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 1ohh_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.786 174.700 0.143 0.000 1.109 9 T CA 0.000 62.178 62.100 0.130 0.000 1.349 9 T CB 0.000 68.987 68.868 0.198 0.000 0.612 10 T N 2.097 116.663 114.554 0.021 0.000 2.824 10 T HA 0.775 5.125 4.350 0.000 0.000 0.280 10 T C 0.657 175.097 174.700 -0.432 0.000 0.995 10 T CA -0.260 61.759 62.100 -0.135 0.000 1.009 10 T CB 1.438 70.244 68.868 -0.103 0.000 0.955 10 T HN 1.083 nan 8.240 nan 0.000 0.452 11 G N 1.726 110.027 108.800 -0.831 0.000 2.597 11 G HA2 0.726 4.686 3.960 0.000 0.000 0.317 11 G HA3 0.726 4.686 3.960 0.000 0.000 0.317 11 G C -1.127 173.452 174.900 -0.536 0.000 1.230 11 G CA -0.960 43.425 45.100 -1.191 0.000 0.996 11 G HN 0.602 nan 8.290 nan 0.000 0.490 12 R N -0.014 120.258 120.500 -0.380 0.000 2.502 12 R HA 0.302 4.642 4.340 0.000 0.000 0.300 12 R C -0.434 175.793 176.300 -0.123 0.000 0.984 12 R CA -0.739 55.245 56.100 -0.193 0.000 0.882 12 R CB 2.333 32.553 30.300 -0.133 0.000 1.180 12 R HN 0.391 nan 8.270 nan 0.000 0.444 13 I N 3.742 124.263 120.570 -0.082 0.000 2.828 13 I HA -0.139 4.031 4.170 0.000 0.000 0.292 13 I C 1.383 177.486 176.117 -0.024 0.000 1.206 13 I CA 0.517 61.797 61.300 -0.034 0.000 1.420 13 I CB 0.670 38.658 38.000 -0.020 0.000 1.368 13 I HN 0.564 nan 8.210 nan 0.000 0.556 14 V N 3.174 123.084 119.914 -0.007 0.000 3.502 14 V HA 0.595 4.715 4.120 0.000 0.000 0.288 14 V C 0.412 176.509 176.094 0.005 0.000 1.461 14 V CA 0.188 62.486 62.300 -0.003 0.000 1.029 14 V CB 0.286 32.109 31.823 0.000 0.000 0.843 14 V HN 0.730 nan 8.190 nan 0.000 0.438 15 A N 0.112 122.938 122.820 0.011 0.000 2.480 15 A HA 0.762 5.082 4.320 0.000 0.000 0.289 15 A C -1.243 176.351 177.584 0.016 0.000 1.044 15 A CA -0.304 51.741 52.037 0.013 0.000 0.761 15 A CB 1.852 20.862 19.000 0.017 0.000 1.289 15 A HN 0.507 nan 8.150 nan 0.000 0.401 16 V N 3.602 123.523 119.914 0.011 0.000 2.447 16 V HA 0.502 4.622 4.120 0.000 0.000 0.292 16 V C -0.575 175.524 176.094 0.010 0.000 1.021 16 V CA -0.068 62.239 62.300 0.012 0.000 0.850 16 V CB 1.361 33.190 31.823 0.009 0.000 1.005 16 V HN 0.755 nan 8.190 nan 0.000 0.426 17 I N 4.789 125.365 120.570 0.011 0.000 2.623 17 I HA 0.590 4.760 4.170 0.000 0.000 0.275 17 I C 0.934 177.055 176.117 0.008 0.000 1.108 17 I CA 0.052 61.357 61.300 0.008 0.000 1.120 17 I CB 1.161 39.165 38.000 0.008 0.000 1.249 17 I HN 0.877 nan 8.210 nan 0.000 0.500 18 G N 3.859 112.663 108.800 0.007 0.000 2.552 18 G HA2 -0.302 3.658 3.960 0.000 0.000 0.265 18 G HA3 -0.302 3.658 3.960 0.000 0.000 0.265 18 G C 0.787 175.693 174.900 0.010 0.000 1.234 18 G CA 0.127 45.232 45.100 0.007 0.000 0.944 18 G HN 0.788 nan 8.290 nan 0.000 0.568 19 A N -0.757 122.069 122.820 0.010 0.000 2.263 19 A HA 0.475 4.795 4.320 0.000 0.000 0.205 19 A C 0.935 178.529 177.584 0.016 0.000 1.226 19 A CA 1.739 53.784 52.037 0.013 0.000 0.810 19 A CB -0.360 18.647 19.000 0.011 0.000 0.784 19 A HN 1.550 nan 8.150 nan 0.000 0.486 20 V N 0.276 120.199 119.914 0.015 0.000 2.459 20 V HA 0.475 4.595 4.120 0.000 0.000 0.295 20 V C -0.589 175.519 176.094 0.023 0.000 1.029 20 V CA -0.423 61.888 62.300 0.019 0.000 0.874 20 V CB 1.746 33.578 31.823 0.015 0.000 0.985 20 V HN 0.080 nan 8.190 nan 0.000 0.438 21 V N 3.723 123.655 119.914 0.031 0.000 2.686 21 V HA 0.511 4.631 4.120 0.000 0.000 0.306 21 V C -1.149 174.975 176.094 0.050 0.000 1.065 21 V CA -0.839 61.483 62.300 0.036 0.000 0.894 21 V CB 2.298 34.145 31.823 0.039 0.000 1.004 21 V HN 0.808 nan 8.190 nan 0.000 0.424 22 D N 3.297 123.726 120.400 0.048 0.000 2.303 22 D HA 0.567 5.207 4.640 0.000 0.000 0.236 22 D C -0.672 175.672 176.300 0.072 0.000 1.068 22 D CA -0.118 53.919 54.000 0.062 0.000 0.830 22 D CB 2.551 43.379 40.800 0.046 0.000 1.109 22 D HN 0.274 nan 8.370 nan 0.000 0.496 23 V N 2.073 122.062 119.914 0.125 0.000 2.555 23 V HA 0.307 4.428 4.120 0.000 0.000 0.302 23 V C 0.035 176.247 176.094 0.196 0.000 1.038 23 V CA -0.905 61.478 62.300 0.137 0.000 0.887 23 V CB 2.105 34.070 31.823 0.237 0.000 0.991 23 V HN 0.414 nan 8.190 nan 0.000 0.434 24 Q N 2.952 122.791 119.800 0.064 0.000 2.314 24 Q HA 0.532 4.872 4.340 0.000 0.000 0.259 24 Q C -1.884 174.122 176.000 0.011 0.000 0.951 24 Q CA -0.468 55.388 55.803 0.090 0.000 0.909 24 Q CB 1.009 29.759 28.738 0.020 0.000 1.236 24 Q HN 0.622 nan 8.270 nan 0.000 0.444 25 F N 3.164 123.091 119.950 -0.039 0.000 2.411 25 F HA 0.225 4.752 4.527 0.000 0.000 0.352 25 F C 0.845 176.621 175.800 -0.039 0.000 1.123 25 F CA -0.793 57.185 58.000 -0.037 0.000 1.044 25 F CB 1.468 40.441 39.000 -0.045 0.000 1.135 25 F HN 0.645 nan 8.300 nan 0.000 0.461 26 D N 1.986 122.431 120.400 0.075 0.000 2.097 26 D HA -0.104 4.536 4.640 0.000 0.000 0.197 26 D C 1.250 177.582 176.300 0.054 0.000 0.984 26 D CA 1.658 55.683 54.000 0.043 0.000 0.826 26 D CB 0.345 41.149 40.800 0.006 0.000 0.973 26 D HN 0.666 nan 8.370 nan 0.000 0.460 27 E N -0.019 120.225 120.200 0.073 0.000 2.933 27 E HA 0.291 4.641 4.350 0.000 0.000 0.301 27 E C 0.939 177.574 176.600 0.060 0.000 0.836 27 E CA -0.153 56.279 56.400 0.054 0.000 1.213 27 E CB -0.234 29.491 29.700 0.042 0.000 2.349 27 E HN 0.022 nan 8.360 nan 0.000 0.558 28 G N 1.492 110.336 108.800 0.073 0.000 2.334 28 G HA2 0.299 4.259 3.960 0.000 0.000 0.261 28 G HA3 0.299 4.259 3.960 0.000 0.000 0.261 28 G C -0.864 174.036 174.900 0.001 0.000 1.257 28 G CA -0.081 45.042 45.100 0.038 0.000 0.935 28 G HN -0.022 nan 8.290 nan 0.000 0.480 29 L N 5.661 126.815 121.223 -0.116 0.000 2.275 29 L HA 0.454 4.794 4.340 0.000 0.000 0.288 29 L C -1.711 174.955 176.870 -0.339 0.000 1.046 29 L CA -2.225 52.423 54.840 -0.320 0.000 0.805 29 L CB 1.629 43.485 42.059 -0.338 0.000 1.193 29 L HN 0.345 nan 8.230 nan 0.000 0.426 30 P HA 0.204 nan 4.420 nan 0.000 0.276 30 P C -2.669 174.617 177.300 -0.023 0.000 1.253 30 P CA -1.156 61.759 63.100 -0.309 0.000 0.766 30 P CB 0.279 31.684 31.700 -0.493 0.000 0.845 31 P HA 0.014 nan 4.420 nan 0.000 0.272 31 P C 0.530 177.793 177.300 -0.060 0.000 1.243 31 P CA 0.091 63.206 63.100 0.024 0.000 0.803 31 P CB 0.845 32.531 31.700 -0.024 0.000 0.974 32 I N 1.031 121.476 120.570 -0.208 0.000 2.588 32 I HA -0.026 4.144 4.170 0.000 0.000 0.283 32 I C 1.531 177.566 176.117 -0.136 0.000 1.119 32 I CA 0.269 61.450 61.300 -0.198 0.000 1.419 32 I CB -0.151 37.693 38.000 -0.261 0.000 1.394 32 I HN 0.429 nan 8.210 nan 0.000 0.562 33 L N 2.875 124.031 121.223 -0.112 0.000 4.586 33 L HA -0.237 4.103 4.340 0.000 0.000 0.401 33 L C -0.083 176.795 176.870 0.012 0.000 0.854 33 L CA 0.112 54.889 54.840 -0.105 0.000 1.918 33 L CB -1.567 40.340 42.059 -0.253 0.000 1.631 33 L HN 0.683 nan 8.230 nan 0.000 0.579 34 N N 1.327 120.025 118.700 -0.003 0.000 2.470 34 N HA 0.506 5.246 4.740 0.000 0.000 0.268 34 N C 0.314 175.845 175.510 0.036 0.000 1.136 34 N CA 0.818 53.878 53.050 0.016 0.000 0.961 34 N CB 1.160 39.637 38.487 -0.016 0.000 1.067 34 N HN 0.297 nan 8.380 nan 0.000 0.468 35 A N 3.123 125.974 122.820 0.053 0.000 2.401 35 A HA 0.439 4.760 4.320 0.000 0.000 0.259 35 A C -0.252 177.370 177.584 0.064 0.000 1.103 35 A CA -0.260 51.812 52.037 0.060 0.000 0.789 35 A CB 0.032 19.065 19.000 0.056 0.000 1.035 35 A HN 0.664 nan 8.150 nan 0.000 0.491 36 L N 1.967 123.239 121.223 0.082 0.000 2.342 36 L HA 0.487 4.827 4.340 0.000 0.000 0.271 36 L C -0.165 176.755 176.870 0.083 0.000 1.008 36 L CA -0.757 54.153 54.840 0.117 0.000 0.818 36 L CB 1.756 43.925 42.059 0.184 0.000 1.296 36 L HN 0.625 nan 8.230 nan 0.000 0.427 37 E N 2.186 122.430 120.200 0.072 0.000 2.133 37 E HA 0.317 4.667 4.350 0.000 0.000 0.274 37 E C -0.851 175.769 176.600 0.033 0.000 0.930 37 E CA -0.597 55.829 56.400 0.043 0.000 0.770 37 E CB 2.615 32.332 29.700 0.028 0.000 1.104 37 E HN 0.185 nan 8.360 nan 0.000 0.403 38 V N 3.754 123.683 119.914 0.026 0.000 2.614 38 V HA 0.025 4.145 4.120 0.000 0.000 0.291 38 V C 0.487 176.583 176.094 0.003 0.000 1.049 38 V CA -0.370 61.938 62.300 0.013 0.000 1.038 38 V CB 0.937 32.768 31.823 0.014 0.000 0.980 38 V HN 0.480 nan 8.190 nan 0.000 0.481 39 Q N 2.454 122.249 119.800 -0.008 0.000 2.245 39 Q HA 0.536 4.876 4.340 0.000 0.000 0.256 39 Q C 0.856 176.849 176.000 -0.010 0.000 0.942 39 Q CA 0.329 56.125 55.803 -0.011 0.000 0.896 39 Q CB 1.615 30.342 28.738 -0.019 0.000 1.272 39 Q HN 1.156 nan 8.270 nan 0.000 0.442 40 G N 2.264 111.059 108.800 -0.007 0.000 2.164 40 G HA2 -0.212 3.748 3.960 0.000 0.000 0.212 40 G HA3 -0.212 3.748 3.960 0.000 0.000 0.212 40 G C -0.158 174.740 174.900 -0.003 0.000 1.031 40 G CA -0.284 44.812 45.100 -0.007 0.000 0.730 40 G HN 0.441 nan 8.290 nan 0.000 0.501 41 R N -0.719 119.781 120.500 -0.000 0.000 2.807 41 R HA 0.526 4.867 4.340 0.000 0.000 0.276 41 R C 0.770 177.073 176.300 0.004 0.000 0.979 41 R CA -0.996 55.105 56.100 0.003 0.000 0.928 41 R CB 1.217 31.520 30.300 0.005 0.000 1.191 41 R HN 0.058 nan 8.270 nan 0.000 0.471 42 E N 0.907 121.110 120.200 0.005 0.000 1.998 42 E HA -0.100 4.250 4.350 0.000 0.000 0.196 42 E C 0.860 177.465 176.600 0.007 0.000 1.003 42 E CA 1.727 58.131 56.400 0.006 0.000 0.829 42 E CB -0.563 29.141 29.700 0.006 0.000 0.777 42 E HN 0.728 nan 8.360 nan 0.000 0.460 43 T N -0.370 114.189 114.554 0.009 0.000 2.732 43 T HA 0.285 4.635 4.350 0.000 0.000 0.287 43 T C 0.584 175.291 174.700 0.012 0.000 0.993 43 T CA -0.730 61.377 62.100 0.011 0.000 0.966 43 T CB 1.209 70.085 68.868 0.013 0.000 1.047 43 T HN -0.002 nan 8.240 nan 0.000 0.527 44 R N 0.319 120.827 120.500 0.014 0.000 2.254 44 R HA 0.445 4.785 4.340 0.000 0.000 0.318 44 R C -1.237 175.074 176.300 0.018 0.000 1.031 44 R CA -0.790 55.319 56.100 0.015 0.000 0.905 44 R CB 0.224 30.534 30.300 0.017 0.000 1.050 44 R HN 0.532 nan 8.270 nan 0.000 0.456 45 L N 6.308 127.542 121.223 0.019 0.000 2.301 45 L HA 0.337 4.677 4.340 0.000 0.000 0.278 45 L C -1.339 175.548 176.870 0.028 0.000 1.022 45 L CA -0.452 54.401 54.840 0.022 0.000 0.854 45 L CB 1.542 43.612 42.059 0.019 0.000 1.226 45 L HN 0.341 nan 8.230 nan 0.000 0.429 46 V N 6.275 126.208 119.914 0.032 0.000 2.509 46 V HA 0.415 4.535 4.120 0.000 0.000 0.284 46 V C 0.128 176.250 176.094 0.046 0.000 1.047 46 V CA -0.490 61.834 62.300 0.040 0.000 0.952 46 V CB 1.545 33.392 31.823 0.040 0.000 0.988 46 V HN 0.581 nan 8.190 nan 0.000 0.469 47 L N 4.428 125.685 121.223 0.057 0.000 2.319 47 L HA 0.555 4.895 4.340 0.000 0.000 0.281 47 L C 0.094 177.004 176.870 0.067 0.000 1.005 47 L CA -0.299 54.578 54.840 0.062 0.000 0.828 47 L CB 1.526 43.629 42.059 0.074 0.000 1.227 47 L HN 0.659 nan 8.230 nan 0.000 0.415 48 E N 3.017 123.254 120.200 0.063 0.000 2.229 48 E HA 0.312 4.662 4.350 0.000 0.000 0.283 48 E C -0.567 176.061 176.600 0.046 0.000 1.030 48 E CA -0.710 55.730 56.400 0.066 0.000 0.836 48 E CB 1.535 31.289 29.700 0.090 0.000 1.068 48 E HN 0.344 nan 8.360 nan 0.000 0.401 49 V N 3.645 123.578 119.914 0.032 0.000 2.901 49 V HA 0.103 4.223 4.120 0.000 0.000 0.307 49 V C 0.924 177.008 176.094 -0.015 0.000 1.084 49 V CA 1.301 63.609 62.300 0.013 0.000 1.184 49 V CB 1.105 32.924 31.823 -0.007 0.000 0.941 49 V HN 0.942 nan 8.190 nan 0.000 0.493 50 A N 3.118 125.930 122.820 -0.014 0.000 2.167 50 A HA 0.385 4.705 4.320 0.000 0.000 0.184 50 A C 0.387 177.942 177.584 -0.048 0.000 1.675 50 A CA 0.016 52.031 52.037 -0.036 0.000 1.215 50 A CB 0.574 19.566 19.000 -0.013 0.000 1.427 50 A HN 0.750 nan 8.150 nan 0.000 0.457 51 Q N -0.810 118.983 119.800 -0.012 0.000 2.472 51 Q HA 0.335 4.675 4.340 0.000 0.000 0.281 51 Q C -1.737 174.338 176.000 0.124 0.000 0.997 51 Q CA -0.543 55.259 55.803 -0.002 0.000 0.828 51 Q CB 1.781 30.528 28.738 0.014 0.000 1.443 51 Q HN 0.595 nan 8.270 nan 0.000 0.390 52 H N 2.445 121.498 119.070 -0.028 0.000 2.700 52 H HA 0.240 4.796 4.556 0.000 0.000 0.269 52 H C 0.788 176.108 175.328 -0.012 0.000 1.222 52 H CA -0.259 55.774 56.048 -0.026 0.000 1.254 52 H CB 0.648 30.389 29.762 -0.036 0.000 1.413 52 H HN 0.444 nan 8.280 nan 0.000 0.507 53 L N 2.358 123.641 121.223 0.100 0.000 2.353 53 L HA -0.033 4.307 4.340 0.000 0.000 0.220 53 L C 1.296 178.189 176.870 0.037 0.000 1.133 53 L CA 0.883 55.756 54.840 0.055 0.000 0.798 53 L CB -0.355 41.729 42.059 0.042 0.000 0.922 53 L HN 0.829 nan 8.230 nan 0.000 0.445 54 G N -0.275 108.541 108.800 0.026 0.000 2.603 54 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 54 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 54 G C -0.063 174.835 174.900 -0.003 0.000 1.286 54 G CA -0.425 44.680 45.100 0.008 0.000 0.871 54 G HN 0.298 nan 8.290 nan 0.000 0.568 55 E N -0.883 119.314 120.200 -0.005 0.000 2.297 55 E HA -0.201 4.150 4.350 0.000 0.000 0.228 55 E C 1.115 177.715 176.600 -0.001 0.000 1.213 55 E CA 1.050 57.449 56.400 -0.002 0.000 0.712 55 E CB -1.541 28.162 29.700 0.005 0.000 1.202 55 E HN 1.993 nan 8.360 nan 0.000 0.376 56 S N -2.215 113.473 115.700 -0.019 0.000 3.319 56 S HA -0.245 4.225 4.470 0.000 0.000 0.319 56 S C 0.293 174.909 174.600 0.026 0.000 1.236 56 S CA 1.611 59.804 58.200 -0.012 0.000 0.964 56 S CB -1.049 62.165 63.200 0.023 0.000 1.040 56 S HN 0.482 nan 8.310 nan 0.000 0.620 57 T N 1.592 116.151 114.554 0.009 0.000 2.797 57 T HA 0.627 4.977 4.350 0.000 0.000 0.279 57 T C 0.206 174.924 174.700 0.031 0.000 0.991 57 T CA -0.285 61.845 62.100 0.050 0.000 0.979 57 T CB 1.823 70.716 68.868 0.041 0.000 0.943 57 T HN 0.536 nan 8.240 nan 0.000 0.444 58 V N 1.393 121.355 119.914 0.079 0.000 2.769 58 V HA 0.802 4.922 4.120 0.000 0.000 0.312 58 V C -0.349 175.806 176.094 0.102 0.000 1.061 58 V CA -1.400 60.952 62.300 0.086 0.000 0.931 58 V CB 1.875 33.729 31.823 0.051 0.000 1.010 58 V HN 0.892 nan 8.190 nan 0.000 0.433 59 R N 2.033 122.587 120.500 0.090 0.000 2.668 59 R HA 0.878 5.218 4.340 0.000 0.000 0.279 59 R C -0.341 175.995 176.300 0.061 0.000 0.976 59 R CA 0.427 56.567 56.100 0.067 0.000 0.978 59 R CB 1.971 32.299 30.300 0.047 0.000 1.133 59 R HN 1.214 nan 8.270 nan 0.000 0.484 60 T N 0.617 115.203 114.554 0.054 0.000 2.792 60 T HA 0.457 4.807 4.350 0.000 0.000 0.303 60 T C -0.347 174.376 174.700 0.038 0.000 1.310 60 T CA -1.013 61.116 62.100 0.048 0.000 1.007 60 T CB 0.993 69.900 68.868 0.066 0.000 1.335 60 T HN 0.623 nan 8.240 nan 0.000 0.504 61 I N -0.185 120.407 120.570 0.037 0.000 2.389 61 I HA 0.836 5.006 4.170 0.000 0.000 0.288 61 I C 0.192 176.331 176.117 0.038 0.000 0.999 61 I CA -1.376 59.943 61.300 0.032 0.000 1.129 61 I CB 1.193 39.209 38.000 0.028 0.000 1.288 61 I HN 0.942 nan 8.210 nan 0.000 0.444 62 A N 6.834 129.674 122.820 0.033 0.000 2.407 62 A HA 0.463 4.783 4.320 0.000 0.000 0.248 62 A C 0.791 178.395 177.584 0.033 0.000 1.082 62 A CA -0.386 51.671 52.037 0.034 0.000 0.785 62 A CB 0.527 19.544 19.000 0.028 0.000 1.020 62 A HN 0.865 nan 8.150 nan 0.000 0.489 63 M N 0.603 120.224 119.600 0.034 0.000 2.428 63 M HA 0.232 4.712 4.480 0.000 0.000 0.239 63 M C -0.215 176.102 176.300 0.028 0.000 1.121 63 M CA 0.463 55.783 55.300 0.033 0.000 1.019 63 M CB -1.240 31.382 32.600 0.036 0.000 1.485 63 M HN 0.838 nan 8.290 nan 0.000 0.484 64 D N -1.517 118.898 120.400 0.025 0.000 2.671 64 D HA 0.496 5.136 4.640 0.000 0.000 0.273 64 D C -0.152 176.159 176.300 0.018 0.000 1.264 64 D CA -0.098 53.915 54.000 0.021 0.000 0.788 64 D CB 1.047 41.859 40.800 0.021 0.000 1.324 64 D HN 0.152 nan 8.370 nan 0.000 0.424 65 G N -0.717 108.093 108.800 0.016 0.000 2.971 65 G HA2 0.236 4.196 3.960 0.000 0.000 0.227 65 G HA3 0.236 4.196 3.960 0.000 0.000 0.227 65 G C 0.684 175.592 174.900 0.014 0.000 1.214 65 G CA 0.887 45.995 45.100 0.013 0.000 0.854 65 G HN 0.639 nan 8.290 nan 0.000 0.566 66 T N -2.457 112.104 114.554 0.012 0.000 3.275 66 T HA 0.310 4.660 4.350 0.000 0.000 0.298 66 T C 0.050 174.755 174.700 0.009 0.000 0.988 66 T CA -0.059 62.048 62.100 0.011 0.000 0.936 66 T CB 0.308 69.183 68.868 0.013 0.000 1.159 66 T HN 0.606 nan 8.240 nan 0.000 0.519 67 E N 1.319 121.524 120.200 0.008 0.000 2.360 67 E HA 0.570 4.920 4.350 0.000 0.000 0.269 67 E C 1.363 177.966 176.600 0.005 0.000 1.022 67 E CA 0.119 56.523 56.400 0.006 0.000 0.887 67 E CB 0.166 29.870 29.700 0.006 0.000 0.990 67 E HN 0.331 nan 8.360 nan 0.000 0.426 68 G N 1.926 110.728 108.800 0.003 0.000 2.279 68 G HA2 -0.268 3.692 3.960 0.000 0.000 0.223 68 G HA3 -0.268 3.692 3.960 0.000 0.000 0.223 68 G C 0.126 175.027 174.900 0.001 0.000 1.015 68 G CA -0.131 44.970 45.100 0.002 0.000 0.621 68 G HN 0.459 nan 8.290 nan 0.000 0.506 69 L N 1.118 122.342 121.223 0.002 0.000 2.506 69 L HA 0.439 4.779 4.340 0.000 0.000 0.281 69 L C 0.588 177.456 176.870 -0.002 0.000 1.228 69 L CA 0.122 54.962 54.840 0.000 0.000 0.850 69 L CB 0.858 42.919 42.059 0.003 0.000 1.110 69 L HN 0.081 nan 8.230 nan 0.000 0.496 70 V N 2.699 122.610 119.914 -0.006 0.000 2.876 70 V HA 0.365 4.485 4.120 0.000 0.000 0.312 70 V C -0.076 176.011 176.094 -0.012 0.000 1.085 70 V CA -0.931 61.364 62.300 -0.008 0.000 0.945 70 V CB 2.213 34.030 31.823 -0.010 0.000 1.017 70 V HN 0.653 nan 8.190 nan 0.000 0.428 71 R N 2.079 122.572 120.500 -0.011 0.000 2.421 71 R HA 0.461 4.801 4.340 0.000 0.000 0.305 71 R C 1.169 177.456 176.300 -0.021 0.000 1.039 71 R CA 0.976 57.068 56.100 -0.014 0.000 1.003 71 R CB 0.195 30.489 30.300 -0.010 0.000 0.959 71 R HN 1.181 nan 8.270 nan 0.000 0.427 72 G N 1.958 110.739 108.800 -0.031 0.000 2.278 72 G HA2 -0.279 3.682 3.960 0.000 0.000 0.210 72 G HA3 -0.279 3.682 3.960 0.000 0.000 0.210 72 G C 0.191 175.062 174.900 -0.048 0.000 1.000 72 G CA -0.375 44.701 45.100 -0.040 0.000 0.635 72 G HN 0.577 nan 8.290 nan 0.000 0.495 73 Q N 1.744 121.521 119.800 -0.039 0.000 2.304 73 Q HA 0.326 4.666 4.340 0.000 0.000 0.301 73 Q C 0.452 176.417 176.000 -0.059 0.000 1.063 73 Q CA 0.383 56.163 55.803 -0.039 0.000 0.947 73 Q CB 0.299 29.021 28.738 -0.026 0.000 1.201 73 Q HN 0.515 nan 8.270 nan 0.000 0.389 74 K N 1.487 121.850 120.400 -0.062 0.000 2.319 74 K HA 0.277 4.597 4.320 0.000 0.000 0.265 74 K C -0.892 175.657 176.600 -0.084 0.000 1.000 74 K CA -0.298 55.937 56.287 -0.086 0.000 0.943 74 K CB 0.823 33.282 32.500 -0.069 0.000 0.950 74 K HN 0.307 nan 8.250 nan 0.000 0.485 75 V N 2.934 122.771 119.914 -0.129 0.000 2.777 75 V HA 0.302 4.422 4.120 0.000 0.000 0.306 75 V C -0.780 175.271 176.094 -0.072 0.000 1.112 75 V CA -0.923 61.325 62.300 -0.086 0.000 0.917 75 V CB 1.641 33.415 31.823 -0.083 0.000 1.018 75 V HN 0.574 nan 8.190 nan 0.000 0.426 76 L N 2.901 124.138 121.223 0.023 0.000 2.307 76 L HA 0.540 4.880 4.340 0.000 0.000 0.284 76 L C -0.398 176.567 176.870 0.159 0.000 1.023 76 L CA -0.527 54.357 54.840 0.073 0.000 0.810 76 L CB 1.831 43.912 42.059 0.037 0.000 1.231 76 L HN 0.674 nan 8.230 nan 0.000 0.423 77 D N 1.431 121.976 120.400 0.241 0.000 2.338 77 D HA -0.004 4.636 4.640 0.000 0.000 0.255 77 D C 1.103 177.458 176.300 0.092 0.000 1.237 77 D CA -0.129 53.991 54.000 0.200 0.000 0.883 77 D CB 1.249 42.180 40.800 0.219 0.000 1.087 77 D HN 0.504 nan 8.370 nan 0.000 0.485 78 S N 2.663 118.400 115.700 0.061 0.000 2.660 78 S HA 0.123 4.593 4.470 0.000 0.000 0.228 78 S C 1.756 176.364 174.600 0.013 0.000 0.966 78 S CA 0.410 58.626 58.200 0.027 0.000 0.940 78 S CB -0.481 62.730 63.200 0.019 0.000 0.773 78 S HN 0.846 nan 8.310 nan 0.000 0.535 79 G N 0.475 109.286 108.800 0.018 0.000 2.435 79 G HA2 -0.157 3.803 3.960 0.000 0.000 0.245 79 G HA3 -0.157 3.803 3.960 0.000 0.000 0.245 79 G C 0.296 175.199 174.900 0.004 0.000 1.073 79 G CA 0.091 45.195 45.100 0.007 0.000 0.638 79 G HN 1.605 nan 8.290 nan 0.000 0.521 80 A N 0.097 122.923 122.820 0.010 0.000 2.525 80 A HA 0.957 5.277 4.320 0.000 0.000 0.291 80 A C -2.554 175.051 177.584 0.036 0.000 1.268 80 A CA -0.218 51.831 52.037 0.019 0.000 0.712 80 A CB 1.087 20.099 19.000 0.021 0.000 1.320 80 A HN 0.291 nan 8.150 nan 0.000 0.456 81 P HA 0.305 nan 4.420 nan 0.000 0.302 81 P C -0.376 176.969 177.300 0.074 0.000 1.301 81 P CA -0.304 62.854 63.100 0.097 0.000 0.745 81 P CB 0.317 32.124 31.700 0.178 0.000 1.331 82 I N 0.510 121.126 120.570 0.076 0.000 2.671 82 I HA 0.010 4.180 4.170 0.000 0.000 0.285 82 I C 1.337 177.474 176.117 0.032 0.000 1.148 82 I CA 0.604 61.928 61.300 0.041 0.000 1.386 82 I CB -0.304 37.707 38.000 0.019 0.000 1.406 82 I HN 0.112 nan 8.210 nan 0.000 0.540 83 R N 7.386 127.923 120.500 0.062 0.000 2.407 83 R HA 0.706 5.046 4.340 0.000 0.000 0.303 83 R C -0.451 175.967 176.300 0.197 0.000 0.981 83 R CA -0.658 55.514 56.100 0.120 0.000 0.905 83 R CB 1.803 32.184 30.300 0.135 0.000 1.099 83 R HN 0.603 nan 8.270 nan 0.000 0.459 84 I N -1.079 119.590 120.570 0.165 0.000 3.042 84 I HA 0.637 4.807 4.170 0.000 0.000 0.310 84 I C -2.687 173.294 176.117 -0.227 0.000 1.117 84 I CA -3.481 57.861 61.300 0.069 0.000 1.003 84 I CB 2.565 40.539 38.000 -0.042 0.000 1.228 84 I HN 0.295 nan 8.210 nan 0.000 0.443 85 P HA 0.205 nan 4.420 nan 0.000 0.271 85 P C -0.728 176.225 177.300 -0.580 0.000 1.226 85 P CA -0.123 62.439 63.100 -0.898 0.000 0.765 85 P CB 1.001 32.335 31.700 -0.610 0.000 0.835 86 V N 0.784 120.303 119.914 -0.658 0.000 3.001 86 V HA 1.031 5.151 4.120 0.000 0.000 0.314 86 V C 0.077 175.561 176.094 -1.018 0.000 1.099 86 V CA -0.468 61.406 62.300 -0.709 0.000 0.989 86 V CB 1.399 32.864 31.823 -0.595 0.000 1.040 86 V HN 0.898 nan 8.190 nan 0.000 0.434 87 G N 2.360 110.338 108.800 -1.369 0.000 2.440 87 G HA2 0.096 4.056 3.960 0.000 0.000 0.684 87 G HA3 0.096 4.056 3.960 0.000 0.000 0.684 87 G C -2.368 172.386 174.900 -0.244 0.000 1.309 87 G CA -0.098 44.307 45.100 -1.158 0.000 0.931 87 G HN 0.657 nan 8.290 nan 0.000 0.612 88 P HA -0.168 nan 4.420 nan 0.000 0.217 88 P C 1.664 178.954 177.300 -0.017 0.000 1.158 88 P CA 2.104 65.297 63.100 0.156 0.000 0.887 88 P CB 0.057 31.841 31.700 0.140 0.000 0.792 89 E N -0.560 119.604 120.200 -0.061 0.000 2.533 89 E HA -0.116 4.234 4.350 0.000 0.000 0.203 89 E C 1.094 177.637 176.600 -0.096 0.000 1.101 89 E CA 1.468 57.819 56.400 -0.081 0.000 0.894 89 E CB -1.438 28.213 29.700 -0.083 0.000 0.843 89 E HN 0.405 nan 8.360 nan 0.000 0.552 90 T N -1.572 112.929 114.554 -0.089 0.000 3.044 90 T HA 0.142 4.492 4.350 0.000 0.000 0.255 90 T C 1.147 175.808 174.700 -0.065 0.000 1.073 90 T CA -0.357 61.690 62.100 -0.088 0.000 1.125 90 T CB -0.242 68.568 68.868 -0.097 0.000 0.908 90 T HN 0.019 nan 8.240 nan 0.000 0.480 91 L N 2.128 123.304 121.223 -0.077 0.000 2.525 91 L HA 0.393 4.733 4.340 0.000 0.000 0.278 91 L C 1.821 178.630 176.870 -0.102 0.000 1.218 91 L CA 1.226 55.982 54.840 -0.140 0.000 0.878 91 L CB -0.066 41.792 42.059 -0.334 0.000 1.127 91 L HN 0.564 nan 8.230 nan 0.000 0.492 92 G N 1.331 110.088 108.800 -0.071 0.000 2.267 92 G HA2 -0.240 3.720 3.960 0.000 0.000 0.257 92 G HA3 -0.240 3.720 3.960 0.000 0.000 0.257 92 G C 0.486 175.387 174.900 0.001 0.000 0.998 92 G CA -0.265 44.823 45.100 -0.020 0.000 0.620 92 G HN 0.450 nan 8.290 nan 0.000 0.529 93 R N 0.171 120.638 120.500 -0.055 0.000 2.500 93 R HA 0.673 5.013 4.340 0.000 0.000 0.277 93 R C 0.314 176.513 176.300 -0.167 0.000 1.026 93 R CA -0.855 55.192 56.100 -0.087 0.000 1.058 93 R CB 0.638 30.888 30.300 -0.084 0.000 1.078 93 R HN 0.336 nan 8.270 nan 0.000 0.509 94 I N 2.686 123.110 120.570 -0.244 0.000 2.328 94 I HA 0.311 4.481 4.170 0.000 0.000 0.287 94 I C 0.423 176.408 176.117 -0.219 0.000 1.012 94 I CA -0.255 60.840 61.300 -0.342 0.000 1.195 94 I CB 1.192 38.898 38.000 -0.491 0.000 1.350 94 I HN 0.256 nan 8.210 nan 0.000 0.464 95 M N 5.632 125.116 119.600 -0.193 0.000 2.423 95 M HA 0.332 4.812 4.480 0.000 0.000 0.335 95 M C -0.049 176.208 176.300 -0.072 0.000 1.177 95 M CA -0.360 54.871 55.300 -0.115 0.000 1.038 95 M CB 1.561 34.098 32.600 -0.104 0.000 1.641 95 M HN 0.569 nan 8.290 nan 0.000 0.455 96 N N 1.227 119.907 118.700 -0.034 0.000 2.322 96 N HA 0.185 4.925 4.740 0.000 0.000 0.270 96 N C 0.530 176.042 175.510 0.003 0.000 1.286 96 N CA -0.349 52.703 53.050 0.003 0.000 0.948 96 N CB 0.702 39.194 38.487 0.008 0.000 1.164 96 N HN 0.475 nan 8.380 nan 0.000 0.551 97 V N 0.402 120.327 119.914 0.018 0.000 2.295 97 V HA -0.170 3.951 4.120 0.000 0.000 0.246 97 V C 1.837 177.932 176.094 0.003 0.000 1.049 97 V CA 2.104 64.412 62.300 0.013 0.000 1.024 97 V CB -1.152 30.685 31.823 0.024 0.000 0.648 97 V HN 0.778 nan 8.190 nan 0.000 0.447 98 I N -1.395 119.183 120.570 0.013 0.000 3.735 98 I HA 0.540 4.710 4.170 0.000 0.000 0.310 98 I C 1.372 177.506 176.117 0.028 0.000 1.270 98 I CA 0.865 62.176 61.300 0.020 0.000 1.207 98 I CB -0.101 37.916 38.000 0.029 0.000 1.013 98 I HN 0.390 nan 8.210 nan 0.000 0.452 99 G N 0.939 109.745 108.800 0.010 0.000 2.195 99 G HA2 -0.218 3.742 3.960 0.000 0.000 0.224 99 G HA3 -0.218 3.742 3.960 0.000 0.000 0.224 99 G C -0.080 174.824 174.900 0.006 0.000 0.990 99 G CA -0.214 44.889 45.100 0.006 0.000 0.639 99 G HN 0.585 nan 8.290 nan 0.000 0.514 100 E N 2.474 122.681 120.200 0.012 0.000 2.373 100 E HA 0.349 4.699 4.350 0.000 0.000 0.267 100 E C -2.184 174.406 176.600 -0.016 0.000 1.032 100 E CA -1.427 54.978 56.400 0.008 0.000 0.889 100 E CB 1.241 30.950 29.700 0.015 0.000 0.984 100 E HN 0.252 nan 8.360 nan 0.000 0.425 101 P HA 0.046 nan 4.420 nan 0.000 0.276 101 P C 0.099 177.379 177.300 -0.033 0.000 1.230 101 P CA 0.254 63.329 63.100 -0.042 0.000 0.776 101 P CB 0.510 32.189 31.700 -0.035 0.000 0.888 102 I N -0.579 119.959 120.570 -0.054 0.000 4.050 102 I HA 0.223 4.394 4.170 0.000 0.000 0.327 102 I C 0.438 176.519 176.117 -0.060 0.000 1.473 102 I CA -0.235 61.044 61.300 -0.036 0.000 1.124 102 I CB 0.073 38.066 38.000 -0.012 0.000 1.129 102 I HN 0.056 nan 8.210 nan 0.000 0.428 103 D N 1.056 121.402 120.400 -0.090 0.000 2.340 103 D HA -0.027 4.613 4.640 0.000 0.000 0.217 103 D C 0.620 176.918 176.300 -0.004 0.000 1.081 103 D CA 0.000 53.939 54.000 -0.101 0.000 0.842 103 D CB -0.152 40.547 40.800 -0.168 0.000 0.934 103 D HN 0.526 nan 8.370 nan 0.000 0.511 104 E N -0.291 119.908 120.200 -0.001 0.000 3.313 104 E HA -0.290 4.060 4.350 0.000 0.000 0.283 104 E C 0.217 176.831 176.600 0.023 0.000 0.941 104 E CA 0.584 56.994 56.400 0.018 0.000 0.907 104 E CB -1.241 28.478 29.700 0.033 0.000 1.458 104 E HN 0.434 nan 8.360 nan 0.000 0.463 105 R N 0.955 121.468 120.500 0.021 0.000 3.907 105 R HA 0.216 4.556 4.340 0.000 0.000 0.241 105 R C 1.073 177.379 176.300 0.010 0.000 1.784 105 R CA 0.395 56.509 56.100 0.023 0.000 1.509 105 R CB -0.055 30.263 30.300 0.030 0.000 1.275 105 R HN 0.336 nan 8.270 nan 0.000 0.642 106 G N 1.850 110.655 108.800 0.009 0.000 2.682 106 G HA2 -0.290 3.670 3.960 0.000 0.000 0.256 106 G HA3 -0.290 3.670 3.960 0.000 0.000 0.256 106 G C -2.155 172.745 174.900 0.001 0.000 1.333 106 G CA -1.099 44.005 45.100 0.006 0.000 0.904 106 G HN 0.206 nan 8.290 nan 0.000 0.569 107 P HA 0.279 nan 4.420 nan 0.000 0.270 107 P C 0.341 177.635 177.300 -0.010 0.000 1.221 107 P CA 0.098 63.202 63.100 0.005 0.000 0.788 107 P CB 0.250 31.959 31.700 0.015 0.000 0.904 108 I N 1.042 121.602 120.570 -0.018 0.000 2.661 108 I HA 0.128 4.299 4.170 0.000 0.000 0.292 108 I C 0.262 176.341 176.117 -0.064 0.000 1.189 108 I CA -0.410 60.856 61.300 -0.056 0.000 1.123 108 I CB -0.194 37.751 38.000 -0.091 0.000 1.709 108 I HN 0.118 nan 8.210 nan 0.000 0.566 109 K N 3.484 123.863 120.400 -0.034 0.000 2.036 109 K HA -0.009 4.312 4.320 0.000 0.000 0.246 109 K C 0.480 177.047 176.600 -0.056 0.000 1.189 109 K CA 0.204 56.479 56.287 -0.021 0.000 1.255 109 K CB -0.705 31.790 32.500 -0.008 0.000 0.909 109 K HN 0.503 nan 8.250 nan 0.000 0.382 110 T N -1.505 112.995 114.554 -0.090 0.000 2.912 110 T HA 0.317 4.667 4.350 0.000 0.000 0.288 110 T C 0.643 175.310 174.700 -0.054 0.000 1.030 110 T CA -1.158 60.848 62.100 -0.156 0.000 1.020 110 T CB 1.966 70.609 68.868 -0.374 0.000 1.056 110 T HN 0.305 nan 8.240 nan 0.000 0.480 111 K N 0.160 120.535 120.400 -0.042 0.000 2.352 111 K HA 0.140 4.460 4.320 0.000 0.000 0.194 111 K C 0.216 176.864 176.600 0.079 0.000 1.038 111 K CA 0.243 56.558 56.287 0.046 0.000 1.023 111 K CB 0.224 32.746 32.500 0.037 0.000 0.840 111 K HN 0.510 nan 8.250 nan 0.000 0.519 112 Q N -0.229 119.542 119.800 -0.049 0.000 2.215 112 Q HA 0.521 4.861 4.340 0.000 0.000 0.256 112 Q C -1.007 174.882 176.000 -0.185 0.000 0.972 112 Q CA -0.283 55.497 55.803 -0.038 0.000 0.889 112 Q CB 1.216 29.892 28.738 -0.104 0.000 1.281 112 Q HN -0.066 nan 8.270 nan 0.000 0.456 113 F N -0.397 119.514 119.950 -0.064 0.000 2.631 113 F HA 0.807 5.334 4.527 0.000 0.000 0.308 113 F C -0.829 174.947 175.800 -0.041 0.000 1.097 113 F CA -0.712 57.249 58.000 -0.065 0.000 0.952 113 F CB 2.080 41.053 39.000 -0.044 0.000 1.307 113 F HN 0.614 nan 8.300 nan 0.000 0.450 114 A N 1.111 124.003 122.820 0.120 0.000 2.587 114 A HA 0.899 5.219 4.320 0.000 0.000 0.293 114 A C -1.655 175.963 177.584 0.055 0.000 1.087 114 A CA -0.556 51.521 52.037 0.067 0.000 0.692 114 A CB 1.208 20.217 19.000 0.014 0.000 1.291 114 A HN 1.134 nan 8.150 nan 0.000 0.407 115 A N 0.620 123.463 122.820 0.039 0.000 2.331 115 A HA 0.535 4.855 4.320 0.000 0.000 0.283 115 A C 1.012 178.577 177.584 -0.032 0.000 1.142 115 A CA 0.010 52.060 52.037 0.023 0.000 0.812 115 A CB -0.286 18.742 19.000 0.048 0.000 1.074 115 A HN 1.705 nan 8.150 nan 0.000 0.497 116 I N -0.893 119.612 120.570 -0.108 0.000 3.176 116 I HA 0.019 4.189 4.170 0.000 0.000 0.275 116 I C -0.113 175.802 176.117 -0.337 0.000 1.298 116 I CA 0.691 61.853 61.300 -0.231 0.000 1.445 116 I CB -0.298 37.510 38.000 -0.320 0.000 1.075 116 I HN 0.463 nan 8.210 nan 0.000 0.482 117 H N 2.832 121.906 119.070 0.005 0.000 2.691 117 H HA 0.714 5.270 4.556 0.000 0.000 0.281 117 H C -0.649 174.678 175.328 -0.000 0.000 1.121 117 H CA -0.514 55.535 56.048 0.002 0.000 1.254 117 H CB 1.190 30.953 29.762 0.003 0.000 1.390 117 H HN 0.376 nan 8.280 nan 0.000 0.491 118 A N 3.759 126.633 122.820 0.090 0.000 2.359 118 A HA 0.343 4.663 4.320 0.000 0.000 0.303 118 A C 0.171 177.780 177.584 0.041 0.000 1.066 118 A CA -0.907 51.161 52.037 0.052 0.000 0.730 118 A CB 1.410 20.423 19.000 0.023 0.000 1.211 118 A HN 0.459 nan 8.150 nan 0.000 0.439 119 E N 1.105 121.325 120.200 0.034 0.000 2.467 119 E HA 0.232 4.582 4.350 0.000 0.000 0.264 119 E C 0.744 177.354 176.600 0.017 0.000 1.020 119 E CA 0.532 56.946 56.400 0.025 0.000 0.945 119 E CB 0.599 30.311 29.700 0.020 0.000 0.942 119 E HN 0.762 nan 8.360 nan 0.000 0.449 120 A N 4.053 126.882 122.820 0.014 0.000 2.366 120 A HA 0.339 4.659 4.320 0.000 0.000 0.249 120 A C -1.981 175.611 177.584 0.013 0.000 1.084 120 A CA -1.096 50.945 52.037 0.007 0.000 0.794 120 A CB -0.467 18.537 19.000 0.006 0.000 1.034 120 A HN 0.335 nan 8.150 nan 0.000 0.491 121 P HA 0.050 nan 4.420 nan 0.000 0.266 121 P C -0.088 177.228 177.300 0.028 0.000 1.186 121 P CA 0.214 63.318 63.100 0.007 0.000 0.767 121 P CB 0.383 32.078 31.700 -0.008 0.000 0.820 122 E N 1.099 121.320 120.200 0.036 0.000 2.369 122 E HA 0.030 4.381 4.350 0.000 0.000 0.255 122 E C 0.854 177.517 176.600 0.106 0.000 1.172 122 E CA -0.320 56.125 56.400 0.076 0.000 0.932 122 E CB 0.103 29.844 29.700 0.069 0.000 1.040 122 E HN 0.386 nan 8.360 nan 0.000 0.454 123 F N 1.785 121.733 119.950 -0.003 0.000 2.120 123 F HA -0.263 4.264 4.527 0.000 0.000 0.300 123 F C 1.950 177.748 175.800 -0.004 0.000 1.095 123 F CA 2.012 60.011 58.000 -0.002 0.000 1.249 123 F CB -0.291 38.708 39.000 -0.001 0.000 0.995 123 F HN 0.291 nan 8.300 nan 0.000 0.480 124 V N -1.815 118.124 119.914 0.041 0.000 2.427 124 V HA -0.207 3.913 4.120 0.000 0.000 0.248 124 V C 1.701 177.731 176.094 -0.106 0.000 1.051 124 V CA 1.993 64.256 62.300 -0.062 0.000 1.048 124 V CB -1.225 30.615 31.823 0.029 0.000 0.666 124 V HN 0.402 nan 8.190 nan 0.000 0.456 125 E N 0.507 120.670 120.200 -0.062 0.000 2.515 125 E HA 0.037 4.387 4.350 0.000 0.000 0.201 125 E C 0.512 177.057 176.600 -0.092 0.000 1.071 125 E CA 0.128 56.492 56.400 -0.060 0.000 0.880 125 E CB -0.162 29.520 29.700 -0.030 0.000 0.828 125 E HN 0.512 nan 8.360 nan 0.000 0.540 126 M N 0.785 120.289 119.600 -0.160 0.000 2.235 126 M HA 0.104 4.584 4.480 0.000 0.000 0.351 126 M C 0.426 176.627 176.300 -0.166 0.000 1.178 126 M CA -0.090 55.102 55.300 -0.179 0.000 1.143 126 M CB 1.203 33.630 32.600 -0.288 0.000 1.530 126 M HN -0.184 nan 8.290 nan 0.000 0.461 127 S N 1.355 116.984 115.700 -0.119 0.000 2.562 127 S HA 0.424 4.894 4.470 0.000 0.000 0.275 127 S C 0.696 175.234 174.600 -0.102 0.000 1.281 127 S CA -0.766 57.377 58.200 -0.094 0.000 1.045 127 S CB 0.609 63.769 63.200 -0.067 0.000 0.962 127 S HN 0.593 nan 8.310 nan 0.000 0.503 128 V N 1.193 121.053 119.914 -0.091 0.000 3.528 128 V HA 0.533 4.653 4.120 0.000 0.000 0.294 128 V C 0.268 176.330 176.094 -0.052 0.000 1.404 128 V CA -0.188 62.064 62.300 -0.080 0.000 1.065 128 V CB -0.092 31.679 31.823 -0.085 0.000 0.904 128 V HN 0.660 nan 8.190 nan 0.000 0.435 129 E N 1.909 122.080 120.200 -0.047 0.000 2.216 129 E HA 0.407 4.757 4.350 0.000 0.000 0.279 129 E C -0.611 175.970 176.600 -0.032 0.000 0.997 129 E CA -0.207 56.172 56.400 -0.035 0.000 0.817 129 E CB 1.501 31.183 29.700 -0.031 0.000 1.096 129 E HN 0.454 nan 8.360 nan 0.000 0.393 130 Q N 2.550 122.334 119.800 -0.027 0.000 2.503 130 Q HA 0.203 4.543 4.340 0.000 0.000 0.227 130 Q C -0.492 175.497 176.000 -0.019 0.000 1.109 130 Q CA -0.039 55.750 55.803 -0.024 0.000 0.922 130 Q CB 0.763 29.486 28.738 -0.025 0.000 1.249 130 Q HN 0.386 nan 8.270 nan 0.000 0.530 131 E N 1.723 121.912 120.200 -0.018 0.000 2.222 131 E HA 0.440 4.790 4.350 0.000 0.000 0.272 131 E C -0.503 176.094 176.600 -0.005 0.000 0.982 131 E CA -0.659 55.735 56.400 -0.011 0.000 0.842 131 E CB 2.218 31.908 29.700 -0.017 0.000 1.144 131 E HN 0.447 nan 8.360 nan 0.000 0.397 132 I N 3.416 123.993 120.570 0.012 0.000 2.321 132 I HA 0.159 4.329 4.170 0.000 0.000 0.291 132 I C -0.988 175.136 176.117 0.013 0.000 0.998 132 I CA -0.917 60.402 61.300 0.031 0.000 1.227 132 I CB 0.553 38.593 38.000 0.067 0.000 1.368 132 I HN 0.382 nan 8.210 nan 0.000 0.466 133 L N 9.473 130.697 121.223 0.001 0.000 2.433 133 L HA 0.246 4.587 4.340 0.000 0.000 0.284 133 L C -0.487 176.366 176.870 -0.030 0.000 1.120 133 L CA 0.130 54.923 54.840 -0.078 0.000 0.879 133 L CB 0.561 42.578 42.059 -0.069 0.000 1.232 133 L HN 0.423 nan 8.230 nan 0.000 0.454 134 V N 5.305 125.229 119.914 0.015 0.000 2.493 134 V HA 0.023 4.143 4.120 0.000 0.000 0.292 134 V C 1.550 177.739 176.094 0.158 0.000 1.016 134 V CA 0.923 63.290 62.300 0.112 0.000 1.097 134 V CB 0.407 32.342 31.823 0.186 0.000 0.947 134 V HN 0.976 nan 8.190 nan 0.000 0.479 135 T N 0.439 114.994 114.554 0.003 0.000 3.037 135 T HA 0.265 4.615 4.350 0.000 0.000 0.252 135 T C 1.515 176.189 174.700 -0.045 0.000 1.073 135 T CA 0.649 62.716 62.100 -0.055 0.000 1.091 135 T CB 0.461 69.178 68.868 -0.252 0.000 0.935 135 T HN 1.407 nan 8.240 nan 0.000 0.488 136 G N 1.670 110.455 108.800 -0.026 0.000 2.176 136 G HA2 -0.204 3.756 3.960 0.000 0.000 0.253 136 G HA3 -0.204 3.756 3.960 0.000 0.000 0.253 136 G C 0.042 174.934 174.900 -0.013 0.000 0.979 136 G CA 0.079 45.166 45.100 -0.022 0.000 0.641 136 G HN 0.644 nan 8.290 nan 0.000 0.530 137 I N 1.465 122.017 120.570 -0.030 0.000 2.307 137 I HA 0.215 4.385 4.170 0.000 0.000 0.289 137 I C 1.671 177.794 176.117 0.009 0.000 1.021 137 I CA -0.774 60.544 61.300 0.029 0.000 1.224 137 I CB 1.133 39.152 38.000 0.031 0.000 1.376 137 I HN 0.034 nan 8.210 nan 0.000 0.470 138 K N 3.879 124.292 120.400 0.021 0.000 2.013 138 K HA -0.264 4.056 4.320 0.000 0.000 0.225 138 K C 1.899 178.462 176.600 -0.062 0.000 1.056 138 K CA 2.382 58.663 56.287 -0.011 0.000 0.971 138 K CB -0.557 31.942 32.500 -0.002 0.000 0.731 138 K HN 0.673 nan 8.250 nan 0.000 0.450 139 V N -0.217 119.670 119.914 -0.044 0.000 2.250 139 V HA -0.277 3.843 4.120 0.000 0.000 0.250 139 V C 2.312 178.387 176.094 -0.032 0.000 1.060 139 V CA 2.097 64.357 62.300 -0.067 0.000 1.030 139 V CB -1.225 30.600 31.823 0.002 0.000 0.643 139 V HN 0.135 nan 8.190 nan 0.000 0.445 140 V N 1.842 121.753 119.914 -0.005 0.000 2.214 140 V HA -0.347 3.774 4.120 0.000 0.000 0.247 140 V C 2.449 178.540 176.094 -0.006 0.000 1.051 140 V CA 2.826 65.117 62.300 -0.015 0.000 1.003 140 V CB -1.187 30.526 31.823 -0.183 0.000 0.635 140 V HN 0.577 nan 8.190 nan 0.000 0.447 141 D N -0.319 120.056 120.400 -0.041 0.000 2.265 141 D HA -0.170 4.470 4.640 0.000 0.000 0.208 141 D C 1.761 178.085 176.300 0.040 0.000 0.977 141 D CA 1.138 55.144 54.000 0.009 0.000 0.871 141 D CB -0.063 40.726 40.800 -0.018 0.000 0.925 141 D HN 0.398 nan 8.370 nan 0.000 0.485 142 L N -0.853 120.348 121.223 -0.037 0.000 2.316 142 L HA 0.210 4.550 4.340 0.000 0.000 0.207 142 L C 1.309 178.182 176.870 0.006 0.000 1.070 142 L CA 0.843 55.634 54.840 -0.082 0.000 0.820 142 L CB 0.360 42.238 42.059 -0.303 0.000 0.992 142 L HN 0.001 nan 8.230 nan 0.000 0.466 143 L N -0.669 120.540 121.223 -0.022 0.000 2.672 143 L HA 0.451 4.791 4.340 0.000 0.000 0.236 143 L C 0.497 177.399 176.870 0.054 0.000 1.092 143 L CA 0.425 55.262 54.840 -0.005 0.000 0.887 143 L CB 0.320 42.344 42.059 -0.057 0.000 1.168 143 L HN 0.200 nan 8.230 nan 0.000 0.502 144 A N 0.155 123.033 122.820 0.097 0.000 3.464 144 A HA 0.467 4.787 4.320 0.000 0.000 0.243 144 A C -2.658 175.057 177.584 0.218 0.000 1.100 144 A CA -0.753 51.368 52.037 0.140 0.000 0.957 144 A CB -0.172 18.919 19.000 0.153 0.000 1.340 144 A HN -0.145 nan 8.150 nan 0.000 0.645 145 P HA 0.016 nan 4.420 nan 0.000 0.263 145 P C -0.762 176.724 177.300 0.312 0.000 1.175 145 P CA 0.745 63.970 63.100 0.210 0.000 0.761 145 P CB 0.116 31.904 31.700 0.147 0.000 0.794 146 Y N 1.817 122.129 120.300 0.021 0.000 2.539 146 Y HA 0.337 4.887 4.550 0.000 0.000 0.352 146 Y C 1.062 176.947 175.900 -0.025 0.000 1.004 146 Y CA -1.388 56.708 58.100 -0.007 0.000 1.278 146 Y CB -0.610 37.838 38.460 -0.019 0.000 1.136 146 Y HN 0.342 nan 8.280 nan 0.000 0.528 147 A N 4.972 127.836 122.820 0.074 0.000 2.537 147 A HA 0.025 4.345 4.320 0.000 0.000 0.260 147 A C 0.730 178.313 177.584 -0.001 0.000 1.082 147 A CA -0.446 51.603 52.037 0.020 0.000 0.765 147 A CB -0.275 18.719 19.000 -0.011 0.000 1.019 147 A HN 0.731 nan 8.150 nan 0.000 0.507 148 K N 2.706 123.100 120.400 -0.010 0.000 2.402 148 K HA 0.249 4.569 4.320 0.000 0.000 0.279 148 K C 1.113 177.687 176.600 -0.043 0.000 1.082 148 K CA 1.094 57.358 56.287 -0.038 0.000 1.080 148 K CB -0.397 32.070 32.500 -0.056 0.000 0.899 148 K HN 1.617 nan 8.250 nan 0.000 0.469 149 G N 2.568 111.337 108.800 -0.052 0.000 2.132 149 G HA2 -0.197 3.763 3.960 0.000 0.000 0.234 149 G HA3 -0.197 3.763 3.960 0.000 0.000 0.234 149 G C 0.167 175.032 174.900 -0.058 0.000 0.989 149 G CA -0.240 44.828 45.100 -0.054 0.000 0.676 149 G HN 0.928 nan 8.290 nan 0.000 0.522 150 G N -0.780 107.979 108.800 -0.068 0.000 2.489 150 G HA2 0.699 4.659 3.960 0.000 0.000 0.327 150 G HA3 0.699 4.659 3.960 0.000 0.000 0.327 150 G C -0.573 174.251 174.900 -0.126 0.000 1.189 150 G CA -0.809 44.245 45.100 -0.078 0.000 0.962 150 G HN 0.273 nan 8.290 nan 0.000 0.486 151 K N -0.504 119.820 120.400 -0.126 0.000 2.138 151 K HA 0.643 4.963 4.320 0.000 0.000 0.263 151 K C -0.830 175.636 176.600 -0.223 0.000 0.965 151 K CA -0.330 55.853 56.287 -0.172 0.000 0.868 151 K CB 1.820 34.244 32.500 -0.127 0.000 1.083 151 K HN 0.234 nan 8.250 nan 0.000 0.443 152 I N 1.052 121.438 120.570 -0.307 0.000 2.447 152 I HA 0.308 4.478 4.170 0.000 0.000 0.287 152 I C 0.310 176.261 176.117 -0.277 0.000 1.023 152 I CA -0.592 60.490 61.300 -0.364 0.000 1.083 152 I CB 2.067 39.617 38.000 -0.750 0.000 1.245 152 I HN 0.612 nan 8.210 nan 0.000 0.434 153 G N 5.981 114.665 108.800 -0.193 0.000 2.372 153 G HA2 0.415 4.375 3.960 0.000 0.000 0.286 153 G HA3 0.415 4.375 3.960 0.000 0.000 0.286 153 G C -0.531 174.215 174.900 -0.257 0.000 1.153 153 G CA -0.334 44.598 45.100 -0.280 0.000 0.985 153 G HN 0.505 nan 8.290 nan 0.000 0.429 154 L N 4.334 125.370 121.223 -0.312 0.000 2.342 154 L HA 0.544 4.884 4.340 0.000 0.000 0.285 154 L C -1.008 175.702 176.870 -0.267 0.000 1.095 154 L CA -1.049 53.716 54.840 -0.125 0.000 0.843 154 L CB -0.538 41.523 42.059 0.004 0.000 1.201 154 L HN 0.304 nan 8.230 nan 0.000 0.445 155 F N 4.065 124.065 119.950 0.082 0.000 2.415 155 F HA 0.759 5.286 4.527 0.000 0.000 0.348 155 F C 0.974 176.834 175.800 0.099 0.000 1.119 155 F CA -0.112 57.943 58.000 0.091 0.000 1.069 155 F CB 1.766 40.818 39.000 0.087 0.000 1.124 155 F HN 0.661 nan 8.300 nan 0.000 0.472 156 G N 1.557 110.495 108.800 0.231 0.000 2.220 156 G HA2 0.382 4.342 3.960 0.000 0.000 0.232 156 G HA3 0.382 4.342 3.960 0.000 0.000 0.232 156 G C -0.021 174.961 174.900 0.137 0.000 1.680 156 G CA -0.515 44.691 45.100 0.177 0.000 0.922 156 G HN 0.994 nan 8.290 nan 0.000 0.723 157 G N 0.668 109.542 108.800 0.124 0.000 2.609 157 G HA2 0.645 4.605 3.960 0.000 0.000 0.167 157 G HA3 0.645 4.605 3.960 0.000 0.000 0.167 157 G C 0.813 175.762 174.900 0.083 0.000 1.668 157 G CA 1.346 46.506 45.100 0.099 0.000 0.886 157 G HN 2.067 nan 8.290 nan 0.000 0.378 158 A N -3.111 119.750 122.820 0.068 0.000 2.469 158 A HA 0.674 4.994 4.320 0.000 0.000 0.299 158 A C 0.686 178.304 177.584 0.056 0.000 1.098 158 A CA 0.448 52.519 52.037 0.058 0.000 0.737 158 A CB 1.092 20.116 19.000 0.041 0.000 1.312 158 A HN 2.387 nan 8.150 nan 0.000 0.414 159 G N -0.590 108.241 108.800 0.051 0.000 2.182 159 G HA2 0.001 3.961 3.960 0.000 0.000 0.248 159 G HA3 0.001 3.961 3.960 0.000 0.000 0.248 159 G C 0.425 175.371 174.900 0.077 0.000 1.042 159 G CA 0.840 45.970 45.100 0.050 0.000 0.775 159 G HN 2.160 nan 8.290 nan 0.000 0.501 160 V N -4.219 115.752 119.914 0.094 0.000 3.330 160 V HA 0.709 4.829 4.120 0.000 0.000 0.309 160 V C 1.568 177.754 176.094 0.153 0.000 1.481 160 V CA 0.884 63.259 62.300 0.124 0.000 1.068 160 V CB 0.197 32.087 31.823 0.112 0.000 0.935 160 V HN 2.142 nan 8.190 nan 0.000 0.453 161 G N 1.316 110.190 108.800 0.124 0.000 2.138 161 G HA2 -0.275 3.685 3.960 0.000 0.000 0.193 161 G HA3 -0.275 3.685 3.960 0.000 0.000 0.193 161 G C 0.753 175.739 174.900 0.143 0.000 0.998 161 G CA 0.546 45.724 45.100 0.129 0.000 0.668 161 G HN 0.567 nan 8.290 nan 0.000 0.516 162 K N 0.391 120.863 120.400 0.121 0.000 1.978 162 K HA -0.143 4.177 4.320 0.000 0.000 0.214 162 K C 2.849 179.506 176.600 0.095 0.000 1.049 162 K CA 2.527 58.890 56.287 0.127 0.000 0.939 162 K CB -0.485 32.083 32.500 0.113 0.000 0.721 162 K HN 0.507 nan 8.250 nan 0.000 0.441 163 T N -1.156 113.424 114.554 0.043 0.000 2.897 163 T HA -0.094 4.256 4.350 0.000 0.000 0.271 163 T C 1.908 176.602 174.700 -0.010 0.000 1.084 163 T CA 1.341 63.430 62.100 -0.019 0.000 1.123 163 T CB -0.324 68.518 68.868 -0.044 0.000 0.865 163 T HN 0.041 nan 8.240 nan 0.000 0.496 164 V N 0.854 120.803 119.914 0.058 0.000 2.446 164 V HA 0.089 4.209 4.120 0.000 0.000 0.244 164 V C 2.396 178.603 176.094 0.189 0.000 1.039 164 V CA 0.966 63.340 62.300 0.124 0.000 1.045 164 V CB -0.517 31.408 31.823 0.171 0.000 0.681 164 V HN 0.375 nan 8.190 nan 0.000 0.459 165 L N -0.123 121.252 121.223 0.253 0.000 2.141 165 L HA -0.055 4.286 4.340 0.000 0.000 0.209 165 L C 2.074 179.000 176.870 0.093 0.000 1.094 165 L CA 1.739 56.725 54.840 0.243 0.000 0.763 165 L CB -0.426 41.825 42.059 0.320 0.000 0.908 165 L HN 0.199 nan 8.230 nan 0.000 0.437 166 I N -1.147 119.458 120.570 0.058 0.000 2.163 166 I HA -0.328 3.842 4.170 0.000 0.000 0.240 166 I C 2.375 178.336 176.117 -0.260 0.000 1.081 166 I CA 1.737 62.980 61.300 -0.095 0.000 1.353 166 I CB -0.198 37.653 38.000 -0.248 0.000 1.054 166 I HN 0.290 nan 8.210 nan 0.000 0.407 167 M N -0.201 119.277 119.600 -0.204 0.000 2.099 167 M HA -0.203 4.278 4.480 0.000 0.000 0.262 167 M C 2.246 178.464 176.300 -0.137 0.000 1.067 167 M CA 1.593 56.785 55.300 -0.181 0.000 1.124 167 M CB -0.588 31.937 32.600 -0.126 0.000 1.353 167 M HN 0.084 nan 8.290 nan 0.000 0.410 168 E N 1.503 121.596 120.200 -0.178 0.000 2.065 168 E HA -0.203 4.147 4.350 0.000 0.000 0.201 168 E C 1.823 178.287 176.600 -0.226 0.000 1.016 168 E CA 1.727 57.937 56.400 -0.317 0.000 0.818 168 E CB -0.543 28.641 29.700 -0.859 0.000 0.749 168 E HN 0.445 nan 8.360 nan 0.000 0.453 169 L N 0.144 121.280 121.223 -0.144 0.000 2.043 169 L HA -0.239 4.101 4.340 0.000 0.000 0.212 169 L C 2.585 179.508 176.870 0.088 0.000 1.075 169 L CA 1.469 56.321 54.840 0.019 0.000 0.752 169 L CB -0.497 41.713 42.059 0.251 0.000 0.891 169 L HN 0.309 nan 8.230 nan 0.000 0.432 170 I N -0.367 120.243 120.570 0.068 0.000 2.163 170 I HA -0.337 3.833 4.170 0.000 0.000 0.243 170 I C 2.288 178.422 176.117 0.029 0.000 1.085 170 I CA 1.683 63.027 61.300 0.073 0.000 1.347 170 I CB -0.476 37.508 38.000 -0.026 0.000 1.044 170 I HN 0.376 nan 8.210 nan 0.000 0.408 171 N N 1.405 120.088 118.700 -0.027 0.000 2.028 171 N HA -0.199 4.541 4.740 0.000 0.000 0.194 171 N C 1.544 177.030 175.510 -0.040 0.000 1.050 171 N CA 2.028 55.056 53.050 -0.037 0.000 0.848 171 N CB -0.170 38.279 38.487 -0.064 0.000 1.038 171 N HN 0.164 nan 8.380 nan 0.000 0.423 172 N N -0.048 118.614 118.700 -0.064 0.000 2.021 172 N HA -0.167 4.573 4.740 0.000 0.000 0.198 172 N C 1.764 177.255 175.510 -0.033 0.000 1.041 172 N CA 1.686 54.697 53.050 -0.066 0.000 0.862 172 N CB -0.927 37.511 38.487 -0.080 0.000 1.048 172 N HN 0.084 nan 8.380 nan 0.000 0.427 173 V N 0.880 120.835 119.914 0.068 0.000 2.453 173 V HA -0.262 3.858 4.120 0.000 0.000 0.252 173 V C 2.233 178.378 176.094 0.085 0.000 1.068 173 V CA 1.909 64.335 62.300 0.210 0.000 1.070 173 V CB -1.124 30.813 31.823 0.190 0.000 0.664 173 V HN 0.424 nan 8.190 nan 0.000 0.461 174 A N -0.435 122.395 122.820 0.017 0.000 1.872 174 A HA -0.170 4.150 4.320 0.000 0.000 0.214 174 A C 2.244 179.785 177.584 -0.073 0.000 1.187 174 A CA 1.844 53.863 52.037 -0.030 0.000 0.614 174 A CB -0.446 18.553 19.000 -0.002 0.000 0.826 174 A HN 0.425 nan 8.150 nan 0.000 0.442 175 K N -0.075 120.277 120.400 -0.081 0.000 2.057 175 K HA 0.065 4.386 4.320 0.000 0.000 0.207 175 K C 1.690 178.189 176.600 -0.168 0.000 1.049 175 K CA 1.524 57.750 56.287 -0.102 0.000 0.931 175 K CB -0.338 32.109 32.500 -0.088 0.000 0.714 175 K HN 0.406 nan 8.250 nan 0.000 0.440 176 A N -0.800 121.845 122.820 -0.292 0.000 2.387 176 A HA 0.099 4.419 4.320 0.000 0.000 0.234 176 A C 0.335 177.430 177.584 -0.813 0.000 1.253 176 A CA 0.170 51.890 52.037 -0.527 0.000 0.894 176 A CB -0.074 18.550 19.000 -0.627 0.000 0.963 176 A HN 0.297 nan 8.150 nan 0.000 0.508 177 H N -2.559 116.479 119.070 -0.053 0.000 3.726 177 H HA 0.180 4.736 4.556 0.000 0.000 0.262 177 H C 1.591 176.861 175.328 -0.097 0.000 1.181 177 H CA 0.288 56.300 56.048 -0.060 0.000 1.143 177 H CB 0.104 29.838 29.762 -0.046 0.000 1.627 177 H HN 0.554 nan 8.280 nan 0.000 0.750 178 G N 1.185 109.950 108.800 -0.058 0.000 2.270 178 G HA2 -0.301 3.659 3.960 0.000 0.000 0.268 178 G HA3 -0.301 3.659 3.960 0.000 0.000 0.268 178 G C 0.925 175.650 174.900 -0.291 0.000 0.982 178 G CA 0.596 45.602 45.100 -0.156 0.000 0.628 178 G HN 0.705 nan 8.290 nan 0.000 0.544 179 G N -0.750 107.943 108.800 -0.179 0.000 2.467 179 G HA2 0.552 4.512 3.960 0.000 0.000 0.257 179 G HA3 0.552 4.512 3.960 0.000 0.000 0.257 179 G C 0.176 174.921 174.900 -0.258 0.000 1.227 179 G CA -0.311 44.644 45.100 -0.242 0.000 0.835 179 G HN 0.332 nan 8.290 nan 0.000 0.556 180 Y N 0.262 120.464 120.300 -0.163 0.000 2.455 180 Y HA 0.523 5.073 4.550 0.000 0.000 0.398 180 Y C 1.189 177.048 175.900 -0.069 0.000 1.386 180 Y CA -0.232 57.740 58.100 -0.213 0.000 1.816 180 Y CB 1.061 39.185 38.460 -0.559 0.000 1.740 180 Y HN 0.484 nan 8.280 nan 0.000 0.612 181 S N -0.716 115.090 115.700 0.177 0.000 2.547 181 S HA 0.595 5.065 4.470 0.000 0.000 0.270 181 S C -1.709 173.021 174.600 0.217 0.000 1.150 181 S CA -0.839 57.498 58.200 0.228 0.000 0.850 181 S CB 2.042 65.414 63.200 0.286 0.000 1.118 181 S HN 0.262 nan 8.310 nan 0.000 0.461 182 V N 2.111 122.194 119.914 0.282 0.000 2.789 182 V HA 0.636 4.756 4.120 0.000 0.000 0.311 182 V C -1.567 174.720 176.094 0.321 0.000 1.073 182 V CA -0.683 61.760 62.300 0.238 0.000 0.921 182 V CB 1.862 33.798 31.823 0.188 0.000 1.009 182 V HN 0.845 nan 8.190 nan 0.000 0.426 183 F N 3.471 123.468 119.950 0.077 0.000 2.445 183 F HA 0.772 5.299 4.527 0.000 0.000 0.348 183 F C 0.251 176.084 175.800 0.055 0.000 1.125 183 F CA -0.691 57.366 58.000 0.095 0.000 0.983 183 F CB 1.179 40.188 39.000 0.015 0.000 1.198 183 F HN 0.560 nan 8.300 nan 0.000 0.436 184 A N 4.669 127.225 122.820 -0.441 0.000 2.366 184 A HA 0.557 4.877 4.320 0.000 0.000 0.322 184 A C 0.467 177.766 177.584 -0.474 0.000 1.397 184 A CA -0.176 51.671 52.037 -0.316 0.000 0.984 184 A CB -0.386 18.485 19.000 -0.215 0.000 1.149 184 A HN 1.028 nan 8.150 nan 0.000 0.540 185 G N 2.187 110.917 108.800 -0.117 0.000 2.621 185 G HA2 0.441 4.401 3.960 0.000 0.000 0.306 185 G HA3 0.441 4.401 3.960 0.000 0.000 0.306 185 G C -0.135 174.788 174.900 0.040 0.000 0.893 185 G CA -0.139 44.995 45.100 0.057 0.000 1.486 185 G HN 0.607 nan 8.290 nan 0.000 0.477 186 V N 2.551 122.446 119.914 -0.033 0.000 2.427 186 V HA 0.471 4.591 4.120 0.000 0.000 0.268 186 V C 1.449 177.567 176.094 0.039 0.000 1.046 186 V CA 0.707 63.019 62.300 0.020 0.000 0.970 186 V CB 0.565 32.407 31.823 0.032 0.000 1.001 186 V HN 1.190 nan 8.190 nan 0.000 0.476 187 G N 3.386 112.208 108.800 0.037 0.000 2.249 187 G HA2 -0.207 3.753 3.960 0.000 0.000 0.273 187 G HA3 -0.207 3.753 3.960 0.000 0.000 0.273 187 G C 0.137 175.041 174.900 0.006 0.000 1.036 187 G CA 0.036 45.151 45.100 0.026 0.000 0.824 187 G HN 0.668 nan 8.290 nan 0.000 0.504 188 E N -0.288 119.897 120.200 -0.024 0.000 2.408 188 E HA 0.215 4.565 4.350 0.000 0.000 0.259 188 E C 0.914 177.460 176.600 -0.089 0.000 1.110 188 E CA -0.067 56.289 56.400 -0.073 0.000 0.929 188 E CB 0.543 30.116 29.700 -0.212 0.000 0.971 188 E HN 0.467 nan 8.360 nan 0.000 0.438 189 R N 0.966 121.415 120.500 -0.085 0.000 2.265 189 R HA 0.157 4.497 4.340 0.000 0.000 0.319 189 R C 1.184 177.422 176.300 -0.103 0.000 1.006 189 R CA -0.241 55.819 56.100 -0.067 0.000 0.880 189 R CB 0.613 30.891 30.300 -0.037 0.000 1.077 189 R HN 0.467 nan 8.270 nan 0.000 0.454 190 T N 1.948 116.450 114.554 -0.085 0.000 2.751 190 T HA -0.264 4.086 4.350 0.000 0.000 0.268 190 T C 1.736 176.403 174.700 -0.055 0.000 1.045 190 T CA 1.689 63.739 62.100 -0.083 0.000 1.142 190 T CB -0.174 68.673 68.868 -0.034 0.000 0.851 190 T HN 0.539 nan 8.240 nan 0.000 0.474 191 R N 1.066 121.547 120.500 -0.032 0.000 2.062 191 R HA -0.096 4.244 4.340 0.000 0.000 0.231 191 R C 2.241 178.538 176.300 -0.004 0.000 1.136 191 R CA 1.769 57.866 56.100 -0.005 0.000 0.948 191 R CB -0.131 30.168 30.300 -0.001 0.000 0.845 191 R HN 0.485 nan 8.270 nan 0.000 0.430 192 E N -0.795 119.390 120.200 -0.025 0.000 2.274 192 E HA -0.066 4.284 4.350 0.000 0.000 0.194 192 E C 1.833 178.411 176.600 -0.037 0.000 0.996 192 E CA 0.780 57.170 56.400 -0.017 0.000 0.840 192 E CB -0.034 29.658 29.700 -0.013 0.000 0.772 192 E HN 0.610 nan 8.360 nan 0.000 0.491 193 G N 1.548 110.270 108.800 -0.130 0.000 2.408 193 G HA2 -0.316 3.644 3.960 0.000 0.000 0.217 193 G HA3 -0.316 3.644 3.960 0.000 0.000 0.217 193 G C 1.431 176.341 174.900 0.017 0.000 1.150 193 G CA 0.958 45.890 45.100 -0.281 0.000 0.776 193 G HN 0.202 nan 8.290 nan 0.000 0.542 194 N N 0.439 119.171 118.700 0.054 0.000 2.135 194 N HA -0.078 4.662 4.740 0.000 0.000 0.186 194 N C 1.713 177.352 175.510 0.214 0.000 1.027 194 N CA 1.419 54.572 53.050 0.171 0.000 0.849 194 N CB -0.057 38.527 38.487 0.160 0.000 1.002 194 N HN 0.069 nan 8.380 nan 0.000 0.425 195 D N 0.263 120.746 120.400 0.139 0.000 2.133 195 D HA -0.169 4.471 4.640 0.000 0.000 0.195 195 D C 1.871 178.232 176.300 0.103 0.000 0.997 195 D CA 0.691 54.765 54.000 0.122 0.000 0.840 195 D CB -0.483 40.351 40.800 0.057 0.000 0.947 195 D HN 0.258 nan 8.370 nan 0.000 0.452 196 L N -0.125 121.141 121.223 0.071 0.000 2.046 196 L HA -0.186 4.154 4.340 0.000 0.000 0.208 196 L C 2.182 179.092 176.870 0.067 0.000 1.077 196 L CA 1.444 56.295 54.840 0.019 0.000 0.747 196 L CB -0.723 41.311 42.059 -0.042 0.000 0.896 196 L HN 0.020 nan 8.230 nan 0.000 0.432 197 Y N 0.259 120.539 120.300 -0.035 0.000 2.053 197 Y HA -0.332 4.218 4.550 0.000 0.000 0.277 197 Y C 2.660 178.459 175.900 -0.169 0.000 1.159 197 Y CA 2.395 60.420 58.100 -0.125 0.000 1.125 197 Y CB -0.908 37.449 38.460 -0.171 0.000 0.969 197 Y HN 0.448 nan 8.280 nan 0.000 0.492 198 H N -0.835 118.192 119.070 -0.070 0.000 2.389 198 H HA -0.081 4.475 4.556 0.000 0.000 0.299 198 H C 2.224 177.502 175.328 -0.083 0.000 1.081 198 H CA 1.387 57.335 56.048 -0.166 0.000 1.345 198 H CB -0.106 29.606 29.762 -0.083 0.000 1.393 198 H HN 0.469 nan 8.280 nan 0.000 0.520 199 E N 0.515 120.761 120.200 0.076 0.000 2.204 199 E HA -0.190 4.160 4.350 0.000 0.000 0.195 199 E C 1.745 178.349 176.600 0.007 0.000 0.990 199 E CA 1.031 57.457 56.400 0.043 0.000 0.821 199 E CB 0.063 29.767 29.700 0.007 0.000 0.750 199 E HN 0.488 nan 8.360 nan 0.000 0.477 200 M N -0.152 119.426 119.600 -0.037 0.000 2.193 200 M HA -0.052 4.429 4.480 0.000 0.000 0.265 200 M C 2.215 178.477 176.300 -0.064 0.000 1.071 200 M CA 0.925 56.188 55.300 -0.061 0.000 1.140 200 M CB -0.089 32.465 32.600 -0.076 0.000 1.369 200 M HN 0.149 nan 8.290 nan 0.000 0.423 201 I N 0.314 120.815 120.570 -0.115 0.000 2.127 201 I HA -0.287 3.883 4.170 0.000 0.000 0.241 201 I C 1.951 178.040 176.117 -0.048 0.000 1.075 201 I CA 1.479 62.706 61.300 -0.122 0.000 1.334 201 I CB -0.509 37.369 38.000 -0.204 0.000 1.040 201 I HN 0.311 nan 8.210 nan 0.000 0.405 202 E N 0.485 120.682 120.200 -0.006 0.000 2.533 202 E HA -0.108 4.242 4.350 0.000 0.000 0.201 202 E C 1.678 178.306 176.600 0.046 0.000 1.097 202 E CA 0.955 57.370 56.400 0.025 0.000 0.887 202 E CB 0.009 29.757 29.700 0.080 0.000 0.855 202 E HN 0.573 nan 8.360 nan 0.000 0.540 203 S N -2.280 113.437 115.700 0.028 0.000 2.526 203 S HA 0.285 4.755 4.470 0.000 0.000 0.220 203 S C 1.515 176.118 174.600 0.005 0.000 1.017 203 S CA 0.278 58.500 58.200 0.037 0.000 0.930 203 S CB 1.120 64.337 63.200 0.030 0.000 0.856 203 S HN 0.287 nan 8.310 nan 0.000 0.497 204 G N 1.471 110.263 108.800 -0.015 0.000 2.308 204 G HA2 -0.375 3.585 3.960 0.000 0.000 0.221 204 G HA3 -0.375 3.585 3.960 0.000 0.000 0.221 204 G C 1.097 175.982 174.900 -0.026 0.000 1.032 204 G CA 0.476 45.564 45.100 -0.021 0.000 0.623 204 G HN 1.262 nan 8.290 nan 0.000 0.506 205 V N -0.671 119.224 119.914 -0.031 0.000 2.546 205 V HA 0.232 4.352 4.120 0.000 0.000 0.254 205 V C 1.416 177.489 176.094 -0.036 0.000 1.076 205 V CA 1.837 64.116 62.300 -0.034 0.000 1.087 205 V CB -0.468 31.323 31.823 -0.054 0.000 0.674 205 V HN 0.556 nan 8.190 nan 0.000 0.470 206 I N 1.108 121.652 120.570 -0.043 0.000 2.509 206 I HA 0.482 4.652 4.170 0.000 0.000 0.293 206 I C -0.687 175.400 176.117 -0.051 0.000 1.020 206 I CA -0.310 60.964 61.300 -0.042 0.000 1.088 206 I CB 1.889 39.866 38.000 -0.037 0.000 1.267 206 I HN 0.140 nan 8.210 nan 0.000 0.430 207 N N 6.631 125.307 118.700 -0.040 0.000 2.461 207 N HA 0.348 5.088 4.740 0.000 0.000 0.284 207 N C -0.107 175.385 175.510 -0.030 0.000 1.049 207 N CA -0.419 52.608 53.050 -0.038 0.000 0.889 207 N CB 2.036 40.506 38.487 -0.028 0.000 1.365 207 N HN 0.581 nan 8.380 nan 0.000 0.499 208 L N 2.651 123.853 121.223 -0.035 0.000 2.645 208 L HA 0.095 4.435 4.340 0.000 0.000 0.235 208 L C 1.375 178.238 176.870 -0.011 0.000 1.150 208 L CA 0.554 55.383 54.840 -0.018 0.000 0.911 208 L CB 0.031 42.075 42.059 -0.024 0.000 1.077 208 L HN 0.409 nan 8.230 nan 0.000 0.438 209 K N -0.366 120.025 120.400 -0.015 0.000 2.469 209 K HA 0.128 4.448 4.320 0.000 0.000 0.228 209 K C 0.022 176.616 176.600 -0.011 0.000 1.266 209 K CA -0.235 56.045 56.287 -0.011 0.000 0.775 209 K CB 0.355 32.847 32.500 -0.013 0.000 1.582 209 K HN 0.150 nan 8.250 nan 0.000 0.415 210 D N 1.506 121.898 120.400 -0.012 0.000 2.198 210 D HA 0.225 4.865 4.640 0.000 0.000 0.245 210 D C -0.482 175.811 176.300 -0.013 0.000 1.079 210 D CA -0.385 53.609 54.000 -0.010 0.000 0.854 210 D CB 1.707 42.502 40.800 -0.008 0.000 1.148 210 D HN 0.149 nan 8.370 nan 0.000 0.456 211 A N 2.753 125.565 122.820 -0.012 0.000 3.017 211 A HA 0.197 4.517 4.320 0.000 0.000 0.283 211 A C 1.077 178.654 177.584 -0.011 0.000 1.892 211 A CA 0.066 52.092 52.037 -0.019 0.000 1.469 211 A CB -1.000 17.990 19.000 -0.016 0.000 0.999 211 A HN 0.650 nan 8.150 nan 0.000 0.605 212 T N -2.331 112.214 114.554 -0.015 0.000 3.058 212 T HA 0.215 4.565 4.350 0.000 0.000 0.278 212 T C 0.475 175.171 174.700 -0.007 0.000 0.974 212 T CA 0.158 62.258 62.100 0.001 0.000 0.893 212 T CB -0.130 68.738 68.868 -0.000 0.000 1.138 212 T HN 0.326 nan 8.240 nan 0.000 0.529 213 S N 2.220 117.896 115.700 -0.040 0.000 2.537 213 S HA 0.202 4.672 4.470 0.000 0.000 0.286 213 S C 0.860 175.414 174.600 -0.075 0.000 1.299 213 S CA -0.317 57.848 58.200 -0.058 0.000 1.067 213 S CB 0.893 64.047 63.200 -0.078 0.000 0.864 213 S HN 0.450 nan 8.310 nan 0.000 0.494 214 K N 0.975 121.361 120.400 -0.024 0.000 2.355 214 K HA 0.198 4.518 4.320 0.000 0.000 0.198 214 K C -0.403 176.206 176.600 0.015 0.000 1.039 214 K CA 0.174 56.497 56.287 0.059 0.000 1.075 214 K CB 0.503 33.059 32.500 0.093 0.000 0.870 214 K HN 0.429 nan 8.250 nan 0.000 0.540 215 V N 0.241 120.130 119.914 -0.042 0.000 2.789 215 V HA 0.661 4.782 4.120 0.000 0.000 0.311 215 V C -0.824 175.249 176.094 -0.035 0.000 1.073 215 V CA -1.521 60.770 62.300 -0.015 0.000 0.921 215 V CB 1.698 33.520 31.823 -0.003 0.000 1.009 215 V HN 0.018 nan 8.190 nan 0.000 0.426 216 A N 4.401 127.227 122.820 0.011 0.000 2.288 216 A HA 0.850 5.170 4.320 0.000 0.000 0.320 216 A C -0.662 176.920 177.584 -0.004 0.000 1.217 216 A CA -0.539 51.498 52.037 -0.000 0.000 0.840 216 A CB 0.626 19.666 19.000 0.067 0.000 1.179 216 A HN 0.841 nan 8.150 nan 0.000 0.504 217 L N 2.830 123.992 121.223 -0.102 0.000 2.307 217 L HA 0.607 4.947 4.340 0.000 0.000 0.282 217 L C -0.791 175.909 176.870 -0.283 0.000 1.051 217 L CA -0.764 53.950 54.840 -0.210 0.000 0.804 217 L CB 1.604 43.399 42.059 -0.440 0.000 1.197 217 L HN 0.416 nan 8.230 nan 0.000 0.431 218 V N 3.442 123.203 119.914 -0.256 0.000 2.577 218 V HA 0.440 4.560 4.120 0.000 0.000 0.303 218 V C -0.936 175.120 176.094 -0.064 0.000 1.042 218 V CA -0.588 61.611 62.300 -0.168 0.000 0.872 218 V CB 1.895 33.672 31.823 -0.077 0.000 0.998 218 V HN 0.504 nan 8.190 nan 0.000 0.423 219 Y N 1.483 121.781 120.300 -0.004 0.000 2.485 219 Y HA 0.701 5.251 4.550 0.000 0.000 0.345 219 Y C 0.762 176.659 175.900 -0.005 0.000 0.998 219 Y CA -1.101 57.002 58.100 0.006 0.000 1.059 219 Y CB 2.796 41.263 38.460 0.012 0.000 1.234 219 Y HN 0.687 nan 8.280 nan 0.000 0.461 220 G N 2.561 111.465 108.800 0.174 0.000 4.566 220 G HA2 0.257 4.217 3.960 0.000 0.000 0.307 220 G HA3 0.257 4.217 3.960 0.000 0.000 0.307 220 G C -1.131 173.791 174.900 0.036 0.000 1.383 220 G CA -0.511 44.638 45.100 0.081 0.000 0.910 220 G HN 0.598 nan 8.290 nan 0.000 0.538 221 Q N 0.540 120.350 119.800 0.018 0.000 2.394 221 Q HA 0.059 4.400 4.340 0.000 0.000 0.303 221 Q C 1.623 177.620 176.000 -0.004 0.000 1.117 221 Q CA 0.450 56.241 55.803 -0.020 0.000 0.966 221 Q CB 0.992 29.719 28.738 -0.017 0.000 1.275 221 Q HN 0.470 nan 8.270 nan 0.000 0.429 222 M N 1.552 121.145 119.600 -0.012 0.000 2.213 222 M HA -0.186 4.294 4.480 0.000 0.000 0.263 222 M C 1.461 177.762 176.300 0.002 0.000 1.062 222 M CA 1.778 57.078 55.300 -0.002 0.000 1.105 222 M CB -0.516 32.082 32.600 -0.004 0.000 1.385 222 M HN 0.735 nan 8.290 nan 0.000 0.417 223 N N 0.043 118.743 118.700 0.000 0.000 2.520 223 N HA -0.076 4.664 4.740 0.000 0.000 0.185 223 N C -0.098 175.417 175.510 0.008 0.000 1.068 223 N CA 0.177 53.229 53.050 0.004 0.000 0.911 223 N CB -0.175 38.314 38.487 0.004 0.000 0.961 223 N HN 0.430 nan 8.380 nan 0.000 0.446 224 E N 2.216 122.423 120.200 0.011 0.000 2.313 224 E HA 0.177 4.528 4.350 0.000 0.000 0.276 224 E C -2.159 174.450 176.600 0.015 0.000 1.031 224 E CA -2.309 54.100 56.400 0.016 0.000 0.857 224 E CB 0.856 30.570 29.700 0.023 0.000 1.040 224 E HN 0.209 nan 8.360 nan 0.000 0.408 225 P HA -0.075 nan 4.420 nan 0.000 0.268 225 P C -2.063 175.244 177.300 0.013 0.000 1.208 225 P CA -0.947 62.161 63.100 0.013 0.000 0.777 225 P CB 0.283 31.992 31.700 0.014 0.000 0.875 226 P HA -0.214 nan 4.420 nan 0.000 0.217 226 P C 1.634 178.938 177.300 0.007 0.000 1.148 226 P CA 2.071 65.170 63.100 -0.001 0.000 0.828 226 P CB -0.656 31.036 31.700 -0.013 0.000 0.783 227 G N 0.546 109.355 108.800 0.015 0.000 2.433 227 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 227 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 227 G C 1.861 176.784 174.900 0.039 0.000 1.186 227 G CA 1.289 46.405 45.100 0.027 0.000 0.779 227 G HN 0.370 nan 8.290 nan 0.000 0.543 228 A N 1.199 124.040 122.820 0.034 0.000 1.851 228 A HA -0.081 4.239 4.320 0.000 0.000 0.216 228 A C 2.408 180.019 177.584 0.045 0.000 1.195 228 A CA 1.798 53.858 52.037 0.038 0.000 0.622 228 A CB -0.516 18.504 19.000 0.032 0.000 0.831 228 A HN 0.363 nan 8.150 nan 0.000 0.444 229 R N -0.389 120.135 120.500 0.041 0.000 2.249 229 R HA -0.081 4.259 4.340 0.000 0.000 0.230 229 R C 2.152 178.502 176.300 0.083 0.000 1.121 229 R CA 0.989 57.120 56.100 0.051 0.000 0.997 229 R CB -0.430 29.891 30.300 0.034 0.000 0.867 229 R HN 0.543 nan 8.270 nan 0.000 0.465 230 A N 0.854 123.720 122.820 0.077 0.000 1.935 230 A HA -0.010 4.310 4.320 0.000 0.000 0.214 230 A C 1.899 179.597 177.584 0.190 0.000 1.178 230 A CA 0.547 52.657 52.037 0.121 0.000 0.640 230 A CB 0.082 19.107 19.000 0.043 0.000 0.825 230 A HN 0.019 nan 8.150 nan 0.000 0.447 231 R N 0.152 120.720 120.500 0.114 0.000 2.161 231 R HA -0.015 4.325 4.340 0.000 0.000 0.213 231 R C 2.051 178.366 176.300 0.025 0.000 1.055 231 R CA 1.260 57.406 56.100 0.076 0.000 0.996 231 R CB -1.484 28.842 30.300 0.043 0.000 0.901 231 R HN 0.501 nan 8.270 nan 0.000 0.456 232 V N 0.335 120.269 119.914 0.033 0.000 2.277 232 V HA -0.283 3.837 4.120 0.000 0.000 0.253 232 V C 2.414 178.481 176.094 -0.045 0.000 1.067 232 V CA 2.060 64.361 62.300 0.002 0.000 1.047 232 V CB -1.555 30.284 31.823 0.026 0.000 0.649 232 V HN 0.235 nan 8.190 nan 0.000 0.447 233 A N 0.290 123.072 122.820 -0.062 0.000 2.032 233 A HA -0.125 4.195 4.320 0.000 0.000 0.221 233 A C 2.263 179.741 177.584 -0.176 0.000 1.165 233 A CA 2.332 54.258 52.037 -0.185 0.000 0.645 233 A CB -0.601 18.153 19.000 -0.409 0.000 0.807 233 A HN 0.604 nan 8.150 nan 0.000 0.453 234 L N -1.616 119.534 121.223 -0.121 0.000 2.127 234 L HA -0.076 4.264 4.340 0.000 0.000 0.203 234 L C 2.755 179.552 176.870 -0.121 0.000 1.080 234 L CA 1.413 56.177 54.840 -0.127 0.000 0.768 234 L CB -1.024 40.953 42.059 -0.138 0.000 0.924 234 L HN 0.309 nan 8.230 nan 0.000 0.444 235 T N 0.214 114.706 114.554 -0.104 0.000 2.607 235 T HA -0.188 4.162 4.350 0.000 0.000 0.267 235 T C 1.833 176.485 174.700 -0.080 0.000 1.049 235 T CA 1.707 63.754 62.100 -0.089 0.000 1.162 235 T CB -0.737 68.093 68.868 -0.063 0.000 0.863 235 T HN 0.539 nan 8.240 nan 0.000 0.424 236 G N 1.026 109.781 108.800 -0.075 0.000 2.462 236 G HA2 -0.136 3.824 3.960 0.000 0.000 0.220 236 G HA3 -0.136 3.824 3.960 0.000 0.000 0.220 236 G C 1.523 176.392 174.900 -0.051 0.000 1.121 236 G CA 0.745 45.809 45.100 -0.060 0.000 0.758 236 G HN 0.401 nan 8.290 nan 0.000 0.559 237 L N 0.967 122.143 121.223 -0.079 0.000 2.027 237 L HA 0.036 4.376 4.340 0.000 0.000 0.206 237 L C 2.885 179.724 176.870 -0.052 0.000 1.074 237 L CA 2.521 57.316 54.840 -0.074 0.000 0.745 237 L CB -1.014 40.980 42.059 -0.107 0.000 0.898 237 L HN 0.158 nan 8.230 nan 0.000 0.433 238 T N -1.007 113.507 114.554 -0.067 0.000 2.759 238 T HA -0.175 4.176 4.350 0.000 0.000 0.269 238 T C 2.000 176.662 174.700 -0.065 0.000 1.042 238 T CA 1.599 63.662 62.100 -0.062 0.000 1.140 238 T CB -0.517 68.305 68.868 -0.076 0.000 0.864 238 T HN 0.205 nan 8.240 nan 0.000 0.455 239 V N 1.769 121.640 119.914 -0.072 0.000 2.255 239 V HA -0.200 3.920 4.120 0.000 0.000 0.247 239 V C 2.934 179.000 176.094 -0.047 0.000 1.051 239 V CA 1.829 64.070 62.300 -0.098 0.000 1.018 239 V CB -1.246 30.555 31.823 -0.037 0.000 0.641 239 V HN 0.555 nan 8.190 nan 0.000 0.445 240 A N -0.542 122.326 122.820 0.080 0.000 1.933 240 A HA -0.246 4.074 4.320 0.000 0.000 0.218 240 A C 2.128 179.791 177.584 0.132 0.000 1.175 240 A CA 1.838 53.999 52.037 0.206 0.000 0.628 240 A CB -0.493 18.592 19.000 0.142 0.000 0.814 240 A HN 0.664 nan 8.150 nan 0.000 0.444 241 E N -1.610 118.610 120.200 0.033 0.000 2.153 241 E HA -0.235 4.115 4.350 0.000 0.000 0.194 241 E C 1.790 178.379 176.600 -0.019 0.000 0.988 241 E CA 1.411 57.815 56.400 0.007 0.000 0.811 241 E CB -0.348 29.344 29.700 -0.013 0.000 0.746 241 E HN 0.833 nan 8.360 nan 0.000 0.466 242 Y N 0.753 120.926 120.300 -0.212 0.000 2.128 242 Y HA -0.252 4.298 4.550 0.000 0.000 0.284 242 Y C 1.743 177.511 175.900 -0.220 0.000 1.154 242 Y CA 1.693 59.612 58.100 -0.302 0.000 1.149 242 Y CB -0.416 37.709 38.460 -0.557 0.000 0.976 242 Y HN -0.049 nan 8.280 nan 0.000 0.505 243 F N -0.213 119.813 119.950 0.125 0.000 2.546 243 F HA -0.053 4.474 4.527 0.000 0.000 0.298 243 F C 2.576 178.359 175.800 -0.029 0.000 1.120 243 F CA 1.049 59.093 58.000 0.074 0.000 1.456 243 F CB -0.172 38.961 39.000 0.222 0.000 1.088 243 F HN 0.019 nan 8.300 nan 0.000 0.572 244 R N 0.298 120.850 120.500 0.087 0.000 2.123 244 R HA -0.029 4.311 4.340 0.000 0.000 0.209 244 R C 1.241 177.516 176.300 -0.041 0.000 1.078 244 R CA 1.013 57.130 56.100 0.028 0.000 1.028 244 R CB 0.034 30.349 30.300 0.025 0.000 0.939 244 R HN 0.089 nan 8.270 nan 0.000 0.463 245 D N 0.084 120.430 120.400 -0.089 0.000 2.333 245 D HA -0.035 4.605 4.640 0.000 0.000 0.208 245 D C 1.450 177.646 176.300 -0.172 0.000 0.984 245 D CA 0.545 54.480 54.000 -0.107 0.000 0.873 245 D CB 0.503 41.249 40.800 -0.088 0.000 0.935 245 D HN 0.232 nan 8.370 nan 0.000 0.521 246 Q N 0.191 119.807 119.800 -0.308 0.000 2.423 246 Q HA 0.124 4.464 4.340 0.000 0.000 0.231 246 Q C 0.936 176.784 176.000 -0.254 0.000 0.894 246 Q CA 0.507 56.065 55.803 -0.408 0.000 0.938 246 Q CB 0.635 28.778 28.738 -0.992 0.000 1.079 246 Q HN 0.365 nan 8.270 nan 0.000 0.552 247 E N -0.215 119.887 120.200 -0.163 0.000 2.603 247 E HA 0.228 4.578 4.350 0.000 0.000 0.211 247 E C 0.294 176.886 176.600 -0.014 0.000 0.995 247 E CA 0.102 56.485 56.400 -0.029 0.000 0.990 247 E CB 0.814 30.574 29.700 0.100 0.000 1.036 247 E HN 0.386 nan 8.360 nan 0.000 0.475 248 G N 2.240 111.020 108.800 -0.033 0.000 2.244 248 G HA2 -0.370 3.590 3.960 0.000 0.000 0.274 248 G HA3 -0.370 3.590 3.960 0.000 0.000 0.274 248 G C 0.275 175.166 174.900 -0.015 0.000 1.002 248 G CA 0.743 45.828 45.100 -0.025 0.000 0.740 248 G HN 0.304 nan 8.290 nan 0.000 0.516 249 Q N -0.352 119.449 119.800 0.002 0.000 2.471 249 Q HA 0.370 4.710 4.340 0.000 0.000 0.223 249 Q C -0.472 175.526 176.000 -0.004 0.000 1.045 249 Q CA -0.131 55.664 55.803 -0.013 0.000 0.956 249 Q CB 0.603 29.325 28.738 -0.026 0.000 1.249 249 Q HN 0.194 nan 8.270 nan 0.000 0.549 250 D N 1.353 121.740 120.400 -0.022 0.000 2.540 250 D HA 0.197 4.837 4.640 0.000 0.000 0.251 250 D C -0.390 175.903 176.300 -0.011 0.000 1.159 250 D CA -0.082 53.901 54.000 -0.029 0.000 0.974 250 D CB 0.575 41.334 40.800 -0.068 0.000 0.996 250 D HN 0.170 nan 8.370 nan 0.000 0.512 251 V N 0.946 120.878 119.914 0.029 0.000 3.625 251 V HA 0.130 4.250 4.120 0.000 0.000 0.302 251 V C 0.777 176.898 176.094 0.045 0.000 1.112 251 V CA -0.198 62.144 62.300 0.070 0.000 1.173 251 V CB 0.807 32.719 31.823 0.148 0.000 1.096 251 V HN 0.351 nan 8.190 nan 0.000 0.486 252 L N 1.955 123.227 121.223 0.082 0.000 2.439 252 L HA 0.491 4.831 4.340 0.000 0.000 0.270 252 L C -1.353 175.550 176.870 0.055 0.000 0.972 252 L CA -0.591 54.268 54.840 0.031 0.000 0.836 252 L CB 1.743 43.878 42.059 0.127 0.000 1.255 252 L HN 0.508 nan 8.230 nan 0.000 0.404 253 L N 4.203 125.367 121.223 -0.100 0.000 2.313 253 L HA 0.584 4.924 4.340 0.000 0.000 0.283 253 L C -1.394 175.354 176.870 -0.203 0.000 1.013 253 L CA 0.181 54.993 54.840 -0.046 0.000 0.816 253 L CB 1.206 43.226 42.059 -0.065 0.000 1.236 253 L HN 0.236 nan 8.230 nan 0.000 0.419 254 F N 6.144 126.103 119.950 0.016 0.000 2.388 254 F HA 0.519 5.046 4.527 0.000 0.000 0.358 254 F C 0.089 175.741 175.800 -0.247 0.000 1.122 254 F CA -0.410 57.592 58.000 0.003 0.000 1.056 254 F CB 1.203 40.381 39.000 0.296 0.000 1.155 254 F HN 0.254 nan 8.300 nan 0.000 0.461 255 I N 3.403 123.922 120.570 -0.085 0.000 2.428 255 I HA 0.151 4.321 4.170 0.000 0.000 0.279 255 I C -0.444 175.604 176.117 -0.114 0.000 1.040 255 I CA -0.510 60.675 61.300 -0.192 0.000 1.171 255 I CB 0.898 38.786 38.000 -0.186 0.000 1.312 255 I HN 0.475 nan 8.210 nan 0.000 0.470 256 D N 7.392 127.685 120.400 -0.178 0.000 2.352 256 D HA 0.053 4.694 4.640 0.000 0.000 0.245 256 D C -0.306 176.016 176.300 0.037 0.000 1.224 256 D CA 0.158 54.177 54.000 0.032 0.000 0.879 256 D CB 0.449 41.380 40.800 0.218 0.000 1.057 256 D HN 0.489 nan 8.370 nan 0.000 0.491 257 N N 3.475 122.213 118.700 0.064 0.000 2.596 257 N HA -0.192 4.548 4.740 0.000 0.000 0.274 257 N C 0.425 176.015 175.510 0.133 0.000 1.258 257 N CA 0.001 53.125 53.050 0.123 0.000 0.636 257 N CB -1.182 37.390 38.487 0.142 0.000 0.928 257 N HN 0.512 nan 8.380 nan 0.000 0.540 258 I N 1.936 122.580 120.570 0.124 0.000 2.761 258 I HA 0.052 4.222 4.170 0.000 0.000 0.261 258 I C 1.832 178.124 176.117 0.292 0.000 1.198 258 I CA 0.868 62.253 61.300 0.141 0.000 1.482 258 I CB -0.247 37.790 38.000 0.061 0.000 1.100 258 I HN 0.569 nan 8.210 nan 0.000 0.445 259 F N 1.851 121.891 119.950 0.150 0.000 2.069 259 F HA -0.221 4.306 4.527 0.000 0.000 0.298 259 F C 2.465 178.373 175.800 0.181 0.000 1.113 259 F CA 1.817 59.927 58.000 0.182 0.000 1.214 259 F CB -0.477 38.675 39.000 0.253 0.000 0.978 259 F HN -0.046 nan 8.300 nan 0.000 0.474 260 R N -0.783 119.805 120.500 0.147 0.000 2.341 260 R HA -0.162 4.178 4.340 0.000 0.000 0.213 260 R C 2.020 178.332 176.300 0.020 0.000 1.082 260 R CA 1.117 57.222 56.100 0.007 0.000 1.017 260 R CB -0.722 29.642 30.300 0.108 0.000 0.860 260 R HN 0.458 nan 8.270 nan 0.000 0.473 261 F N 0.941 120.849 119.950 -0.071 0.000 2.123 261 F HA -0.059 4.468 4.527 0.000 0.000 0.289 261 F C 2.002 177.751 175.800 -0.085 0.000 1.099 261 F CA 1.332 59.296 58.000 -0.059 0.000 1.234 261 F CB -0.745 38.230 39.000 -0.042 0.000 1.034 261 F HN -0.231 nan 8.300 nan 0.000 0.479 262 T N 1.185 115.522 114.554 -0.362 0.000 2.570 262 T HA -0.263 4.087 4.350 0.000 0.000 0.266 262 T C 1.878 176.363 174.700 -0.359 0.000 1.071 262 T CA 1.969 63.791 62.100 -0.462 0.000 1.172 262 T CB -0.499 68.204 68.868 -0.275 0.000 0.864 262 T HN 0.273 nan 8.240 nan 0.000 0.421 263 Q N 0.606 120.174 119.800 -0.387 0.000 2.077 263 Q HA -0.115 4.225 4.340 0.000 0.000 0.206 263 Q C 2.736 178.625 176.000 -0.185 0.000 0.989 263 Q CA 1.841 57.477 55.803 -0.278 0.000 0.853 263 Q CB -0.891 27.612 28.738 -0.391 0.000 0.907 263 Q HN 0.603 nan 8.270 nan 0.000 0.418 264 A N 0.506 123.217 122.820 -0.182 0.000 1.917 264 A HA -0.171 4.149 4.320 0.000 0.000 0.219 264 A C 2.330 179.825 177.584 -0.149 0.000 1.182 264 A CA 2.058 54.024 52.037 -0.119 0.000 0.633 264 A CB -1.157 17.806 19.000 -0.062 0.000 0.819 264 A HN 0.490 nan 8.150 nan 0.000 0.448 265 G N -0.670 107.972 108.800 -0.262 0.000 2.446 265 G HA2 -0.179 3.781 3.960 0.000 0.000 0.217 265 G HA3 -0.179 3.781 3.960 0.000 0.000 0.217 265 G C 1.827 176.650 174.900 -0.128 0.000 1.168 265 G CA 1.371 46.326 45.100 -0.241 0.000 0.771 265 G HN 0.530 nan 8.290 nan 0.000 0.551 266 S N 0.859 116.501 115.700 -0.096 0.000 2.383 266 S HA -0.113 4.358 4.470 0.000 0.000 0.229 266 S C 2.103 176.669 174.600 -0.057 0.000 1.030 266 S CA 1.555 59.725 58.200 -0.049 0.000 1.002 266 S CB -0.259 62.919 63.200 -0.035 0.000 0.829 266 S HN 0.630 nan 8.310 nan 0.000 0.467 267 E N 0.649 120.810 120.200 -0.064 0.000 2.106 267 E HA -0.072 4.278 4.350 0.000 0.000 0.192 267 E C 2.084 178.662 176.600 -0.037 0.000 0.984 267 E CA 0.997 57.368 56.400 -0.048 0.000 0.806 267 E CB -0.233 29.441 29.700 -0.045 0.000 0.750 267 E HN 0.301 nan 8.360 nan 0.000 0.458 268 V N 0.781 120.670 119.914 -0.041 0.000 2.270 268 V HA -0.252 3.868 4.120 0.000 0.000 0.245 268 V C 2.409 178.488 176.094 -0.026 0.000 1.043 268 V CA 1.783 64.066 62.300 -0.028 0.000 1.014 268 V CB -0.573 31.233 31.823 -0.029 0.000 0.645 268 V HN 0.234 nan 8.190 nan 0.000 0.447 269 S N -0.146 115.534 115.700 -0.034 0.000 2.369 269 S HA -0.299 4.171 4.470 0.000 0.000 0.225 269 S C 2.160 176.747 174.600 -0.021 0.000 1.043 269 S CA 2.093 60.276 58.200 -0.027 0.000 1.074 269 S CB -0.506 62.677 63.200 -0.028 0.000 0.962 269 S HN 0.643 nan 8.310 nan 0.000 0.433 270 A N 1.261 124.066 122.820 -0.026 0.000 1.877 270 A HA -0.012 4.308 4.320 0.000 0.000 0.216 270 A C 2.236 179.810 177.584 -0.016 0.000 1.186 270 A CA 1.603 53.626 52.037 -0.023 0.000 0.620 270 A CB -0.940 18.042 19.000 -0.030 0.000 0.822 270 A HN 0.574 nan 8.150 nan 0.000 0.443 271 L N -0.771 120.443 121.223 -0.016 0.000 2.081 271 L HA -0.193 4.147 4.340 0.000 0.000 0.212 271 L C 2.095 178.961 176.870 -0.005 0.000 1.080 271 L CA 1.089 55.923 54.840 -0.009 0.000 0.754 271 L CB -0.458 41.596 42.059 -0.007 0.000 0.893 271 L HN 0.376 nan 8.230 nan 0.000 0.433 272 L N -0.351 120.868 121.223 -0.007 0.000 2.610 272 L HA 0.065 4.405 4.340 0.000 0.000 0.232 272 L C 1.422 178.289 176.870 -0.004 0.000 1.149 272 L CA 0.470 55.308 54.840 -0.004 0.000 0.872 272 L CB -0.570 41.485 42.059 -0.007 0.000 0.992 272 L HN 0.485 nan 8.230 nan 0.000 0.447 273 G N 0.669 109.465 108.800 -0.006 0.000 2.160 273 G HA2 -0.305 3.655 3.960 0.000 0.000 0.251 273 G HA3 -0.305 3.655 3.960 0.000 0.000 0.251 273 G C 0.330 175.226 174.900 -0.006 0.000 1.008 273 G CA -0.050 45.046 45.100 -0.006 0.000 0.724 273 G HN 0.394 nan 8.290 nan 0.000 0.514 274 R N -0.716 119.779 120.500 -0.008 0.000 2.531 274 R HA 0.532 4.872 4.340 0.000 0.000 0.273 274 R C 0.843 177.139 176.300 -0.007 0.000 1.070 274 R CA -0.636 55.459 56.100 -0.007 0.000 1.112 274 R CB 0.817 31.112 30.300 -0.009 0.000 1.049 274 R HN 0.289 nan 8.270 nan 0.000 0.508 275 I N 4.417 124.984 120.570 -0.005 0.000 2.436 275 I HA 0.100 4.270 4.170 0.000 0.000 0.289 275 I C -1.818 174.298 176.117 -0.001 0.000 1.083 275 I CA -1.840 59.458 61.300 -0.004 0.000 1.372 275 I CB 0.581 38.580 38.000 -0.001 0.000 1.408 275 I HN 0.256 nan 8.210 nan 0.000 0.516 276 P HA 0.039 nan 4.420 nan 0.000 0.268 276 P C -0.253 177.055 177.300 0.013 0.000 1.208 276 P CA -0.158 62.941 63.100 -0.001 0.000 0.777 276 P CB 0.572 32.258 31.700 -0.022 0.000 0.875 277 S N 0.843 116.565 115.700 0.036 0.000 2.647 277 S HA 0.693 5.163 4.470 0.000 0.000 0.284 277 S C 0.094 174.729 174.600 0.058 0.000 1.134 277 S CA -0.719 57.509 58.200 0.047 0.000 1.027 277 S CB -0.032 63.205 63.200 0.061 0.000 1.180 277 S HN 0.571 nan 8.310 nan 0.000 0.521 278 A N 0.151 123.012 122.820 0.069 0.000 2.587 278 A HA 0.412 4.732 4.320 0.000 0.000 0.233 278 A C 1.037 178.690 177.584 0.116 0.000 1.049 278 A CA 0.115 52.197 52.037 0.075 0.000 0.754 278 A CB -1.154 17.890 19.000 0.073 0.000 0.977 278 A HN 1.848 nan 8.150 nan 0.000 0.509 279 V N 1.110 121.067 119.914 0.072 0.000 4.112 279 V HA -0.305 3.816 4.120 0.000 0.000 0.233 279 V C 1.840 177.860 176.094 -0.123 0.000 0.458 279 V CA 1.591 63.917 62.300 0.045 0.000 0.909 279 V CB -2.595 29.343 31.823 0.192 0.000 0.963 279 V HN 2.936 nan 8.190 nan 0.000 1.260 280 G N -2.460 106.281 108.800 -0.099 0.000 2.196 280 G HA2 -0.375 3.585 3.960 0.000 0.000 0.268 280 G HA3 -0.375 3.585 3.960 0.000 0.000 0.268 280 G C 0.005 174.759 174.900 -0.242 0.000 0.975 280 G CA 0.773 45.763 45.100 -0.182 0.000 0.648 280 G HN 0.880 nan 8.290 nan 0.000 0.538 281 Y N 1.043 121.342 120.300 -0.002 0.000 2.230 281 Y HA 0.442 4.992 4.550 0.000 0.000 0.354 281 Y C 1.358 177.240 175.900 -0.030 0.000 1.343 281 Y CA -0.008 58.079 58.100 -0.022 0.000 1.693 281 Y CB 0.261 38.712 38.460 -0.014 0.000 1.553 281 Y HN 0.342 nan 8.280 nan 0.000 0.599 282 Q N 1.049 120.937 119.800 0.146 0.000 2.299 282 Q HA 0.188 4.528 4.340 0.000 0.000 0.246 282 Q C -2.540 173.490 176.000 0.051 0.000 0.935 282 Q CA -1.987 53.847 55.803 0.053 0.000 0.887 282 Q CB 0.988 29.730 28.738 0.007 0.000 1.223 282 Q HN 0.318 nan 8.270 nan 0.000 0.439 283 P HA -0.159 nan 4.420 nan 0.000 0.215 283 P C 1.172 178.483 177.300 0.018 0.000 1.153 283 P CA 2.407 65.522 63.100 0.024 0.000 0.853 283 P CB -0.137 31.570 31.700 0.012 0.000 0.788 284 T N -3.064 111.494 114.554 0.007 0.000 3.155 284 T HA -0.095 4.255 4.350 0.000 0.000 0.264 284 T C 1.568 176.268 174.700 -0.000 0.000 1.160 284 T CA 0.221 62.321 62.100 0.001 0.000 1.075 284 T CB -1.169 67.692 68.868 -0.011 0.000 0.921 284 T HN -0.135 nan 8.240 nan 0.000 0.533 285 L N 2.254 123.477 121.223 0.000 0.000 2.056 285 L HA -0.290 4.050 4.340 0.000 0.000 0.237 285 L C 2.806 179.682 176.870 0.010 0.000 1.106 285 L CA 2.513 57.343 54.840 -0.017 0.000 0.829 285 L CB -1.395 40.654 42.059 -0.016 0.000 0.924 285 L HN 0.383 nan 8.230 nan 0.000 0.447 286 A N -2.102 120.738 122.820 0.032 0.000 1.933 286 A HA -0.223 4.097 4.320 0.000 0.000 0.218 286 A C 2.242 179.882 177.584 0.093 0.000 1.175 286 A CA 2.642 54.723 52.037 0.073 0.000 0.628 286 A CB -1.264 17.768 19.000 0.055 0.000 0.814 286 A HN 0.727 nan 8.150 nan 0.000 0.444 287 T N -2.490 112.098 114.554 0.058 0.000 2.896 287 T HA -0.083 4.267 4.350 0.000 0.000 0.263 287 T C 1.370 176.108 174.700 0.062 0.000 1.050 287 T CA 1.246 63.379 62.100 0.055 0.000 1.140 287 T CB -0.412 68.474 68.868 0.030 0.000 0.877 287 T HN 0.305 nan 8.240 nan 0.000 0.457 288 D N 0.959 121.388 120.400 0.048 0.000 2.149 288 D HA -0.021 4.619 4.640 0.000 0.000 0.198 288 D C 1.839 178.250 176.300 0.185 0.000 0.990 288 D CA 0.966 55.004 54.000 0.063 0.000 0.839 288 D CB -0.343 40.417 40.800 -0.066 0.000 0.948 288 D HN 0.300 nan 8.370 nan 0.000 0.460 289 M N -0.101 119.597 119.600 0.163 0.000 2.419 289 M HA 0.143 4.623 4.480 0.000 0.000 0.264 289 M C 1.715 178.036 176.300 0.035 0.000 1.082 289 M CA 0.983 56.411 55.300 0.214 0.000 1.119 289 M CB -0.193 32.547 32.600 0.233 0.000 1.398 289 M HN -0.026 nan 8.290 nan 0.000 0.453 290 G N -0.916 107.929 108.800 0.075 0.000 2.424 290 G HA2 -0.184 3.776 3.960 0.000 0.000 0.214 290 G HA3 -0.184 3.776 3.960 0.000 0.000 0.214 290 G C 1.432 176.319 174.900 -0.022 0.000 1.202 290 G CA 1.323 46.440 45.100 0.027 0.000 0.793 290 G HN 0.525 nan 8.290 nan 0.000 0.534 291 T N -1.119 113.451 114.554 0.026 0.000 2.721 291 T HA -0.219 4.131 4.350 0.000 0.000 0.268 291 T C 2.203 176.905 174.700 0.003 0.000 1.038 291 T CA 1.994 64.110 62.100 0.027 0.000 1.145 291 T CB -0.227 68.675 68.868 0.056 0.000 0.858 291 T HN 0.143 nan 8.240 nan 0.000 0.459 292 M N 0.292 119.888 119.600 -0.007 0.000 2.171 292 M HA 0.042 4.522 4.480 0.000 0.000 0.260 292 M C 2.381 178.580 176.300 -0.168 0.000 1.087 292 M CA 1.347 56.597 55.300 -0.083 0.000 1.154 292 M CB -0.782 31.739 32.600 -0.131 0.000 1.331 292 M HN 0.159 nan 8.290 nan 0.000 0.431 293 Q N 0.979 120.629 119.800 -0.249 0.000 2.112 293 Q HA -0.191 4.149 4.340 0.000 0.000 0.206 293 Q C 1.728 177.587 176.000 -0.235 0.000 0.987 293 Q CA 1.572 57.170 55.803 -0.341 0.000 0.858 293 Q CB -0.704 27.592 28.738 -0.737 0.000 0.905 293 Q HN 0.590 nan 8.270 nan 0.000 0.420 294 E N 0.286 120.378 120.200 -0.179 0.000 2.401 294 E HA -0.126 4.224 4.350 0.000 0.000 0.199 294 E C 1.419 177.985 176.600 -0.057 0.000 1.023 294 E CA 0.343 56.696 56.400 -0.079 0.000 0.859 294 E CB -0.082 29.602 29.700 -0.028 0.000 0.780 294 E HN 0.312 nan 8.360 nan 0.000 0.523 295 R N 0.266 120.723 120.500 -0.072 0.000 2.319 295 R HA 0.186 4.526 4.340 0.000 0.000 0.204 295 R C 0.452 176.714 176.300 -0.063 0.000 0.954 295 R CA 0.157 56.224 56.100 -0.055 0.000 1.066 295 R CB 0.243 30.510 30.300 -0.054 0.000 0.991 295 R HN 0.030 nan 8.270 nan 0.000 0.486 296 I N 1.422 121.946 120.570 -0.077 0.000 2.464 296 I HA 0.222 4.392 4.170 0.000 0.000 0.277 296 I C -0.347 175.734 176.117 -0.061 0.000 1.040 296 I CA -0.346 60.907 61.300 -0.077 0.000 1.153 296 I CB 1.447 39.383 38.000 -0.108 0.000 1.274 296 I HN 0.044 nan 8.210 nan 0.000 0.469 297 T N -0.176 114.349 114.554 -0.048 0.000 2.677 297 T HA 0.292 4.642 4.350 0.000 0.000 0.305 297 T C -0.419 174.257 174.700 -0.041 0.000 1.569 297 T CA -0.812 61.263 62.100 -0.042 0.000 0.984 297 T CB 1.542 70.391 68.868 -0.033 0.000 1.629 297 T HN 0.135 nan 8.240 nan 0.000 0.494 298 T N 2.742 117.271 114.554 -0.043 0.000 2.749 298 T HA 0.626 4.976 4.350 0.000 0.000 0.295 298 T C 0.509 175.181 174.700 -0.047 0.000 0.936 298 T CA -0.333 61.741 62.100 -0.044 0.000 1.060 298 T CB 0.573 69.413 68.868 -0.046 0.000 0.904 298 T HN 0.976 nan 8.240 nan 0.000 0.500 299 T N 0.427 114.955 114.554 -0.043 0.000 2.950 299 T HA 0.444 4.795 4.350 0.000 0.000 0.288 299 T C 1.247 175.921 174.700 -0.043 0.000 1.035 299 T CA -1.133 60.941 62.100 -0.044 0.000 1.028 299 T CB 1.463 70.309 68.868 -0.037 0.000 1.109 299 T HN 0.421 nan 8.240 nan 0.000 0.514 300 K N 0.374 120.747 120.400 -0.045 0.000 2.160 300 K HA -0.135 4.185 4.320 0.000 0.000 0.206 300 K C 2.161 178.741 176.600 -0.034 0.000 1.047 300 K CA 1.522 57.785 56.287 -0.040 0.000 0.930 300 K CB -0.125 32.352 32.500 -0.038 0.000 0.720 300 K HN 0.560 nan 8.250 nan 0.000 0.450 301 K N -0.306 120.073 120.400 -0.034 0.000 2.062 301 K HA -0.020 4.301 4.320 0.000 0.000 0.205 301 K C 1.454 178.035 176.600 -0.030 0.000 1.051 301 K CA 1.167 57.434 56.287 -0.033 0.000 0.941 301 K CB 0.212 32.689 32.500 -0.038 0.000 0.719 301 K HN 0.307 nan 8.250 nan 0.000 0.440 302 G N -0.168 108.614 108.800 -0.030 0.000 2.929 302 G HA2 0.279 4.239 3.960 0.000 0.000 0.123 302 G HA3 0.279 4.239 3.960 0.000 0.000 0.123 302 G C -1.325 173.558 174.900 -0.029 0.000 1.212 302 G CA 0.150 45.235 45.100 -0.027 0.000 1.238 302 G HN 0.229 nan 8.290 nan 0.000 0.617 303 S N -1.294 114.392 115.700 -0.024 0.000 2.680 303 S HA 0.540 5.010 4.470 0.000 0.000 0.284 303 S C -1.902 172.686 174.600 -0.021 0.000 1.055 303 S CA -0.724 57.459 58.200 -0.029 0.000 0.849 303 S CB 0.675 63.849 63.200 -0.042 0.000 1.068 303 S HN 1.030 nan 8.310 nan 0.000 0.453 304 I N 2.217 122.770 120.570 -0.027 0.000 2.447 304 I HA 0.433 4.604 4.170 0.000 0.000 0.287 304 I C -0.408 175.676 176.117 -0.056 0.000 1.023 304 I CA -0.461 60.824 61.300 -0.025 0.000 1.083 304 I CB 2.307 40.297 38.000 -0.017 0.000 1.245 304 I HN 0.712 nan 8.210 nan 0.000 0.434 305 T N 3.637 118.151 114.554 -0.067 0.000 2.859 305 T HA 0.408 4.758 4.350 0.000 0.000 0.281 305 T C -0.284 174.320 174.700 -0.161 0.000 1.005 305 T CA -0.572 61.468 62.100 -0.099 0.000 1.025 305 T CB 1.697 70.525 68.868 -0.067 0.000 0.977 305 T HN 0.539 nan 8.240 nan 0.000 0.458 306 S N 1.750 117.324 115.700 -0.211 0.000 2.557 306 S HA 0.559 5.029 4.470 0.000 0.000 0.291 306 S C -0.882 173.504 174.600 -0.358 0.000 1.116 306 S CA -0.641 57.384 58.200 -0.292 0.000 0.992 306 S CB 0.926 63.993 63.200 -0.221 0.000 1.028 306 S HN 0.451 nan 8.310 nan 0.000 0.484 307 V N 6.353 125.961 119.914 -0.510 0.000 2.318 307 V HA 0.379 4.499 4.120 0.000 0.000 0.271 307 V C -0.393 175.574 176.094 -0.211 0.000 1.030 307 V CA -0.383 61.683 62.300 -0.391 0.000 0.844 307 V CB 0.982 32.559 31.823 -0.409 0.000 1.015 307 V HN 0.869 nan 8.190 nan 0.000 0.460 308 Q N 4.129 123.818 119.800 -0.185 0.000 2.347 308 Q HA 0.710 5.050 4.340 0.000 0.000 0.262 308 Q C -0.075 175.843 176.000 -0.137 0.000 0.980 308 Q CA -0.564 55.158 55.803 -0.135 0.000 0.867 308 Q CB 2.100 30.740 28.738 -0.163 0.000 1.242 308 Q HN 0.733 nan 8.270 nan 0.000 0.453 309 A N 4.501 127.288 122.820 -0.055 0.000 2.454 309 A HA 0.367 4.687 4.320 0.000 0.000 0.260 309 A C -0.246 177.266 177.584 -0.121 0.000 1.106 309 A CA -0.137 51.855 52.037 -0.076 0.000 0.780 309 A CB 0.078 19.104 19.000 0.044 0.000 1.044 309 A HN 0.773 nan 8.150 nan 0.000 0.498 310 I N 2.209 122.596 120.570 -0.304 0.000 2.404 310 I HA 0.231 4.401 4.170 0.000 0.000 0.293 310 I C -0.967 175.125 176.117 -0.043 0.000 0.992 310 I CA -0.534 60.625 61.300 -0.235 0.000 1.149 310 I CB 1.705 39.389 38.000 -0.527 0.000 1.315 310 I HN 0.742 nan 8.210 nan 0.000 0.446 311 Y N 6.936 127.194 120.300 -0.071 0.000 2.369 311 Y HA 0.437 4.987 4.550 0.000 0.000 0.337 311 Y C -0.639 175.113 175.900 -0.247 0.000 0.961 311 Y CA -0.917 57.077 58.100 -0.176 0.000 1.186 311 Y CB 1.155 39.409 38.460 -0.343 0.000 1.139 311 Y HN 0.228 nan 8.280 nan 0.000 0.494 312 V N 10.046 129.648 119.914 -0.520 0.000 2.387 312 V HA 0.217 4.337 4.120 0.000 0.000 0.260 312 V C -2.057 173.499 176.094 -0.896 0.000 1.054 312 V CA -1.765 60.257 62.300 -0.464 0.000 0.967 312 V CB 0.317 32.075 31.823 -0.110 0.000 1.036 312 V HN 0.723 nan 8.190 nan 0.000 0.481 313 P HA 0.117 nan 4.420 nan 0.000 0.264 313 P C 0.585 177.739 177.300 -0.244 0.000 1.193 313 P CA 0.672 63.456 63.100 -0.528 0.000 0.763 313 P CB 0.577 32.217 31.700 -0.100 0.000 0.810 314 A N 4.132 126.862 122.820 -0.150 0.000 2.774 314 A HA -0.276 4.044 4.320 0.000 0.000 0.290 314 A C 0.999 178.540 177.584 -0.072 0.000 1.484 314 A CA 1.248 53.253 52.037 -0.053 0.000 0.863 314 A CB -2.444 16.551 19.000 -0.009 0.000 0.989 314 A HN 0.714 nan 8.150 nan 0.000 0.554 315 D N -1.774 118.549 120.400 -0.129 0.000 2.983 315 D HA -0.213 4.427 4.640 0.000 0.000 0.225 315 D C -0.163 176.088 176.300 -0.082 0.000 1.174 315 D CA 1.898 55.843 54.000 -0.093 0.000 0.831 315 D CB -0.993 39.781 40.800 -0.043 0.000 1.104 315 D HN 0.965 nan 8.370 nan 0.000 0.421 316 D N 0.401 120.747 120.400 -0.090 0.000 2.396 316 D HA 0.256 4.896 4.640 0.000 0.000 0.225 316 D C 1.482 177.735 176.300 -0.077 0.000 1.121 316 D CA -0.472 53.487 54.000 -0.068 0.000 0.853 316 D CB 0.558 41.336 40.800 -0.037 0.000 1.043 316 D HN 0.049 nan 8.370 nan 0.000 0.500 317 L N 2.552 123.712 121.223 -0.105 0.000 2.191 317 L HA -0.115 4.225 4.340 0.000 0.000 0.212 317 L C 2.296 179.078 176.870 -0.146 0.000 1.103 317 L CA 1.477 56.220 54.840 -0.160 0.000 0.769 317 L CB -0.447 41.453 42.059 -0.265 0.000 0.908 317 L HN 0.540 nan 8.230 nan 0.000 0.438 318 T N -4.196 110.298 114.554 -0.100 0.000 3.085 318 T HA -0.103 4.247 4.350 0.000 0.000 0.263 318 T C 0.838 175.526 174.700 -0.019 0.000 1.127 318 T CA -0.245 61.814 62.100 -0.068 0.000 1.103 318 T CB -0.353 68.484 68.868 -0.053 0.000 0.921 318 T HN 0.234 nan 8.240 nan 0.000 0.510 319 D N 2.633 123.035 120.400 0.003 0.000 2.506 319 D HA 0.008 4.648 4.640 0.000 0.000 0.234 319 D C -1.421 174.897 176.300 0.031 0.000 1.143 319 D CA -1.276 52.761 54.000 0.062 0.000 0.871 319 D CB 1.368 42.228 40.800 0.100 0.000 1.190 319 D HN 0.029 nan 8.370 nan 0.000 0.459 320 P HA -0.252 nan 4.420 nan 0.000 0.216 320 P C 1.002 178.164 177.300 -0.230 0.000 1.167 320 P CA 2.501 65.532 63.100 -0.116 0.000 0.914 320 P CB -0.019 31.608 31.700 -0.122 0.000 0.793 321 A N 0.101 122.638 122.820 -0.472 0.000 1.859 321 A HA -0.219 4.101 4.320 0.000 0.000 0.218 321 A C 0.142 177.759 177.584 0.055 0.000 1.242 321 A CA 3.452 55.340 52.037 -0.247 0.000 0.661 321 A CB -2.490 16.543 19.000 0.055 0.000 0.842 321 A HN 0.234 nan 8.150 nan 0.000 0.455 322 P HA -0.201 nan 4.420 nan 0.000 0.214 322 P C 1.625 179.158 177.300 0.388 0.000 1.163 322 P CA 2.362 65.653 63.100 0.319 0.000 0.883 322 P CB -0.388 31.523 31.700 0.351 0.000 0.788 323 A N -0.432 122.506 122.820 0.197 0.000 1.997 323 A HA -0.188 4.132 4.320 0.000 0.000 0.221 323 A C 2.305 179.964 177.584 0.126 0.000 1.172 323 A CA 2.579 54.689 52.037 0.122 0.000 0.645 323 A CB -1.953 17.052 19.000 0.007 0.000 0.813 323 A HN 0.273 nan 8.150 nan 0.000 0.454 324 T N -1.156 113.451 114.554 0.090 0.000 3.014 324 T HA -0.024 4.326 4.350 0.000 0.000 0.263 324 T C 1.830 176.604 174.700 0.124 0.000 1.078 324 T CA 1.592 63.730 62.100 0.064 0.000 1.135 324 T CB -0.146 68.736 68.868 0.022 0.000 0.895 324 T HN 0.542 nan 8.240 nan 0.000 0.480 325 T N 1.225 115.885 114.554 0.176 0.000 2.978 325 T HA 0.140 4.490 4.350 0.000 0.000 0.262 325 T C 1.275 176.014 174.700 0.066 0.000 1.063 325 T CA 0.426 62.619 62.100 0.154 0.000 1.140 325 T CB -0.297 68.632 68.868 0.103 0.000 0.886 325 T HN 0.290 nan 8.240 nan 0.000 0.470 326 F N 1.576 121.554 119.950 0.047 0.000 2.604 326 F HA 0.209 4.736 4.527 0.000 0.000 0.298 326 F C 2.303 178.082 175.800 -0.035 0.000 1.131 326 F CA 0.092 58.111 58.000 0.031 0.000 1.457 326 F CB -0.298 38.719 39.000 0.028 0.000 1.095 326 F HN 0.139 nan 8.300 nan 0.000 0.574 327 A N -1.308 121.519 122.820 0.012 0.000 2.067 327 A HA -0.105 4.215 4.320 0.000 0.000 0.217 327 A C 1.556 178.966 177.584 -0.290 0.000 1.156 327 A CA 1.114 53.043 52.037 -0.179 0.000 0.683 327 A CB -0.595 18.204 19.000 -0.336 0.000 0.808 327 A HN 0.380 nan 8.150 nan 0.000 0.455 328 H N -0.999 118.080 119.070 0.016 0.000 2.549 328 H HA 0.365 4.921 4.556 0.000 0.000 0.279 328 H C -0.162 175.131 175.328 -0.060 0.000 1.018 328 H CA -0.095 55.940 56.048 -0.021 0.000 1.175 328 H CB 0.050 29.795 29.762 -0.029 0.000 1.485 328 H HN 0.311 nan 8.280 nan 0.000 0.543 329 L N 0.828 122.054 121.223 0.004 0.000 2.343 329 L HA 0.213 4.553 4.340 0.000 0.000 0.275 329 L C 0.743 177.597 176.870 -0.027 0.000 1.056 329 L CA -0.296 54.510 54.840 -0.058 0.000 0.804 329 L CB 1.491 43.452 42.059 -0.162 0.000 1.203 329 L HN -0.003 nan 8.230 nan 0.000 0.440 330 D N 0.902 121.272 120.400 -0.051 0.000 2.479 330 D HA 0.317 4.957 4.640 0.000 0.000 0.221 330 D C 0.127 176.411 176.300 -0.027 0.000 1.104 330 D CA 0.377 54.360 54.000 -0.029 0.000 0.849 330 D CB 1.747 42.524 40.800 -0.038 0.000 1.072 330 D HN 0.543 nan 8.370 nan 0.000 0.502 331 A N 0.509 123.292 122.820 -0.063 0.000 2.610 331 A HA 0.616 4.936 4.320 0.000 0.000 0.291 331 A C -1.157 176.408 177.584 -0.033 0.000 1.086 331 A CA -0.594 51.417 52.037 -0.042 0.000 0.677 331 A CB 1.567 20.521 19.000 -0.077 0.000 1.278 331 A HN -0.043 nan 8.150 nan 0.000 0.414 332 T N -1.100 113.491 114.554 0.061 0.000 3.011 332 T HA 0.632 4.982 4.350 0.000 0.000 0.303 332 T C -0.751 174.076 174.700 0.212 0.000 0.997 332 T CA -0.398 61.813 62.100 0.186 0.000 1.007 332 T CB 1.334 70.366 68.868 0.273 0.000 1.017 332 T HN 0.585 nan 8.240 nan 0.000 0.443 333 T N 3.283 117.981 114.554 0.240 0.000 2.781 333 T HA 0.458 4.808 4.350 0.000 0.000 0.305 333 T C 0.040 174.920 174.700 0.301 0.000 1.001 333 T CA -0.408 61.851 62.100 0.266 0.000 0.950 333 T CB 0.416 69.472 68.868 0.312 0.000 0.955 333 T HN 0.621 nan 8.240 nan 0.000 0.471 334 V N 6.428 126.492 119.914 0.249 0.000 2.364 334 V HA 0.358 4.478 4.120 0.000 0.000 0.272 334 V C 0.321 176.522 176.094 0.178 0.000 1.036 334 V CA -0.752 61.692 62.300 0.239 0.000 0.880 334 V CB 0.739 32.641 31.823 0.131 0.000 0.991 334 V HN 0.736 nan 8.190 nan 0.000 0.460 335 L N 4.077 125.413 121.223 0.190 0.000 2.375 335 L HA 0.621 4.961 4.340 0.000 0.000 0.271 335 L C 0.404 177.343 176.870 0.115 0.000 1.107 335 L CA 0.126 55.054 54.840 0.147 0.000 0.806 335 L CB 1.683 43.835 42.059 0.155 0.000 1.146 335 L HN 0.728 nan 8.230 nan 0.000 0.447 336 S N 1.787 117.536 115.700 0.081 0.000 2.619 336 S HA 0.373 4.843 4.470 0.000 0.000 0.280 336 S C 0.525 175.147 174.600 0.036 0.000 1.150 336 S CA -0.834 57.400 58.200 0.056 0.000 0.978 336 S CB 1.702 64.923 63.200 0.036 0.000 1.041 336 S HN 0.677 nan 8.310 nan 0.000 0.485 337 R N 2.596 123.120 120.500 0.040 0.000 2.105 337 R HA -0.074 4.266 4.340 0.000 0.000 0.239 337 R C 2.471 178.774 176.300 0.005 0.000 1.135 337 R CA 1.650 57.768 56.100 0.030 0.000 0.967 337 R CB -0.625 29.697 30.300 0.035 0.000 0.861 337 R HN 0.804 nan 8.270 nan 0.000 0.442 338 A N 1.330 124.151 122.820 0.002 0.000 1.948 338 A HA -0.172 4.148 4.320 0.000 0.000 0.220 338 A C 2.018 179.584 177.584 -0.031 0.000 1.177 338 A CA 1.340 53.370 52.037 -0.013 0.000 0.636 338 A CB -0.344 18.649 19.000 -0.011 0.000 0.815 338 A HN 0.116 nan 8.150 nan 0.000 0.449 339 I N -0.564 119.985 120.570 -0.034 0.000 2.333 339 I HA -0.108 4.062 4.170 0.000 0.000 0.246 339 I C 2.929 178.956 176.117 -0.149 0.000 1.106 339 I CA 1.245 62.505 61.300 -0.068 0.000 1.411 339 I CB -1.723 36.252 38.000 -0.043 0.000 1.082 339 I HN 0.336 nan 8.210 nan 0.000 0.420 340 A N 0.969 123.714 122.820 -0.125 0.000 1.940 340 A HA -0.222 4.098 4.320 0.000 0.000 0.219 340 A C 2.223 179.708 177.584 -0.166 0.000 1.176 340 A CA 1.710 53.635 52.037 -0.188 0.000 0.631 340 A CB -0.613 18.400 19.000 0.022 0.000 0.814 340 A HN 0.505 nan 8.150 nan 0.000 0.446 341 E N 0.090 120.245 120.200 -0.074 0.000 2.031 341 E HA -0.123 4.227 4.350 0.000 0.000 0.193 341 E C 1.643 178.204 176.600 -0.066 0.000 0.994 341 E CA 1.159 57.537 56.400 -0.037 0.000 0.800 341 E CB -0.381 29.308 29.700 -0.019 0.000 0.752 341 E HN 0.620 nan 8.360 nan 0.000 0.447 342 L N 0.178 121.345 121.223 -0.093 0.000 2.651 342 L HA -0.090 4.250 4.340 0.000 0.000 0.236 342 L C 1.542 178.333 176.870 -0.131 0.000 1.173 342 L CA 0.755 55.538 54.840 -0.095 0.000 0.843 342 L CB -0.922 41.090 42.059 -0.079 0.000 0.964 342 L HN 0.445 nan 8.230 nan 0.000 0.454 343 G N 0.449 109.134 108.800 -0.191 0.000 2.179 343 G HA2 -0.298 3.662 3.960 0.000 0.000 0.260 343 G HA3 -0.298 3.662 3.960 0.000 0.000 0.260 343 G C 0.287 174.999 174.900 -0.314 0.000 0.977 343 G CA -0.129 44.875 45.100 -0.161 0.000 0.641 343 G HN 0.350 nan 8.290 nan 0.000 0.533 344 I N 0.942 121.277 120.570 -0.392 0.000 2.436 344 I HA 0.400 4.570 4.170 0.000 0.000 0.289 344 I C -0.001 175.802 176.117 -0.525 0.000 1.083 344 I CA -0.247 60.918 61.300 -0.224 0.000 1.372 344 I CB 0.194 38.141 38.000 -0.089 0.000 1.408 344 I HN 0.095 nan 8.210 nan 0.000 0.516 345 Y N 7.340 127.639 120.300 -0.001 0.000 2.442 345 Y HA 0.394 4.944 4.550 0.000 0.000 0.344 345 Y C -2.240 173.514 175.900 -0.243 0.000 0.976 345 Y CA -2.759 55.261 58.100 -0.134 0.000 1.040 345 Y CB 1.759 40.095 38.460 -0.207 0.000 1.228 345 Y HN 0.411 nan 8.280 nan 0.000 0.451 346 P HA 0.066 nan 4.420 nan 0.000 0.271 346 P C -0.216 177.116 177.300 0.054 0.000 1.218 346 P CA -0.128 62.984 63.100 0.021 0.000 0.780 346 P CB 1.226 33.008 31.700 0.137 0.000 0.901 347 A N 3.470 126.337 122.820 0.077 0.000 2.604 347 A HA 0.182 4.502 4.320 0.000 0.000 0.248 347 A C 0.567 178.190 177.584 0.065 0.000 1.466 347 A CA -0.221 51.827 52.037 0.018 0.000 1.222 347 A CB -1.246 17.767 19.000 0.021 0.000 0.945 347 A HN 0.376 nan 8.150 nan 0.000 0.600 348 V N 1.302 121.267 119.914 0.084 0.000 2.508 348 V HA 0.045 4.165 4.120 0.000 0.000 0.281 348 V C 0.473 176.608 176.094 0.069 0.000 1.041 348 V CA -0.608 61.754 62.300 0.103 0.000 1.016 348 V CB 1.077 32.973 31.823 0.121 0.000 0.984 348 V HN 0.580 nan 8.190 nan 0.000 0.478 349 D N 8.096 128.537 120.400 0.069 0.000 2.339 349 D HA 0.118 4.758 4.640 0.000 0.000 0.256 349 D C -1.220 175.102 176.300 0.036 0.000 1.214 349 D CA -1.684 52.342 54.000 0.042 0.000 0.877 349 D CB 1.946 42.767 40.800 0.036 0.000 1.111 349 D HN 0.308 nan 8.370 nan 0.000 0.478 350 P HA -0.061 nan 4.420 nan 0.000 0.230 350 P C 1.246 178.544 177.300 -0.004 0.000 1.158 350 P CA 0.566 63.667 63.100 0.001 0.000 0.769 350 P CB 0.545 32.240 31.700 -0.007 0.000 0.807 351 L N -1.395 119.829 121.223 0.001 0.000 2.672 351 L HA 0.203 4.543 4.340 0.000 0.000 0.236 351 L C 1.461 178.326 176.870 -0.007 0.000 1.092 351 L CA 0.366 55.202 54.840 -0.006 0.000 0.887 351 L CB -0.061 41.992 42.059 -0.010 0.000 1.168 351 L HN -0.192 nan 8.230 nan 0.000 0.502 352 D N -0.518 119.880 120.400 -0.002 0.000 2.355 352 D HA 0.060 4.700 4.640 0.000 0.000 0.206 352 D C 0.744 177.043 176.300 -0.002 0.000 1.010 352 D CA 0.389 54.380 54.000 -0.016 0.000 0.875 352 D CB 0.514 41.298 40.800 -0.027 0.000 0.966 352 D HN -0.061 nan 8.370 nan 0.000 0.512 353 S N 0.201 115.922 115.700 0.035 0.000 2.565 353 S HA 0.487 4.957 4.470 0.000 0.000 0.276 353 S C 0.492 175.128 174.600 0.060 0.000 1.326 353 S CA -0.267 57.977 58.200 0.072 0.000 1.045 353 S CB 1.171 64.436 63.200 0.109 0.000 0.918 353 S HN 0.324 nan 8.310 nan 0.000 0.505 354 T N -0.655 113.943 114.554 0.073 0.000 2.754 354 T HA 0.761 5.111 4.350 0.000 0.000 0.296 354 T C -0.759 173.986 174.700 0.074 0.000 1.205 354 T CA -0.827 61.311 62.100 0.064 0.000 1.009 354 T CB 1.750 70.646 68.868 0.047 0.000 1.368 354 T HN 0.424 nan 8.240 nan 0.000 0.509 355 S N -1.646 114.093 115.700 0.065 0.000 2.536 355 S HA 0.480 4.950 4.470 0.000 0.000 0.271 355 S C 0.576 175.204 174.600 0.047 0.000 1.134 355 S CA -0.800 57.435 58.200 0.059 0.000 0.897 355 S CB 1.936 65.180 63.200 0.073 0.000 1.094 355 S HN 0.769 nan 8.310 nan 0.000 0.473 356 R N 1.794 122.314 120.500 0.034 0.000 2.075 356 R HA 0.078 4.418 4.340 0.000 0.000 0.226 356 R C 2.090 178.399 176.300 0.015 0.000 1.114 356 R CA 1.718 57.833 56.100 0.025 0.000 0.972 356 R CB -0.456 29.854 30.300 0.017 0.000 0.869 356 R HN 0.828 nan 8.270 nan 0.000 0.437 357 I N -1.335 119.241 120.570 0.010 0.000 2.850 357 I HA -0.080 4.090 4.170 0.000 0.000 0.266 357 I C 0.750 176.856 176.117 -0.018 0.000 1.257 357 I CA 0.762 62.058 61.300 -0.008 0.000 1.465 357 I CB -0.092 37.905 38.000 -0.005 0.000 1.091 357 I HN 0.045 nan 8.210 nan 0.000 0.467 358 M N 2.856 122.465 119.600 0.016 0.000 3.593 358 M HA 0.159 4.639 4.480 0.000 0.000 0.204 358 M C -0.730 175.630 176.300 0.099 0.000 1.569 358 M CA 0.630 55.958 55.300 0.047 0.000 1.694 358 M CB -1.771 30.882 32.600 0.088 0.000 1.149 358 M HN 0.332 nan 8.290 nan 0.000 0.552 359 D N 0.441 120.820 120.400 -0.035 0.000 2.738 359 D HA 0.419 5.059 4.640 0.000 0.000 0.237 359 D C -2.065 174.061 176.300 -0.289 0.000 1.123 359 D CA -1.668 52.213 54.000 -0.199 0.000 0.856 359 D CB 2.420 43.135 40.800 -0.141 0.000 1.552 359 D HN -0.006 nan 8.370 nan 0.000 0.480 360 P HA -0.134 nan 4.420 nan 0.000 0.215 360 P C 0.431 177.631 177.300 -0.168 0.000 1.163 360 P CA 1.360 64.254 63.100 -0.342 0.000 0.894 360 P CB 0.126 31.576 31.700 -0.417 0.000 0.791 361 N N -1.426 117.179 118.700 -0.159 0.000 2.503 361 N HA -0.115 4.625 4.740 0.000 0.000 0.189 361 N C 1.415 176.881 175.510 -0.073 0.000 1.048 361 N CA 0.983 53.976 53.050 -0.094 0.000 0.905 361 N CB -0.483 37.954 38.487 -0.084 0.000 0.951 361 N HN 0.271 nan 8.380 nan 0.000 0.446 362 I N -1.619 118.898 120.570 -0.087 0.000 3.443 362 I HA 0.009 4.179 4.170 0.000 0.000 0.277 362 I C 1.215 177.293 176.117 -0.065 0.000 1.169 362 I CA 0.299 61.560 61.300 -0.065 0.000 1.419 362 I CB 0.151 38.112 38.000 -0.063 0.000 1.331 362 I HN -0.030 nan 8.210 nan 0.000 0.458 363 V N -0.748 119.100 119.914 -0.110 0.000 3.444 363 V HA 0.585 4.705 4.120 0.000 0.000 0.308 363 V C 0.698 176.765 176.094 -0.046 0.000 1.371 363 V CA -0.070 62.134 62.300 -0.161 0.000 1.141 363 V CB -1.003 30.489 31.823 -0.553 0.000 1.037 363 V HN 0.488 nan 8.190 nan 0.000 0.433 364 G N 0.329 109.122 108.800 -0.012 0.000 2.764 364 G HA2 -0.185 3.775 3.960 0.000 0.000 0.686 364 G HA3 -0.185 3.775 3.960 0.000 0.000 0.686 364 G C 0.351 175.299 174.900 0.079 0.000 1.258 364 G CA 0.142 45.267 45.100 0.043 0.000 0.846 364 G HN 0.687 nan 8.290 nan 0.000 0.596 365 S N -0.094 115.648 115.700 0.069 0.000 2.359 365 S HA -0.136 4.334 4.470 0.000 0.000 0.224 365 S C 1.995 176.708 174.600 0.187 0.000 1.035 365 S CA 2.079 60.346 58.200 0.112 0.000 1.018 365 S CB -0.272 62.971 63.200 0.072 0.000 0.876 365 S HN 0.769 nan 8.310 nan 0.000 0.448 366 E N 0.067 120.358 120.200 0.152 0.000 2.021 366 E HA -0.299 4.051 4.350 0.000 0.000 0.200 366 E C 1.981 178.709 176.600 0.214 0.000 1.015 366 E CA 1.857 58.350 56.400 0.156 0.000 0.824 366 E CB -0.590 29.185 29.700 0.125 0.000 0.762 366 E HN 0.839 nan 8.360 nan 0.000 0.454 367 H N -1.396 117.737 119.070 0.105 0.000 2.357 367 H HA -0.242 4.314 4.556 0.000 0.000 0.296 367 H C 2.216 177.613 175.328 0.116 0.000 1.108 367 H CA 1.815 57.922 56.048 0.098 0.000 1.273 367 H CB -0.182 29.634 29.762 0.090 0.000 1.367 367 H HN 0.287 nan 8.280 nan 0.000 0.498 368 Y N 1.909 122.304 120.300 0.158 0.000 2.070 368 Y HA -0.257 4.293 4.550 0.000 0.000 0.280 368 Y C 2.163 178.113 175.900 0.084 0.000 1.148 368 Y CA 2.074 60.214 58.100 0.068 0.000 1.125 368 Y CB -0.517 37.948 38.460 0.008 0.000 0.975 368 Y HN 0.336 nan 8.280 nan 0.000 0.492 369 D N -0.575 119.873 120.400 0.080 0.000 2.221 369 D HA -0.163 4.477 4.640 0.000 0.000 0.204 369 D C 2.317 178.596 176.300 -0.036 0.000 0.982 369 D CA 1.494 55.477 54.000 -0.028 0.000 0.857 369 D CB -0.236 40.611 40.800 0.079 0.000 0.934 369 D HN 0.350 nan 8.370 nan 0.000 0.475 370 V N 1.528 121.460 119.914 0.029 0.000 2.302 370 V HA -0.149 3.971 4.120 0.000 0.000 0.243 370 V C 2.661 178.740 176.094 -0.025 0.000 1.036 370 V CA 1.572 63.893 62.300 0.034 0.000 1.020 370 V CB -0.843 31.023 31.823 0.071 0.000 0.657 370 V HN 0.160 nan 8.190 nan 0.000 0.453 371 A N -0.023 122.784 122.820 -0.022 0.000 1.908 371 A HA -0.233 4.087 4.320 0.000 0.000 0.218 371 A C 2.348 179.849 177.584 -0.137 0.000 1.181 371 A CA 1.705 53.699 52.037 -0.072 0.000 0.627 371 A CB -0.485 18.524 19.000 0.017 0.000 0.818 371 A HN 0.376 nan 8.150 nan 0.000 0.445 372 R N -0.762 119.601 120.500 -0.228 0.000 2.075 372 R HA -0.096 4.244 4.340 0.000 0.000 0.232 372 R C 2.431 178.655 176.300 -0.127 0.000 1.126 372 R CA 1.352 57.303 56.100 -0.247 0.000 0.963 372 R CB -1.502 28.547 30.300 -0.418 0.000 0.858 372 R HN 0.539 nan 8.270 nan 0.000 0.435 373 G N 0.279 109.027 108.800 -0.087 0.000 2.440 373 G HA2 -0.203 3.757 3.960 0.000 0.000 0.218 373 G HA3 -0.203 3.757 3.960 0.000 0.000 0.218 373 G C 1.565 176.455 174.900 -0.017 0.000 1.154 373 G CA 0.809 45.891 45.100 -0.031 0.000 0.767 373 G HN 0.188 nan 8.290 nan 0.000 0.552 374 V N 0.480 120.375 119.914 -0.031 0.000 2.427 374 V HA -0.218 3.902 4.120 0.000 0.000 0.248 374 V C 2.902 178.975 176.094 -0.035 0.000 1.051 374 V CA 2.137 64.418 62.300 -0.031 0.000 1.048 374 V CB -0.464 31.281 31.823 -0.130 0.000 0.666 374 V HN 0.448 nan 8.190 nan 0.000 0.456 375 Q N -0.215 119.551 119.800 -0.056 0.000 2.119 375 Q HA -0.237 4.103 4.340 0.000 0.000 0.201 375 Q C 2.327 178.315 176.000 -0.019 0.000 0.972 375 Q CA 1.645 57.423 55.803 -0.042 0.000 0.847 375 Q CB -0.184 28.519 28.738 -0.058 0.000 0.903 375 Q HN 0.571 nan 8.270 nan 0.000 0.433 376 K N 0.814 121.201 120.400 -0.021 0.000 2.228 376 K HA -0.045 4.275 4.320 0.000 0.000 0.202 376 K C 1.885 178.496 176.600 0.018 0.000 1.051 376 K CA 0.435 56.719 56.287 -0.005 0.000 0.960 376 K CB 0.076 32.569 32.500 -0.011 0.000 0.743 376 K HN 0.176 nan 8.250 nan 0.000 0.458 377 I N 0.788 121.374 120.570 0.026 0.000 2.500 377 I HA -0.195 3.975 4.170 0.000 0.000 0.252 377 I C 1.628 177.799 176.117 0.090 0.000 1.142 377 I CA 0.739 62.068 61.300 0.048 0.000 1.451 377 I CB 0.173 38.196 38.000 0.038 0.000 1.093 377 I HN 0.195 nan 8.210 nan 0.000 0.430 378 L N 0.077 121.349 121.223 0.082 0.000 2.056 378 L HA -0.204 4.136 4.340 0.000 0.000 0.207 378 L C 2.541 179.461 176.870 0.084 0.000 1.078 378 L CA 1.243 56.155 54.840 0.120 0.000 0.749 378 L CB -0.604 41.499 42.059 0.073 0.000 0.901 378 L HN 0.272 nan 8.230 nan 0.000 0.433 379 Q N -0.178 119.646 119.800 0.041 0.000 2.124 379 Q HA -0.204 4.137 4.340 0.000 0.000 0.202 379 Q C 1.724 177.739 176.000 0.025 0.000 0.977 379 Q CA 1.440 57.253 55.803 0.016 0.000 0.850 379 Q CB -0.058 28.682 28.738 0.004 0.000 0.901 379 Q HN 0.511 nan 8.270 nan 0.000 0.429 380 D N -0.271 120.161 120.400 0.054 0.000 2.117 380 D HA -0.153 4.487 4.640 0.000 0.000 0.198 380 D C 1.659 178.022 176.300 0.106 0.000 0.982 380 D CA 0.928 54.966 54.000 0.063 0.000 0.828 380 D CB -0.199 40.639 40.800 0.062 0.000 0.967 380 D HN 0.246 nan 8.370 nan 0.000 0.464 381 Y N 1.955 122.251 120.300 -0.007 0.000 2.314 381 Y HA -0.068 4.482 4.550 0.000 0.000 0.293 381 Y C 2.084 177.979 175.900 -0.008 0.000 1.129 381 Y CA 1.115 59.211 58.100 -0.007 0.000 1.201 381 Y CB -0.101 38.355 38.460 -0.006 0.000 0.999 381 Y HN -0.204 nan 8.280 nan 0.000 0.541 382 K N -0.539 119.744 120.400 -0.195 0.000 2.211 382 K HA -0.094 4.226 4.320 0.000 0.000 0.203 382 K C 2.035 178.527 176.600 -0.181 0.000 1.050 382 K CA 1.273 57.394 56.287 -0.276 0.000 0.945 382 K CB 0.028 32.442 32.500 -0.143 0.000 0.732 382 K HN 0.284 nan 8.250 nan 0.000 0.451 383 S N 1.176 116.819 115.700 -0.095 0.000 2.336 383 S HA -0.028 4.442 4.470 0.000 0.000 0.216 383 S C 1.764 176.330 174.600 -0.056 0.000 1.032 383 S CA 0.846 59.011 58.200 -0.059 0.000 0.973 383 S CB -0.280 62.906 63.200 -0.023 0.000 0.888 383 S HN 0.240 nan 8.310 nan 0.000 0.455 384 L N 1.948 123.156 121.223 -0.026 0.000 2.123 384 L HA -0.318 4.022 4.340 0.000 0.000 0.217 384 L C 2.748 179.604 176.870 -0.024 0.000 1.081 384 L CA 1.592 56.436 54.840 0.006 0.000 0.772 384 L CB -0.847 41.263 42.059 0.085 0.000 0.890 384 L HN 0.449 nan 8.230 nan 0.000 0.437 385 Q N 0.218 119.959 119.800 -0.099 0.000 2.207 385 Q HA -0.314 4.026 4.340 0.000 0.000 0.215 385 Q C 1.721 177.690 176.000 -0.052 0.000 1.006 385 Q CA 2.393 58.132 55.803 -0.106 0.000 0.903 385 Q CB -0.069 28.565 28.738 -0.172 0.000 0.947 385 Q HN 0.594 nan 8.270 nan 0.000 0.414 386 D N -0.245 120.128 120.400 -0.045 0.000 2.106 386 D HA -0.185 4.455 4.640 0.000 0.000 0.194 386 D C 1.994 178.286 176.300 -0.014 0.000 0.988 386 D CA 1.612 55.596 54.000 -0.028 0.000 0.845 386 D CB -0.377 40.408 40.800 -0.025 0.000 0.990 386 D HN 0.252 nan 8.370 nan 0.000 0.448 387 I N 1.819 122.384 120.570 -0.007 0.000 2.113 387 I HA -0.293 3.878 4.170 0.000 0.000 0.242 387 I C 2.448 178.570 176.117 0.008 0.000 1.064 387 I CA 0.903 62.205 61.300 0.002 0.000 1.320 387 I CB -0.613 37.391 38.000 0.008 0.000 1.028 387 I HN 0.089 nan 8.210 nan 0.000 0.406 388 I N 0.630 121.209 120.570 0.015 0.000 2.113 388 I HA -0.376 3.794 4.170 0.000 0.000 0.242 388 I C 2.626 178.752 176.117 0.015 0.000 1.057 388 I CA 2.177 63.492 61.300 0.025 0.000 1.314 388 I CB -1.907 36.119 38.000 0.045 0.000 1.022 388 I HN 0.304 nan 8.210 nan 0.000 0.408 389 A N 0.777 123.601 122.820 0.006 0.000 1.854 389 A HA -0.081 4.239 4.320 0.000 0.000 0.214 389 A C 2.240 179.824 177.584 0.001 0.000 1.192 389 A CA 1.082 53.120 52.037 0.001 0.000 0.611 389 A CB -0.420 18.576 19.000 -0.007 0.000 0.832 389 A HN 0.234 nan 8.150 nan 0.000 0.442 390 I N 0.037 120.606 120.570 -0.002 0.000 2.186 390 I HA -0.098 4.072 4.170 0.000 0.000 0.228 390 I C 2.276 178.394 176.117 0.001 0.000 1.062 390 I CA 0.971 62.270 61.300 -0.001 0.000 1.347 390 I CB -1.652 36.345 38.000 -0.004 0.000 1.122 390 I HN 0.219 nan 8.210 nan 0.000 0.402 391 L N 1.036 122.260 121.223 0.002 0.000 2.661 391 L HA -0.045 4.295 4.340 0.000 0.000 0.236 391 L C 0.810 177.684 176.870 0.006 0.000 1.176 391 L CA 0.548 55.390 54.840 0.004 0.000 0.836 391 L CB -1.502 40.560 42.059 0.004 0.000 0.960 391 L HN 0.636 nan 8.230 nan 0.000 0.455 392 G N 0.568 109.373 108.800 0.007 0.000 2.977 392 G HA2 -0.320 3.640 3.960 0.000 0.000 0.686 392 G HA3 -0.320 3.640 3.960 0.000 0.000 0.686 392 G C -0.198 174.710 174.900 0.013 0.000 1.088 392 G CA -0.163 44.943 45.100 0.009 0.000 0.845 392 G HN 0.205 nan 8.290 nan 0.000 0.565 393 M N 1.397 121.007 119.600 0.017 0.000 3.742 393 M HA 0.320 4.800 4.480 0.000 0.000 0.197 393 M C 0.486 176.795 176.300 0.016 0.000 1.417 393 M CA 0.553 55.865 55.300 0.021 0.000 1.653 393 M CB -0.434 32.183 32.600 0.029 0.000 1.079 393 M HN 0.527 nan 8.290 nan 0.000 0.558 394 D N -0.975 119.433 120.400 0.013 0.000 2.415 394 D HA 0.032 4.672 4.640 0.000 0.000 0.269 394 D C 0.442 176.748 176.300 0.010 0.000 1.099 394 D CA -0.038 53.968 54.000 0.010 0.000 0.865 394 D CB 0.471 41.276 40.800 0.008 0.000 1.359 394 D HN 0.264 nan 8.370 nan 0.000 0.506 395 E N 1.162 121.368 120.200 0.010 0.000 2.411 395 E HA 0.200 4.550 4.350 0.000 0.000 0.228 395 E C -0.708 175.899 176.600 0.011 0.000 1.169 395 E CA -0.131 56.275 56.400 0.009 0.000 1.421 395 E CB 0.036 29.741 29.700 0.008 0.000 1.333 395 E HN 0.353 nan 8.360 nan 0.000 0.434 396 L N 1.714 122.944 121.223 0.013 0.000 2.257 396 L HA 0.244 4.584 4.340 0.000 0.000 0.290 396 L C 1.016 177.893 176.870 0.011 0.000 1.044 396 L CA -0.624 54.225 54.840 0.015 0.000 0.810 396 L CB 1.025 43.095 42.059 0.018 0.000 1.193 396 L HN 0.044 nan 8.230 nan 0.000 0.425 397 S N 1.389 117.095 115.700 0.011 0.000 2.580 397 S HA -0.001 4.469 4.470 0.000 0.000 0.261 397 S C 0.989 175.593 174.600 0.008 0.000 1.366 397 S CA -0.329 57.876 58.200 0.009 0.000 0.996 397 S CB 0.800 64.005 63.200 0.009 0.000 0.902 397 S HN 0.709 nan 8.310 nan 0.000 0.566 398 E N 1.045 121.249 120.200 0.006 0.000 2.070 398 E HA -0.224 4.126 4.350 0.000 0.000 0.197 398 E C 1.992 178.595 176.600 0.005 0.000 1.004 398 E CA 1.882 58.285 56.400 0.005 0.000 0.805 398 E CB -0.285 29.418 29.700 0.005 0.000 0.744 398 E HN 0.796 nan 8.360 nan 0.000 0.451 399 E N 0.488 120.692 120.200 0.007 0.000 2.338 399 E HA -0.150 4.200 4.350 0.000 0.000 0.197 399 E C 1.178 177.784 176.600 0.010 0.000 1.007 399 E CA 0.782 57.187 56.400 0.008 0.000 0.849 399 E CB 0.066 29.771 29.700 0.009 0.000 0.774 399 E HN 0.283 nan 8.360 nan 0.000 0.506 400 D N 0.465 120.872 120.400 0.012 0.000 2.271 400 D HA -0.017 4.623 4.640 0.000 0.000 0.206 400 D C 1.499 177.807 176.300 0.013 0.000 0.967 400 D CA 0.650 54.660 54.000 0.018 0.000 0.867 400 D CB 0.096 40.909 40.800 0.021 0.000 0.960 400 D HN 0.075 nan 8.370 nan 0.000 0.509 401 K N 0.068 120.471 120.400 0.005 0.000 2.243 401 K HA 0.041 4.361 4.320 0.000 0.000 0.201 401 K C 1.710 178.299 176.600 -0.019 0.000 1.051 401 K CA 0.258 56.543 56.287 -0.003 0.000 0.970 401 K CB 0.292 32.792 32.500 0.000 0.000 0.755 401 K HN 0.009 nan 8.250 nan 0.000 0.465 402 L N 1.086 122.299 121.223 -0.016 0.000 2.095 402 L HA -0.137 4.203 4.340 0.000 0.000 0.204 402 L C 2.641 179.483 176.870 -0.047 0.000 1.080 402 L CA 1.808 56.633 54.840 -0.025 0.000 0.759 402 L CB -1.121 40.931 42.059 -0.011 0.000 0.914 402 L HN 0.299 nan 8.230 nan 0.000 0.439 403 T N -3.108 111.427 114.554 -0.031 0.000 2.580 403 T HA -0.247 4.103 4.350 0.000 0.000 0.265 403 T C 1.892 176.520 174.700 -0.119 0.000 1.063 403 T CA 1.869 63.946 62.100 -0.037 0.000 1.170 403 T CB -1.205 67.671 68.868 0.013 0.000 0.863 403 T HN 0.054 nan 8.240 nan 0.000 0.418 404 V N 2.887 122.728 119.914 -0.122 0.000 2.282 404 V HA -0.236 3.884 4.120 0.000 0.000 0.249 404 V C 3.223 179.076 176.094 -0.402 0.000 1.057 404 V CA 2.366 64.477 62.300 -0.315 0.000 1.032 404 V CB -1.377 30.387 31.823 -0.100 0.000 0.645 404 V HN 0.845 nan 8.190 nan 0.000 0.447 405 S N 0.806 116.379 115.700 -0.211 0.000 2.344 405 S HA -0.245 4.225 4.470 0.000 0.000 0.217 405 S C 2.023 176.496 174.600 -0.211 0.000 1.033 405 S CA 1.455 59.548 58.200 -0.179 0.000 1.017 405 S CB -0.620 62.523 63.200 -0.094 0.000 0.941 405 S HN 0.535 nan 8.310 nan 0.000 0.430 406 R N 2.014 122.414 120.500 -0.165 0.000 2.094 406 R HA -0.081 4.259 4.340 0.000 0.000 0.239 406 R C 2.798 178.986 176.300 -0.188 0.000 1.137 406 R CA 1.454 57.457 56.100 -0.162 0.000 0.943 406 R CB -1.115 29.133 30.300 -0.087 0.000 0.850 406 R HN 0.574 nan 8.270 nan 0.000 0.433 407 A N 1.471 124.167 122.820 -0.206 0.000 1.917 407 A HA -0.236 4.084 4.320 0.000 0.000 0.219 407 A C 2.122 179.574 177.584 -0.221 0.000 1.182 407 A CA 1.656 53.576 52.037 -0.195 0.000 0.633 407 A CB -0.497 18.329 19.000 -0.289 0.000 0.819 407 A HN 0.286 nan 8.150 nan 0.000 0.448 408 R N -0.435 119.852 120.500 -0.355 0.000 2.092 408 R HA -0.097 4.243 4.340 0.000 0.000 0.231 408 R C 2.193 178.395 176.300 -0.164 0.000 1.119 408 R CA 1.518 57.478 56.100 -0.234 0.000 0.970 408 R CB -0.306 29.849 30.300 -0.243 0.000 0.864 408 R HN 0.550 nan 8.270 nan 0.000 0.440 409 K N 0.603 120.831 120.400 -0.287 0.000 2.025 409 K HA -0.076 4.244 4.320 0.000 0.000 0.207 409 K C 2.161 178.548 176.600 -0.355 0.000 1.049 409 K CA 1.178 57.123 56.287 -0.570 0.000 0.933 409 K CB -0.150 31.715 32.500 -1.057 0.000 0.714 409 K HN 0.112 nan 8.250 nan 0.000 0.438 410 I N 1.512 121.994 120.570 -0.146 0.000 2.058 410 I HA -0.381 3.789 4.170 0.000 0.000 0.235 410 I C 2.911 179.189 176.117 0.269 0.000 1.053 410 I CA 1.524 62.934 61.300 0.185 0.000 1.313 410 I CB -0.487 37.641 38.000 0.214 0.000 1.039 410 I HN 0.309 nan 8.210 nan 0.000 0.396 411 Q N 1.172 121.060 119.800 0.146 0.000 2.182 411 Q HA -0.297 4.043 4.340 0.000 0.000 0.213 411 Q C 2.234 178.341 176.000 0.179 0.000 1.000 411 Q CA 2.147 58.039 55.803 0.148 0.000 0.889 411 Q CB -0.107 28.702 28.738 0.118 0.000 0.932 411 Q HN 0.464 nan 8.270 nan 0.000 0.415 412 R N -1.011 119.597 120.500 0.181 0.000 2.127 412 R HA -0.034 4.306 4.340 0.000 0.000 0.217 412 R C 2.136 178.656 176.300 0.367 0.000 1.074 412 R CA 0.757 57.017 56.100 0.266 0.000 0.991 412 R CB -0.279 30.169 30.300 0.247 0.000 0.895 412 R HN 0.267 nan 8.270 nan 0.000 0.450 413 F N 1.827 121.860 119.950 0.139 0.000 2.494 413 F HA -0.021 4.506 4.527 0.000 0.000 0.298 413 F C 1.488 177.434 175.800 0.243 0.000 1.106 413 F CA 0.779 58.838 58.000 0.098 0.000 1.452 413 F CB -0.151 38.736 39.000 -0.189 0.000 1.085 413 F HN -0.073 nan 8.300 nan 0.000 0.569 414 L N -0.197 121.246 121.223 0.366 0.000 2.552 414 L HA -0.003 4.337 4.340 0.000 0.000 0.227 414 L C 1.189 178.138 176.870 0.132 0.000 1.146 414 L CA 0.326 55.308 54.840 0.236 0.000 0.858 414 L CB -0.728 41.430 42.059 0.164 0.000 0.969 414 L HN 0.112 nan 8.230 nan 0.000 0.451 415 S N -0.488 115.301 115.700 0.148 0.000 2.586 415 S HA 0.420 4.890 4.470 0.000 0.000 0.274 415 S C -0.416 174.193 174.600 0.016 0.000 1.281 415 S CA -0.554 57.687 58.200 0.068 0.000 1.035 415 S CB 2.211 65.463 63.200 0.086 0.000 0.962 415 S HN 0.235 nan 8.310 nan 0.000 0.512 416 Q N 1.378 121.146 119.800 -0.054 0.000 2.284 416 Q HA 0.415 4.755 4.340 0.000 0.000 0.269 416 Q C -3.028 172.894 176.000 -0.131 0.000 1.026 416 Q CA -2.147 53.640 55.803 -0.028 0.000 0.831 416 Q CB 2.600 31.402 28.738 0.108 0.000 1.322 416 Q HN 0.559 nan 8.270 nan 0.000 0.419 417 P HA 0.159 nan 4.420 nan 0.000 0.287 417 P C -0.883 176.527 177.300 0.183 0.000 1.307 417 P CA 0.128 63.205 63.100 -0.039 0.000 0.777 417 P CB 0.129 31.814 31.700 -0.024 0.000 0.883 418 F N 1.956 121.908 119.950 0.003 0.000 2.399 418 F HA 0.123 4.650 4.527 0.000 0.000 0.342 418 F C 2.170 177.980 175.800 0.016 0.000 1.106 418 F CA -0.720 57.286 58.000 0.010 0.000 1.196 418 F CB 1.109 40.114 39.000 0.009 0.000 1.163 418 F HN 0.337 nan 8.300 nan 0.000 0.547 419 Q N 1.343 121.254 119.800 0.185 0.000 2.226 419 Q HA -0.105 4.235 4.340 0.000 0.000 0.204 419 Q C 1.709 177.765 176.000 0.093 0.000 0.975 419 Q CA 0.919 56.780 55.803 0.096 0.000 0.866 419 Q CB -0.089 28.670 28.738 0.035 0.000 0.915 419 Q HN 0.546 nan 8.270 nan 0.000 0.440 420 V N 0.061 120.043 119.914 0.113 0.000 3.573 420 V HA 0.012 4.132 4.120 0.000 0.000 0.270 420 V C 1.608 177.799 176.094 0.161 0.000 1.221 420 V CA 1.135 63.498 62.300 0.105 0.000 1.163 420 V CB -0.168 31.694 31.823 0.066 0.000 0.847 420 V HN 0.301 nan 8.190 nan 0.000 0.468 421 A N -0.479 122.451 122.820 0.183 0.000 2.169 421 A HA 0.048 4.368 4.320 0.000 0.000 0.210 421 A C 1.992 179.690 177.584 0.190 0.000 1.168 421 A CA 0.324 52.467 52.037 0.177 0.000 0.813 421 A CB -0.129 18.931 19.000 0.100 0.000 0.861 421 A HN 0.491 nan 8.150 nan 0.000 0.481 422 E N 0.252 120.534 120.200 0.137 0.000 2.108 422 E HA -0.235 4.115 4.350 0.000 0.000 0.203 422 E C 1.835 178.466 176.600 0.052 0.000 1.022 422 E CA 1.782 58.236 56.400 0.090 0.000 0.823 422 E CB -0.522 29.208 29.700 0.050 0.000 0.744 422 E HN 0.418 nan 8.360 nan 0.000 0.456 423 V N 0.159 120.097 119.914 0.040 0.000 2.370 423 V HA -0.275 3.845 4.120 0.000 0.000 0.252 423 V C 1.700 177.561 176.094 -0.389 0.000 1.068 423 V CA 1.992 64.188 62.300 -0.174 0.000 1.061 423 V CB -0.511 31.204 31.823 -0.179 0.000 0.656 423 V HN 0.204 nan 8.190 nan 0.000 0.455 424 F N -0.602 119.349 119.950 0.002 0.000 2.577 424 F HA 0.063 4.590 4.527 0.000 0.000 0.276 424 F C 2.573 178.384 175.800 0.018 0.000 1.032 424 F CA 0.866 58.866 58.000 0.000 0.000 1.297 424 F CB -1.163 37.827 39.000 -0.016 0.000 1.061 424 F HN 0.105 nan 8.300 nan 0.000 0.680 425 T N -1.942 112.752 114.554 0.234 0.000 2.929 425 T HA 0.077 4.427 4.350 0.000 0.000 0.271 425 T C 1.889 176.766 174.700 0.295 0.000 1.085 425 T CA 0.997 63.209 62.100 0.187 0.000 1.125 425 T CB -0.959 67.977 68.868 0.113 0.000 0.874 425 T HN 0.584 nan 8.240 nan 0.000 0.494 426 G N 1.148 110.046 108.800 0.163 0.000 2.198 426 G HA2 -0.224 3.736 3.960 0.000 0.000 0.260 426 G HA3 -0.224 3.736 3.960 0.000 0.000 0.260 426 G C -0.271 174.570 174.900 -0.098 0.000 1.025 426 G CA 0.383 45.506 45.100 0.039 0.000 0.769 426 G HN 0.856 nan 8.290 nan 0.000 0.507 427 H N -1.783 117.290 119.070 0.004 0.000 2.782 427 H HA 0.501 5.057 4.556 0.000 0.000 0.347 427 H C 0.085 175.417 175.328 0.006 0.000 1.038 427 H CA -0.980 55.068 56.048 -0.001 0.000 1.255 427 H CB 1.502 31.258 29.762 -0.011 0.000 1.623 427 H HN 0.252 nan 8.280 nan 0.000 0.525 428 L N 2.897 124.160 121.223 0.067 0.000 2.628 428 L HA 0.180 4.520 4.340 0.000 0.000 0.274 428 L C 0.882 177.798 176.870 0.078 0.000 1.209 428 L CA 0.589 55.459 54.840 0.050 0.000 0.930 428 L CB -0.291 41.780 42.059 0.021 0.000 1.183 428 L HN 0.842 nan 8.230 nan 0.000 0.492 429 G N 4.708 113.556 108.800 0.080 0.000 2.594 429 G HA2 0.274 4.234 3.960 0.000 0.000 0.243 429 G HA3 0.274 4.234 3.960 0.000 0.000 0.243 429 G C -0.471 174.477 174.900 0.080 0.000 1.229 429 G CA -0.603 44.560 45.100 0.104 0.000 0.843 429 G HN 0.585 nan 8.290 nan 0.000 0.578 430 K N 0.030 120.491 120.400 0.101 0.000 2.371 430 K HA 0.425 4.746 4.320 0.000 0.000 0.251 430 K C -1.328 175.310 176.600 0.064 0.000 0.934 430 K CA -1.020 55.310 56.287 0.072 0.000 0.798 430 K CB 2.379 34.922 32.500 0.071 0.000 1.204 430 K HN 0.291 nan 8.250 nan 0.000 0.427 431 L N 3.145 124.384 121.223 0.028 0.000 2.384 431 L HA 0.291 4.631 4.340 0.000 0.000 0.261 431 L C -1.238 175.635 176.870 0.004 0.000 1.024 431 L CA -0.729 54.113 54.840 0.003 0.000 0.899 431 L CB 1.137 43.179 42.059 -0.028 0.000 1.243 431 L HN 0.280 nan 8.230 nan 0.000 0.449 432 V N 6.624 126.547 119.914 0.015 0.000 2.470 432 V HA 0.344 4.464 4.120 0.000 0.000 0.276 432 V C -1.862 174.237 176.094 0.007 0.000 1.040 432 V CA -1.146 61.163 62.300 0.016 0.000 1.008 432 V CB 0.530 32.364 31.823 0.018 0.000 0.990 432 V HN 0.641 nan 8.190 nan 0.000 0.477 433 P HA 0.137 nan 4.420 nan 0.000 0.275 433 P C 0.721 178.030 177.300 0.015 0.000 1.228 433 P CA -0.510 62.596 63.100 0.011 0.000 0.786 433 P CB 0.785 32.492 31.700 0.011 0.000 0.927 434 L N 3.834 125.067 121.223 0.017 0.000 2.089 434 L HA -0.245 4.095 4.340 0.000 0.000 0.213 434 L C 1.781 178.647 176.870 -0.007 0.000 1.079 434 L CA 2.048 56.887 54.840 -0.003 0.000 0.758 434 L CB -0.879 41.193 42.059 0.021 0.000 0.891 434 L HN 0.288 nan 8.230 nan 0.000 0.433 435 K N -0.815 119.596 120.400 0.019 0.000 2.009 435 K HA -0.186 4.134 4.320 0.000 0.000 0.210 435 K C 2.046 178.673 176.600 0.045 0.000 1.049 435 K CA 1.571 57.877 56.287 0.031 0.000 0.929 435 K CB -0.279 32.244 32.500 0.037 0.000 0.714 435 K HN 0.306 nan 8.250 nan 0.000 0.440 436 E N 0.382 120.611 120.200 0.049 0.000 2.085 436 E HA -0.132 4.218 4.350 0.000 0.000 0.194 436 E C 2.107 178.767 176.600 0.101 0.000 0.994 436 E CA 1.381 57.826 56.400 0.074 0.000 0.801 436 E CB -0.332 29.407 29.700 0.065 0.000 0.743 436 E HN 0.309 nan 8.360 nan 0.000 0.453 437 T N 1.982 116.581 114.554 0.075 0.000 2.708 437 T HA -0.099 4.251 4.350 0.000 0.000 0.266 437 T C 2.011 176.845 174.700 0.223 0.000 1.037 437 T CA 0.896 63.069 62.100 0.123 0.000 1.146 437 T CB -0.080 68.824 68.868 0.060 0.000 0.865 437 T HN 0.069 nan 8.240 nan 0.000 0.435 438 I N 1.526 122.147 120.570 0.084 0.000 2.127 438 I HA -0.185 3.985 4.170 0.000 0.000 0.241 438 I C 2.339 178.553 176.117 0.162 0.000 1.075 438 I CA 1.734 63.075 61.300 0.069 0.000 1.334 438 I CB -0.928 37.061 38.000 -0.017 0.000 1.040 438 I HN 0.310 nan 8.210 nan 0.000 0.405 439 K N 0.730 121.215 120.400 0.142 0.000 2.057 439 K HA -0.089 4.231 4.320 0.000 0.000 0.206 439 K C 2.230 178.959 176.600 0.214 0.000 1.050 439 K CA 1.298 57.678 56.287 0.156 0.000 0.935 439 K CB -0.562 32.013 32.500 0.126 0.000 0.715 439 K HN 0.441 nan 8.250 nan 0.000 0.439 440 G N 1.175 110.119 108.800 0.240 0.000 2.545 440 G HA2 -0.260 3.700 3.960 0.000 0.000 0.217 440 G HA3 -0.260 3.700 3.960 0.000 0.000 0.217 440 G C 1.251 176.318 174.900 0.278 0.000 1.218 440 G CA 0.998 46.275 45.100 0.295 0.000 0.787 440 G HN 0.175 nan 8.290 nan 0.000 0.571 441 F N 0.933 121.086 119.950 0.338 0.000 2.293 441 F HA 0.015 4.542 4.527 0.000 0.000 0.300 441 F C 2.861 178.753 175.800 0.155 0.000 1.086 441 F CA 1.377 59.523 58.000 0.243 0.000 1.375 441 F CB -0.277 38.797 39.000 0.123 0.000 1.045 441 F HN 0.223 nan 8.300 nan 0.000 0.516 442 Q N 0.542 120.522 119.800 0.300 0.000 2.061 442 Q HA -0.269 4.072 4.340 0.000 0.000 0.204 442 Q C 2.049 178.144 176.000 0.160 0.000 0.984 442 Q CA 2.016 57.933 55.803 0.191 0.000 0.846 442 Q CB -0.105 28.722 28.738 0.149 0.000 0.902 442 Q HN 0.510 nan 8.270 nan 0.000 0.421 443 Q N -0.088 119.821 119.800 0.183 0.000 1.990 443 Q HA -0.142 4.198 4.340 0.000 0.000 0.200 443 Q C 2.205 178.295 176.000 0.149 0.000 0.980 443 Q CA 1.298 57.186 55.803 0.142 0.000 0.832 443 Q CB -0.089 28.772 28.738 0.206 0.000 0.897 443 Q HN 0.420 nan 8.270 nan 0.000 0.427 444 I N 1.234 121.942 120.570 0.229 0.000 2.181 444 I HA -0.318 3.852 4.170 0.000 0.000 0.247 444 I C 2.270 178.439 176.117 0.086 0.000 1.081 444 I CA 1.652 63.040 61.300 0.147 0.000 1.340 444 I CB -1.272 36.750 38.000 0.037 0.000 1.036 444 I HN 0.286 nan 8.210 nan 0.000 0.417 445 L N 0.251 121.540 121.223 0.109 0.000 2.141 445 L HA -0.142 4.198 4.340 0.000 0.000 0.209 445 L C 2.751 179.650 176.870 0.049 0.000 1.094 445 L CA 1.127 56.014 54.840 0.078 0.000 0.763 445 L CB -0.615 41.501 42.059 0.094 0.000 0.908 445 L HN 0.209 nan 8.230 nan 0.000 0.437 446 A N -0.490 122.358 122.820 0.047 0.000 1.897 446 A HA 0.109 4.429 4.320 0.000 0.000 0.215 446 A C 1.928 179.517 177.584 0.008 0.000 1.181 446 A CA 1.600 53.649 52.037 0.020 0.000 0.620 446 A CB -0.449 18.555 19.000 0.006 0.000 0.821 446 A HN 0.514 nan 8.150 nan 0.000 0.443 447 G N -1.582 107.224 108.800 0.011 0.000 2.205 447 G HA2 -0.177 3.783 3.960 0.000 0.000 0.180 447 G HA3 -0.177 3.783 3.960 0.000 0.000 0.180 447 G C 0.530 175.434 174.900 0.006 0.000 1.004 447 G CA 0.566 45.676 45.100 0.017 0.000 0.670 447 G HN 0.464 nan 8.290 nan 0.000 0.496 448 E N -0.661 119.490 120.200 -0.081 0.000 2.219 448 E HA -0.124 4.226 4.350 0.000 0.000 0.198 448 E C 0.651 177.127 176.600 -0.207 0.000 0.998 448 E CA 1.212 57.477 56.400 -0.226 0.000 0.818 448 E CB -0.136 29.287 29.700 -0.460 0.000 0.741 448 E HN 0.748 nan 8.360 nan 0.000 0.477 449 Y N 0.081 120.454 120.300 0.121 0.000 2.781 449 Y HA 0.130 4.680 4.550 0.000 0.000 0.326 449 Y C 0.614 176.547 175.900 0.056 0.000 1.019 449 Y CA -0.695 57.446 58.100 0.069 0.000 1.372 449 Y CB 0.593 39.116 38.460 0.105 0.000 1.260 449 Y HN -0.092 nan 8.280 nan 0.000 0.546 450 D N -0.714 119.816 120.400 0.216 0.000 2.323 450 D HA -0.090 4.550 4.640 0.000 0.000 0.209 450 D C 1.334 177.717 176.300 0.138 0.000 0.973 450 D CA 0.831 54.916 54.000 0.140 0.000 0.874 450 D CB -0.028 40.832 40.800 0.101 0.000 0.930 450 D HN 0.575 nan 8.370 nan 0.000 0.521 451 H N 0.230 119.355 119.070 0.091 0.000 2.813 451 H HA 0.369 4.925 4.556 0.000 0.000 0.312 451 H C -0.087 175.287 175.328 0.077 0.000 1.228 451 H CA -0.057 56.030 56.048 0.064 0.000 1.154 451 H CB -0.774 29.012 29.762 0.040 0.000 1.418 451 H HN 0.051 nan 8.280 nan 0.000 0.525 452 L N 1.397 122.555 121.223 -0.109 0.000 2.424 452 L HA 0.428 4.768 4.340 0.000 0.000 0.258 452 L C -2.446 174.445 176.870 0.036 0.000 0.995 452 L CA -2.225 52.547 54.840 -0.113 0.000 0.821 452 L CB 3.104 45.027 42.059 -0.227 0.000 1.383 452 L HN 0.110 nan 8.230 nan 0.000 0.410 453 P HA 0.197 nan 4.420 nan 0.000 0.278 453 P C -0.144 177.234 177.300 0.131 0.000 1.238 453 P CA -0.364 62.761 63.100 0.042 0.000 0.794 453 P CB 1.360 33.058 31.700 -0.004 0.000 0.955 454 E N 0.833 121.118 120.200 0.142 0.000 2.048 454 E HA -0.248 4.102 4.350 0.000 0.000 0.202 454 E C 1.782 178.521 176.600 0.231 0.000 1.021 454 E CA 1.364 57.884 56.400 0.200 0.000 0.825 454 E CB -0.230 29.509 29.700 0.064 0.000 0.756 454 E HN 0.480 nan 8.360 nan 0.000 0.454 455 Q N -0.281 119.582 119.800 0.106 0.000 2.458 455 Q HA -0.168 4.172 4.340 0.000 0.000 0.215 455 Q C 1.929 177.978 176.000 0.082 0.000 0.989 455 Q CA 1.115 56.985 55.803 0.112 0.000 0.895 455 Q CB -0.313 28.459 28.738 0.058 0.000 0.934 455 Q HN 0.315 nan 8.270 nan 0.000 0.475 456 A N -0.451 122.343 122.820 -0.045 0.000 1.969 456 A HA -0.102 4.218 4.320 0.000 0.000 0.218 456 A C 1.531 178.865 177.584 -0.417 0.000 1.169 456 A CA 0.935 52.782 52.037 -0.316 0.000 0.635 456 A CB -0.457 18.184 19.000 -0.598 0.000 0.810 456 A HN 0.309 nan 8.150 nan 0.000 0.445 457 F N -2.492 117.391 119.950 -0.111 0.000 2.619 457 F HA 0.192 4.719 4.527 0.000 0.000 0.293 457 F C 0.933 176.778 175.800 0.075 0.000 1.119 457 F CA -0.573 57.339 58.000 -0.146 0.000 1.445 457 F CB -0.603 38.258 39.000 -0.233 0.000 1.119 457 F HN 0.242 nan 8.300 nan 0.000 0.573 458 Y N 2.150 122.546 120.300 0.159 0.000 2.597 458 Y HA 0.113 4.663 4.550 0.000 0.000 0.336 458 Y C 0.780 176.727 175.900 0.078 0.000 1.216 458 Y CA -1.233 56.937 58.100 0.116 0.000 1.463 458 Y CB 0.221 38.723 38.460 0.070 0.000 1.303 458 Y HN 0.039 nan 8.280 nan 0.000 0.576 459 M N 5.920 125.195 119.600 -0.542 0.000 2.722 459 M HA -0.167 4.313 4.480 0.000 0.000 0.175 459 M C -0.790 175.408 176.300 -0.169 0.000 1.116 459 M CA 1.253 56.266 55.300 -0.478 0.000 0.661 459 M CB -2.713 29.414 32.600 -0.788 0.000 1.168 459 M HN 0.542 nan 8.290 nan 0.000 0.800 460 V N -1.946 117.954 119.914 -0.022 0.000 3.087 460 V HA 1.118 5.238 4.120 0.000 0.000 0.311 460 V C 0.400 176.545 176.094 0.085 0.000 1.333 460 V CA 0.018 62.336 62.300 0.031 0.000 1.054 460 V CB 1.718 33.560 31.823 0.032 0.000 1.123 460 V HN 0.503 nan 8.190 nan 0.000 0.473 461 G N -0.529 108.328 108.800 0.096 0.000 3.110 461 G HA2 0.581 4.541 3.960 0.000 0.000 0.207 461 G HA3 0.581 4.541 3.960 0.000 0.000 0.207 461 G C -2.471 172.521 174.900 0.153 0.000 1.841 461 G CA -0.382 44.777 45.100 0.098 0.000 0.751 461 G HN 0.816 nan 8.290 nan 0.000 0.771 462 P HA 0.077 nan 4.420 nan 0.000 0.271 462 P C 0.710 178.096 177.300 0.142 0.000 1.244 462 P CA -0.385 62.789 63.100 0.125 0.000 0.793 462 P CB 1.202 32.940 31.700 0.062 0.000 0.984 463 I N 0.588 121.240 120.570 0.137 0.000 2.454 463 I HA -0.241 3.929 4.170 0.000 0.000 0.254 463 I C 1.798 177.768 176.117 -0.246 0.000 1.156 463 I CA 1.678 62.909 61.300 -0.115 0.000 1.433 463 I CB -0.973 36.964 38.000 -0.106 0.000 1.082 463 I HN 0.203 nan 8.210 nan 0.000 0.432 464 E N 1.012 121.149 120.200 -0.105 0.000 2.021 464 E HA -0.268 4.083 4.350 0.000 0.000 0.200 464 E C 2.074 178.580 176.600 -0.156 0.000 1.015 464 E CA 1.970 58.307 56.400 -0.106 0.000 0.824 464 E CB -0.525 29.153 29.700 -0.038 0.000 0.762 464 E HN 0.575 nan 8.360 nan 0.000 0.454 465 E N -0.117 120.015 120.200 -0.114 0.000 2.448 465 E HA -0.207 4.143 4.350 0.000 0.000 0.203 465 E C 1.630 178.100 176.600 -0.216 0.000 1.046 465 E CA 0.574 56.903 56.400 -0.119 0.000 0.871 465 E CB -0.113 29.555 29.700 -0.055 0.000 0.790 465 E HN 0.293 nan 8.360 nan 0.000 0.545 466 A N 0.320 122.924 122.820 -0.359 0.000 1.874 466 A HA -0.076 4.244 4.320 0.000 0.000 0.214 466 A C 2.395 179.622 177.584 -0.595 0.000 1.189 466 A CA 0.709 52.376 52.037 -0.617 0.000 0.615 466 A CB -0.287 18.131 19.000 -0.969 0.000 0.830 466 A HN 0.124 nan 8.150 nan 0.000 0.443 467 V N 0.111 119.736 119.914 -0.482 0.000 2.358 467 V HA -0.177 3.943 4.120 0.000 0.000 0.246 467 V C 3.038 179.007 176.094 -0.209 0.000 1.047 467 V CA 1.765 63.868 62.300 -0.328 0.000 1.035 467 V CB -1.297 30.415 31.823 -0.185 0.000 0.658 467 V HN 0.574 nan 8.190 nan 0.000 0.452 468 A N -0.049 122.670 122.820 -0.168 0.000 1.940 468 A HA -0.284 4.036 4.320 0.000 0.000 0.219 468 A C 2.345 179.861 177.584 -0.113 0.000 1.176 468 A CA 2.282 54.253 52.037 -0.110 0.000 0.631 468 A CB -0.488 18.462 19.000 -0.084 0.000 0.814 468 A HN 0.526 nan 8.150 nan 0.000 0.446 469 K N -0.520 119.790 120.400 -0.151 0.000 2.217 469 K HA 0.048 4.368 4.320 0.000 0.000 0.202 469 K C 2.055 178.571 176.600 -0.140 0.000 1.051 469 K CA 0.916 57.126 56.287 -0.129 0.000 0.952 469 K CB -0.249 32.165 32.500 -0.143 0.000 0.736 469 K HN 0.383 nan 8.250 nan 0.000 0.453 470 A N 1.718 124.419 122.820 -0.199 0.000 1.873 470 A HA -0.164 4.157 4.320 0.000 0.000 0.215 470 A C 1.603 179.124 177.584 -0.105 0.000 1.186 470 A CA 1.767 53.694 52.037 -0.183 0.000 0.616 470 A CB -0.454 18.389 19.000 -0.261 0.000 0.823 470 A HN 0.362 nan 8.150 nan 0.000 0.442 471 D N 0.252 120.600 120.400 -0.087 0.000 2.084 471 D HA -0.155 4.485 4.640 0.000 0.000 0.194 471 D C 1.870 178.147 176.300 -0.038 0.000 0.990 471 D CA 1.584 55.555 54.000 -0.049 0.000 0.826 471 D CB -0.395 40.383 40.800 -0.037 0.000 0.971 471 D HN 0.497 nan 8.370 nan 0.000 0.453 472 K N 0.638 121.013 120.400 -0.042 0.000 2.020 472 K HA -0.099 4.221 4.320 0.000 0.000 0.212 472 K C 2.187 178.772 176.600 -0.024 0.000 1.050 472 K CA 0.879 57.149 56.287 -0.029 0.000 0.929 472 K CB -0.307 32.176 32.500 -0.029 0.000 0.714 472 K HN 0.144 nan 8.250 nan 0.000 0.443 473 L N 0.785 121.990 121.223 -0.030 0.000 2.610 473 L HA 0.071 4.411 4.340 0.000 0.000 0.232 473 L C 0.630 177.487 176.870 -0.021 0.000 1.149 473 L CA -0.127 54.701 54.840 -0.021 0.000 0.872 473 L CB -0.970 41.075 42.059 -0.023 0.000 0.992 473 L HN 0.288 nan 8.230 nan 0.000 0.447 474 A N 0.000 122.805 122.820 -0.024 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.026 52.037 -0.017 0.000 0.836 474 A CB 0.000 18.995 19.000 -0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486