -0.241 0.000 0.658 404 V HN 0.591 nan 8.190 nan 0.000 0.455 405 S N -0.310 115.266 115.700 -0.206 0.000 2.357 405 S HA -0.153 4.317 4.470 -0.000 0.000 0.221 405 S C 2.108 176.602 174.600 -0.178 0.000 1.031 405 S CA 1.291 59.396 58.200 -0.158 0.000 0.982 405 S CB -0.292 62.853 63.200 -0.091 0.000 0.853 405 S HN 0.497 nan 8.310 nan 0.000 0.458 406 R N 1.291 121.693 120.500 -0.164 0.000 2.066 406 R HA 0.066 4.406 4.340 -0.000 0.000 0.232 406 R C 2.664 178.870 176.300 -0.157 0.000 1.131 406 R CA 1.198 57.204 56.100 -0.156 0.000 0.955 406 R CB -0.644 29.595 30.300 -0.102 0.000 0.851 406 R HN 0.415 nan 8.270 nan 0.000 0.432 407 A N 1.159 123.869 122.820 -0.183 0.000 1.892 407 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 407 A C 2.066 179.570 177.584 -0.134 0.000 1.188 407 A CA 1.712 53.663 52.037 -0.143 0.000 0.631 407 A CB -0.499 18.404 19.000 -0.162 0.000 0.822 407 A HN 0.268 nan 8.150 nan 0.000 0.447 408 R N -0.306 120.038 120.500 -0.261 0.000 2.120 408 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 408 R C 2.068 178.329 176.300 -0.064 0.000 1.123 408 R CA 1.554 57.583 56.100 -0.118 0.000 0.975 408 R CB -0.224 29.993 30.300 -0.138 0.000 0.866 408 R HN 0.555 nan 8.270 nan 0.000 0.446 409 K N 0.261 120.565 120.400 -0.160 0.000 2.167 409 K HA -0.015 4.305 4.320 -0.000 0.000 0.203 409 K C 1.990 178.479 176.600 -0.185 0.000 1.052 409 K CA 0.913 57.013 56.287 -0.311 0.000 0.956 409 K CB 0.022 32.099 32.500 -0.705 0.000 0.735 409 K HN 0.151 nan 8.250 nan 0.000 0.451 410 I N 1.581 122.127 120.570 -0.039 0.000 2.202 410 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 410 I C 2.503 178.765 176.117 0.241 0.000 1.091 410 I CA 1.341 62.758 61.300 0.196 0.000 1.368 410 I CB -0.261 37.847 38.000 0.181 0.000 1.058 410 I HN 0.188 nan 8.210 nan 0.000 0.410 411 Q N 0.482 120.375 119.800 0.155 0.000 2.077 411 Q HA -0.269 4.071 4.340 -0.000 0.000 0.206 411 Q C 2.403 178.516 176.000 0.190 0.000 0.989 411 Q CA 1.923 57.819 55.803 0.156 0.000 0.853 411 Q CB -0.151 28.673 28.738 0.143 0.000 0.907 411 Q HN 0.437 nan 8.270 nan 0.000 0.418 412 R N -0.680 119.950 120.500 0.217 0.000 2.090 412 R HA -0.086 4.254 4.340 -0.000 0.000 0.228 412 R C 1.851 178.354 176.300 0.337 0.000 1.110 412 R CA 0.893 57.179 56.100 0.310 0.000 0.973 412 R CB -0.220 30.285 30.300 0.342 0.000 0.869 412 R HN 0.169 nan 8.270 nan 0.000 0.440 413 F N 0.815 120.859 119.950 0.157 0.000 2.699 413 F HA 0.049 4.576 4.527 -0.000 0.000 0.298 413 F C 1.217 177.126 175.800 0.182 0.000 1.154 413 F CA 0.736 58.800 58.000 0.106 0.000 1.457 413 F CB 0.119 39.086 39.000 -0.056 0.000 1.106 413 F HN -0.062 nan 8.300 nan 0.000 0.585 414 L N -0.702 120.617 121.223 0.159 0.000 2.375 414 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 414 L C 1.539 178.411 176.870 0.004 0.000 1.108 414 L CA 0.296 55.199 54.840 0.104 0.000 0.830 414 L CB -0.575 41.553 42.059 0.116 0.000 0.959 414 L HN 0.102 nan 8.230 nan 0.000 0.457 415 S N -0.036 115.672 115.700 0.014 0.000 2.589 415 S HA 0.285 4.755 4.470 -0.000 0.000 0.265 415 S C -0.285 174.230 174.600 -0.143 0.000 1.342 415 S CA -0.367 57.801 58.200 -0.052 0.000 1.005 415 S CB 1.647 64.839 63.200 -0.013 0.000 0.909 415 S HN 0.299 nan 8.310 nan 0.000 0.555 416 Q N 0.295 119.967 119.800 -0.214 0.000 2.518 416 Q HA 0.326 4.666 4.340 -0.000 0.000 0.254 416 Q C -3.190 172.648 176.000 -0.271 0.000 0.962 416 Q CA -1.576 54.112 55.803 -0.191 0.000 0.982 416 Q CB 1.974 30.670 28.738 -0.070 0.000 1.516 416 Q HN 0.540 nan 8.270 nan 0.000 0.426 417 P HA 0.191 nan 4.420 nan 0.000 0.276 417 P C -1.052 176.328 177.300 0.134 0.000 1.253 417 P CA 0.100 63.174 63.100 -0.043 0.000 0.766 417 P CB 0.040 31.754 31.700 0.023 0.000 0.845 418 F N 1.690 121.670 119.950 0.049 0.000 2.397 418 F HA 0.276 4.803 4.527 -0.000 0.000 0.331 418 F C 2.150 177.971 175.800 0.035 0.000 1.090 418 F CA -1.081 56.946 58.000 0.045 0.000 1.065 418 F CB 0.789 39.825 39.000 0.061 0.000 1.184 418 F HN 0.403 nan 8.300 nan 0.000 0.499 419 Q N 1.225 121.154 119.800 0.215 0.000 2.135 419 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 419 Q C 1.249 177.299 176.000 0.082 0.000 0.981 419 Q CA 1.759 57.623 55.803 0.101 0.000 0.856 419 Q CB 0.062 28.830 28.738 0.050 0.000 0.902 419 Q HN 0.547 nan 8.270 nan 0.000 0.425 420 V N 0.378 120.363 119.914 0.117 0.000 3.217 420 V HA -0.044 4.076 4.120 -0.000 0.000 0.264 420 V C 1.560 177.751 176.094 0.162 0.000 1.135 420 V CA 1.338 63.703 62.300 0.108 0.000 1.142 420 V CB 0.140 32.027 31.823 0.106 0.000 0.754 420 V HN 0.466 nan 8.190 nan 0.000 0.484 421 A N -1.302 121.644 122.820 0.210 0.000 2.470 421 A HA 0.214 4.534 4.320 -0.000 0.000 0.251 421 A C 1.671 179.265 177.584 0.017 0.000 1.245 421 A CA -0.078 52.123 52.037 0.274 0.000 0.932 421 A CB -0.080 19.138 19.000 0.363 0.000 1.037 421 A HN 0.460 nan 8.150 nan 0.000 0.522 422 E N -0.039 120.135 120.200 -0.043 0.000 2.136 422 E HA -0.216 4.134 4.350 -0.000 0.000 0.202 422 E C 1.700 178.168 176.600 -0.220 0.000 1.019 422 E CA 1.771 58.119 56.400 -0.088 0.000 0.819 422 E CB -0.267 29.394 29.700 -0.065 0.000 0.739 422 E HN 0.438 nan 8.360 nan 0.000 0.458 423 V N 0.338 119.987 119.914 -0.441 0.000 2.469 423 V HA -0.244 3.876 4.120 -0.000 0.000 0.251 423 V C 1.662 177.441 176.094 -0.524 0.000 1.064 423 V CA 1.739 63.699 62.300 -0.567 0.000 1.066 423 V CB -0.525 30.827 31.823 -0.786 0.000 0.667 423 V HN 0.239 nan 8.190 nan 0.000 0.461 424 F N 0.195 120.108 119.950 -0.062 0.000 2.714 424 F HA 0.086 4.613 4.527 -0.000 0.000 0.294 424 F C 2.372 178.129 175.800 -0.071 0.000 1.120 424 F CA 0.905 58.861 58.000 -0.074 0.000 1.398 424 F CB -0.995 37.932 39.000 -0.121 0.000 1.120 424 F HN 0.220 nan 8.300 nan 0.000 0.589 425 T N -3.625 110.967 114.554 0.065 0.000 3.039 425 T HA 0.376 4.726 4.350 -0.000 0.000 0.250 425 T C 1.812 176.393 174.700 -0.197 0.000 1.052 425 T CA 0.612 62.737 62.100 0.041 0.000 1.125 425 T CB -0.177 68.757 68.868 0.109 0.000 0.908 425 T HN 0.384 nan 8.240 nan 0.000 0.473 426 G N 1.406 110.072 108.800 -0.224 0.000 2.182 426 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 426 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 426 G C -0.232 174.339 174.900 -0.549 0.000 1.042 426 G CA 0.259 45.154 45.100 -0.342 0.000 0.775 426 G HN 0.890 nan 8.290 nan 0.000 0.501 427 H N -2.119 116.940 119.070 -0.018 0.000 2.928 427 H HA 0.629 5.185 4.556 -0.000 0.000 0.371 427 H C 0.119 175.437 175.328 -0.016 0.000 1.186 427 H CA -1.055 54.981 56.048 -0.020 0.000 1.134 427 H CB 1.657 31.400 29.762 -0.033 0.000 1.824 427 H HN 0.296 nan 8.280 nan 0.000 0.554 428 L N 1.085 122.385 121.223 0.128 0.000 2.473 428 L HA 0.361 4.701 4.340 -0.000 0.000 0.268 428 L C 0.738 177.654 176.870 0.077 0.000 1.215 428 L CA 0.381 55.262 54.840 0.069 0.000 0.823 428 L CB 0.404 42.492 42.059 0.048 0.000 1.099 428 L HN 0.798 nan 8.230 nan 0.000 0.483 429 G N 2.339 111.179 108.800 0.068 0.000 2.539 429 G HA2 0.409 4.369 3.960 -0.000 0.000 0.258 429 G HA3 0.409 4.369 3.960 -0.000 0.000 0.258 429 G C -0.913 174.033 174.900 0.075 0.000 1.202 429 G CA -0.590 44.566 45.100 0.094 0.000 0.851 429 G HN 0.531 nan 8.290 nan 0.000 0.556 430 K N 0.170 120.628 120.400 0.097 0.000 2.427 430 K HA 0.403 4.723 4.320 -0.000 0.000 0.252 430 K C -1.626 175.021 176.600 0.079 0.000 0.931 430 K CA -0.862 55.464 56.287 0.066 0.000 0.793 430 K CB 2.636 35.160 32.500 0.040 0.000 1.211 430 K HN 0.307 nan 8.250 nan 0.000 0.426 431 L N 2.871 124.123 121.223 0.049 0.000 2.353 431 L HA 0.318 4.658 4.340 -0.000 0.000 0.270 431 L C -1.294 175.594 176.870 0.030 0.000 1.003 431 L CA -0.663 54.200 54.840 0.038 0.000 0.862 431 L CB 1.488 43.561 42.059 0.025 0.000 1.221 431 L HN 0.295 nan 8.230 nan 0.000 0.430 432 V N 6.533 126.464 119.914 0.029 0.000 2.407 432 V HA 0.482 4.602 4.120 -0.000 0.000 0.278 432 V C -1.922 174.185 176.094 0.022 0.000 1.037 432 V CA -1.523 60.791 62.300 0.024 0.000 0.900 432 V CB 1.073 32.904 31.823 0.013 0.000 0.983 432 V HN 0.631 nan 8.190 nan 0.000 0.459 433 P HA 0.138 nan 4.420 nan 0.000 0.271 433 P C 0.714 178.026 177.300 0.021 0.000 1.216 433 P CA -0.428 62.685 63.100 0.023 0.000 0.776 433 P CB 0.899 32.614 31.700 0.025 0.000 0.881 434 L N 4.431 125.661 121.223 0.010 0.000 1.991 434 L HA -0.280 4.060 4.340 -0.000 0.000 0.221 434 L C 2.411 179.274 176.870 -0.012 0.000 1.079 434 L CA 2.365 57.196 54.840 -0.015 0.000 0.778 434 L CB -1.207 40.844 42.059 -0.012 0.000 0.893 434 L HN 0.486 nan 8.230 nan 0.000 0.437 435 K N -1.216 119.188 120.400 0.008 0.000 2.089 435 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 435 K C 1.622 178.247 176.600 0.043 0.000 1.048 435 K CA 1.920 58.220 56.287 0.021 0.000 0.926 435 K CB -0.805 31.712 32.500 0.030 0.000 0.714 435 K HN 0.444 nan 8.250 nan 0.000 0.448 436 E N 0.576 120.806 120.200 0.049 0.000 2.268 436 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 436 E C 1.907 178.573 176.600 0.109 0.000 0.995 436 E CA 1.353 57.796 56.400 0.072 0.000 0.836 436 E CB -0.178 29.559 29.700 0.063 0.000 0.763 436 E HN 0.509 nan 8.360 nan 0.000 0.491 437 T N 1.738 116.352 114.554 0.101 0.000 2.851 437 T HA -0.019 4.331 4.350 -0.000 0.000 0.262 437 T C 1.999 176.882 174.700 0.305 0.000 1.043 437 T CA 0.340 62.551 62.100 0.185 0.000 1.140 437 T CB 0.065 69.008 68.868 0.126 0.000 0.872 437 T HN 0.031 nan 8.240 nan 0.000 0.446 438 I N 1.988 122.641 120.570 0.138 0.000 2.127 438 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 438 I C 2.448 178.675 176.117 0.182 0.000 1.075 438 I CA 1.506 62.884 61.300 0.131 0.000 1.334 438 I CB -1.232 36.779 38.000 0.018 0.000 1.040 438 I HN 0.274 nan 8.210 nan 0.000 0.405 439 K N 1.118 121.596 120.400 0.131 0.000 2.000 439 K HA -0.227 4.093 4.320 -0.000 0.000 0.218 439 K C 2.187 178.867 176.600 0.133 0.000 1.053 439 K CA 2.338 58.694 56.287 0.117 0.000 0.946 439 K CB -0.685 31.870 32.500 0.092 0.000 0.723 439 K HN 0.361 nan 8.250 nan 0.000 0.446 440 G N 0.161 109.037 108.800 0.127 0.000 2.469 440 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.219 440 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.219 440 G C 1.305 176.177 174.900 -0.046 0.000 1.150 440 G CA 1.006 46.114 45.100 0.013 0.000 0.763 440 G HN 0.313 nan 8.290 nan 0.000 0.561 441 F N 0.812 120.911 119.950 0.249 0.000 2.206 441 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 441 F C 3.047 178.900 175.800 0.089 0.000 1.090 441 F CA 1.236 59.340 58.000 0.174 0.000 1.323 441 F CB -0.394 38.691 39.000 0.142 0.000 1.028 441 F HN 0.163 nan 8.300 nan 0.000 0.492 442 Q N 0.077 120.021 119.800 0.240 0.000 2.002 442 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 442 Q C 2.199 178.256 176.000 0.094 0.000 0.988 442 Q CA 2.044 57.931 55.803 0.140 0.000 0.843 442 Q CB -0.500 28.302 28.738 0.107 0.000 0.908 442 Q HN 0.516 nan 8.270 nan 0.000 0.420 443 Q N 0.326 120.181 119.800 0.092 0.000 2.061 443 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 443 Q C 2.128 178.161 176.000 0.054 0.000 0.984 443 Q CA 1.368 57.200 55.803 0.050 0.000 0.846 443 Q CB -0.236 28.564 28.738 0.104 0.000 0.902 443 Q HN 0.437 nan 8.270 nan 0.000 0.421 444 I N 0.485 121.105 120.570 0.082 0.000 2.335 444 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 444 I C 2.100 178.217 176.117 -0.000 0.000 1.129 444 I CA 0.993 62.294 61.300 0.001 0.000 1.402 444 I CB -0.307 37.607 38.000 -0.144 0.000 1.069 444 I HN 0.235 nan 8.210 nan 0.000 0.424 445 L N 0.545 121.794 121.223 0.043 0.000 2.109 445 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 445 L C 2.772 179.648 176.870 0.009 0.000 1.086 445 L CA 1.106 55.966 54.840 0.033 0.000 0.760 445 L CB -0.540 41.555 42.059 0.060 0.000 0.910 445 L HN 0.227 nan 8.230 nan 0.000 0.437 446 A N -0.622 122.200 122.820 0.004 0.000 2.119 446 A HA 0.119 4.439 4.320 -0.000 0.000 0.217 446 A C 1.817 179.383 177.584 -0.029 0.000 1.153 446 A CA 1.140 53.169 52.037 -0.013 0.000 0.692 446 A CB -0.415 18.573 19.000 -0.021 0.000 0.799 446 A HN 0.552 nan 8.150 nan 0.000 0.458 447 G N -1.081 107.697 108.800 -0.036 0.000 2.176 447 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.232 447 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.232 447 G C 0.565 175.430 174.900 -0.058 0.000 0.986 447 G CA 0.585 45.664 45.100 -0.035 0.000 0.643 447 G HN 0.542 nan 8.290 nan 0.000 0.522 448 E N -0.881 119.236 120.200 -0.138 0.000 2.160 448 E HA -0.125 4.225 4.350 -0.000 0.000 0.195 448 E C 0.980 177.357 176.600 -0.372 0.000 0.991 448 E CA 1.364 57.588 56.400 -0.293 0.000 0.810 448 E CB -0.110 29.308 29.700 -0.471 0.000 0.742 448 E HN 0.727 nan 8.360 nan 0.000 0.466 449 Y N 0.190 120.466 120.300 -0.040 0.000 2.720 449 Y HA 0.123 4.673 4.550 -0.000 0.000 0.277 449 Y C 0.546 176.350 175.900 -0.161 0.000 1.144 449 Y CA -0.452 57.554 58.100 -0.158 0.000 1.221 449 Y CB 0.439 38.910 38.460 0.018 0.000 1.163 449 Y HN -0.102 nan 8.280 nan 0.000 0.537 450 D N -0.383 120.036 120.400 0.031 0.000 2.392 450 D HA -0.143 4.497 4.640 -0.000 0.000 0.228 450 D C 1.734 178.078 176.300 0.073 0.000 1.003 450 D CA 1.059 55.080 54.000 0.035 0.000 0.917 450 D CB -0.196 40.622 40.800 0.030 0.000 0.890 450 D HN 0.643 nan 8.370 nan 0.000 0.532 451 H N -1.167 117.960 119.070 0.096 0.000 2.586 451 H HA 0.213 4.769 4.556 -0.000 0.000 0.273 451 H C 0.503 175.889 175.328 0.098 0.000 0.997 451 H CA -0.245 55.848 56.048 0.075 0.000 1.177 451 H CB 0.285 30.075 29.762 0.047 0.000 1.471 451 H HN 0.045 nan 8.280 nan 0.000 0.538 452 L N 2.783 123.908 121.223 -0.163 0.000 2.379 452 L HA 0.382 4.722 4.340 -0.000 0.000 0.269 452 L C -2.274 174.645 176.870 0.082 0.000 1.084 452 L CA -2.205 52.603 54.840 -0.052 0.000 0.802 452 L CB 1.351 43.319 42.059 -0.151 0.000 1.175 452 L HN 0.039 nan 8.230 nan 0.000 0.448 453 P HA 0.192 nan 4.420 nan 0.000 0.285 453 P C -0.010 177.364 177.300 0.124 0.000 1.259 453 P CA -0.482 62.658 63.100 0.067 0.000 0.794 453 P CB 1.073 32.789 31.700 0.027 0.000 0.940 454 E N 1.843 122.135 120.200 0.152 0.000 2.113 454 E HA -0.318 4.032 4.350 -0.000 0.000 0.210 454 E C 1.835 178.567 176.600 0.220 0.000 1.040 454 E CA 1.711 58.235 56.400 0.207 0.000 0.847 454 E CB -0.177 29.576 29.700 0.088 0.000 0.755 454 E HN 0.600 nan 8.360 nan 0.000 0.459 455 Q N 0.353 120.218 119.800 0.107 0.000 2.368 455 Q HA -0.151 4.189 4.340 -0.000 0.000 0.210 455 Q C 2.000 178.046 176.000 0.077 0.000 0.982 455 Q CA 1.458 57.317 55.803 0.093 0.000 0.884 455 Q CB -0.300 28.463 28.738 0.041 0.000 0.933 455 Q HN 0.267 nan 8.270 nan 0.000 0.460 456 A N 0.810 123.613 122.820 -0.029 0.000 1.930 456 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 456 A C 1.525 178.905 177.584 -0.341 0.000 1.175 456 A CA 0.899 52.782 52.037 -0.256 0.000 0.627 456 A CB -0.718 17.997 19.000 -0.475 0.000 0.815 456 A HN 0.349 nan 8.150 nan 0.000 0.443 457 F N -2.173 117.758 119.950 -0.031 0.000 2.811 457 F HA 0.148 4.675 4.527 -0.000 0.000 0.301 457 F C 0.746 176.640 175.800 0.156 0.000 1.151 457 F CA -0.105 57.900 58.000 0.007 0.000 1.412 457 F CB -0.408 38.573 39.000 -0.031 0.000 1.113 457 F HN 0.300 nan 8.300 nan 0.000 0.579 458 Y N 1.091 121.463 120.300 0.121 0.000 2.304 458 Y HA 0.309 4.859 4.550 -0.000 0.000 0.328 458 Y C 0.735 176.633 175.900 -0.004 0.000 1.123 458 Y CA -1.683 56.465 58.100 0.080 0.000 1.218 458 Y CB 0.375 38.873 38.460 0.064 0.000 1.207 458 Y HN 0.029 nan 8.280 nan 0.000 0.495 459 M N 5.883 125.078 119.600 -0.676 0.000 2.212 459 M HA -0.171 4.309 4.480 -0.000 0.000 0.193 459 M C -0.992 175.089 176.300 -0.365 0.000 0.493 459 M CA 1.088 56.014 55.300 -0.623 0.000 0.427 459 M CB -2.572 29.509 32.600 -0.865 0.000 1.120 459 M HN 0.484 nan 8.290 nan 0.000 0.929 460 V N -2.988 116.823 119.914 -0.173 0.000 3.145 460 V HA 1.096 5.216 4.120 -0.000 0.000 0.311 460 V C 0.708 176.777 176.094 -0.043 0.000 1.238 460 V CA 0.050 62.291 62.300 -0.098 0.000 1.066 460 V CB 1.601 33.401 31.823 -0.039 0.000 1.144 460 V HN 0.385 nan 8.190 nan 0.000 0.465 461 G N -0.107 108.692 108.800 -0.003 0.000 2.766 461 G HA2 0.467 4.427 3.960 -0.000 0.000 0.206 461 G HA3 0.467 4.427 3.960 -0.000 0.000 0.206 461 G C -2.261 172.683 174.900 0.074 0.000 2.072 461 G CA -0.142 44.964 45.100 0.010 0.000 0.798 461 G HN 0.787 nan 8.290 nan 0.000 0.703 462 P HA 0.192 nan 4.420 nan 0.000 0.277 462 P C 0.684 178.070 177.300 0.143 0.000 1.240 462 P CA -0.560 62.617 63.100 0.129 0.000 0.798 462 P CB 2.046 33.782 31.700 0.060 0.000 0.979 463 I N 2.143 122.789 120.570 0.125 0.000 2.300 463 I HA -0.314 3.856 4.170 -0.000 0.000 0.252 463 I C 1.810 177.767 176.117 -0.267 0.000 1.119 463 I CA 1.873 63.029 61.300 -0.240 0.000 1.384 463 I CB -0.652 37.156 38.000 -0.320 0.000 1.062 463 I HN 0.331 nan 8.210 nan 0.000 0.426 464 E N 0.556 120.686 120.200 -0.116 0.000 2.130 464 E HA -0.265 4.085 4.350 -0.000 0.000 0.196 464 E C 2.036 178.553 176.600 -0.139 0.000 0.998 464 E CA 1.872 58.211 56.400 -0.102 0.000 0.806 464 E CB -0.374 29.305 29.700 -0.034 0.000 0.738 464 E HN 0.637 nan 8.360 nan 0.000 0.459 465 E N 0.329 120.459 120.200 -0.118 0.000 2.268 465 E HA -0.098 4.252 4.350 -0.000 0.000 0.195 465 E C 2.010 178.480 176.600 -0.217 0.000 0.995 465 E CA 0.694 57.019 56.400 -0.125 0.000 0.836 465 E CB -0.130 29.522 29.700 -0.079 0.000 0.763 465 E HN 0.306 nan 8.360 nan 0.000 0.491 466 A N 1.143 123.759 122.820 -0.339 0.000 1.933 466 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 466 A C 2.475 179.711 177.584 -0.580 0.000 1.175 466 A CA 1.085 52.761 52.037 -0.601 0.000 0.628 466 A CB -0.503 17.875 19.000 -1.037 0.000 0.814 466 A HN 0.112 nan 8.150 nan 0.000 0.444 467 V N -0.228 119.421 119.914 -0.441 0.000 2.255 467 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 467 V C 3.070 179.058 176.094 -0.177 0.000 1.038 467 V CA 1.790 63.920 62.300 -0.283 0.000 1.008 467 V CB -1.440 30.291 31.823 -0.153 0.000 0.645 467 V HN 0.598 nan 8.190 nan 0.000 0.449 468 A N 0.058 122.794 122.820 -0.141 0.000 1.915 468 A HA -0.372 3.948 4.320 -0.000 0.000 0.220 468 A C 2.338 179.860 177.584 -0.104 0.000 1.198 468 A CA 2.772 54.751 52.037 -0.096 0.000 0.647 468 A CB -0.642 18.310 19.000 -0.080 0.000 0.825 468 A HN 0.559 nan 8.150 nan 0.000 0.456 469 K N -0.652 119.660 120.400 -0.147 0.000 2.097 469 K HA -0.009 4.311 4.320 -0.000 0.000 0.205 469 K C 2.158 178.683 176.600 -0.126 0.000 1.050 469 K CA 1.106 57.316 56.287 -0.129 0.000 0.938 469 K CB -0.331 32.080 32.500 -0.150 0.000 0.718 469 K HN 0.392 nan 8.250 nan 0.000 0.442 470 A N 1.590 124.303 122.820 -0.178 0.000 1.858 470 A HA -0.225 4.095 4.320 -0.000 0.000 0.216 470 A C 1.598 179.141 177.584 -0.069 0.000 1.190 470 A CA 2.204 54.156 52.037 -0.141 0.000 0.617 470 A CB -0.880 18.009 19.000 -0.186 0.000 0.827 470 A HN 0.462 nan 8.150 nan 0.000 0.443 471 D N -0.702 119.663 120.400 -0.057 0.000 2.106 471 D HA -0.202 4.438 4.640 -0.000 0.000 0.191 471 D C 1.957 178.243 176.300 -0.023 0.000 0.997 471 D CA 1.829 55.813 54.000 -0.027 0.000 0.834 471 D CB -0.126 40.660 40.800 -0.023 0.000 0.956 471 D HN 0.525 nan 8.370 nan 0.000 0.448 472 K N 0.115 120.497 120.400 -0.031 0.000 2.113 472 K HA -0.155 4.165 4.320 -0.000 0.000 0.208 472 K C 1.919 178.510 176.600 -0.014 0.000 1.047 472 K CA 0.905 57.180 56.287 -0.020 0.000 0.928 472 K CB -0.092 32.395 32.500 -0.022 0.000 0.716 472 K HN 0.166 nan 8.250 nan 0.000 0.446 473 L N 0.304 121.515 121.223 -0.020 0.000 2.156 473 L HA 0.002 4.342 4.340 -0.000 0.000 0.208 473 L C 1.052 177.919 176.870 -0.004 0.000 1.095 473 L CA 0.435 55.269 54.840 -0.011 0.000 0.770 473 L CB -0.646 41.402 42.059 -0.017 0.000 0.914 473 L HN 0.329 nan 8.230 nan 0.000 0.439 474 A N 0.000 122.817 122.820 -0.005 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.039 52.037 0.003 0.000 0.836 474 A CB 0.000 19.002 19.000 0.002 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486