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 2w6h_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.890 174.700 0.317 0.000 1.109 9 T CA 0.000 62.227 62.100 0.212 0.000 1.349 9 T CB 0.000 69.003 68.868 0.225 0.000 0.612 10 T N 0.620 115.286 114.554 0.188 0.000 2.786 10 T HA 0.791 5.141 4.350 0.000 0.000 0.283 10 T C 0.627 175.061 174.700 -0.443 0.000 0.992 10 T CA -0.474 61.604 62.100 -0.037 0.000 0.954 10 T CB 1.436 70.268 68.868 -0.060 0.000 0.934 10 T HN 1.175 nan 8.240 nan 0.000 0.440 11 G N 1.906 110.080 108.800 -1.044 0.000 2.705 11 G HA2 0.744 4.704 3.960 0.000 0.000 0.299 11 G HA3 0.744 4.704 3.960 0.000 0.000 0.299 11 G C -0.955 173.576 174.900 -0.615 0.000 1.315 11 G CA -1.226 42.980 45.100 -1.489 0.000 1.045 11 G HN 0.700 nan 8.290 nan 0.000 0.517 12 R N -0.932 119.311 120.500 -0.428 0.000 2.621 12 R HA 0.387 4.727 4.340 0.000 0.000 0.292 12 R C -0.361 175.848 176.300 -0.151 0.000 0.969 12 R CA -0.698 55.268 56.100 -0.224 0.000 0.887 12 R CB 2.225 32.431 30.300 -0.156 0.000 1.180 12 R HN 0.393 nan 8.270 nan 0.000 0.450 13 I N 4.370 124.880 120.570 -0.101 0.000 2.581 13 I HA -0.085 4.085 4.170 0.000 0.000 0.285 13 I C 1.618 177.707 176.117 -0.047 0.000 1.129 13 I CA 0.131 61.396 61.300 -0.059 0.000 1.397 13 I CB 0.832 38.808 38.000 -0.040 0.000 1.399 13 I HN 0.588 nan 8.210 nan 0.000 0.537 14 V N 4.133 124.026 119.914 -0.034 0.000 2.672 14 V HA 0.434 4.554 4.120 0.000 0.000 0.242 14 V C 0.788 176.873 176.094 -0.015 0.000 1.059 14 V CA 0.730 63.015 62.300 -0.025 0.000 1.081 14 V CB 0.045 31.857 31.823 -0.019 0.000 0.752 14 V HN 0.696 nan 8.190 nan 0.000 0.472 15 A N -0.584 122.231 122.820 -0.009 0.000 2.539 15 A HA 0.842 5.162 4.320 0.000 0.000 0.296 15 A C -1.206 176.376 177.584 -0.003 0.000 1.073 15 A CA -0.452 51.582 52.037 -0.005 0.000 0.700 15 A CB 2.344 21.344 19.000 -0.001 0.000 1.296 15 A HN 0.574 nan 8.150 nan 0.000 0.405 16 V N 1.467 121.380 119.914 -0.003 0.000 2.668 16 V HA 0.529 4.649 4.120 0.000 0.000 0.304 16 V C -1.462 174.631 176.094 -0.002 0.000 1.071 16 V CA -0.094 62.205 62.300 -0.002 0.000 0.894 16 V CB 1.486 33.307 31.823 -0.004 0.000 1.008 16 V HN 0.684 nan 8.190 nan 0.000 0.425 17 I N 4.505 125.074 120.570 -0.001 0.000 2.540 17 I HA 0.696 4.866 4.170 0.000 0.000 0.280 17 I C 0.775 176.890 176.117 -0.002 0.000 1.083 17 I CA 0.706 62.005 61.300 -0.002 0.000 1.080 17 I CB 1.491 39.490 38.000 -0.002 0.000 1.205 17 I HN 0.847 nan 8.210 nan 0.000 0.459 18 G N 4.628 113.426 108.800 -0.003 0.000 2.622 18 G HA2 -0.276 3.685 3.960 0.000 0.000 0.307 18 G HA3 -0.276 3.685 3.960 0.000 0.000 0.307 18 G C 0.847 175.746 174.900 -0.002 0.000 1.226 18 G CA 0.602 45.699 45.100 -0.004 0.000 0.997 18 G HN 1.056 nan 8.290 nan 0.000 0.551 19 A N -0.777 122.041 122.820 -0.004 0.000 2.337 19 A HA 0.612 4.932 4.320 0.000 0.000 0.227 19 A C 0.616 178.201 177.584 0.002 0.000 1.259 19 A CA 1.203 53.239 52.037 -0.001 0.000 0.870 19 A CB 0.156 19.153 19.000 -0.004 0.000 0.927 19 A HN 1.348 nan 8.150 nan 0.000 0.497 20 V N 1.334 121.249 119.914 0.002 0.000 2.313 20 V HA 0.276 4.396 4.120 0.000 0.000 0.278 20 V C -0.534 175.566 176.094 0.009 0.000 1.017 20 V CA -0.424 61.880 62.300 0.006 0.000 0.823 20 V CB 1.264 33.090 31.823 0.004 0.000 1.010 20 V HN 0.100 nan 8.190 nan 0.000 0.443 21 V N 4.140 124.063 119.914 0.015 0.000 2.370 21 V HA 0.432 4.552 4.120 0.000 0.000 0.283 21 V C -0.412 175.697 176.094 0.025 0.000 1.023 21 V CA -0.605 61.705 62.300 0.016 0.000 0.857 21 V CB 1.850 33.683 31.823 0.017 0.000 0.985 21 V HN 0.759 nan 8.190 nan 0.000 0.443 22 D N 3.611 124.023 120.400 0.020 0.000 2.274 22 D HA 0.536 5.177 4.640 0.000 0.000 0.239 22 D C -0.515 175.799 176.300 0.024 0.000 1.104 22 D CA 0.076 54.093 54.000 0.028 0.000 0.840 22 D CB 1.934 42.746 40.800 0.020 0.000 1.100 22 D HN 0.279 nan 8.370 nan 0.000 0.477 23 V N 2.594 122.538 119.914 0.050 0.000 2.540 23 V HA 0.369 4.489 4.120 0.000 0.000 0.302 23 V C -0.061 176.071 176.094 0.063 0.000 1.035 23 V CA -0.970 61.347 62.300 0.028 0.000 0.873 23 V CB 1.819 33.678 31.823 0.060 0.000 0.992 23 V HN 0.400 nan 8.190 nan 0.000 0.428 24 Q N 2.798 122.575 119.800 -0.038 0.000 2.256 24 Q HA 0.645 4.986 4.340 0.000 0.000 0.257 24 Q C -1.906 174.035 176.000 -0.098 0.000 0.936 24 Q CA -0.400 55.402 55.803 -0.002 0.000 0.903 24 Q CB 1.453 30.171 28.738 -0.034 0.000 1.263 24 Q HN 0.612 nan 8.270 nan 0.000 0.440 25 F N 1.664 121.584 119.950 -0.050 0.000 2.522 25 F HA 0.303 4.831 4.527 0.001 0.000 0.324 25 F C 0.547 176.321 175.800 -0.043 0.000 1.077 25 F CA -0.549 57.422 58.000 -0.047 0.000 0.944 25 F CB 2.008 40.972 39.000 -0.060 0.000 1.175 25 F HN 0.663 nan 8.300 nan 0.000 0.468 26 D N 0.140 120.613 120.400 0.122 0.000 2.369 26 D HA 0.016 4.656 4.640 0.000 0.000 0.231 26 D C -0.130 176.214 176.300 0.073 0.000 0.967 26 D CA 1.014 55.053 54.000 0.064 0.000 0.905 26 D CB 0.397 41.208 40.800 0.019 0.000 1.044 26 D HN 0.470 nan 8.370 nan 0.000 0.487 27 E N 0.353 120.613 120.200 0.100 0.000 2.191 27 E HA 0.486 4.836 4.350 0.000 0.000 0.263 27 E C 0.070 176.713 176.600 0.072 0.000 0.881 27 E CA -0.851 55.588 56.400 0.065 0.000 0.757 27 E CB 2.138 31.866 29.700 0.047 0.000 1.147 27 E HN 0.119 nan 8.360 nan 0.000 0.414 28 G N 2.546 111.352 108.800 0.010 0.000 2.788 28 G HA2 -0.213 3.747 3.960 0.000 0.000 0.249 28 G HA3 -0.213 3.747 3.960 0.000 0.000 0.249 28 G C -0.805 173.979 174.900 -0.193 0.000 1.008 28 G CA -0.636 44.431 45.100 -0.055 0.000 1.220 28 G HN 0.319 nan 8.290 nan 0.000 0.506 29 L N 5.171 126.246 121.223 -0.247 0.000 2.290 29 L HA 0.607 4.947 4.340 0.000 0.000 0.284 29 L C -1.205 175.410 176.870 -0.424 0.000 1.078 29 L CA -2.352 52.229 54.840 -0.432 0.000 0.815 29 L CB 0.642 42.486 42.059 -0.358 0.000 1.162 29 L HN 0.395 nan 8.230 nan 0.000 0.435 30 P HA 0.295 nan 4.420 nan 0.000 0.275 30 P C -2.742 174.530 177.300 -0.045 0.000 1.227 30 P CA -1.435 61.480 63.100 -0.308 0.000 0.781 30 P CB 0.060 31.543 31.700 -0.362 0.000 0.906 31 P HA 0.165 nan 4.420 nan 0.000 0.272 31 P C 0.312 177.641 177.300 0.049 0.000 1.230 31 P CA -0.101 63.051 63.100 0.087 0.000 0.788 31 P CB 0.403 32.100 31.700 -0.004 0.000 0.949 32 I N 2.301 122.833 120.570 -0.062 0.000 2.710 32 I HA -0.070 4.100 4.170 0.000 0.000 0.286 32 I C 1.447 177.493 176.117 -0.118 0.000 1.181 32 I CA 0.564 61.799 61.300 -0.109 0.000 1.430 32 I CB -0.341 37.533 38.000 -0.210 0.000 1.367 32 I HN 0.439 nan 8.210 nan 0.000 0.577 33 L N 2.103 123.250 121.223 -0.126 0.000 3.558 33 L HA -0.217 4.124 4.340 0.000 0.000 0.422 33 L C 0.237 177.052 176.870 -0.092 0.000 0.740 33 L CA 0.089 54.809 54.840 -0.201 0.000 2.578 33 L CB -1.364 40.485 42.059 -0.350 0.000 1.116 33 L HN 0.682 nan 8.230 nan 0.000 0.626 34 N N 1.339 120.010 118.700 -0.049 0.000 2.492 34 N HA 0.455 5.195 4.740 0.000 0.000 0.260 34 N C 0.219 175.732 175.510 0.005 0.000 1.215 34 N CA 0.996 54.034 53.050 -0.020 0.000 0.923 34 N CB 1.010 39.476 38.487 -0.034 0.000 1.092 34 N HN 0.301 nan 8.380 nan 0.000 0.448 35 A N 3.256 126.088 122.820 0.020 0.000 2.289 35 A HA 0.513 4.833 4.320 0.000 0.000 0.298 35 A C -0.307 177.298 177.584 0.035 0.000 1.208 35 A CA -0.582 51.476 52.037 0.034 0.000 0.845 35 A CB 0.039 19.060 19.000 0.036 0.000 1.125 35 A HN 0.625 nan 8.150 nan 0.000 0.517 36 L N 1.969 123.223 121.223 0.053 0.000 2.331 36 L HA 0.541 4.881 4.340 0.000 0.000 0.275 36 L C -0.112 176.792 176.870 0.056 0.000 1.022 36 L CA -0.773 54.113 54.840 0.076 0.000 0.812 36 L CB 1.430 43.568 42.059 0.132 0.000 1.257 36 L HN 0.610 nan 8.230 nan 0.000 0.435 37 E N 2.014 122.244 120.200 0.050 0.000 2.145 37 E HA 0.321 4.672 4.350 0.000 0.000 0.270 37 E C -0.787 175.827 176.600 0.024 0.000 0.906 37 E CA -0.665 55.752 56.400 0.028 0.000 0.761 37 E CB 2.813 32.523 29.700 0.016 0.000 1.116 37 E HN 0.221 nan 8.360 nan 0.000 0.408 38 V N 3.696 123.619 119.914 0.016 0.000 2.637 38 V HA -0.032 4.088 4.120 0.000 0.000 0.296 38 V C 0.524 176.616 176.094 -0.003 0.000 1.046 38 V CA -0.091 62.211 62.300 0.003 0.000 1.066 38 V CB 0.926 32.750 31.823 0.002 0.000 0.968 38 V HN 0.511 nan 8.190 nan 0.000 0.483 39 Q N 2.255 122.047 119.800 -0.013 0.000 2.222 39 Q HA 0.520 4.860 4.340 0.000 0.000 0.252 39 Q C 0.822 176.813 176.000 -0.015 0.000 0.926 39 Q CA 0.340 56.135 55.803 -0.014 0.000 0.899 39 Q CB 1.528 30.255 28.738 -0.019 0.000 1.250 39 Q HN 1.149 nan 8.270 nan 0.000 0.441 40 G N 2.066 110.859 108.800 -0.012 0.000 2.255 40 G HA2 -0.218 3.742 3.960 0.000 0.000 0.239 40 G HA3 -0.218 3.742 3.960 0.000 0.000 0.239 40 G C -0.251 174.643 174.900 -0.009 0.000 1.083 40 G CA -0.227 44.866 45.100 -0.012 0.000 0.826 40 G HN 0.396 nan 8.290 nan 0.000 0.493 41 R N -0.980 119.515 120.500 -0.007 0.000 2.686 41 R HA 0.417 4.757 4.340 0.000 0.000 0.283 41 R C 1.008 177.305 176.300 -0.004 0.000 0.978 41 R CA -0.614 55.483 56.100 -0.005 0.000 0.897 41 R CB 1.260 31.558 30.300 -0.004 0.000 1.192 41 R HN 0.265 nan 8.270 nan 0.000 0.457 42 E N 0.245 120.443 120.200 -0.003 0.000 2.118 42 E HA -0.143 4.207 4.350 0.000 0.000 0.195 42 E C 0.719 177.318 176.600 -0.002 0.000 0.992 42 E CA 1.581 57.980 56.400 -0.003 0.000 0.804 42 E CB 0.100 29.799 29.700 -0.002 0.000 0.741 42 E HN 0.647 nan 8.360 nan 0.000 0.458 43 T N -2.086 112.468 114.554 -0.001 0.000 2.907 43 T HA 0.403 4.753 4.350 0.000 0.000 0.290 43 T C -0.267 174.434 174.700 0.001 0.000 1.066 43 T CA -1.131 60.969 62.100 0.000 0.000 1.012 43 T CB 1.867 70.736 68.868 0.001 0.000 1.184 43 T HN -0.092 nan 8.240 nan 0.000 0.522 44 R N 0.387 120.888 120.500 0.002 0.000 2.502 44 R HA 0.322 4.662 4.340 0.000 0.000 0.292 44 R C -1.084 175.220 176.300 0.006 0.000 0.998 44 R CA -0.321 55.781 56.100 0.003 0.000 1.056 44 R CB -0.148 30.153 30.300 0.003 0.000 0.939 44 R HN 0.559 nan 8.270 nan 0.000 0.411 45 L N 5.865 127.093 121.223 0.007 0.000 2.388 45 L HA 0.304 4.644 4.340 0.000 0.000 0.267 45 L C -1.320 175.559 176.870 0.016 0.000 0.995 45 L CA -0.500 54.347 54.840 0.011 0.000 0.864 45 L CB 1.760 43.824 42.059 0.009 0.000 1.216 45 L HN 0.282 nan 8.230 nan 0.000 0.430 46 V N 5.694 125.620 119.914 0.020 0.000 2.465 46 V HA 0.405 4.526 4.120 0.000 0.000 0.279 46 V C 0.201 176.314 176.094 0.032 0.000 1.045 46 V CA -0.466 61.849 62.300 0.026 0.000 0.938 46 V CB 1.428 33.267 31.823 0.027 0.000 0.986 46 V HN 0.552 nan 8.190 nan 0.000 0.467 47 L N 4.313 125.559 121.223 0.039 0.000 2.305 47 L HA 0.547 4.888 4.340 0.000 0.000 0.284 47 L C 0.102 177.002 176.870 0.049 0.000 1.013 47 L CA -0.265 54.602 54.840 0.044 0.000 0.819 47 L CB 1.735 43.825 42.059 0.052 0.000 1.227 47 L HN 0.706 nan 8.230 nan 0.000 0.417 48 E N 3.174 123.403 120.200 0.048 0.000 2.109 48 E HA 0.313 4.663 4.350 0.000 0.000 0.278 48 E C -0.851 175.768 176.600 0.031 0.000 0.954 48 E CA -0.759 55.669 56.400 0.047 0.000 0.779 48 E CB 1.630 31.373 29.700 0.071 0.000 1.093 48 E HN 0.323 nan 8.360 nan 0.000 0.401 49 V N 3.977 123.905 119.914 0.023 0.000 2.694 49 V HA 0.047 4.167 4.120 0.000 0.000 0.306 49 V C 0.964 177.057 176.094 -0.001 0.000 1.054 49 V CA 1.112 63.429 62.300 0.028 0.000 1.161 49 V CB 0.947 32.792 31.823 0.037 0.000 0.916 49 V HN 0.909 nan 8.190 nan 0.000 0.490 50 A N 3.733 126.561 122.820 0.014 0.000 2.138 50 A HA 0.360 4.680 4.320 0.000 0.000 0.203 50 A C 0.522 178.096 177.584 -0.017 0.000 1.286 50 A CA 0.467 52.498 52.037 -0.011 0.000 0.929 50 A CB 0.377 19.377 19.000 0.000 0.000 0.975 50 A HN 0.935 nan 8.150 nan 0.000 0.480 51 Q N -1.186 118.632 119.800 0.030 0.000 2.647 51 Q HA 0.309 4.649 4.340 0.000 0.000 0.283 51 Q C -1.835 174.263 176.000 0.163 0.000 0.943 51 Q CA -0.744 55.070 55.803 0.018 0.000 0.813 51 Q CB 0.437 29.178 28.738 0.004 0.000 1.477 51 Q HN 0.492 nan 8.270 nan 0.000 0.393 52 H N 1.552 120.613 119.070 -0.014 0.000 2.641 52 H HA 0.295 4.851 4.556 0.000 0.000 0.295 52 H C 0.461 175.788 175.328 -0.001 0.000 1.070 52 H CA -0.510 55.533 56.048 -0.009 0.000 1.257 52 H CB 1.020 30.772 29.762 -0.017 0.000 1.393 52 H HN 0.426 nan 8.280 nan 0.000 0.464 53 L N 2.977 124.269 121.223 0.116 0.000 2.622 53 L HA 0.094 4.435 4.340 0.000 0.000 0.233 53 L C 1.256 178.157 176.870 0.052 0.000 1.156 53 L CA 0.427 55.306 54.840 0.066 0.000 0.866 53 L CB -0.385 41.701 42.059 0.046 0.000 0.980 53 L HN 0.897 nan 8.230 nan 0.000 0.448 54 G N 0.347 109.182 108.800 0.058 0.000 2.781 54 G HA2 -0.224 3.736 3.960 0.000 0.000 0.683 54 G HA3 -0.224 3.736 3.960 0.000 0.000 0.683 54 G C 0.096 175.006 174.900 0.016 0.000 1.390 54 G CA -0.272 44.849 45.100 0.034 0.000 0.850 54 G HN 0.371 nan 8.290 nan 0.000 0.557 55 E N -1.091 119.114 120.200 0.009 0.000 2.553 55 E HA -0.188 4.162 4.350 0.000 0.000 0.264 55 E C 0.988 177.590 176.600 0.004 0.000 1.068 55 E CA 1.195 57.599 56.400 0.007 0.000 0.774 55 E CB -1.479 28.227 29.700 0.009 0.000 1.349 55 E HN 1.999 nan 8.360 nan 0.000 0.404 56 S N -1.497 114.197 115.700 -0.009 0.000 3.473 56 S HA -0.223 4.247 4.470 0.000 0.000 0.339 56 S C 0.134 174.744 174.600 0.018 0.000 1.148 56 S CA 1.542 59.736 58.200 -0.009 0.000 0.969 56 S CB -0.816 62.396 63.200 0.020 0.000 0.936 56 S HN 0.459 nan 8.310 nan 0.000 0.530 57 T N 1.176 115.734 114.554 0.007 0.000 2.888 57 T HA 0.653 5.003 4.350 0.000 0.000 0.284 57 T C 0.125 174.841 174.700 0.027 0.000 1.017 57 T CA -0.356 61.766 62.100 0.037 0.000 1.022 57 T CB 1.921 70.808 68.868 0.033 0.000 1.013 57 T HN 0.492 nan 8.240 nan 0.000 0.465 58 V N 0.775 120.731 119.914 0.070 0.000 2.604 58 V HA 0.753 4.873 4.120 0.000 0.000 0.305 58 V C -0.380 175.768 176.094 0.090 0.000 1.043 58 V CA -1.346 61.005 62.300 0.084 0.000 0.888 58 V CB 1.633 33.503 31.823 0.078 0.000 0.995 58 V HN 0.885 nan 8.190 nan 0.000 0.429 59 R N 2.878 123.428 120.500 0.085 0.000 2.312 59 R HA 0.761 5.101 4.340 0.000 0.000 0.311 59 R C -0.044 176.289 176.300 0.056 0.000 1.004 59 R CA 0.397 56.532 56.100 0.058 0.000 0.902 59 R CB 1.539 31.864 30.300 0.043 0.000 1.073 59 R HN 1.153 nan 8.270 nan 0.000 0.457 60 T N 1.232 115.815 114.554 0.048 0.000 2.907 60 T HA 0.531 4.881 4.350 0.000 0.000 0.290 60 T C -0.149 174.568 174.700 0.030 0.000 1.066 60 T CA -0.899 61.227 62.100 0.043 0.000 1.012 60 T CB 1.141 70.043 68.868 0.058 0.000 1.184 60 T HN 0.475 nan 8.240 nan 0.000 0.522 61 I N 1.845 122.431 120.570 0.028 0.000 2.382 61 I HA 0.543 4.713 4.170 0.000 0.000 0.285 61 I C 0.801 176.932 176.117 0.024 0.000 1.007 61 I CA -1.198 60.114 61.300 0.020 0.000 1.142 61 I CB 1.318 39.328 38.000 0.017 0.000 1.289 61 I HN 0.977 nan 8.210 nan 0.000 0.453 62 A N 7.225 130.056 122.820 0.018 0.000 2.483 62 A HA 0.287 4.607 4.320 0.000 0.000 0.238 62 A C 0.937 178.532 177.584 0.020 0.000 1.070 62 A CA 0.055 52.104 52.037 0.019 0.000 0.770 62 A CB 0.330 19.338 19.000 0.013 0.000 1.008 62 A HN 0.767 nan 8.150 nan 0.000 0.497 63 M N 0.556 120.169 119.600 0.022 0.000 2.428 63 M HA 0.199 4.679 4.480 0.000 0.000 0.239 63 M C -0.096 176.215 176.300 0.018 0.000 1.121 63 M CA 0.539 55.853 55.300 0.023 0.000 1.019 63 M CB -0.907 31.710 32.600 0.029 0.000 1.485 63 M HN 0.766 nan 8.290 nan 0.000 0.484 64 D N -0.945 119.464 120.400 0.014 0.000 2.643 64 D HA 0.437 5.077 4.640 0.000 0.000 0.283 64 D C -0.523 175.782 176.300 0.008 0.000 1.242 64 D CA -0.171 53.835 54.000 0.011 0.000 0.863 64 D CB 1.652 42.459 40.800 0.011 0.000 1.382 64 D HN 0.124 nan 8.370 nan 0.000 0.444 65 G N -0.570 108.233 108.800 0.006 0.000 2.368 65 G HA2 0.240 4.200 3.960 0.000 0.000 0.233 65 G HA3 0.240 4.200 3.960 0.000 0.000 0.233 65 G C 0.891 175.793 174.900 0.003 0.000 1.267 65 G CA 0.731 45.833 45.100 0.003 0.000 0.873 65 G HN 0.406 nan 8.290 nan 0.000 0.539 66 T N -1.027 113.528 114.554 0.002 0.000 3.105 66 T HA 0.198 4.548 4.350 0.000 0.000 0.253 66 T C 0.441 175.141 174.700 -0.001 0.000 1.047 66 T CA -0.169 61.931 62.100 0.001 0.000 0.944 66 T CB -0.017 68.851 68.868 0.001 0.000 1.016 66 T HN 0.585 nan 8.240 nan 0.000 0.544 67 E N 1.371 121.570 120.200 -0.001 0.000 2.413 67 E HA 0.460 4.810 4.350 0.000 0.000 0.263 67 E C 1.439 178.037 176.600 -0.003 0.000 1.015 67 E CA 0.484 56.882 56.400 -0.002 0.000 0.916 67 E CB -0.303 29.396 29.700 -0.002 0.000 0.947 67 E HN 0.264 nan 8.360 nan 0.000 0.440 68 G N 1.630 110.428 108.800 -0.004 0.000 2.284 68 G HA2 -0.295 3.665 3.960 0.000 0.000 0.230 68 G HA3 -0.295 3.665 3.960 0.000 0.000 0.230 68 G C 0.228 175.124 174.900 -0.007 0.000 1.021 68 G CA -0.023 45.074 45.100 -0.005 0.000 0.619 68 G HN 0.418 nan 8.290 nan 0.000 0.510 69 L N 0.831 122.050 121.223 -0.007 0.000 2.492 69 L HA 0.432 4.772 4.340 0.000 0.000 0.280 69 L C 0.616 177.480 176.870 -0.011 0.000 1.240 69 L CA 0.074 54.909 54.840 -0.009 0.000 0.831 69 L CB 0.683 42.737 42.059 -0.008 0.000 1.100 69 L HN 0.085 nan 8.230 nan 0.000 0.505 70 V N 1.499 121.404 119.914 -0.015 0.000 2.841 70 V HA 0.375 4.495 4.120 0.000 0.000 0.310 70 V C -0.060 176.021 176.094 -0.022 0.000 1.090 70 V CA -0.970 61.320 62.300 -0.017 0.000 0.930 70 V CB 1.963 33.776 31.823 -0.017 0.000 1.014 70 V HN 0.659 nan 8.190 nan 0.000 0.425 71 R N 1.814 122.302 120.500 -0.020 0.000 2.698 71 R HA 0.411 4.751 4.340 0.000 0.000 0.266 71 R C 1.386 177.667 176.300 -0.031 0.000 1.026 71 R CA 1.086 57.172 56.100 -0.025 0.000 1.102 71 R CB 0.093 30.381 30.300 -0.021 0.000 0.978 71 R HN 1.269 nan 8.270 nan 0.000 0.436 72 G N 0.878 109.653 108.800 -0.041 0.000 2.205 72 G HA2 -0.369 3.591 3.960 0.000 0.000 0.261 72 G HA3 -0.369 3.591 3.960 0.000 0.000 0.261 72 G C 0.212 175.077 174.900 -0.057 0.000 0.980 72 G CA 0.402 45.472 45.100 -0.050 0.000 0.632 72 G HN 0.624 nan 8.290 nan 0.000 0.533 73 Q N 1.055 120.825 119.800 -0.051 0.000 2.395 73 Q HA 0.394 4.734 4.340 0.000 0.000 0.271 73 Q C 0.345 176.302 176.000 -0.073 0.000 1.026 73 Q CA 0.058 55.831 55.803 -0.051 0.000 0.900 73 Q CB 0.390 29.105 28.738 -0.038 0.000 1.266 73 Q HN 0.318 nan 8.270 nan 0.000 0.430 74 K N 2.266 122.623 120.400 -0.070 0.000 2.249 74 K HA 0.338 4.658 4.320 0.000 0.000 0.280 74 K C -0.996 175.555 176.600 -0.080 0.000 1.033 74 K CA -0.410 55.822 56.287 -0.093 0.000 0.946 74 K CB 1.398 33.854 32.500 -0.073 0.000 1.005 74 K HN 0.379 nan 8.250 nan 0.000 0.469 75 V N 3.484 123.328 119.914 -0.116 0.000 2.656 75 V HA 0.346 4.466 4.120 0.000 0.000 0.307 75 V C -0.803 175.277 176.094 -0.023 0.000 1.051 75 V CA -1.055 61.208 62.300 -0.062 0.000 0.893 75 V CB 1.916 33.706 31.823 -0.055 0.000 0.999 75 V HN 0.554 nan 8.190 nan 0.000 0.426 76 L N 3.220 124.480 121.223 0.062 0.000 2.305 76 L HA 0.560 4.900 4.340 0.000 0.000 0.284 76 L C -0.186 176.782 176.870 0.163 0.000 1.013 76 L CA -0.138 54.770 54.840 0.113 0.000 0.819 76 L CB 1.528 43.618 42.059 0.052 0.000 1.227 76 L HN 0.717 nan 8.230 nan 0.000 0.417 77 D N 1.744 122.280 120.400 0.227 0.000 2.412 77 D HA -0.035 4.605 4.640 0.000 0.000 0.257 77 D C 1.180 177.507 176.300 0.045 0.000 1.217 77 D CA 0.689 54.751 54.000 0.103 0.000 0.897 77 D CB 1.216 42.015 40.800 -0.002 0.000 1.132 77 D HN 0.605 nan 8.370 nan 0.000 0.493 78 S N 2.892 118.608 115.700 0.027 0.000 2.507 78 S HA 0.043 4.513 4.470 0.000 0.000 0.235 78 S C 1.763 176.358 174.600 -0.008 0.000 0.988 78 S CA 0.755 58.959 58.200 0.006 0.000 0.944 78 S CB -0.245 62.955 63.200 -0.001 0.000 0.762 78 S HN 0.922 nan 8.310 nan 0.000 0.526 79 G N 0.358 109.150 108.800 -0.014 0.000 2.225 79 G HA2 -0.019 3.941 3.960 0.000 0.000 0.254 79 G HA3 -0.019 3.941 3.960 0.000 0.000 0.254 79 G C 0.219 175.108 174.900 -0.019 0.000 0.988 79 G CA 0.010 45.097 45.100 -0.022 0.000 0.625 79 G HN 1.560 nan 8.290 nan 0.000 0.527 80 A N -0.502 122.311 122.820 -0.012 0.000 2.533 80 A HA 0.963 5.283 4.320 0.000 0.000 0.293 80 A C -3.057 174.534 177.584 0.011 0.000 1.228 80 A CA -0.692 51.344 52.037 -0.002 0.000 0.689 80 A CB 1.117 20.118 19.000 0.002 0.000 1.303 80 A HN 0.156 nan 8.150 nan 0.000 0.444 81 P HA 0.426 nan 4.420 nan 0.000 0.278 81 P C -0.432 176.917 177.300 0.081 0.000 1.258 81 P CA -0.427 62.715 63.100 0.071 0.000 0.811 81 P CB 0.255 32.029 31.700 0.124 0.000 1.063 82 I N 1.202 121.836 120.570 0.106 0.000 2.919 82 I HA -0.120 4.050 4.170 0.000 0.000 0.299 82 I C 1.141 177.297 176.117 0.066 0.000 1.221 82 I CA 1.081 62.424 61.300 0.072 0.000 1.424 82 I CB -0.253 37.789 38.000 0.069 0.000 1.358 82 I HN 0.184 nan 8.210 nan 0.000 0.551 83 R N 7.069 127.603 120.500 0.055 0.000 2.637 83 R HA 0.756 5.096 4.340 0.000 0.000 0.291 83 R C -0.708 175.685 176.300 0.156 0.000 0.963 83 R CA -0.782 55.372 56.100 0.090 0.000 0.901 83 R CB 2.210 32.551 30.300 0.070 0.000 1.160 83 R HN 0.598 nan 8.270 nan 0.000 0.457 84 I N -1.389 119.303 120.570 0.203 0.000 2.865 84 I HA 0.579 4.749 4.170 0.000 0.000 0.302 84 I C -2.685 173.505 176.117 0.122 0.000 1.140 84 I CA -3.318 58.112 61.300 0.217 0.000 1.021 84 I CB 2.457 40.491 38.000 0.056 0.000 1.233 84 I HN 0.316 nan 8.210 nan 0.000 0.427 85 P HA 0.098 nan 4.420 nan 0.000 0.262 85 P C -0.612 176.402 177.300 -0.476 0.000 1.199 85 P CA 0.035 62.750 63.100 -0.642 0.000 0.763 85 P CB 0.526 32.012 31.700 -0.357 0.000 0.790 86 V N 1.329 120.864 119.914 -0.631 0.000 2.823 86 V HA 1.030 5.150 4.120 0.000 0.000 0.312 86 V C -0.000 175.504 176.094 -0.982 0.000 1.072 86 V CA -0.151 61.734 62.300 -0.692 0.000 0.937 86 V CB 1.685 33.147 31.823 -0.601 0.000 1.013 86 V HN 0.880 nan 8.190 nan 0.000 0.430 87 G N 3.767 111.857 108.800 -1.183 0.000 2.369 87 G HA2 0.259 4.220 3.960 0.000 0.000 0.295 87 G HA3 0.259 4.220 3.960 0.000 0.000 0.295 87 G C -2.890 171.867 174.900 -0.238 0.000 1.298 87 G CA 0.077 44.612 45.100 -0.941 0.000 0.940 87 G HN 0.607 nan 8.290 nan 0.000 0.536 88 P HA 0.072 nan 4.420 nan 0.000 0.229 88 P C 1.152 178.460 177.300 0.013 0.000 1.160 88 P CA 1.215 64.401 63.100 0.142 0.000 0.777 88 P CB 0.118 31.899 31.700 0.136 0.000 0.814 89 E N -0.119 120.055 120.200 -0.044 0.000 2.511 89 E HA -0.044 4.306 4.350 0.000 0.000 0.196 89 E C 1.141 177.711 176.600 -0.049 0.000 1.066 89 E CA 0.969 57.339 56.400 -0.049 0.000 0.871 89 E CB -1.352 28.309 29.700 -0.065 0.000 0.863 89 E HN 0.375 nan 8.360 nan 0.000 0.520 90 T N -1.823 112.705 114.554 -0.043 0.000 3.044 90 T HA 0.181 4.531 4.350 0.000 0.000 0.250 90 T C 1.044 175.760 174.700 0.027 0.000 1.081 90 T CA -0.357 61.729 62.100 -0.023 0.000 1.040 90 T CB -0.138 68.701 68.868 -0.048 0.000 0.962 90 T HN 0.010 nan 8.240 nan 0.000 0.506 91 L N 2.201 123.434 121.223 0.016 0.000 2.534 91 L HA 0.414 4.755 4.340 0.000 0.000 0.271 91 L C 1.586 178.463 176.870 0.011 0.000 1.178 91 L CA 1.033 55.859 54.840 -0.023 0.000 0.907 91 L CB 0.143 42.112 42.059 -0.150 0.000 1.164 91 L HN 0.606 nan 8.230 nan 0.000 0.482 92 G N 2.254 111.082 108.800 0.046 0.000 2.179 92 G HA2 -0.209 3.751 3.960 0.000 0.000 0.260 92 G HA3 -0.209 3.751 3.960 0.000 0.000 0.260 92 G C 0.252 175.218 174.900 0.109 0.000 0.977 92 G CA -0.401 44.744 45.100 0.075 0.000 0.641 92 G HN 0.459 nan 8.290 nan 0.000 0.533 93 R N -0.300 120.248 120.500 0.081 0.000 2.732 93 R HA 0.749 5.089 4.340 0.000 0.000 0.278 93 R C 0.204 176.532 176.300 0.046 0.000 0.976 93 R CA -1.013 55.123 56.100 0.060 0.000 0.963 93 R CB 1.048 31.364 30.300 0.027 0.000 1.150 93 R HN 0.278 nan 8.270 nan 0.000 0.478 94 I N 2.874 123.434 120.570 -0.017 0.000 2.377 94 I HA 0.441 4.611 4.170 0.000 0.000 0.293 94 I C 0.512 176.632 176.117 0.005 0.000 0.987 94 I CA -0.462 60.822 61.300 -0.025 0.000 1.185 94 I CB 1.466 39.346 38.000 -0.200 0.000 1.341 94 I HN 0.329 nan 8.210 nan 0.000 0.455 95 M N 5.185 124.816 119.600 0.052 0.000 2.631 95 M HA 0.519 5.000 4.480 0.000 0.000 0.288 95 M C -1.409 174.926 176.300 0.057 0.000 1.260 95 M CA -0.630 54.693 55.300 0.037 0.000 0.842 95 M CB 2.356 34.969 32.600 0.022 0.000 1.743 95 M HN 0.393 nan 8.290 nan 0.000 0.461 96 N N 0.582 119.308 118.700 0.044 0.000 2.347 96 N HA 0.249 4.989 4.740 0.000 0.000 0.253 96 N C 1.037 176.568 175.510 0.036 0.000 1.274 96 N CA -0.188 52.889 53.050 0.044 0.000 0.941 96 N CB 1.145 39.651 38.487 0.032 0.000 1.200 96 N HN 0.585 nan 8.380 nan 0.000 0.514 97 V N 0.703 120.637 119.914 0.034 0.000 2.343 97 V HA -0.194 3.926 4.120 0.000 0.000 0.247 97 V C 1.735 177.841 176.094 0.019 0.000 1.051 97 V CA 1.637 63.950 62.300 0.022 0.000 1.036 97 V CB -0.798 31.040 31.823 0.025 0.000 0.654 97 V HN 0.753 nan 8.190 nan 0.000 0.451 98 I N -0.718 119.868 120.570 0.026 0.000 3.752 98 I HA 0.542 4.712 4.170 0.000 0.000 0.313 98 I C 1.336 177.477 176.117 0.040 0.000 1.304 98 I CA 0.565 61.883 61.300 0.030 0.000 1.171 98 I CB -0.762 37.255 38.000 0.027 0.000 1.038 98 I HN 0.322 nan 8.210 nan 0.000 0.427 99 G N 1.222 110.045 108.800 0.039 0.000 2.168 99 G HA2 -0.289 3.672 3.960 0.000 0.000 0.257 99 G HA3 -0.289 3.672 3.960 0.000 0.000 0.257 99 G C -0.119 174.815 174.900 0.056 0.000 0.997 99 G CA 0.423 45.553 45.100 0.051 0.000 0.708 99 G HN 0.730 nan 8.290 nan 0.000 0.520 100 E N 1.280 121.505 120.200 0.041 0.000 2.266 100 E HA 0.418 4.768 4.350 0.000 0.000 0.277 100 E C -2.288 174.326 176.600 0.024 0.000 1.018 100 E CA -2.164 54.258 56.400 0.037 0.000 0.840 100 E CB 1.366 31.081 29.700 0.026 0.000 1.082 100 E HN 0.182 nan 8.360 nan 0.000 0.395 101 P HA -0.002 nan 4.420 nan 0.000 0.269 101 P C 0.172 177.467 177.300 -0.008 0.000 1.209 101 P CA 0.414 63.517 63.100 0.004 0.000 0.776 101 P CB 0.381 32.085 31.700 0.005 0.000 0.876 102 I N -1.394 119.157 120.570 -0.031 0.000 3.597 102 I HA 0.270 4.440 4.170 0.000 0.000 0.323 102 I C -0.065 175.994 176.117 -0.097 0.000 1.535 102 I CA -0.327 60.943 61.300 -0.050 0.000 1.028 102 I CB 0.290 38.262 38.000 -0.047 0.000 1.354 102 I HN 0.039 nan 8.210 nan 0.000 0.544 103 D N 0.283 120.630 120.400 -0.088 0.000 2.440 103 D HA 0.056 4.696 4.640 0.000 0.000 0.216 103 D C 0.369 176.654 176.300 -0.025 0.000 1.150 103 D CA -0.259 53.673 54.000 -0.113 0.000 0.832 103 D CB -0.003 40.712 40.800 -0.142 0.000 0.992 103 D HN 0.444 nan 8.370 nan 0.000 0.502 104 E N 0.155 120.346 120.200 -0.015 0.000 2.328 104 E HA -0.256 4.094 4.350 0.000 0.000 0.233 104 E C 0.050 176.662 176.600 0.019 0.000 1.219 104 E CA 0.285 56.688 56.400 0.006 0.000 0.717 104 E CB -0.890 28.817 29.700 0.012 0.000 1.210 104 E HN 0.394 nan 8.360 nan 0.000 0.381 105 R N -0.298 120.213 120.500 0.020 0.000 2.662 105 R HA 0.292 4.632 4.340 0.000 0.000 0.396 105 R C 0.616 176.929 176.300 0.021 0.000 1.096 105 R CA 0.257 56.373 56.100 0.027 0.000 1.081 105 R CB 1.246 31.570 30.300 0.040 0.000 1.382 105 R HN 0.324 nan 8.270 nan 0.000 0.580 106 G N 1.907 110.717 108.800 0.017 0.000 2.728 106 G HA2 -0.204 3.756 3.960 0.000 0.000 0.294 106 G HA3 -0.204 3.756 3.960 0.000 0.000 0.294 106 G C -2.778 172.133 174.900 0.018 0.000 1.342 106 G CA -1.247 43.862 45.100 0.017 0.000 0.866 106 G HN 0.037 nan 8.290 nan 0.000 0.534 107 P HA 0.524 nan 4.420 nan 0.000 0.274 107 P C 0.000 177.314 177.300 0.023 0.000 1.231 107 P CA -0.436 62.682 63.100 0.030 0.000 0.790 107 P CB 0.539 32.262 31.700 0.038 0.000 0.951 108 I N 2.345 122.930 120.570 0.025 0.000 2.281 108 I HA 0.153 4.324 4.170 0.000 0.000 0.293 108 I C 0.756 176.867 176.117 -0.010 0.000 1.085 108 I CA -0.052 61.244 61.300 -0.006 0.000 1.257 108 I CB -0.022 37.963 38.000 -0.025 0.000 1.430 108 I HN 0.058 nan 8.210 nan 0.000 0.489 109 K N 5.869 126.259 120.400 -0.017 0.000 2.231 109 K HA 0.274 4.594 4.320 0.000 0.000 0.275 109 K C -0.078 176.482 176.600 -0.067 0.000 1.105 109 K CA -0.319 55.961 56.287 -0.011 0.000 0.931 109 K CB 0.611 33.117 32.500 0.009 0.000 1.296 109 K HN 0.606 nan 8.250 nan 0.000 0.446 110 T N -1.043 113.427 114.554 -0.140 0.000 2.918 110 T HA 0.313 4.663 4.350 0.000 0.000 0.286 110 T C 0.933 175.522 174.700 -0.186 0.000 1.026 110 T CA -1.034 60.915 62.100 -0.252 0.000 1.031 110 T CB 2.034 70.586 68.868 -0.526 0.000 1.046 110 T HN 0.284 nan 8.240 nan 0.000 0.479 111 K N 0.554 120.857 120.400 -0.163 0.000 2.044 111 K HA 0.014 4.335 4.320 0.000 0.000 0.204 111 K C 0.364 176.923 176.600 -0.069 0.000 1.049 111 K CA 1.001 57.247 56.287 -0.070 0.000 0.945 111 K CB -0.039 32.438 32.500 -0.038 0.000 0.724 111 K HN 0.592 nan 8.250 nan 0.000 0.440 112 Q N -0.480 119.202 119.800 -0.196 0.000 2.297 112 Q HA 0.469 4.809 4.340 0.000 0.000 0.269 112 Q C -1.049 174.672 176.000 -0.465 0.000 1.051 112 Q CA -0.494 55.214 55.803 -0.159 0.000 0.869 112 Q CB 1.101 29.777 28.738 -0.104 0.000 1.346 112 Q HN -0.049 nan 8.270 nan 0.000 0.457 113 F N 0.156 120.061 119.950 -0.075 0.000 2.540 113 F HA 0.780 5.307 4.527 0.000 0.000 0.317 113 F C -0.392 175.375 175.800 -0.055 0.000 1.104 113 F CA -0.831 57.125 58.000 -0.073 0.000 0.913 113 F CB 1.990 40.962 39.000 -0.046 0.000 1.170 113 F HN 0.630 nan 8.300 nan 0.000 0.450 114 A N 1.890 124.751 122.820 0.067 0.000 2.355 114 A HA 0.894 5.214 4.320 0.000 0.000 0.324 114 A C -0.970 176.652 177.584 0.063 0.000 1.117 114 A CA -0.701 51.364 52.037 0.046 0.000 0.785 114 A CB 1.032 20.026 19.000 -0.009 0.000 1.254 114 A HN 0.905 nan 8.150 nan 0.000 0.453 115 A N 1.284 124.138 122.820 0.057 0.000 2.331 115 A HA 0.509 4.830 4.320 0.000 0.000 0.283 115 A C 1.053 178.653 177.584 0.026 0.000 1.142 115 A CA -0.140 51.933 52.037 0.060 0.000 0.812 115 A CB -0.136 18.910 19.000 0.078 0.000 1.074 115 A HN 1.543 nan 8.150 nan 0.000 0.497 116 I N -0.600 119.964 120.570 -0.009 0.000 2.916 116 I HA -0.016 4.155 4.170 0.000 0.000 0.267 116 I C -0.126 175.857 176.117 -0.224 0.000 1.263 116 I CA 0.760 61.983 61.300 -0.130 0.000 1.471 116 I CB -0.367 37.517 38.000 -0.194 0.000 1.089 116 I HN 0.478 nan 8.210 nan 0.000 0.468 117 H N 2.402 121.476 119.070 0.007 0.000 2.581 117 H HA 0.755 5.311 4.556 0.000 0.000 0.308 117 H C -0.439 174.891 175.328 0.002 0.000 1.040 117 H CA -0.261 55.790 56.048 0.005 0.000 1.231 117 H CB 1.535 31.302 29.762 0.008 0.000 1.396 117 H HN 0.392 nan 8.280 nan 0.000 0.467 118 A N 3.411 126.285 122.820 0.089 0.000 2.485 118 A HA 0.476 4.796 4.320 0.000 0.000 0.292 118 A C -0.219 177.390 177.584 0.043 0.000 1.147 118 A CA -0.862 51.206 52.037 0.051 0.000 0.750 118 A CB 1.982 20.994 19.000 0.019 0.000 1.331 118 A HN 0.634 nan 8.150 nan 0.000 0.419 119 E N 0.073 120.291 120.200 0.030 0.000 2.280 119 E HA 0.536 4.886 4.350 0.000 0.000 0.264 119 E C -0.017 176.594 176.600 0.017 0.000 1.064 119 E CA -0.551 55.865 56.400 0.026 0.000 0.900 119 E CB 1.716 31.431 29.700 0.024 0.000 1.123 119 E HN 0.773 nan 8.360 nan 0.000 0.418 120 A N 2.304 125.135 122.820 0.019 0.000 2.371 120 A HA 0.377 4.698 4.320 0.000 0.000 0.257 120 A C -2.166 175.428 177.584 0.017 0.000 1.089 120 A CA -1.254 50.790 52.037 0.012 0.000 0.794 120 A CB -0.388 18.623 19.000 0.018 0.000 1.029 120 A HN 0.300 nan 8.150 nan 0.000 0.488 121 P HA 0.048 nan 4.420 nan 0.000 0.264 121 P C -0.148 177.169 177.300 0.027 0.000 1.179 121 P CA 0.233 63.337 63.100 0.007 0.000 0.763 121 P CB 0.361 32.055 31.700 -0.009 0.000 0.806 122 E N 1.367 121.588 120.200 0.035 0.000 2.371 122 E HA 0.025 4.375 4.350 0.000 0.000 0.257 122 E C 0.912 177.567 176.600 0.092 0.000 1.134 122 E CA -0.360 56.084 56.400 0.074 0.000 0.919 122 E CB 0.157 29.900 29.700 0.071 0.000 1.025 122 E HN 0.380 nan 8.360 nan 0.000 0.438 123 F N 2.031 121.981 119.950 -0.001 0.000 2.065 123 F HA -0.279 4.249 4.527 0.000 0.000 0.298 123 F C 2.015 177.814 175.800 -0.002 0.000 1.112 123 F CA 2.264 60.263 58.000 -0.001 0.000 1.212 123 F CB -0.473 38.526 39.000 -0.001 0.000 0.975 123 F HN 0.293 nan 8.300 nan 0.000 0.476 124 V N -1.503 118.466 119.914 0.091 0.000 2.828 124 V HA -0.229 3.891 4.120 0.000 0.000 0.260 124 V C 1.569 177.618 176.094 -0.075 0.000 1.101 124 V CA 2.084 64.380 62.300 -0.007 0.000 1.123 124 V CB -1.209 30.654 31.823 0.065 0.000 0.704 124 V HN 0.536 nan 8.190 nan 0.000 0.493 125 E N -0.320 119.842 120.200 -0.063 0.000 2.442 125 E HA 0.129 4.479 4.350 0.000 0.000 0.195 125 E C 0.719 177.260 176.600 -0.098 0.000 1.030 125 E CA -0.162 56.202 56.400 -0.061 0.000 0.869 125 E CB -0.098 29.584 29.700 -0.030 0.000 0.857 125 E HN 0.457 nan 8.360 nan 0.000 0.505 126 M N 1.185 120.685 119.600 -0.166 0.000 2.219 126 M HA 0.057 4.537 4.480 0.000 0.000 0.307 126 M C 0.512 176.720 176.300 -0.154 0.000 1.116 126 M CA 0.184 55.377 55.300 -0.179 0.000 1.181 126 M CB 0.562 32.992 32.600 -0.283 0.000 1.410 126 M HN -0.115 nan 8.290 nan 0.000 0.454 127 S N 0.360 115.989 115.700 -0.118 0.000 2.600 127 S HA 0.784 5.254 4.470 0.000 0.000 0.300 127 S C -0.145 174.406 174.600 -0.082 0.000 1.087 127 S CA -0.501 57.646 58.200 -0.088 0.000 0.965 127 S CB 1.415 64.579 63.200 -0.061 0.000 1.089 127 S HN 0.727 nan 8.310 nan 0.000 0.496 128 V N -0.362 119.513 119.914 -0.064 0.000 3.265 128 V HA 0.542 4.662 4.120 0.000 0.000 0.346 128 V C -0.389 175.686 176.094 -0.032 0.000 1.447 128 V CA -0.541 61.729 62.300 -0.050 0.000 1.179 128 V CB 0.098 31.889 31.823 -0.054 0.000 1.103 128 V HN 0.665 nan 8.190 nan 0.000 0.530 129 E N 2.347 122.530 120.200 -0.028 0.000 2.338 129 E HA 0.414 4.764 4.350 0.000 0.000 0.272 129 E C -0.429 176.165 176.600 -0.010 0.000 1.029 129 E CA 0.220 56.609 56.400 -0.017 0.000 0.872 129 E CB 1.173 30.864 29.700 -0.016 0.000 1.015 129 E HN 0.618 nan 8.360 nan 0.000 0.417 130 Q N 2.336 122.134 119.800 -0.003 0.000 2.401 130 Q HA 0.303 4.643 4.340 0.000 0.000 0.260 130 Q C -0.562 175.446 176.000 0.014 0.000 1.034 130 Q CA -0.258 55.547 55.803 0.005 0.000 0.737 130 Q CB 1.806 30.547 28.738 0.005 0.000 1.227 130 Q HN 0.428 nan 8.270 nan 0.000 0.488 131 E N 2.605 122.816 120.200 0.019 0.000 2.183 131 E HA 0.396 4.746 4.350 0.000 0.000 0.271 131 E C -0.831 175.795 176.600 0.043 0.000 0.919 131 E CA -0.660 55.757 56.400 0.028 0.000 0.781 131 E CB 1.871 31.586 29.700 0.024 0.000 1.140 131 E HN 0.543 nan 8.360 nan 0.000 0.402 132 I N 4.431 125.032 120.570 0.052 0.000 2.634 132 I HA 0.082 4.252 4.170 0.000 0.000 0.284 132 I C -0.895 175.266 176.117 0.074 0.000 1.124 132 I CA -0.331 61.010 61.300 0.070 0.000 1.417 132 I CB 0.507 38.556 38.000 0.081 0.000 1.396 132 I HN 0.450 nan 8.210 nan 0.000 0.571 133 L N 8.903 130.182 121.223 0.093 0.000 2.301 133 L HA 0.395 4.736 4.340 0.000 0.000 0.278 133 L C -0.837 176.077 176.870 0.073 0.000 1.022 133 L CA -0.317 54.579 54.840 0.094 0.000 0.854 133 L CB 1.121 43.258 42.059 0.130 0.000 1.226 133 L HN 0.347 nan 8.230 nan 0.000 0.429 134 V N 4.118 124.063 119.914 0.052 0.000 2.614 134 V HA 0.232 4.352 4.120 0.000 0.000 0.291 134 V C 1.376 177.475 176.094 0.008 0.000 1.049 134 V CA 0.596 62.909 62.300 0.023 0.000 1.038 134 V CB 1.047 32.886 31.823 0.028 0.000 0.980 134 V HN 0.923 nan 8.190 nan 0.000 0.481 135 T N -0.527 114.005 114.554 -0.038 0.000 2.971 135 T HA 0.325 4.676 4.350 0.000 0.000 0.252 135 T C 1.329 176.005 174.700 -0.039 0.000 1.022 135 T CA 0.782 62.859 62.100 -0.039 0.000 0.980 135 T CB 0.634 69.434 68.868 -0.112 0.000 1.044 135 T HN 1.522 nan 8.240 nan 0.000 0.501 136 G N 1.800 110.581 108.800 -0.031 0.000 2.175 136 G HA2 -0.159 3.801 3.960 0.000 0.000 0.244 136 G HA3 -0.159 3.801 3.960 0.000 0.000 0.244 136 G C 0.008 174.905 174.900 -0.005 0.000 0.982 136 G CA 0.016 45.107 45.100 -0.014 0.000 0.641 136 G HN 0.599 nan 8.290 nan 0.000 0.527 137 I N 1.483 122.041 120.570 -0.020 0.000 2.312 137 I HA 0.203 4.373 4.170 0.000 0.000 0.291 137 I C 1.614 177.736 176.117 0.009 0.000 1.031 137 I CA -0.347 60.974 61.300 0.035 0.000 1.293 137 I CB 1.090 39.104 38.000 0.023 0.000 1.403 137 I HN 0.085 nan 8.210 nan 0.000 0.484 138 K N 4.076 124.483 120.400 0.012 0.000 1.987 138 K HA -0.161 4.159 4.320 0.000 0.000 0.216 138 K C 1.833 178.432 176.600 -0.001 0.000 1.051 138 K CA 1.612 57.903 56.287 0.006 0.000 0.942 138 K CB -0.215 32.258 32.500 -0.046 0.000 0.722 138 K HN 0.570 nan 8.250 nan 0.000 0.444 139 V N 0.858 120.764 119.914 -0.012 0.000 2.282 139 V HA -0.245 3.876 4.120 0.000 0.000 0.249 139 V C 2.382 178.447 176.094 -0.048 0.000 1.057 139 V CA 1.747 64.021 62.300 -0.043 0.000 1.032 139 V CB -0.891 30.927 31.823 -0.008 0.000 0.645 139 V HN 0.086 nan 8.190 nan 0.000 0.447 140 V N 0.622 120.504 119.914 -0.053 0.000 2.223 140 V HA -0.254 3.866 4.120 0.000 0.000 0.244 140 V C 2.499 178.517 176.094 -0.127 0.000 1.045 140 V CA 2.500 64.718 62.300 -0.138 0.000 1.000 140 V CB -0.786 30.855 31.823 -0.303 0.000 0.635 140 V HN 0.516 nan 8.190 nan 0.000 0.445 141 D N -0.201 120.134 120.400 -0.108 0.000 2.126 141 D HA -0.200 4.441 4.640 0.000 0.000 0.190 141 D C 1.910 178.268 176.300 0.097 0.000 1.001 141 D CA 1.672 55.659 54.000 -0.022 0.000 0.841 141 D CB -0.461 40.325 40.800 -0.022 0.000 0.949 141 D HN 0.328 nan 8.370 nan 0.000 0.446 142 L N 0.159 121.410 121.223 0.046 0.000 1.988 142 L HA -0.087 4.253 4.340 0.000 0.000 0.207 142 L C 2.140 179.086 176.870 0.127 0.000 1.071 142 L CA 1.611 56.509 54.840 0.097 0.000 0.744 142 L CB -0.483 41.503 42.059 -0.121 0.000 0.893 142 L HN 0.028 nan 8.230 nan 0.000 0.433 143 L N -1.083 120.129 121.223 -0.018 0.000 2.298 143 L HA 0.240 4.580 4.340 0.000 0.000 0.209 143 L C 0.972 177.827 176.870 -0.024 0.000 1.084 143 L CA 0.581 55.390 54.840 -0.050 0.000 0.816 143 L CB -0.247 41.761 42.059 -0.084 0.000 0.967 143 L HN 0.330 nan 8.230 nan 0.000 0.460 144 A N 0.216 123.038 122.820 0.005 0.000 3.410 144 A HA 0.402 4.722 4.320 0.000 0.000 0.276 144 A C -2.554 175.078 177.584 0.079 0.000 0.995 144 A CA -0.945 51.123 52.037 0.052 0.000 0.934 144 A CB -0.296 18.761 19.000 0.095 0.000 1.191 144 A HN -0.134 nan 8.150 nan 0.000 0.511 145 P HA -0.010 nan 4.420 nan 0.000 0.263 145 P C -0.507 176.903 177.300 0.182 0.000 1.175 145 P CA 0.737 63.860 63.100 0.039 0.000 0.761 145 P CB 0.425 32.159 31.700 0.057 0.000 0.794 146 Y N 1.362 121.687 120.300 0.041 0.000 2.286 146 Y HA 0.517 5.068 4.550 0.000 0.000 0.347 146 Y C 1.051 176.962 175.900 0.018 0.000 1.351 146 Y CA -1.561 56.554 58.100 0.025 0.000 1.640 146 Y CB -0.051 38.420 38.460 0.019 0.000 1.560 146 Y HN 0.450 nan 8.280 nan 0.000 0.574 147 A N 0.467 123.391 122.820 0.173 0.000 2.488 147 A HA 0.469 4.790 4.320 0.000 0.000 0.298 147 A C -0.912 176.699 177.584 0.044 0.000 1.044 147 A CA -1.159 50.930 52.037 0.087 0.000 0.693 147 A CB 0.974 20.007 19.000 0.055 0.000 1.272 147 A HN 0.644 nan 8.150 nan 0.000 0.402 148 K N 0.862 121.285 120.400 0.039 0.000 2.524 148 K HA 0.298 4.618 4.320 0.000 0.000 0.279 148 K C 1.233 177.829 176.600 -0.006 0.000 0.993 148 K CA 1.178 57.475 56.287 0.017 0.000 1.030 148 K CB 0.225 32.741 32.500 0.026 0.000 0.891 148 K HN 1.817 nan 8.250 nan 0.000 0.488 149 G N 1.886 110.669 108.800 -0.028 0.000 2.175 149 G HA2 -0.287 3.673 3.960 0.000 0.000 0.265 149 G HA3 -0.287 3.673 3.960 0.000 0.000 0.265 149 G C 0.518 175.387 174.900 -0.052 0.000 0.979 149 G CA 0.307 45.382 45.100 -0.041 0.000 0.663 149 G HN 0.887 nan 8.290 nan 0.000 0.533 150 G N -0.880 107.888 108.800 -0.053 0.000 2.557 150 G HA2 0.577 4.537 3.960 0.000 0.000 0.292 150 G HA3 0.577 4.537 3.960 0.000 0.000 0.292 150 G C -0.202 174.638 174.900 -0.101 0.000 1.237 150 G CA -0.667 44.398 45.100 -0.057 0.000 0.978 150 G HN 0.345 nan 8.290 nan 0.000 0.498 151 K N 0.164 120.508 120.400 -0.093 0.000 2.316 151 K HA 0.409 4.729 4.320 0.000 0.000 0.267 151 K C -0.727 175.780 176.600 -0.155 0.000 1.025 151 K CA -0.162 56.051 56.287 -0.123 0.000 0.896 151 K CB 1.532 33.988 32.500 -0.072 0.000 1.124 151 K HN 0.275 nan 8.250 nan 0.000 0.451 152 I N 1.106 121.519 120.570 -0.262 0.000 2.525 152 I HA 0.456 4.626 4.170 0.000 0.000 0.301 152 I C 0.472 176.429 176.117 -0.266 0.000 0.992 152 I CA -0.662 60.421 61.300 -0.362 0.000 1.162 152 I CB 2.077 39.614 38.000 -0.773 0.000 1.332 152 I HN 0.573 nan 8.210 nan 0.000 0.458 153 G N 5.724 114.419 108.800 -0.175 0.000 2.687 153 G HA2 0.686 4.646 3.960 0.000 0.000 0.301 153 G HA3 0.686 4.646 3.960 0.000 0.000 0.301 153 G C -1.203 173.648 174.900 -0.082 0.000 1.416 153 G CA -0.547 44.441 45.100 -0.187 0.000 1.005 153 G HN 0.437 nan 8.290 nan 0.000 0.509 154 L N 2.055 123.197 121.223 -0.135 0.000 2.295 154 L HA 0.454 4.795 4.340 0.000 0.000 0.281 154 L C -0.809 176.017 176.870 -0.073 0.000 1.018 154 L CA -0.653 54.199 54.840 0.021 0.000 0.841 154 L CB 0.919 43.017 42.059 0.064 0.000 1.218 154 L HN 0.318 nan 8.230 nan 0.000 0.424 155 F N 1.547 121.486 119.950 -0.018 0.000 2.410 155 F HA 0.657 5.184 4.527 0.000 0.000 0.348 155 F C 1.023 176.805 175.800 -0.029 0.000 1.106 155 F CA -0.163 57.803 58.000 -0.057 0.000 1.163 155 F CB 1.758 40.716 39.000 -0.070 0.000 1.129 155 F HN 0.441 nan 8.300 nan 0.000 0.516 156 G N 1.546 110.380 108.800 0.056 0.000 2.766 156 G HA2 0.504 4.464 3.960 0.000 0.000 0.297 156 G HA3 0.504 4.464 3.960 0.000 0.000 0.297 156 G C -0.539 174.281 174.900 -0.132 0.000 1.431 156 G CA -0.548 44.562 45.100 0.017 0.000 1.042 156 G HN 0.935 nan 8.290 nan 0.000 0.542 157 G N -0.041 108.675 108.800 -0.141 0.000 2.611 157 G HA2 0.653 4.613 3.960 0.000 0.000 0.273 157 G HA3 0.653 4.613 3.960 0.000 0.000 0.273 157 G C 0.787 175.611 174.900 -0.127 0.000 1.305 157 G CA 0.318 45.245 45.100 -0.287 0.000 1.010 157 G HN 1.556 nan 8.290 nan 0.000 0.509 158 A N -1.347 121.477 122.820 0.007 0.000 2.540 158 A HA 0.501 4.821 4.320 0.000 0.000 0.239 158 A C 1.600 179.265 177.584 0.135 0.000 1.061 158 A CA 1.055 53.247 52.037 0.260 0.000 0.758 158 A CB -0.551 18.641 19.000 0.320 0.000 0.991 158 A HN 2.573 nan 8.150 nan 0.000 0.502 159 G N 1.114 109.994 108.800 0.134 0.000 2.305 159 G HA2 -0.183 3.777 3.960 0.000 0.000 0.287 159 G HA3 -0.183 3.777 3.960 0.000 0.000 0.287 159 G C 0.485 175.434 174.900 0.082 0.000 1.036 159 G CA 0.450 45.602 45.100 0.086 0.000 0.887 159 G HN 1.316 nan 8.290 nan 0.000 0.505 160 V N -1.282 118.691 119.914 0.098 0.000 3.307 160 V HA 0.531 4.652 4.120 0.000 0.000 0.253 160 V C 2.096 178.287 176.094 0.161 0.000 1.149 160 V CA 1.536 63.908 62.300 0.120 0.000 1.112 160 V CB 0.409 32.280 31.823 0.081 0.000 0.777 160 V HN 1.751 nan 8.190 nan 0.000 0.464 161 G N -0.003 108.877 108.800 0.133 0.000 2.507 161 G HA2 -0.131 3.830 3.960 0.000 0.000 0.205 161 G HA3 -0.131 3.830 3.960 0.000 0.000 0.205 161 G C 0.730 175.726 174.900 0.159 0.000 0.996 161 G CA 0.170 45.361 45.100 0.151 0.000 0.776 161 G HN 0.353 nan 8.290 nan 0.000 0.532 162 K N 0.260 120.743 120.400 0.138 0.000 2.009 162 K HA -0.068 4.252 4.320 0.000 0.000 0.210 162 K C 2.464 179.149 176.600 0.142 0.000 1.049 162 K CA 2.009 58.377 56.287 0.135 0.000 0.929 162 K CB -0.373 32.197 32.500 0.116 0.000 0.714 162 K HN 0.235 nan 8.250 nan 0.000 0.440 163 T N 1.125 115.762 114.554 0.137 0.000 2.777 163 T HA -0.085 4.265 4.350 0.000 0.000 0.266 163 T C 2.075 176.853 174.700 0.130 0.000 1.040 163 T CA 1.051 63.236 62.100 0.141 0.000 1.141 163 T CB -0.167 68.782 68.868 0.134 0.000 0.868 163 T HN -0.050 nan 8.240 nan 0.000 0.444 164 V N 1.508 121.501 119.914 0.133 0.000 2.407 164 V HA -0.104 4.017 4.120 0.000 0.000 0.248 164 V C 2.367 178.568 176.094 0.178 0.000 1.055 164 V CA 1.226 63.620 62.300 0.156 0.000 1.049 164 V CB -0.572 31.349 31.823 0.163 0.000 0.662 164 V HN 0.327 nan 8.190 nan 0.000 0.455 165 L N -0.424 120.927 121.223 0.213 0.000 2.093 165 L HA -0.072 4.268 4.340 0.000 0.000 0.208 165 L C 2.096 179.022 176.870 0.092 0.000 1.085 165 L CA 1.737 56.685 54.840 0.181 0.000 0.755 165 L CB -0.476 41.735 42.059 0.254 0.000 0.904 165 L HN 0.198 nan 8.230 nan 0.000 0.435 166 I N -1.271 119.373 120.570 0.124 0.000 2.226 166 I HA -0.305 3.866 4.170 0.000 0.000 0.245 166 I C 2.257 178.372 176.117 -0.002 0.000 1.100 166 I CA 0.957 62.332 61.300 0.126 0.000 1.374 166 I CB -0.116 37.997 38.000 0.188 0.000 1.057 166 I HN 0.305 nan 8.210 nan 0.000 0.413 167 M N -0.191 119.407 119.600 -0.003 0.000 2.067 167 M HA -0.239 4.241 4.480 0.000 0.000 0.260 167 M C 2.221 178.457 176.300 -0.108 0.000 1.069 167 M CA 1.730 56.992 55.300 -0.062 0.000 1.117 167 M CB -1.420 31.174 32.600 -0.009 0.000 1.334 167 M HN 0.110 nan 8.290 nan 0.000 0.407 168 E N 0.728 120.842 120.200 -0.144 0.000 2.118 168 E HA -0.139 4.211 4.350 0.000 0.000 0.195 168 E C 2.049 178.521 176.600 -0.214 0.000 0.992 168 E CA 1.254 57.481 56.400 -0.288 0.000 0.804 168 E CB -0.319 28.915 29.700 -0.776 0.000 0.741 168 E HN 0.481 nan 8.360 nan 0.000 0.458 169 L N -0.173 120.977 121.223 -0.121 0.000 2.093 169 L HA -0.110 4.230 4.340 0.000 0.000 0.208 169 L C 2.437 179.315 176.870 0.014 0.000 1.085 169 L CA 0.852 55.701 54.840 0.016 0.000 0.755 169 L CB -0.306 41.872 42.059 0.198 0.000 0.904 169 L HN 0.218 nan 8.230 nan 0.000 0.435 170 I N 0.019 120.497 120.570 -0.154 0.000 2.208 170 I HA -0.345 3.825 4.170 0.000 0.000 0.245 170 I C 2.295 178.351 176.117 -0.103 0.000 1.097 170 I CA 1.694 62.822 61.300 -0.287 0.000 1.363 170 I CB -0.278 37.438 38.000 -0.474 0.000 1.051 170 I HN 0.384 nan 8.210 nan 0.000 0.413 171 N N 1.092 119.734 118.700 -0.096 0.000 2.028 171 N HA -0.206 4.534 4.740 0.000 0.000 0.194 171 N C 1.579 177.071 175.510 -0.029 0.000 1.050 171 N CA 1.806 54.821 53.050 -0.059 0.000 0.848 171 N CB -0.052 38.393 38.487 -0.070 0.000 1.038 171 N HN 0.128 nan 8.380 nan 0.000 0.423 172 N N -0.923 117.754 118.700 -0.038 0.000 2.364 172 N HA -0.058 4.682 4.740 0.000 0.000 0.183 172 N C 1.009 176.536 175.510 0.028 0.000 1.022 172 N CA 0.689 53.730 53.050 -0.016 0.000 0.883 172 N CB 0.173 38.632 38.487 -0.047 0.000 0.965 172 N HN 0.181 nan 8.380 nan 0.000 0.438 173 V N -0.807 119.143 119.914 0.061 0.000 3.054 173 V HA 0.258 4.378 4.120 0.000 0.000 0.227 173 V C 1.955 178.128 176.094 0.131 0.000 1.252 173 V CA 0.785 63.147 62.300 0.104 0.000 1.279 173 V CB -0.617 31.290 31.823 0.140 0.000 1.118 173 V HN 0.135 nan 8.190 nan 0.000 0.504 174 A N 0.236 123.149 122.820 0.154 0.000 1.908 174 A HA -0.232 4.088 4.320 0.000 0.000 0.218 174 A C 2.146 179.816 177.584 0.143 0.000 1.181 174 A CA 2.095 54.235 52.037 0.172 0.000 0.627 174 A CB -0.491 18.602 19.000 0.155 0.000 0.818 174 A HN 0.474 nan 8.150 nan 0.000 0.445 175 K N -0.599 119.848 120.400 0.078 0.000 2.074 175 K HA -0.117 4.203 4.320 0.000 0.000 0.209 175 K C 1.160 177.803 176.600 0.071 0.000 1.048 175 K CA 1.302 57.623 56.287 0.058 0.000 0.926 175 K CB -0.275 32.238 32.500 0.022 0.000 0.713 175 K HN 0.426 nan 8.250 nan 0.000 0.444 176 A N 1.579 124.449 122.820 0.083 0.000 3.264 176 A HA 0.085 4.406 4.320 0.000 0.000 0.299 176 A C -0.836 176.814 177.584 0.110 0.000 1.272 176 A CA -0.384 51.695 52.037 0.070 0.000 1.030 176 A CB -0.460 18.567 19.000 0.046 0.000 1.102 176 A HN 0.290 nan 8.150 nan 0.000 0.615 177 H N -0.314 118.769 119.070 0.022 0.000 2.481 177 H HA 0.573 5.129 4.556 0.000 0.000 0.333 177 H C 0.411 175.728 175.328 -0.018 0.000 1.066 177 H CA 0.090 56.146 56.048 0.013 0.000 1.209 177 H CB 1.339 31.126 29.762 0.041 0.000 1.445 177 H HN 0.248 nan 8.280 nan 0.000 0.488 178 G N 3.030 111.540 108.800 -0.484 0.000 2.338 178 G HA2 0.526 4.486 3.960 0.000 0.000 0.295 178 G HA3 0.526 4.486 3.960 0.000 0.000 0.295 178 G C -0.115 174.283 174.900 -0.837 0.000 1.132 178 G CA 0.258 45.081 45.100 -0.462 0.000 0.922 178 G HN 1.054 nan 8.290 nan 0.000 0.427 179 G N 1.200 109.606 108.800 -0.655 0.000 2.354 179 G HA2 0.196 4.156 3.960 0.000 0.000 0.582 179 G HA3 0.196 4.156 3.960 0.000 0.000 0.582 179 G C -1.106 173.600 174.900 -0.324 0.000 1.316 179 G CA -1.058 43.646 45.100 -0.661 0.000 0.995 179 G HN 0.553 nan 8.290 nan 0.000 0.573 180 Y N -0.035 120.254 120.300 -0.017 0.000 2.480 180 Y HA 0.830 5.380 4.550 0.000 0.000 0.323 180 Y C 1.104 177.062 175.900 0.097 0.000 1.267 180 Y CA -0.853 57.207 58.100 -0.068 0.000 1.336 180 Y CB 1.757 39.921 38.460 -0.493 0.000 1.361 180 Y HN 0.618 nan 8.280 nan 0.000 0.518 181 S N -0.246 115.612 115.700 0.262 0.000 2.546 181 S HA 0.742 5.212 4.470 0.000 0.000 0.274 181 S C -1.578 173.159 174.600 0.227 0.000 1.121 181 S CA -0.789 57.552 58.200 0.235 0.000 0.887 181 S CB 2.049 65.422 63.200 0.288 0.000 1.094 181 S HN 0.272 nan 8.310 nan 0.000 0.474 182 V N 2.797 122.849 119.914 0.231 0.000 2.569 182 V HA 0.498 4.618 4.120 0.000 0.000 0.301 182 V C -1.370 174.860 176.094 0.226 0.000 1.044 182 V CA -0.614 61.809 62.300 0.205 0.000 0.874 182 V CB 1.351 33.263 31.823 0.149 0.000 1.002 182 V HN 0.848 nan 8.190 nan 0.000 0.424 183 F N 4.352 124.354 119.950 0.087 0.000 2.411 183 F HA 0.798 5.325 4.527 0.000 0.000 0.352 183 F C 0.300 176.020 175.800 -0.134 0.000 1.123 183 F CA -0.535 57.490 58.000 0.043 0.000 1.044 183 F CB 1.270 40.281 39.000 0.019 0.000 1.135 183 F HN 0.566 nan 8.300 nan 0.000 0.461 184 A N 4.721 127.225 122.820 -0.526 0.000 2.285 184 A HA 0.636 4.956 4.320 0.000 0.000 0.310 184 A C -0.078 177.195 177.584 -0.519 0.000 1.266 184 A CA -0.364 51.430 52.037 -0.404 0.000 0.832 184 A CB 0.250 19.082 19.000 -0.280 0.000 1.163 184 A HN 1.019 nan 8.150 nan 0.000 0.499 185 G N 1.483 109.992 108.800 -0.484 0.000 2.350 185 G HA2 0.505 4.465 3.960 0.000 0.000 0.306 185 G HA3 0.505 4.465 3.960 0.000 0.000 0.306 185 G C -0.543 174.338 174.900 -0.032 0.000 1.094 185 G CA -0.173 44.839 45.100 -0.146 0.000 0.953 185 G HN 0.754 nan 8.290 nan 0.000 0.420 186 V N 2.503 122.413 119.914 -0.006 0.000 2.384 186 V HA 0.629 4.749 4.120 0.000 0.000 0.287 186 V C 1.217 177.352 176.094 0.068 0.000 1.020 186 V CA 0.205 62.520 62.300 0.026 0.000 0.850 186 V CB 0.926 32.749 31.823 0.000 0.000 0.987 186 V HN 1.313 nan 8.190 nan 0.000 0.436 187 G N 3.098 111.943 108.800 0.075 0.000 2.269 187 G HA2 -0.208 3.752 3.960 0.000 0.000 0.277 187 G HA3 -0.208 3.752 3.960 0.000 0.000 0.277 187 G C 0.270 175.213 174.900 0.072 0.000 1.008 187 G CA 0.726 45.864 45.100 0.063 0.000 0.774 187 G HN 0.641 nan 8.290 nan 0.000 0.511 188 E N -0.661 119.607 120.200 0.113 0.000 3.232 188 E HA 0.455 4.805 4.350 0.000 0.000 0.248 188 E C 0.905 177.568 176.600 0.105 0.000 1.048 188 E CA -0.867 55.600 56.400 0.111 0.000 1.204 188 E CB 0.546 30.337 29.700 0.151 0.000 1.535 188 E HN 0.398 nan 8.360 nan 0.000 0.567 189 R N 0.101 120.662 120.500 0.101 0.000 2.390 189 R HA 0.208 4.548 4.340 0.000 0.000 0.291 189 R C 1.277 177.612 176.300 0.059 0.000 1.070 189 R CA 0.037 56.178 56.100 0.068 0.000 1.014 189 R CB 0.392 30.727 30.300 0.057 0.000 1.007 189 R HN 0.396 nan 8.270 nan 0.000 0.466 190 T N 2.265 116.831 114.554 0.020 0.000 2.746 190 T HA -0.186 4.164 4.350 0.000 0.000 0.267 190 T C 1.769 176.437 174.700 -0.053 0.000 1.039 190 T CA 1.598 63.676 62.100 -0.036 0.000 1.142 190 T CB -0.153 68.692 68.868 -0.037 0.000 0.866 190 T HN 0.628 nan 8.240 nan 0.000 0.444 191 R N 1.612 122.104 120.500 -0.012 0.000 2.139 191 R HA -0.135 4.205 4.340 0.000 0.000 0.243 191 R C 1.941 178.243 176.300 0.003 0.000 1.145 191 R CA 1.822 57.921 56.100 -0.002 0.000 0.976 191 R CB -0.298 30.011 30.300 0.015 0.000 0.866 191 R HN 0.439 nan 8.270 nan 0.000 0.449 192 E N -0.080 120.130 120.200 0.017 0.000 2.072 192 E HA -0.072 4.278 4.350 0.000 0.000 0.190 192 E C 2.037 178.633 176.600 -0.007 0.000 0.982 192 E CA 1.019 57.440 56.400 0.036 0.000 0.803 192 E CB -0.177 29.577 29.700 0.090 0.000 0.755 192 E HN 0.641 nan 8.360 nan 0.000 0.453 193 G N 1.211 109.958 108.800 -0.089 0.000 2.446 193 G HA2 -0.364 3.596 3.960 0.000 0.000 0.217 193 G HA3 -0.364 3.596 3.960 0.000 0.000 0.217 193 G C 1.409 176.174 174.900 -0.225 0.000 1.168 193 G CA 1.196 46.066 45.100 -0.384 0.000 0.771 193 G HN 0.230 nan 8.290 nan 0.000 0.551 194 N N 0.448 119.070 118.700 -0.129 0.000 2.188 194 N HA -0.098 4.642 4.740 0.000 0.000 0.184 194 N C 1.707 177.311 175.510 0.157 0.000 1.018 194 N CA 1.517 54.598 53.050 0.053 0.000 0.858 194 N CB -0.126 38.401 38.487 0.065 0.000 0.989 194 N HN 0.113 nan 8.380 nan 0.000 0.426 195 D N -0.061 120.381 120.400 0.069 0.000 2.144 195 D HA -0.137 4.504 4.640 0.000 0.000 0.199 195 D C 1.860 178.186 176.300 0.044 0.000 0.984 195 D CA 0.612 54.650 54.000 0.063 0.000 0.834 195 D CB -0.253 40.565 40.800 0.031 0.000 0.955 195 D HN 0.291 nan 8.370 nan 0.000 0.465 196 L N -0.207 121.012 121.223 -0.006 0.000 2.023 196 L HA -0.140 4.200 4.340 0.000 0.000 0.205 196 L C 2.268 179.128 176.870 -0.017 0.000 1.073 196 L CA 1.336 56.134 54.840 -0.069 0.000 0.745 196 L CB -0.794 41.141 42.059 -0.207 0.000 0.900 196 L HN -0.030 nan 8.230 nan 0.000 0.435 197 Y N 0.374 120.588 120.300 -0.143 0.000 2.053 197 Y HA -0.365 4.185 4.550 0.000 0.000 0.277 197 Y C 2.659 178.436 175.900 -0.205 0.000 1.159 197 Y CA 2.419 60.405 58.100 -0.191 0.000 1.125 197 Y CB -0.918 37.363 38.460 -0.298 0.000 0.969 197 Y HN 0.442 nan 8.280 nan 0.000 0.492 198 H N -0.737 118.255 119.070 -0.129 0.000 2.421 198 H HA -0.116 4.440 4.556 0.000 0.000 0.298 198 H C 2.271 177.503 175.328 -0.161 0.000 1.087 198 H CA 1.584 57.502 56.048 -0.217 0.000 1.330 198 H CB -0.060 29.647 29.762 -0.092 0.000 1.388 198 H HN 0.519 nan 8.280 nan 0.000 0.526 199 E N 0.103 120.302 120.200 -0.002 0.000 2.107 199 E HA -0.183 4.167 4.350 0.000 0.000 0.191 199 E C 1.948 178.509 176.600 -0.065 0.000 0.982 199 E CA 0.736 57.118 56.400 -0.030 0.000 0.809 199 E CB 0.056 29.738 29.700 -0.030 0.000 0.756 199 E HN 0.299 nan 8.360 nan 0.000 0.459 200 M N 0.360 119.905 119.600 -0.092 0.000 2.175 200 M HA -0.071 4.409 4.480 0.000 0.000 0.264 200 M C 1.858 178.092 176.300 -0.109 0.000 1.063 200 M CA 1.166 56.413 55.300 -0.087 0.000 1.119 200 M CB -0.028 32.530 32.600 -0.071 0.000 1.377 200 M HN 0.157 nan 8.290 nan 0.000 0.415 201 I N -0.484 119.970 120.570 -0.193 0.000 2.142 201 I HA -0.325 3.845 4.170 0.000 0.000 0.240 201 I C 2.349 178.405 176.117 -0.103 0.000 1.078 201 I CA 1.681 62.864 61.300 -0.194 0.000 1.343 201 I CB -0.359 37.456 38.000 -0.308 0.000 1.046 201 I HN 0.370 nan 8.210 nan 0.000 0.405 202 E N 0.409 120.561 120.200 -0.080 0.000 2.097 202 E HA -0.266 4.084 4.350 0.000 0.000 0.196 202 E C 1.974 178.551 176.600 -0.039 0.000 1.000 202 E CA 1.773 58.145 56.400 -0.048 0.000 0.804 202 E CB 0.003 29.682 29.700 -0.035 0.000 0.740 202 E HN 0.514 nan 8.360 nan 0.000 0.454 203 S N -1.320 114.357 115.700 -0.039 0.000 2.593 203 S HA 0.176 4.646 4.470 0.000 0.000 0.217 203 S C 1.344 175.930 174.600 -0.023 0.000 0.966 203 S CA 0.408 58.591 58.200 -0.027 0.000 0.914 203 S CB 0.509 63.694 63.200 -0.026 0.000 0.776 203 S HN 0.474 nan 8.310 nan 0.000 0.523 204 G N 0.971 109.752 108.800 -0.032 0.000 2.160 204 G HA2 -0.324 3.636 3.960 0.000 0.000 0.251 204 G HA3 -0.324 3.636 3.960 0.000 0.000 0.251 204 G C 0.722 175.613 174.900 -0.015 0.000 1.008 204 G CA 0.577 45.662 45.100 -0.025 0.000 0.724 204 G HN 1.440 nan 8.290 nan 0.000 0.514 205 V N -2.594 117.311 119.914 -0.015 0.000 2.951 205 V HA 0.432 4.553 4.120 0.000 0.000 0.255 205 V C 1.105 177.204 176.094 0.008 0.000 1.088 205 V CA 0.766 63.071 62.300 0.009 0.000 1.109 205 V CB -0.029 31.808 31.823 0.023 0.000 0.724 205 V HN 0.344 nan 8.190 nan 0.000 0.471 206 I N 2.959 123.516 120.570 -0.021 0.000 2.362 206 I HA 0.514 4.684 4.170 0.000 0.000 0.289 206 I C -0.780 175.310 176.117 -0.044 0.000 0.994 206 I CA -0.054 61.230 61.300 -0.026 0.000 1.158 206 I CB 1.111 39.069 38.000 -0.069 0.000 1.315 206 I HN 0.288 nan 8.210 nan 0.000 0.451 207 N N 6.855 125.543 118.700 -0.021 0.000 2.442 207 N HA 0.360 5.101 4.740 0.000 0.000 0.274 207 N C -0.007 175.495 175.510 -0.013 0.000 1.002 207 N CA -0.443 52.594 53.050 -0.021 0.000 0.910 207 N CB 1.601 40.083 38.487 -0.008 0.000 1.244 207 N HN 0.479 nan 8.380 nan 0.000 0.492 208 L N 2.480 123.690 121.223 -0.022 0.000 2.591 208 L HA 0.213 4.553 4.340 0.000 0.000 0.228 208 L C 1.741 178.612 176.870 0.002 0.000 1.133 208 L CA 0.291 55.128 54.840 -0.005 0.000 0.880 208 L CB 0.030 42.084 42.059 -0.009 0.000 1.033 208 L HN 0.343 nan 8.230 nan 0.000 0.450 209 K N -0.454 119.945 120.400 -0.002 0.000 2.225 209 K HA 0.206 4.527 4.320 0.000 0.000 0.204 209 K C 0.216 176.819 176.600 0.005 0.000 1.047 209 K CA 0.567 56.855 56.287 0.001 0.000 0.970 209 K CB 0.359 32.858 32.500 -0.002 0.000 0.939 209 K HN 0.161 nan 8.250 nan 0.000 0.472 210 D N -0.067 120.336 120.400 0.005 0.000 2.494 210 D HA 0.323 4.963 4.640 0.000 0.000 0.259 210 D C -0.615 175.691 176.300 0.011 0.000 1.109 210 D CA -0.606 53.399 54.000 0.008 0.000 1.040 210 D CB 0.945 41.751 40.800 0.009 0.000 1.175 210 D HN -0.032 nan 8.370 nan 0.000 0.584 211 A N 0.165 122.994 122.820 0.014 0.000 3.095 211 A HA 0.433 4.753 4.320 0.000 0.000 0.301 211 A C 0.509 178.107 177.584 0.025 0.000 1.432 211 A CA -0.373 51.675 52.037 0.018 0.000 1.140 211 A CB -0.747 18.265 19.000 0.020 0.000 1.174 211 A HN 0.506 nan 8.150 nan 0.000 0.546 212 T N -3.134 111.433 114.554 0.022 0.000 3.192 212 T HA 0.208 4.558 4.350 0.000 0.000 0.295 212 T C 0.397 175.118 174.700 0.035 0.000 0.947 212 T CA 0.101 62.220 62.100 0.031 0.000 0.916 212 T CB -0.240 68.640 68.868 0.020 0.000 1.169 212 T HN 0.244 nan 8.240 nan 0.000 0.540 213 S N 1.886 117.601 115.700 0.024 0.000 2.562 213 S HA 0.331 4.801 4.470 0.000 0.000 0.281 213 S C 0.693 175.315 174.600 0.037 0.000 1.333 213 S CA -0.443 57.771 58.200 0.024 0.000 1.052 213 S CB 1.201 64.410 63.200 0.015 0.000 0.884 213 S HN 0.360 nan 8.310 nan 0.000 0.506 214 K N 1.085 121.524 120.400 0.066 0.000 2.387 214 K HA 0.272 4.592 4.320 0.000 0.000 0.203 214 K C -0.899 175.766 176.600 0.108 0.000 1.030 214 K CA 0.094 56.461 56.287 0.133 0.000 1.099 214 K CB 0.709 33.303 32.500 0.157 0.000 0.863 214 K HN 0.372 nan 8.250 nan 0.000 0.529 215 V N 0.877 120.830 119.914 0.065 0.000 2.588 215 V HA 0.634 4.754 4.120 0.000 0.000 0.304 215 V C -0.720 175.427 176.094 0.089 0.000 1.042 215 V CA -1.375 60.982 62.300 0.096 0.000 0.877 215 V CB 1.645 33.536 31.823 0.113 0.000 0.996 215 V HN 0.060 nan 8.190 nan 0.000 0.425 216 A N 5.461 128.353 122.820 0.120 0.000 2.317 216 A HA 0.918 5.238 4.320 0.000 0.000 0.327 216 A C -0.830 176.841 177.584 0.145 0.000 1.178 216 A CA -0.543 51.569 52.037 0.125 0.000 0.817 216 A CB 0.819 19.913 19.000 0.157 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.681 123.987 121.223 0.138 0.000 2.322 217 L HA 0.656 4.996 4.340 0.000 0.000 0.281 217 L C -0.898 176.036 176.870 0.107 0.000 1.014 217 L CA -0.916 54.021 54.840 0.162 0.000 0.815 217 L CB 1.780 43.998 42.059 0.266 0.000 1.247 217 L HN 0.414 nan 8.230 nan 0.000 0.421 218 V N 2.731 122.637 119.914 -0.013 0.000 2.656 218 V HA 0.528 4.648 4.120 0.000 0.000 0.307 218 V C -1.258 174.730 176.094 -0.177 0.000 1.051 218 V CA -0.674 61.611 62.300 -0.025 0.000 0.893 218 V CB 2.064 33.859 31.823 -0.046 0.000 0.999 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.075 121.400 120.300 0.042 0.000 2.504 219 Y HA 0.741 5.291 4.550 0.000 0.000 0.344 219 Y C 0.447 176.364 175.900 0.028 0.000 1.023 219 Y CA -0.636 57.494 58.100 0.050 0.000 1.020 219 Y CB 2.892 41.372 38.460 0.034 0.000 1.282 219 Y HN 0.717 nan 8.280 nan 0.000 0.454 220 G N 3.235 112.151 108.800 0.194 0.000 3.582 220 G HA2 0.277 4.237 3.960 0.000 0.000 0.302 220 G HA3 0.277 4.237 3.960 0.000 0.000 0.302 220 G C -1.032 173.940 174.900 0.120 0.000 1.418 220 G CA -0.580 44.590 45.100 0.117 0.000 0.718 220 G HN 0.277 nan 8.290 nan 0.000 0.479 221 Q N 0.755 120.638 119.800 0.138 0.000 2.397 221 Q HA 0.299 4.639 4.340 0.000 0.000 0.193 221 Q C 1.903 177.942 176.000 0.066 0.000 1.083 221 Q CA -0.671 55.202 55.803 0.117 0.000 1.108 221 Q CB 0.648 29.457 28.738 0.118 0.000 1.172 221 Q HN 0.475 nan 8.270 nan 0.000 0.617 222 M N 0.848 120.481 119.600 0.055 0.000 2.426 222 M HA -0.224 4.257 4.480 0.000 0.000 0.261 222 M C 1.182 177.494 176.300 0.021 0.000 1.068 222 M CA 1.632 56.950 55.300 0.031 0.000 1.066 222 M CB -0.441 32.174 32.600 0.025 0.000 1.399 222 M HN 0.598 nan 8.290 nan 0.000 0.449 223 N N -1.071 117.642 118.700 0.023 0.000 2.299 223 N HA 0.031 4.772 4.740 0.000 0.000 0.187 223 N C -0.135 175.383 175.510 0.014 0.000 1.099 223 N CA -0.238 52.821 53.050 0.015 0.000 0.867 223 N CB 0.226 38.720 38.487 0.011 0.000 0.974 223 N HN 0.151 nan 8.380 nan 0.000 0.477 224 E N 1.815 122.027 120.200 0.020 0.000 2.349 224 E HA 0.256 4.607 4.350 0.000 0.000 0.262 224 E C -2.248 174.357 176.600 0.009 0.000 1.088 224 E CA -1.987 54.423 56.400 0.017 0.000 0.899 224 E CB 0.325 30.040 29.700 0.026 0.000 1.044 224 E HN 0.143 nan 8.360 nan 0.000 0.420 225 P HA 0.057 nan 4.420 nan 0.000 0.272 225 P C -1.891 175.406 177.300 -0.005 0.000 1.230 225 P CA -1.125 61.975 63.100 -0.000 0.000 0.788 225 P CB -0.088 31.612 31.700 0.001 0.000 0.949 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.609 178.891 177.300 -0.029 0.000 1.162 226 P CA 2.368 65.450 63.100 -0.030 0.000 0.901 226 P CB -0.802 30.875 31.700 -0.039 0.000 0.793 227 G N 0.053 108.843 108.800 -0.017 0.000 2.469 227 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 227 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 227 G C 1.820 176.724 174.900 0.007 0.000 1.136 227 G CA 1.278 46.373 45.100 -0.007 0.000 0.759 227 G HN 0.439 nan 8.290 nan 0.000 0.562 228 A N 0.464 123.290 122.820 0.011 0.000 1.898 228 A HA 0.083 4.403 4.320 0.000 0.000 0.216 228 A C 2.410 180.010 177.584 0.027 0.000 1.181 228 A CA 1.513 53.563 52.037 0.022 0.000 0.620 228 A CB -0.347 18.668 19.000 0.024 0.000 0.819 228 A HN 0.329 nan 8.150 nan 0.000 0.442 229 R N -0.681 119.828 120.500 0.016 0.000 2.148 229 R HA 0.002 4.342 4.340 0.000 0.000 0.227 229 R C 2.234 178.552 176.300 0.031 0.000 1.103 229 R CA 0.960 57.073 56.100 0.022 0.000 0.983 229 R CB -0.281 30.019 30.300 -0.000 0.000 0.874 229 R HN 0.509 nan 8.270 nan 0.000 0.451 230 A N 0.421 123.235 122.820 -0.009 0.000 2.066 230 A HA -0.048 4.272 4.320 0.000 0.000 0.218 230 A C 1.741 179.388 177.584 0.105 0.000 1.157 230 A CA 0.895 52.903 52.037 -0.049 0.000 0.670 230 A CB 0.065 18.996 19.000 -0.115 0.000 0.804 230 A HN 0.101 nan 8.150 nan 0.000 0.453 231 R N -0.851 119.700 120.500 0.086 0.000 2.316 231 R HA 0.073 4.413 4.340 0.000 0.000 0.201 231 R C 1.833 178.153 176.300 0.034 0.000 0.888 231 R CA 1.152 57.295 56.100 0.072 0.000 1.041 231 R CB -0.573 29.750 30.300 0.038 0.000 1.115 231 R HN 0.448 nan 8.270 nan 0.000 0.559 232 V N 0.485 120.418 119.914 0.033 0.000 2.453 232 V HA -0.224 3.897 4.120 0.000 0.000 0.252 232 V C 2.526 178.596 176.094 -0.040 0.000 1.068 232 V CA 1.988 64.288 62.300 -0.000 0.000 1.070 232 V CB -1.301 30.525 31.823 0.006 0.000 0.664 232 V HN 0.174 nan 8.190 nan 0.000 0.461 233 A N 0.929 123.729 122.820 -0.033 0.000 1.865 233 A HA -0.109 4.211 4.320 0.000 0.000 0.217 233 A C 2.268 179.760 177.584 -0.155 0.000 1.191 233 A CA 2.155 54.114 52.037 -0.130 0.000 0.623 233 A CB -0.657 18.213 19.000 -0.217 0.000 0.826 233 A HN 0.525 nan 8.150 nan 0.000 0.444 234 L N -0.611 120.533 121.223 -0.133 0.000 2.043 234 L HA -0.229 4.111 4.340 0.000 0.000 0.212 234 L C 2.791 179.580 176.870 -0.136 0.000 1.075 234 L CA 2.040 56.782 54.840 -0.162 0.000 0.752 234 L CB -1.320 40.613 42.059 -0.209 0.000 0.891 234 L HN 0.394 nan 8.230 nan 0.000 0.432 235 T N -0.362 114.130 114.554 -0.102 0.000 2.708 235 T HA -0.114 4.236 4.350 0.000 0.000 0.266 235 T C 1.829 176.483 174.700 -0.077 0.000 1.037 235 T CA 1.367 63.420 62.100 -0.078 0.000 1.146 235 T CB -0.534 68.306 68.868 -0.046 0.000 0.865 235 T HN 0.564 nan 8.240 nan 0.000 0.435 236 G N 1.539 110.286 108.800 -0.087 0.000 2.418 236 G HA2 -0.138 3.822 3.960 0.000 0.000 0.217 236 G HA3 -0.138 3.822 3.960 0.000 0.000 0.217 236 G C 1.527 176.379 174.900 -0.081 0.000 1.158 236 G CA 0.711 45.761 45.100 -0.084 0.000 0.771 236 G HN 0.384 nan 8.290 nan 0.000 0.545 237 L N 1.270 122.427 121.223 -0.109 0.000 1.990 237 L HA -0.079 4.261 4.340 0.000 0.000 0.213 237 L C 2.865 179.688 176.870 -0.079 0.000 1.072 237 L CA 2.769 57.544 54.840 -0.109 0.000 0.755 237 L CB -1.245 40.728 42.059 -0.144 0.000 0.889 237 L HN 0.205 nan 8.230 nan 0.000 0.432 238 T N -0.883 113.622 114.554 -0.082 0.000 2.684 238 T HA -0.195 4.155 4.350 0.000 0.000 0.267 238 T C 2.015 176.672 174.700 -0.071 0.000 1.036 238 T CA 1.744 63.803 62.100 -0.069 0.000 1.148 238 T CB -0.541 68.285 68.868 -0.071 0.000 0.863 238 T HN 0.225 nan 8.240 nan 0.000 0.436 239 V N 1.751 121.616 119.914 -0.082 0.000 2.282 239 V HA -0.261 3.859 4.120 0.000 0.000 0.249 239 V C 2.880 178.920 176.094 -0.090 0.000 1.057 239 V CA 1.956 64.184 62.300 -0.119 0.000 1.032 239 V CB -1.277 30.514 31.823 -0.053 0.000 0.645 239 V HN 0.572 nan 8.190 nan 0.000 0.447 240 A N -0.460 122.375 122.820 0.025 0.000 1.883 240 A HA -0.274 4.046 4.320 0.000 0.000 0.217 240 A C 2.134 179.760 177.584 0.069 0.000 1.186 240 A CA 2.017 54.127 52.037 0.121 0.000 0.624 240 A CB -0.578 18.460 19.000 0.064 0.000 0.822 240 A HN 0.659 nan 8.150 nan 0.000 0.444 241 E N -1.595 118.606 120.200 0.002 0.000 2.097 241 E HA -0.270 4.080 4.350 0.000 0.000 0.196 241 E C 1.847 178.434 176.600 -0.022 0.000 1.000 241 E CA 1.608 58.002 56.400 -0.010 0.000 0.804 241 E CB -0.413 29.273 29.700 -0.023 0.000 0.740 241 E HN 0.797 nan 8.360 nan 0.000 0.454 242 Y N 0.795 120.980 120.300 -0.193 0.000 2.081 242 Y HA -0.302 4.248 4.550 0.000 0.000 0.280 242 Y C 1.908 177.699 175.900 -0.181 0.000 1.163 242 Y CA 1.795 59.735 58.100 -0.266 0.000 1.135 242 Y CB -0.394 37.772 38.460 -0.489 0.000 0.970 242 Y HN -0.061 nan 8.280 nan 0.000 0.498 243 F N 0.138 120.129 119.950 0.069 0.000 2.171 243 F HA -0.137 4.390 4.527 0.000 0.000 0.300 243 F C 2.725 178.496 175.800 -0.049 0.000 1.090 243 F CA 1.756 59.778 58.000 0.036 0.000 1.293 243 F CB -0.976 38.186 39.000 0.271 0.000 1.013 243 F HN -0.007 nan 8.300 nan 0.000 0.486 244 R N 0.504 121.075 120.500 0.118 0.000 2.070 244 R HA -0.157 4.183 4.340 0.000 0.000 0.232 244 R C 1.663 177.944 176.300 -0.032 0.000 1.138 244 R CA 2.207 58.332 56.100 0.042 0.000 0.936 244 R CB -0.342 29.972 30.300 0.023 0.000 0.839 244 R HN 0.156 nan 8.270 nan 0.000 0.429 245 D N -0.305 120.046 120.400 -0.081 0.000 2.216 245 D HA -0.060 4.580 4.640 0.000 0.000 0.208 245 D C 1.836 178.044 176.300 -0.154 0.000 0.960 245 D CA 0.710 54.652 54.000 -0.096 0.000 0.861 245 D CB 0.011 40.768 40.800 -0.073 0.000 0.985 245 D HN 0.247 nan 8.370 nan 0.000 0.493 246 Q N 0.326 119.940 119.800 -0.309 0.000 2.451 246 Q HA 0.058 4.398 4.340 0.000 0.000 0.206 246 Q C 0.556 176.363 176.000 -0.322 0.000 0.947 246 Q CA 0.598 56.160 55.803 -0.401 0.000 0.937 246 Q CB 0.540 28.761 28.738 -0.862 0.000 1.025 246 Q HN 0.498 nan 8.270 nan 0.000 0.511 247 E N -0.968 119.099 120.200 -0.221 0.000 2.743 247 E HA 0.184 4.534 4.350 0.000 0.000 0.222 247 E C 0.341 176.926 176.600 -0.025 0.000 0.959 247 E CA 0.119 56.479 56.400 -0.066 0.000 1.198 247 E CB 1.049 30.782 29.700 0.055 0.000 1.100 247 E HN 0.282 nan 8.360 nan 0.000 0.518 248 G N 2.364 111.139 108.800 -0.042 0.000 2.337 248 G HA2 -0.313 3.647 3.960 0.000 0.000 0.290 248 G HA3 -0.313 3.647 3.960 0.000 0.000 0.290 248 G C 0.353 175.244 174.900 -0.015 0.000 1.003 248 G CA 0.651 45.734 45.100 -0.027 0.000 0.825 248 G HN 0.128 nan 8.290 nan 0.000 0.509 249 Q N -0.076 119.732 119.800 0.013 0.000 2.354 249 Q HA 0.275 4.615 4.340 0.000 0.000 0.244 249 Q C -0.315 175.695 176.000 0.016 0.000 0.969 249 Q CA -0.056 55.746 55.803 -0.003 0.000 0.885 249 Q CB 0.741 29.521 28.738 0.069 0.000 1.241 249 Q HN 0.318 nan 8.270 nan 0.000 0.461 250 D N 1.101 121.491 120.400 -0.017 0.000 2.347 250 D HA 0.261 4.901 4.640 0.000 0.000 0.235 250 D C -0.614 175.782 176.300 0.159 0.000 1.149 250 D CA -0.106 53.929 54.000 0.058 0.000 0.850 250 D CB 0.864 41.703 40.800 0.064 0.000 1.061 250 D HN 0.063 nan 8.370 nan 0.000 0.487 251 V N 2.805 122.792 119.914 0.123 0.000 2.837 251 V HA 0.488 4.608 4.120 0.000 0.000 0.310 251 V C 0.293 176.361 176.094 -0.043 0.000 1.059 251 V CA -0.900 61.471 62.300 0.120 0.000 1.004 251 V CB 1.710 33.618 31.823 0.141 0.000 1.045 251 V HN 0.357 nan 8.190 nan 0.000 0.465 252 L N 3.276 124.434 121.223 -0.108 0.000 2.381 252 L HA 0.593 4.934 4.340 0.000 0.000 0.274 252 L C -1.300 175.435 176.870 -0.225 0.000 0.988 252 L CA -0.547 54.119 54.840 -0.290 0.000 0.824 252 L CB 1.852 43.716 42.059 -0.326 0.000 1.263 252 L HN 0.500 nan 8.230 nan 0.000 0.410 253 L N 4.061 125.038 121.223 -0.411 0.000 2.372 253 L HA 0.580 4.920 4.340 0.000 0.000 0.273 253 L C -1.508 175.061 176.870 -0.502 0.000 0.989 253 L CA 0.132 54.791 54.840 -0.300 0.000 0.841 253 L CB 1.192 43.125 42.059 -0.210 0.000 1.225 253 L HN 0.204 nan 8.230 nan 0.000 0.414 254 F N 5.769 125.603 119.950 -0.195 0.000 2.436 254 F HA 0.660 5.188 4.527 0.000 0.000 0.340 254 F C 0.053 175.486 175.800 -0.611 0.000 1.113 254 F CA -0.447 57.365 58.000 -0.313 0.000 1.022 254 F CB 1.528 40.423 39.000 -0.174 0.000 1.128 254 F HN 0.231 nan 8.300 nan 0.000 0.466 255 I N 2.584 122.935 120.570 -0.365 0.000 2.533 255 I HA 0.320 4.490 4.170 0.000 0.000 0.290 255 I C -1.455 174.473 176.117 -0.316 0.000 1.056 255 I CA -0.638 60.403 61.300 -0.432 0.000 1.057 255 I CB 2.210 40.036 38.000 -0.291 0.000 1.240 255 I HN 0.404 nan 8.210 nan 0.000 0.423 256 D N 5.815 126.036 120.400 -0.298 0.000 2.575 256 D HA 0.293 4.933 4.640 0.000 0.000 0.250 256 D C -1.401 174.903 176.300 0.008 0.000 1.279 256 D CA -0.230 53.743 54.000 -0.044 0.000 0.925 256 D CB 1.429 42.300 40.800 0.118 0.000 1.261 256 D HN 0.459 nan 8.370 nan 0.000 0.567 257 N N 3.942 122.665 118.700 0.038 0.000 2.258 257 N HA 0.230 4.970 4.740 0.000 0.000 0.299 257 N C 0.411 175.956 175.510 0.058 0.000 1.047 257 N CA -0.466 52.623 53.050 0.064 0.000 0.814 257 N CB 1.883 40.465 38.487 0.158 0.000 1.413 257 N HN 0.341 nan 8.380 nan 0.000 0.478 258 I N 3.361 123.938 120.570 0.013 0.000 3.291 258 I HA -0.020 4.150 4.170 0.000 0.000 0.279 258 I C 1.554 177.738 176.117 0.111 0.000 1.294 258 I CA 0.436 61.732 61.300 -0.007 0.000 1.428 258 I CB -0.266 37.652 38.000 -0.136 0.000 1.070 258 I HN 0.572 nan 8.210 nan 0.000 0.478 259 F N 1.027 121.004 119.950 0.046 0.000 2.234 259 F HA -0.142 4.385 4.527 -0.000 0.000 0.299 259 F C 2.271 178.160 175.800 0.148 0.000 1.087 259 F CA 1.249 59.317 58.000 0.114 0.000 1.340 259 F CB -0.269 38.832 39.000 0.167 0.000 1.031 259 F HN -0.075 nan 8.300 nan 0.000 0.500 260 R N 0.228 120.736 120.500 0.014 0.000 2.127 260 R HA -0.210 4.130 4.340 0.000 0.000 0.238 260 R C 2.205 178.448 176.300 -0.095 0.000 1.134 260 R CA 1.584 57.631 56.100 -0.089 0.000 0.975 260 R CB -1.818 28.509 30.300 0.047 0.000 0.865 260 R HN 0.524 nan 8.270 nan 0.000 0.447 261 F N 1.743 121.600 119.950 -0.156 0.000 2.134 261 F HA -0.173 4.355 4.527 0.001 0.000 0.299 261 F C 1.930 177.644 175.800 -0.142 0.000 1.097 261 F CA 1.676 59.601 58.000 -0.125 0.000 1.264 261 F CB -0.410 38.525 39.000 -0.108 0.000 1.001 261 F HN -0.128 nan 8.300 nan 0.000 0.479 262 T N 0.333 114.758 114.554 -0.215 0.000 2.737 262 T HA -0.235 4.115 4.350 0.000 0.000 0.265 262 T C 1.876 176.406 174.700 -0.283 0.000 1.038 262 T CA 1.542 63.465 62.100 -0.296 0.000 1.144 262 T CB -0.439 68.373 68.868 -0.095 0.000 0.866 262 T HN 0.488 nan 8.240 nan 0.000 0.434 263 Q N 0.945 120.494 119.800 -0.419 0.000 2.061 263 Q HA -0.150 4.191 4.340 0.000 0.000 0.204 263 Q C 2.476 178.353 176.000 -0.205 0.000 0.984 263 Q CA 1.701 57.312 55.803 -0.321 0.000 0.846 263 Q CB -0.380 28.086 28.738 -0.453 0.000 0.902 263 Q HN 0.513 nan 8.270 nan 0.000 0.421 264 A N 0.575 123.261 122.820 -0.223 0.000 1.917 264 A HA -0.174 4.146 4.320 0.000 0.000 0.219 264 A C 2.301 179.773 177.584 -0.186 0.000 1.182 264 A CA 1.827 53.760 52.037 -0.174 0.000 0.633 264 A CB -1.502 17.402 19.000 -0.160 0.000 0.819 264 A HN 0.646 nan 8.150 nan 0.000 0.448 265 G N -0.238 108.395 108.800 -0.277 0.000 2.422 265 G HA2 -0.217 3.744 3.960 0.000 0.000 0.218 265 G HA3 -0.217 3.744 3.960 0.000 0.000 0.218 265 G C 1.958 176.790 174.900 -0.114 0.000 1.146 265 G CA 1.817 46.777 45.100 -0.233 0.000 0.769 265 G HN 0.947 nan 8.290 nan 0.000 0.547 266 S N 0.286 115.938 115.700 -0.079 0.000 2.447 266 S HA -0.006 4.464 4.470 0.000 0.000 0.233 266 S C 1.937 176.496 174.600 -0.068 0.000 1.006 266 S CA 1.494 59.670 58.200 -0.041 0.000 0.957 266 S CB -0.196 62.967 63.200 -0.062 0.000 0.773 266 S HN 0.578 nan 8.310 nan 0.000 0.507 267 E N 0.883 121.035 120.200 -0.080 0.000 2.072 267 E HA -0.077 4.273 4.350 0.000 0.000 0.191 267 E C 2.321 178.892 176.600 -0.049 0.000 0.985 267 E CA 1.474 57.836 56.400 -0.063 0.000 0.801 267 E CB -0.270 29.394 29.700 -0.061 0.000 0.750 267 E HN 0.651 nan 8.360 nan 0.000 0.452 268 V N -1.540 118.342 119.914 -0.053 0.000 2.788 268 V HA -0.061 4.059 4.120 0.000 0.000 0.251 268 V C 2.224 178.300 176.094 -0.030 0.000 1.068 268 V CA 1.434 63.712 62.300 -0.038 0.000 1.090 268 V CB 0.236 32.035 31.823 -0.040 0.000 0.710 268 V HN 0.123 nan 8.190 nan 0.000 0.467 269 S N 1.329 117.008 115.700 -0.034 0.000 2.381 269 S HA -0.287 4.183 4.470 0.000 0.000 0.230 269 S C 2.156 176.749 174.600 -0.012 0.000 1.052 269 S CA 2.536 60.724 58.200 -0.020 0.000 1.068 269 S CB -0.714 62.480 63.200 -0.012 0.000 0.918 269 S HN 1.107 nan 8.310 nan 0.000 0.448 270 A N 1.459 124.270 122.820 -0.015 0.000 1.877 270 A HA 0.060 4.380 4.320 0.000 0.000 0.216 270 A C 2.234 179.814 177.584 -0.007 0.000 1.186 270 A CA 1.500 53.531 52.037 -0.009 0.000 0.620 270 A CB -0.847 18.146 19.000 -0.012 0.000 0.822 270 A HN 0.591 nan 8.150 nan 0.000 0.443 271 L N -0.619 120.598 121.223 -0.010 0.000 2.081 271 L HA -0.208 4.132 4.340 0.000 0.000 0.212 271 L C 2.184 179.052 176.870 -0.003 0.000 1.080 271 L CA 1.146 55.982 54.840 -0.007 0.000 0.754 271 L CB -0.747 41.307 42.059 -0.009 0.000 0.893 271 L HN 0.366 nan 8.230 nan 0.000 0.433 272 L N 0.013 121.234 121.223 -0.004 0.000 2.622 272 L HA 0.020 4.361 4.340 0.000 0.000 0.233 272 L C 1.343 178.214 176.870 0.003 0.000 1.156 272 L CA 0.593 55.433 54.840 -0.000 0.000 0.866 272 L CB -0.706 41.351 42.059 -0.003 0.000 0.980 272 L HN 0.513 nan 8.230 nan 0.000 0.448 273 G N 0.726 109.527 108.800 0.001 0.000 2.171 273 G HA2 -0.263 3.697 3.960 0.000 0.000 0.238 273 G HA3 -0.263 3.697 3.960 0.000 0.000 0.238 273 G C 0.070 174.973 174.900 0.005 0.000 1.039 273 G CA -0.326 44.776 45.100 0.004 0.000 0.759 273 G HN 0.399 nan 8.290 nan 0.000 0.501 274 R N -0.626 119.877 120.500 0.004 0.000 2.474 274 R HA 0.630 4.970 4.340 0.000 0.000 0.295 274 R C 0.927 177.233 176.300 0.010 0.000 0.980 274 R CA -0.953 55.151 56.100 0.007 0.000 0.934 274 R CB 1.333 31.638 30.300 0.008 0.000 1.101 274 R HN 0.289 nan 8.270 nan 0.000 0.469 275 I N 4.778 125.355 120.570 0.012 0.000 2.618 275 I HA 0.051 4.221 4.170 0.000 0.000 0.284 275 I C -1.580 174.549 176.117 0.021 0.000 1.146 275 I CA -1.508 59.800 61.300 0.015 0.000 1.425 275 I CB 0.309 38.318 38.000 0.015 0.000 1.383 275 I HN 0.311 nan 8.210 nan 0.000 0.562 276 P HA 0.117 nan 4.420 nan 0.000 0.274 276 P C -0.362 176.966 177.300 0.047 0.000 1.237 276 P CA -0.295 62.826 63.100 0.035 0.000 0.793 276 P CB 1.351 33.066 31.700 0.025 0.000 0.977 277 S N 0.268 116.011 115.700 0.072 0.000 2.448 277 S HA 0.620 5.090 4.470 0.000 0.000 0.271 277 S C 0.004 174.662 174.600 0.096 0.000 1.145 277 S CA -0.422 57.825 58.200 0.078 0.000 1.022 277 S CB -0.064 63.189 63.200 0.089 0.000 1.202 277 S HN 0.606 nan 8.310 nan 0.000 0.479 278 A N 0.204 123.091 122.820 0.110 0.000 2.462 278 A HA 0.474 4.794 4.320 0.000 0.000 0.243 278 A C 0.759 178.454 177.584 0.185 0.000 1.076 278 A CA 0.242 52.352 52.037 0.120 0.000 0.773 278 A CB -0.534 18.531 19.000 0.109 0.000 1.010 278 A HN 1.585 nan 8.150 nan 0.000 0.493 279 V N 0.887 120.880 119.914 0.131 0.000 4.591 279 V HA -0.285 3.835 4.120 0.000 0.000 0.261 279 V C 1.681 177.772 176.094 -0.005 0.000 0.425 279 V CA 1.383 63.746 62.300 0.105 0.000 0.826 279 V CB -2.561 29.389 31.823 0.211 0.000 0.812 279 V HN 2.922 nan 8.190 nan 0.000 1.340 280 G N -2.455 106.353 108.800 0.013 0.000 2.184 280 G HA2 -0.361 3.599 3.960 0.000 0.000 0.264 280 G HA3 -0.361 3.599 3.960 0.000 0.000 0.264 280 G C -0.086 174.788 174.900 -0.043 0.000 0.975 280 G CA 0.592 45.668 45.100 -0.040 0.000 0.642 280 G HN 0.960 nan 8.290 nan 0.000 0.536 281 Y N 1.535 121.849 120.300 0.025 0.000 2.299 281 Y HA 0.399 4.950 4.550 0.001 0.000 0.335 281 Y C 1.543 177.445 175.900 0.003 0.000 1.287 281 Y CA 0.057 58.165 58.100 0.013 0.000 1.424 281 Y CB 0.451 38.927 38.460 0.027 0.000 1.326 281 Y HN 0.449 nan 8.280 nan 0.000 0.567 282 Q N 3.465 123.382 119.800 0.194 0.000 2.364 282 Q HA 0.085 4.425 4.340 0.000 0.000 0.267 282 Q C -2.090 173.959 176.000 0.080 0.000 0.999 282 Q CA -1.644 54.214 55.803 0.091 0.000 0.886 282 Q CB 0.649 29.419 28.738 0.053 0.000 1.243 282 Q HN 0.399 nan 8.270 nan 0.000 0.415 283 P HA -0.145 nan 4.420 nan 0.000 0.225 283 P C 0.949 178.268 177.300 0.032 0.000 1.148 283 P CA 1.331 64.457 63.100 0.042 0.000 0.779 283 P CB 0.024 31.743 31.700 0.031 0.000 0.780 284 T N -4.173 110.397 114.554 0.026 0.000 3.163 284 T HA 0.146 4.496 4.350 0.000 0.000 0.252 284 T C 1.562 176.275 174.700 0.022 0.000 1.056 284 T CA -0.364 61.749 62.100 0.021 0.000 0.947 284 T CB -0.942 67.934 68.868 0.014 0.000 1.016 284 T HN -0.072 nan 8.240 nan 0.000 0.554 285 L N 1.214 122.447 121.223 0.016 0.000 1.978 285 L HA -0.135 4.205 4.340 0.000 0.000 0.218 285 L C 2.880 179.768 176.870 0.030 0.000 1.075 285 L CA 2.253 57.092 54.840 -0.003 0.000 0.767 285 L CB -0.825 41.196 42.059 -0.064 0.000 0.890 285 L HN 0.422 nan 8.230 nan 0.000 0.434 286 A N -0.796 122.047 122.820 0.038 0.000 1.877 286 A HA -0.248 4.072 4.320 0.000 0.000 0.216 286 A C 2.346 179.986 177.584 0.095 0.000 1.186 286 A CA 2.509 54.591 52.037 0.075 0.000 0.620 286 A CB -1.318 17.719 19.000 0.062 0.000 0.822 286 A HN 0.677 nan 8.150 nan 0.000 0.443 287 T N -1.926 112.671 114.554 0.071 0.000 2.788 287 T HA -0.161 4.189 4.350 0.000 0.000 0.268 287 T C 1.342 176.096 174.700 0.090 0.000 1.044 287 T CA 1.589 63.732 62.100 0.072 0.000 1.139 287 T CB -0.565 68.334 68.868 0.050 0.000 0.867 287 T HN 0.373 nan 8.240 nan 0.000 0.454 288 D N 0.867 121.326 120.400 0.099 0.000 2.117 288 D HA -0.033 4.608 4.640 0.000 0.000 0.197 288 D C 1.993 178.445 176.300 0.254 0.000 0.987 288 D CA 1.032 55.131 54.000 0.165 0.000 0.829 288 D CB -0.441 40.426 40.800 0.112 0.000 0.961 288 D HN 0.414 nan 8.370 nan 0.000 0.460 289 M N 0.425 120.145 119.600 0.199 0.000 2.099 289 M HA -0.064 4.416 4.480 0.000 0.000 0.262 289 M C 2.055 178.312 176.300 -0.071 0.000 1.067 289 M CA 1.968 57.324 55.300 0.093 0.000 1.124 289 M CB -0.249 32.395 32.600 0.073 0.000 1.353 289 M HN 0.047 nan 8.290 nan 0.000 0.410 290 G N -0.421 108.411 108.800 0.054 0.000 2.480 290 G HA2 -0.291 3.669 3.960 0.000 0.000 0.216 290 G HA3 -0.291 3.669 3.960 0.000 0.000 0.216 290 G C 1.360 176.280 174.900 0.033 0.000 1.200 290 G CA 1.686 46.842 45.100 0.093 0.000 0.782 290 G HN 0.591 nan 8.290 nan 0.000 0.554 291 T N -1.560 113.019 114.554 0.043 0.000 3.051 291 T HA 0.073 4.423 4.350 0.000 0.000 0.269 291 T C 2.064 176.756 174.700 -0.013 0.000 1.127 291 T CA 1.360 63.478 62.100 0.031 0.000 1.107 291 T CB 0.024 68.926 68.868 0.057 0.000 0.898 291 T HN 0.255 nan 8.240 nan 0.000 0.517 292 M N -0.003 119.556 119.600 -0.069 0.000 2.398 292 M HA 0.074 4.554 4.480 0.000 0.000 0.261 292 M C 2.228 178.382 176.300 -0.242 0.000 1.125 292 M CA 0.885 56.075 55.300 -0.183 0.000 1.183 292 M CB -0.156 32.231 32.600 -0.354 0.000 1.322 292 M HN 0.049 nan 8.290 nan 0.000 0.467 293 Q N 0.945 120.558 119.800 -0.312 0.000 2.135 293 Q HA -0.163 4.177 4.340 0.000 0.000 0.204 293 Q C 1.584 177.483 176.000 -0.168 0.000 0.981 293 Q CA 1.357 56.948 55.803 -0.353 0.000 0.856 293 Q CB -0.444 27.845 28.738 -0.748 0.000 0.902 293 Q HN 0.589 nan 8.270 nan 0.000 0.425 294 E N 0.183 120.337 120.200 -0.077 0.000 2.472 294 E HA -0.115 4.235 4.350 0.000 0.000 0.200 294 E C 1.499 178.081 176.600 -0.030 0.000 1.046 294 E CA 0.416 56.811 56.400 -0.008 0.000 0.871 294 E CB 0.040 29.761 29.700 0.036 0.000 0.806 294 E HN 0.335 nan 8.360 nan 0.000 0.533 295 R N -0.083 120.379 120.500 -0.065 0.000 2.265 295 R HA 0.236 4.576 4.340 0.000 0.000 0.194 295 R C 0.912 177.166 176.300 -0.077 0.000 0.931 295 R CA 0.014 56.077 56.100 -0.061 0.000 1.032 295 R CB 0.478 30.738 30.300 -0.066 0.000 0.980 295 R HN 0.027 nan 8.270 nan 0.000 0.497 296 I N 1.904 122.411 120.570 -0.104 0.000 2.243 296 I HA 0.073 4.244 4.170 0.000 0.000 0.297 296 I C -0.068 175.997 176.117 -0.087 0.000 1.161 296 I CA 0.238 61.469 61.300 -0.114 0.000 1.298 296 I CB 0.550 38.455 38.000 -0.159 0.000 1.475 296 I HN -0.063 nan 8.210 nan 0.000 0.561 297 T N 2.613 117.127 114.554 -0.067 0.000 2.886 297 T HA 0.265 4.615 4.350 0.000 0.000 0.330 297 T C -0.306 174.366 174.700 -0.048 0.000 1.488 297 T CA -0.355 61.713 62.100 -0.054 0.000 1.054 297 T CB 1.638 70.483 68.868 -0.038 0.000 1.348 297 T HN 0.270 nan 8.240 nan 0.000 0.489 298 T N 3.069 117.595 114.554 -0.047 0.000 2.899 298 T HA 0.648 4.998 4.350 0.000 0.000 0.295 298 T C 0.375 175.050 174.700 -0.042 0.000 1.033 298 T CA -0.004 62.072 62.100 -0.041 0.000 1.084 298 T CB 0.829 69.673 68.868 -0.040 0.000 0.979 298 T HN 0.957 nan 8.240 nan 0.000 0.532 299 T N -0.827 113.704 114.554 -0.038 0.000 2.647 299 T HA 0.457 4.807 4.350 0.000 0.000 0.295 299 T C 0.757 175.432 174.700 -0.041 0.000 1.126 299 T CA -0.993 61.081 62.100 -0.044 0.000 1.040 299 T CB 1.316 70.161 68.868 -0.039 0.000 1.472 299 T HN 0.351 nan 8.240 nan 0.000 0.500 300 K N -0.007 120.367 120.400 -0.043 0.000 2.288 300 K HA 0.097 4.418 4.320 0.000 0.000 0.201 300 K C 2.051 178.633 176.600 -0.031 0.000 1.048 300 K CA 0.819 57.084 56.287 -0.038 0.000 0.956 300 K CB -0.053 32.424 32.500 -0.039 0.000 0.746 300 K HN 0.428 nan 8.250 nan 0.000 0.461 301 K N -0.355 120.027 120.400 -0.030 0.000 2.098 301 K HA 0.020 4.341 4.320 0.000 0.000 0.203 301 K C 0.768 177.353 176.600 -0.026 0.000 1.051 301 K CA 0.780 57.049 56.287 -0.029 0.000 0.957 301 K CB 0.545 33.026 32.500 -0.033 0.000 0.738 301 K HN 0.157 nan 8.250 nan 0.000 0.447 302 G N -0.992 107.794 108.800 -0.023 0.000 2.684 302 G HA2 0.335 4.295 3.960 0.000 0.000 0.290 302 G HA3 0.335 4.295 3.960 0.000 0.000 0.290 302 G C -1.665 173.228 174.900 -0.011 0.000 1.425 302 G CA -0.534 44.558 45.100 -0.013 0.000 0.822 302 G HN -0.057 nan 8.290 nan 0.000 0.482 303 S N -0.652 115.047 115.700 -0.002 0.000 2.451 303 S HA 0.708 5.178 4.470 0.000 0.000 0.301 303 S C -0.509 174.087 174.600 -0.007 0.000 1.116 303 S CA -0.633 57.563 58.200 -0.007 0.000 1.093 303 S CB 0.523 63.725 63.200 0.003 0.000 1.017 303 S HN 0.400 nan 8.310 nan 0.000 0.482 304 I N 4.395 124.945 120.570 -0.033 0.000 2.420 304 I HA 0.224 4.394 4.170 0.000 0.000 0.282 304 I C -0.310 175.745 176.117 -0.104 0.000 1.019 304 I CA -0.355 60.911 61.300 -0.057 0.000 1.130 304 I CB 1.896 39.860 38.000 -0.059 0.000 1.262 304 I HN 0.499 nan 8.210 nan 0.000 0.454 305 T N 4.349 118.818 114.554 -0.141 0.000 2.749 305 T HA 0.317 4.667 4.350 0.000 0.000 0.295 305 T C 0.105 174.627 174.700 -0.296 0.000 0.936 305 T CA -0.520 61.466 62.100 -0.190 0.000 1.060 305 T CB 0.615 69.369 68.868 -0.189 0.000 0.904 305 T HN 0.626 nan 8.240 nan 0.000 0.500 306 S N 2.012 117.537 115.700 -0.291 0.000 2.502 306 S HA 0.700 5.170 4.470 0.000 0.000 0.304 306 S C -0.622 173.753 174.600 -0.376 0.000 1.097 306 S CA -0.863 57.122 58.200 -0.358 0.000 1.045 306 S CB 1.395 64.436 63.200 -0.264 0.000 1.019 306 S HN 0.393 nan 8.310 nan 0.000 0.481 307 V N 3.369 123.011 119.914 -0.453 0.000 2.378 307 V HA 0.471 4.591 4.120 0.000 0.000 0.288 307 V C -0.500 175.459 176.094 -0.225 0.000 1.016 307 V CA -0.474 61.630 62.300 -0.327 0.000 0.840 307 V CB 1.174 32.853 31.823 -0.240 0.000 0.994 307 V HN 0.953 nan 8.190 nan 0.000 0.431 308 Q N 3.109 122.785 119.800 -0.206 0.000 2.330 308 Q HA 0.726 5.066 4.340 0.000 0.000 0.269 308 Q C -0.354 175.545 176.000 -0.169 0.000 1.022 308 Q CA -0.588 55.100 55.803 -0.193 0.000 0.796 308 Q CB 2.660 31.259 28.738 -0.231 0.000 1.271 308 Q HN 0.866 nan 8.270 nan 0.000 0.450 309 A N 3.672 126.429 122.820 -0.106 0.000 2.366 309 A HA 0.537 4.857 4.320 0.000 0.000 0.272 309 A C -0.317 177.201 177.584 -0.109 0.000 1.135 309 A CA -0.299 51.695 52.037 -0.072 0.000 0.804 309 A CB 0.063 19.076 19.000 0.023 0.000 1.064 309 A HN 0.756 nan 8.150 nan 0.000 0.499 310 I N 3.123 123.566 120.570 -0.212 0.000 2.464 310 I HA 0.132 4.302 4.170 0.000 0.000 0.277 310 I C -0.710 175.323 176.117 -0.141 0.000 1.040 310 I CA -0.458 60.694 61.300 -0.247 0.000 1.153 310 I CB 0.844 38.392 38.000 -0.753 0.000 1.274 310 I HN 0.728 nan 8.210 nan 0.000 0.469 311 Y N 6.920 127.144 120.300 -0.126 0.000 2.544 311 Y HA 0.237 4.788 4.550 0.000 0.000 0.330 311 Y C -0.234 175.339 175.900 -0.544 0.000 1.136 311 Y CA 0.132 58.072 58.100 -0.266 0.000 1.417 311 Y CB 0.711 39.041 38.460 -0.216 0.000 1.229 311 Y HN 0.273 nan 8.280 nan 0.000 0.532 312 V N 10.053 129.379 119.914 -0.980 0.000 2.311 312 V HA 0.268 4.389 4.120 0.000 0.000 0.275 312 V C -2.110 173.472 176.094 -0.854 0.000 1.022 312 V CA -2.083 59.818 62.300 -0.665 0.000 0.830 312 V CB 0.907 32.571 31.823 -0.266 0.000 1.012 312 V HN 0.707 nan 8.190 nan 0.000 0.452 313 P HA 0.148 nan 4.420 nan 0.000 0.267 313 P C 0.595 177.836 177.300 -0.098 0.000 1.209 313 P CA 0.724 63.694 63.100 -0.217 0.000 0.763 313 P CB 0.998 32.742 31.700 0.074 0.000 0.816 314 A N 3.667 126.459 122.820 -0.046 0.000 2.910 314 A HA -0.270 4.050 4.320 0.000 0.000 0.267 314 A C 0.934 178.489 177.584 -0.048 0.000 1.310 314 A CA 1.499 53.528 52.037 -0.013 0.000 0.934 314 A CB -2.626 16.387 19.000 0.022 0.000 1.057 314 A HN 0.536 nan 8.150 nan 0.000 0.742 315 D N -2.224 118.104 120.400 -0.120 0.000 3.028 315 D HA -0.157 4.483 4.640 0.000 0.000 0.207 315 D C -0.258 176.010 176.300 -0.054 0.000 1.100 315 D CA 1.994 55.935 54.000 -0.099 0.000 0.995 315 D CB -1.260 39.507 40.800 -0.055 0.000 1.108 315 D HN 0.915 nan 8.370 nan 0.000 0.421 316 D N 0.419 120.797 120.400 -0.036 0.000 2.393 316 D HA 0.198 4.838 4.640 0.000 0.000 0.232 316 D C 1.360 177.681 176.300 0.034 0.000 1.192 316 D CA -0.199 53.805 54.000 0.007 0.000 0.882 316 D CB 0.267 41.086 40.800 0.032 0.000 1.038 316 D HN 0.182 nan 8.370 nan 0.000 0.499 317 L N 2.775 124.025 121.223 0.046 0.000 2.622 317 L HA -0.037 4.303 4.340 0.000 0.000 0.233 317 L C 2.057 179.002 176.870 0.125 0.000 1.156 317 L CA 0.896 55.801 54.840 0.109 0.000 0.866 317 L CB -0.205 41.909 42.059 0.092 0.000 0.980 317 L HN 0.482 nan 8.230 nan 0.000 0.448 318 T N -5.337 109.264 114.554 0.079 0.000 3.107 318 T HA -0.007 4.343 4.350 0.000 0.000 0.249 318 T C 0.499 175.262 174.700 0.105 0.000 1.096 318 T CA -0.462 61.683 62.100 0.075 0.000 1.012 318 T CB -0.363 68.529 68.868 0.040 0.000 0.977 318 T HN 0.118 nan 8.240 nan 0.000 0.527 319 D N 2.647 123.127 120.400 0.132 0.000 2.458 319 D HA 0.161 4.801 4.640 0.000 0.000 0.243 319 D C -1.273 175.115 176.300 0.147 0.000 1.146 319 D CA -1.781 52.328 54.000 0.182 0.000 0.877 319 D CB 1.175 42.108 40.800 0.221 0.000 1.176 319 D HN -0.046 nan 8.370 nan 0.000 0.461 320 P HA -0.313 nan 4.420 nan 0.000 0.220 320 P C 0.789 177.996 177.300 -0.154 0.000 1.155 320 P CA 2.165 65.210 63.100 -0.092 0.000 0.880 320 P CB 0.011 31.547 31.700 -0.273 0.000 0.790 321 A N -0.146 122.566 122.820 -0.181 0.000 1.841 321 A HA -0.146 4.174 4.320 0.000 0.000 0.216 321 A C 0.019 177.699 177.584 0.160 0.000 1.199 321 A CA 2.676 54.718 52.037 0.009 0.000 0.621 321 A CB -2.289 16.901 19.000 0.317 0.000 0.835 321 A HN 0.226 nan 8.150 nan 0.000 0.445 322 P HA -0.102 nan 4.420 nan 0.000 0.216 322 P C 1.651 179.136 177.300 0.308 0.000 1.153 322 P CA 2.027 65.292 63.100 0.276 0.000 0.848 322 P CB -0.280 31.605 31.700 0.308 0.000 0.787 323 A N -0.006 122.989 122.820 0.291 0.000 1.892 323 A HA -0.188 4.133 4.320 0.000 0.000 0.218 323 A C 2.219 179.989 177.584 0.310 0.000 1.188 323 A CA 2.649 54.886 52.037 0.332 0.000 0.631 323 A CB -2.068 17.041 19.000 0.181 0.000 0.822 323 A HN 0.237 nan 8.150 nan 0.000 0.447 324 T N -0.497 114.174 114.554 0.195 0.000 3.118 324 T HA 0.015 4.365 4.350 0.000 0.000 0.260 324 T C 1.474 176.317 174.700 0.238 0.000 1.139 324 T CA 1.444 63.647 62.100 0.170 0.000 1.085 324 T CB -0.181 68.748 68.868 0.101 0.000 0.934 324 T HN 0.570 nan 8.240 nan 0.000 0.518 325 T N 1.044 115.746 114.554 0.246 0.000 3.051 325 T HA 0.191 4.541 4.350 0.000 0.000 0.255 325 T C 1.401 176.262 174.700 0.268 0.000 1.085 325 T CA 0.017 62.261 62.100 0.241 0.000 1.109 325 T CB -0.232 68.671 68.868 0.058 0.000 0.921 325 T HN 0.265 nan 8.240 nan 0.000 0.488 326 F N 2.628 122.758 119.950 0.300 0.000 2.065 326 F HA -0.124 4.403 4.527 0.000 0.000 0.298 326 F C 2.707 178.566 175.800 0.098 0.000 1.112 326 F CA 1.198 59.318 58.000 0.199 0.000 1.212 326 F CB -0.923 38.093 39.000 0.026 0.000 0.975 326 F HN 0.145 nan 8.300 nan 0.000 0.476 327 A N -1.494 121.440 122.820 0.190 0.000 2.245 327 A HA -0.215 4.105 4.320 0.000 0.000 0.217 327 A C 1.517 179.012 177.584 -0.148 0.000 1.171 327 A CA 1.667 53.690 52.037 -0.023 0.000 0.688 327 A CB -1.016 17.890 19.000 -0.157 0.000 0.781 327 A HN 0.572 nan 8.150 nan 0.000 0.479 328 H N -1.688 117.430 119.070 0.080 0.000 2.652 328 H HA 0.367 4.923 4.556 0.000 0.000 0.274 328 H C -0.134 175.202 175.328 0.012 0.000 1.021 328 H CA -0.003 56.061 56.048 0.027 0.000 1.187 328 H CB 0.199 29.957 29.762 -0.007 0.000 1.505 328 H HN 0.373 nan 8.280 nan 0.000 0.530 329 L N 0.033 121.339 121.223 0.139 0.000 2.332 329 L HA 0.259 4.599 4.340 0.000 0.000 0.269 329 L C 0.908 177.818 176.870 0.068 0.000 1.016 329 L CA -0.591 54.300 54.840 0.085 0.000 0.809 329 L CB 1.556 43.681 42.059 0.111 0.000 1.280 329 L HN -0.141 nan 8.230 nan 0.000 0.447 330 D N 0.323 120.744 120.400 0.035 0.000 2.380 330 D HA 0.238 4.878 4.640 0.000 0.000 0.212 330 D C 0.128 176.462 176.300 0.058 0.000 1.021 330 D CA 0.557 54.579 54.000 0.036 0.000 0.884 330 D CB 1.049 41.855 40.800 0.010 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.531 123.383 122.820 0.053 0.000 2.455 331 A HA 0.589 4.909 4.320 0.000 0.000 0.300 331 A C -0.495 177.164 177.584 0.126 0.000 1.040 331 A CA -0.555 51.546 52.037 0.107 0.000 0.697 331 A CB 1.676 20.769 19.000 0.154 0.000 1.265 331 A HN -0.022 nan 8.150 nan 0.000 0.407 332 T N -0.992 113.683 114.554 0.202 0.000 2.886 332 T HA 0.698 5.048 4.350 0.000 0.000 0.292 332 T C -0.610 174.260 174.700 0.283 0.000 1.012 332 T CA -0.465 61.798 62.100 0.273 0.000 0.982 332 T CB 1.520 70.608 68.868 0.367 0.000 1.018 332 T HN 0.519 nan 8.240 nan 0.000 0.451 333 T N 3.092 117.834 114.554 0.313 0.000 3.042 333 T HA 0.402 4.752 4.350 0.000 0.000 0.356 333 T C 0.018 174.886 174.700 0.281 0.000 1.233 333 T CA -0.502 61.765 62.100 0.279 0.000 1.038 333 T CB 0.403 69.452 68.868 0.301 0.000 1.089 333 T HN 0.649 nan 8.240 nan 0.000 0.531 334 V N 5.687 125.737 119.914 0.226 0.000 2.387 334 V HA 0.245 4.365 4.120 0.000 0.000 0.260 334 V C 0.438 176.616 176.094 0.140 0.000 1.054 334 V CA -0.502 61.919 62.300 0.201 0.000 0.967 334 V CB 0.016 31.898 31.823 0.100 0.000 1.036 334 V HN 0.732 nan 8.190 nan 0.000 0.481 335 L N 4.164 125.475 121.223 0.147 0.000 2.395 335 L HA 0.482 4.822 4.340 0.000 0.000 0.269 335 L C 0.518 177.422 176.870 0.057 0.000 1.133 335 L CA 0.299 55.198 54.840 0.098 0.000 0.812 335 L CB 1.416 43.542 42.059 0.112 0.000 1.125 335 L HN 0.624 nan 8.230 nan 0.000 0.452 336 S N 1.330 117.044 115.700 0.023 0.000 2.502 336 S HA 0.339 4.809 4.470 0.000 0.000 0.304 336 S C 0.651 175.239 174.600 -0.020 0.000 1.097 336 S CA -0.751 57.447 58.200 -0.004 0.000 1.045 336 S CB 1.705 64.892 63.200 -0.020 0.000 1.019 336 S HN 0.706 nan 8.310 nan 0.000 0.481 337 R N 3.460 123.951 120.500 -0.015 0.000 2.066 337 R HA -0.017 4.324 4.340 0.000 0.000 0.232 337 R C 2.223 178.503 176.300 -0.034 0.000 1.131 337 R CA 1.805 57.896 56.100 -0.015 0.000 0.955 337 R CB -0.702 29.594 30.300 -0.007 0.000 0.851 337 R HN 0.783 nan 8.270 nan 0.000 0.432 338 A N 1.274 124.074 122.820 -0.035 0.000 1.892 338 A HA -0.210 4.110 4.320 0.000 0.000 0.218 338 A C 2.158 179.706 177.584 -0.059 0.000 1.188 338 A CA 1.843 53.855 52.037 -0.041 0.000 0.631 338 A CB -0.680 18.296 19.000 -0.040 0.000 0.822 338 A HN 0.389 nan 8.150 nan 0.000 0.447 339 I N -0.431 120.096 120.570 -0.072 0.000 2.179 339 I HA -0.275 3.895 4.170 0.000 0.000 0.242 339 I C 3.013 179.017 176.117 -0.187 0.000 1.088 339 I CA 1.055 62.295 61.300 -0.100 0.000 1.357 339 I CB -0.552 37.393 38.000 -0.091 0.000 1.051 339 I HN 0.371 nan 8.210 nan 0.000 0.409 340 A N 0.689 123.369 122.820 -0.234 0.000 1.917 340 A HA -0.259 4.061 4.320 0.000 0.000 0.219 340 A C 2.190 179.625 177.584 -0.249 0.000 1.182 340 A CA 1.920 53.706 52.037 -0.419 0.000 0.633 340 A CB -0.709 18.189 19.000 -0.171 0.000 0.819 340 A HN 0.484 nan 8.150 nan 0.000 0.448 341 E N -0.507 119.633 120.200 -0.101 0.000 2.265 341 E HA -0.072 4.278 4.350 0.000 0.000 0.196 341 E C 1.562 178.140 176.600 -0.037 0.000 0.996 341 E CA 0.540 56.919 56.400 -0.035 0.000 0.832 341 E CB -0.204 29.487 29.700 -0.016 0.000 0.756 341 E HN 0.627 nan 8.360 nan 0.000 0.491 342 L N -0.550 120.634 121.223 -0.066 0.000 2.554 342 L HA 0.047 4.388 4.340 0.000 0.000 0.226 342 L C 1.391 178.248 176.870 -0.020 0.000 1.137 342 L CA 0.539 55.358 54.840 -0.035 0.000 0.863 342 L CB 0.063 42.107 42.059 -0.025 0.000 0.985 342 L HN 0.315 nan 8.230 nan 0.000 0.451 343 G N 0.252 109.017 108.800 -0.059 0.000 2.157 343 G HA2 -0.217 3.743 3.960 0.000 0.000 0.239 343 G HA3 -0.217 3.743 3.960 0.000 0.000 0.239 343 G C 0.209 175.147 174.900 0.063 0.000 0.982 343 G CA -0.477 44.662 45.100 0.065 0.000 0.650 343 G HN 0.135 nan 8.290 nan 0.000 0.527 344 I N 1.148 121.617 120.570 -0.168 0.000 2.312 344 I HA 0.463 4.633 4.170 0.000 0.000 0.291 344 I C -0.175 175.684 176.117 -0.430 0.000 1.031 344 I CA -0.604 60.614 61.300 -0.137 0.000 1.293 344 I CB 0.014 37.972 38.000 -0.069 0.000 1.403 344 I HN 0.045 nan 8.210 nan 0.000 0.484 345 Y N 7.149 127.377 120.300 -0.120 0.000 2.425 345 Y HA 0.431 4.981 4.550 0.000 0.000 0.344 345 Y C -2.124 173.563 175.900 -0.355 0.000 0.969 345 Y CA -2.657 55.317 58.100 -0.210 0.000 1.052 345 Y CB 1.891 40.204 38.460 -0.244 0.000 1.215 345 Y HN 0.408 nan 8.280 nan 0.000 0.451 346 P HA 0.118 nan 4.420 nan 0.000 0.271 346 P C -0.312 176.990 177.300 0.003 0.000 1.216 346 P CA -0.246 62.868 63.100 0.024 0.000 0.776 346 P CB 1.021 32.808 31.700 0.146 0.000 0.881 347 A N 3.487 126.307 122.820 0.001 0.000 2.478 347 A HA 0.145 4.465 4.320 0.000 0.000 0.239 347 A C 0.544 178.121 177.584 -0.011 0.000 1.480 347 A CA -0.173 51.806 52.037 -0.096 0.000 1.308 347 A CB -1.352 17.569 19.000 -0.131 0.000 0.899 347 A HN 0.393 nan 8.150 nan 0.000 0.600 348 V N 1.201 121.128 119.914 0.022 0.000 2.585 348 V HA 0.010 4.130 4.120 0.000 0.000 0.296 348 V C 0.465 176.569 176.094 0.017 0.000 1.035 348 V CA -0.263 62.064 62.300 0.045 0.000 1.084 348 V CB 0.908 32.767 31.823 0.061 0.000 0.953 348 V HN 0.578 nan 8.190 nan 0.000 0.483 349 D N 8.009 128.422 120.400 0.022 0.000 2.352 349 D HA 0.188 4.828 4.640 0.000 0.000 0.245 349 D C -1.155 175.143 176.300 -0.003 0.000 1.224 349 D CA -2.107 51.893 54.000 0.000 0.000 0.879 349 D CB 1.761 42.560 40.800 -0.001 0.000 1.057 349 D HN 0.268 nan 8.370 nan 0.000 0.491 350 P HA -0.078 nan 4.420 nan 0.000 0.223 350 P C 1.239 178.516 177.300 -0.038 0.000 1.151 350 P CA 0.620 63.702 63.100 -0.030 0.000 0.787 350 P CB 0.447 32.121 31.700 -0.042 0.000 0.788 351 L N -1.035 120.166 121.223 -0.038 0.000 2.628 351 L HA 0.205 4.545 4.340 0.000 0.000 0.229 351 L C 1.483 178.323 176.870 -0.050 0.000 1.137 351 L CA 0.408 55.220 54.840 -0.046 0.000 0.909 351 L CB -0.194 41.836 42.059 -0.049 0.000 1.137 351 L HN -0.123 nan 8.230 nan 0.000 0.470 352 D N -1.381 118.996 120.400 -0.039 0.000 2.514 352 D HA 0.086 4.726 4.640 0.000 0.000 0.225 352 D C 0.381 176.671 176.300 -0.017 0.000 1.159 352 D CA 0.237 54.208 54.000 -0.049 0.000 0.823 352 D CB 0.769 41.538 40.800 -0.051 0.000 1.097 352 D HN -0.064 nan 8.370 nan 0.000 0.519 353 S N -0.200 115.508 115.700 0.014 0.000 2.554 353 S HA 0.643 5.113 4.470 0.000 0.000 0.278 353 S C 0.238 174.866 174.600 0.046 0.000 1.242 353 S CA -0.443 57.795 58.200 0.062 0.000 1.051 353 S CB 1.729 64.978 63.200 0.083 0.000 0.986 353 S HN 0.337 nan 8.310 nan 0.000 0.502 354 T N -1.368 113.233 114.554 0.079 0.000 2.812 354 T HA 0.800 5.150 4.350 0.000 0.000 0.294 354 T C -0.874 173.878 174.700 0.087 0.000 1.159 354 T CA -0.880 61.253 62.100 0.054 0.000 1.008 354 T CB 1.734 70.621 68.868 0.030 0.000 1.289 354 T HN 0.542 nan 8.240 nan 0.000 0.514 355 S N -0.953 114.786 115.700 0.065 0.000 2.605 355 S HA 0.338 4.808 4.470 0.000 0.000 0.279 355 S C 0.310 174.941 174.600 0.052 0.000 1.166 355 S CA -0.797 57.449 58.200 0.078 0.000 0.975 355 S CB 1.329 64.585 63.200 0.092 0.000 1.111 355 S HN 0.797 nan 8.310 nan 0.000 0.465 356 R N 2.833 123.364 120.500 0.051 0.000 2.397 356 R HA 0.046 4.386 4.340 0.000 0.000 0.213 356 R C 0.929 177.248 176.300 0.032 0.000 1.102 356 R CA 0.781 56.904 56.100 0.037 0.000 1.040 356 R CB -0.230 30.089 30.300 0.031 0.000 0.844 356 R HN 0.571 nan 8.270 nan 0.000 0.478 357 I N -0.193 120.396 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 0.000 0.000 0.319 357 I C 0.834 176.953 176.117 0.004 0.000 1.279 357 I CA 0.112 61.424 61.300 0.019 0.000 1.220 357 I CB -0.187 37.829 38.000 0.027 0.000 1.027 357 I HN 0.118 nan 8.210 nan 0.000 0.428 358 M N 2.144 121.754 119.600 0.015 0.000 3.705 358 M HA 0.081 4.561 4.480 0.000 0.000 0.191 358 M C -0.482 175.919 176.300 0.169 0.000 1.570 358 M CA -0.071 55.245 55.300 0.026 0.000 1.714 358 M CB -1.345 31.252 32.600 -0.005 0.000 1.148 358 M HN -0.022 nan 8.290 nan 0.000 0.547 359 D N 1.636 122.103 120.400 0.113 0.000 2.649 359 D HA 0.434 5.075 4.640 0.000 0.000 0.249 359 D C -2.291 173.988 176.300 -0.036 0.000 1.112 359 D CA -2.023 51.996 54.000 0.033 0.000 0.850 359 D CB 2.231 43.024 40.800 -0.012 0.000 1.399 359 D HN 0.065 nan 8.370 nan 0.000 0.503 360 P HA -0.119 nan 4.420 nan 0.000 0.216 360 P C 0.197 177.440 177.300 -0.096 0.000 1.150 360 P CA 1.291 64.252 63.100 -0.231 0.000 0.843 360 P CB 0.022 31.443 31.700 -0.464 0.000 0.787 361 N N -1.350 117.289 118.700 -0.103 0.000 2.515 361 N HA 0.070 4.810 4.740 0.000 0.000 0.191 361 N C 1.266 176.763 175.510 -0.023 0.000 1.182 361 N CA 0.374 53.392 53.050 -0.053 0.000 0.879 361 N CB -0.264 38.191 38.487 -0.053 0.000 0.984 361 N HN 0.258 nan 8.380 nan 0.000 0.453 362 I N -1.392 119.171 120.570 -0.013 0.000 4.228 362 I HA -0.004 4.166 4.170 0.000 0.000 0.298 362 I C 1.418 177.549 176.117 0.023 0.000 1.206 362 I CA 0.164 61.467 61.300 0.005 0.000 1.322 362 I CB 0.382 38.383 38.000 0.002 0.000 1.411 362 I HN 0.038 nan 8.210 nan 0.000 0.454 363 V N -0.900 119.023 119.914 0.016 0.000 3.647 363 V HA 0.614 4.734 4.120 0.000 0.000 0.279 363 V C 0.792 176.965 176.094 0.132 0.000 1.314 363 V CA 0.279 62.607 62.300 0.046 0.000 1.125 363 V CB -0.735 30.959 31.823 -0.216 0.000 0.907 363 V HN 0.468 nan 8.190 nan 0.000 0.434 364 G N 1.043 109.897 108.800 0.090 0.000 2.705 364 G HA2 -0.132 3.828 3.960 0.000 0.000 0.686 364 G HA3 -0.132 3.828 3.960 0.000 0.000 0.686 364 G C 0.405 175.385 174.900 0.134 0.000 1.285 364 G CA 0.231 45.390 45.100 0.098 0.000 0.800 364 G HN 1.359 nan 8.290 nan 0.000 0.611 365 S N -0.359 115.402 115.700 0.103 0.000 2.428 365 S HA -0.035 4.436 4.470 0.000 0.000 0.230 365 S C 1.702 176.412 174.600 0.182 0.000 1.014 365 S CA 1.651 59.934 58.200 0.139 0.000 0.957 365 S CB 0.012 63.255 63.200 0.071 0.000 0.784 365 S HN 0.862 nan 8.310 nan 0.000 0.499 366 E N 1.125 121.415 120.200 0.150 0.000 2.031 366 E HA -0.266 4.084 4.350 0.000 0.000 0.193 366 E C 2.037 178.753 176.600 0.193 0.000 0.994 366 E CA 1.380 57.863 56.400 0.140 0.000 0.800 366 E CB -0.337 29.425 29.700 0.104 0.000 0.752 366 E HN 0.844 nan 8.360 nan 0.000 0.447 367 H N -1.462 117.663 119.070 0.093 0.000 2.293 367 H HA -0.210 4.346 4.556 0.000 0.000 0.300 367 H C 2.133 177.508 175.328 0.079 0.000 1.082 367 H CA 1.606 57.701 56.048 0.079 0.000 1.308 367 H CB -0.122 29.686 29.762 0.077 0.000 1.375 367 H HN 0.255 nan 8.280 nan 0.000 0.495 368 Y N 1.400 121.766 120.300 0.110 0.000 2.256 368 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 368 Y C 1.523 177.447 175.900 0.041 0.000 1.155 368 Y CA 1.842 59.951 58.100 0.016 0.000 1.203 368 Y CB -0.033 38.420 38.460 -0.011 0.000 0.980 368 Y HN 0.368 nan 8.280 nan 0.000 0.530 369 D N -1.297 119.201 120.400 0.163 0.000 2.271 369 D HA -0.078 4.563 4.640 0.000 0.000 0.206 369 D C 2.285 178.598 176.300 0.020 0.000 0.967 369 D CA 0.980 55.031 54.000 0.085 0.000 0.867 369 D CB -0.143 40.739 40.800 0.137 0.000 0.960 369 D HN 0.292 nan 8.370 nan 0.000 0.509 370 V N 1.416 121.360 119.914 0.050 0.000 2.323 370 V HA -0.139 3.982 4.120 0.000 0.000 0.244 370 V C 2.538 178.616 176.094 -0.026 0.000 1.041 370 V CA 1.564 63.892 62.300 0.046 0.000 1.025 370 V CB -0.793 31.087 31.823 0.094 0.000 0.656 370 V HN 0.146 nan 8.190 nan 0.000 0.451 371 A N 0.513 123.312 122.820 -0.035 0.000 1.849 371 A HA -0.253 4.067 4.320 0.000 0.000 0.217 371 A C 2.285 179.758 177.584 -0.185 0.000 1.202 371 A CA 1.963 53.929 52.037 -0.118 0.000 0.629 371 A CB -0.575 18.340 19.000 -0.141 0.000 0.834 371 A HN 0.395 nan 8.150 nan 0.000 0.447 372 R N -0.365 119.972 120.500 -0.272 0.000 2.189 372 R HA -0.072 4.269 4.340 0.000 0.000 0.223 372 R C 2.201 178.431 176.300 -0.116 0.000 1.092 372 R CA 1.027 56.986 56.100 -0.235 0.000 0.989 372 R CB -1.419 28.698 30.300 -0.303 0.000 0.876 372 R HN 0.589 nan 8.270 nan 0.000 0.457 373 G N 0.197 108.949 108.800 -0.081 0.000 2.394 373 G HA2 -0.169 3.792 3.960 0.000 0.000 0.214 373 G HA3 -0.169 3.792 3.960 0.000 0.000 0.214 373 G C 1.553 176.435 174.900 -0.030 0.000 1.176 373 G CA 0.486 45.568 45.100 -0.030 0.000 0.786 373 G HN 0.143 nan 8.290 nan 0.000 0.533 374 V N 0.856 120.736 119.914 -0.055 0.000 2.287 374 V HA -0.267 3.853 4.120 0.000 0.000 0.248 374 V C 2.971 179.029 176.094 -0.059 0.000 1.053 374 V CA 2.358 64.618 62.300 -0.067 0.000 1.027 374 V CB -0.637 31.069 31.823 -0.195 0.000 0.646 374 V HN 0.457 nan 8.190 nan 0.000 0.447 375 Q N -0.277 119.474 119.800 -0.081 0.000 2.124 375 Q HA -0.268 4.072 4.340 0.000 0.000 0.202 375 Q C 2.357 178.336 176.000 -0.035 0.000 0.977 375 Q CA 1.762 57.527 55.803 -0.063 0.000 0.850 375 Q CB -0.284 28.404 28.738 -0.083 0.000 0.901 375 Q HN 0.586 nan 8.270 nan 0.000 0.429 376 K N 1.043 121.423 120.400 -0.033 0.000 2.057 376 K HA -0.142 4.178 4.320 0.000 0.000 0.207 376 K C 1.974 178.579 176.600 0.007 0.000 1.049 376 K CA 0.958 57.237 56.287 -0.014 0.000 0.931 376 K CB -0.085 32.407 32.500 -0.013 0.000 0.714 376 K HN 0.202 nan 8.250 nan 0.000 0.440 377 I N 0.927 121.504 120.570 0.013 0.000 2.353 377 I HA -0.232 3.938 4.170 0.000 0.000 0.248 377 I C 1.732 177.892 176.117 0.072 0.000 1.119 377 I CA 0.900 62.220 61.300 0.034 0.000 1.417 377 I CB 0.145 38.160 38.000 0.024 0.000 1.078 377 I HN 0.202 nan 8.210 nan 0.000 0.421 378 L N 0.028 121.289 121.223 0.063 0.000 2.217 378 L HA -0.173 4.167 4.340 0.000 0.000 0.211 378 L C 2.470 179.378 176.870 0.063 0.000 1.107 378 L CA 0.686 55.588 54.840 0.102 0.000 0.783 378 L CB -0.577 41.518 42.059 0.060 0.000 0.919 378 L HN 0.281 nan 8.230 nan 0.000 0.442 379 Q N 0.487 120.303 119.800 0.025 0.000 2.079 379 Q HA -0.191 4.149 4.340 0.000 0.000 0.200 379 Q C 1.693 177.703 176.000 0.016 0.000 0.974 379 Q CA 1.693 57.496 55.803 0.000 0.000 0.840 379 Q CB -0.048 28.683 28.738 -0.012 0.000 0.898 379 Q HN 0.351 nan 8.270 nan 0.000 0.430 380 D N -0.881 119.546 120.400 0.045 0.000 2.117 380 D HA -0.162 4.478 4.640 0.000 0.000 0.197 380 D C 1.545 177.914 176.300 0.115 0.000 0.987 380 D CA 1.088 55.123 54.000 0.059 0.000 0.829 380 D CB -0.442 40.390 40.800 0.055 0.000 0.961 380 D HN 0.329 nan 8.370 nan 0.000 0.460 381 Y N 1.975 122.267 120.300 -0.012 0.000 2.181 381 Y HA -0.171 4.380 4.550 0.000 0.000 0.288 381 Y C 2.160 178.053 175.900 -0.012 0.000 1.146 381 Y CA 1.426 59.520 58.100 -0.010 0.000 1.164 381 Y CB -0.434 38.021 38.460 -0.010 0.000 0.982 381 Y HN -0.169 nan 8.280 nan 0.000 0.515 382 K N 0.058 120.381 120.400 -0.127 0.000 2.074 382 K HA -0.186 4.134 4.320 0.000 0.000 0.209 382 K C 2.234 178.758 176.600 -0.127 0.000 1.048 382 K CA 2.156 58.312 56.287 -0.219 0.000 0.926 382 K CB -0.255 32.164 32.500 -0.134 0.000 0.713 382 K HN 0.491 nan 8.250 nan 0.000 0.444 383 S N 0.438 116.109 115.700 -0.049 0.000 2.406 383 S HA -0.064 4.406 4.470 0.000 0.000 0.228 383 S C 1.941 176.534 174.600 -0.012 0.000 1.020 383 S CA 0.705 58.887 58.200 -0.030 0.000 0.965 383 S CB -0.376 62.816 63.200 -0.013 0.000 0.798 383 S HN 0.250 nan 8.310 nan 0.000 0.488 384 L N 1.039 122.277 121.223 0.024 0.000 2.201 384 L HA -0.078 4.262 4.340 0.000 0.000 0.212 384 L C 2.947 179.834 176.870 0.029 0.000 1.105 384 L CA 1.038 55.910 54.840 0.052 0.000 0.775 384 L CB -0.649 41.484 42.059 0.123 0.000 0.913 384 L HN 0.360 nan 8.230 nan 0.000 0.440 385 Q N 0.012 119.793 119.800 -0.032 0.000 2.217 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.209 385 Q C 1.669 177.647 176.000 -0.037 0.000 0.988 385 Q CA 2.142 57.904 55.803 -0.069 0.000 0.878 385 Q CB -0.092 28.515 28.738 -0.219 0.000 0.909 385 Q HN 0.469 nan 8.270 nan 0.000 0.424 386 D N -0.377 120.003 120.400 -0.034 0.000 2.084 386 D HA -0.156 4.484 4.640 0.000 0.000 0.194 386 D C 1.552 177.848 176.300 -0.007 0.000 0.990 386 D CA 1.320 55.306 54.000 -0.023 0.000 0.826 386 D CB 0.055 40.842 40.800 -0.022 0.000 0.971 386 D HN 0.213 nan 8.370 nan 0.000 0.453 387 I N 0.421 120.993 120.570 0.002 0.000 2.202 387 I HA -0.189 3.981 4.170 0.000 0.000 0.242 387 I C 1.953 178.080 176.117 0.018 0.000 1.091 387 I CA 0.476 61.782 61.300 0.010 0.000 1.368 387 I CB -0.352 37.657 38.000 0.015 0.000 1.058 387 I HN 0.067 nan 8.210 nan 0.000 0.410 388 I N 1.722 122.310 120.570 0.030 0.000 2.248 388 I HA -0.311 3.860 4.170 0.000 0.000 0.248 388 I C 2.807 178.941 176.117 0.029 0.000 1.107 388 I CA 1.715 63.041 61.300 0.044 0.000 1.373 388 I CB -1.861 36.188 38.000 0.083 0.000 1.055 388 I HN 0.247 nan 8.210 nan 0.000 0.418 389 A N 0.704 123.533 122.820 0.016 0.000 1.972 389 A HA -0.140 4.180 4.320 0.000 0.000 0.219 389 A C 2.188 179.776 177.584 0.007 0.000 1.169 389 A CA 1.430 53.471 52.037 0.007 0.000 0.635 389 A CB -0.310 18.686 19.000 -0.006 0.000 0.810 389 A HN 0.319 nan 8.150 nan 0.000 0.446 390 I N -1.352 119.222 120.570 0.007 0.000 2.947 390 I HA 0.094 4.264 4.170 0.000 0.000 0.263 390 I C 1.852 177.974 176.117 0.008 0.000 1.130 390 I CA 0.789 62.092 61.300 0.005 0.000 1.448 390 I CB -1.125 36.877 38.000 0.003 0.000 1.222 390 I HN 0.202 nan 8.210 nan 0.000 0.453 391 L N 0.256 121.486 121.223 0.010 0.000 2.640 391 L HA 0.363 4.703 4.340 0.000 0.000 0.230 391 L C 1.202 178.081 176.870 0.015 0.000 1.123 391 L CA 0.251 55.098 54.840 0.012 0.000 0.900 391 L CB -0.402 41.663 42.059 0.011 0.000 1.146 391 L HN 0.418 nan 8.230 nan 0.000 0.484 392 G N 0.777 109.589 108.800 0.020 0.000 2.601 392 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 392 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 392 G C 0.328 175.244 174.900 0.027 0.000 1.294 392 G CA 0.347 45.462 45.100 0.024 0.000 0.912 392 G HN 0.115 nan 8.290 nan 0.000 0.574 393 M N 0.283 119.898 119.600 0.024 0.000 2.501 393 M HA 0.102 4.582 4.480 0.000 0.000 0.261 393 M C 2.057 178.365 176.300 0.014 0.000 1.129 393 M CA 1.087 56.399 55.300 0.021 0.000 1.126 393 M CB -0.176 32.433 32.600 0.015 0.000 1.359 393 M HN 0.588 nan 8.290 nan 0.000 0.471 394 D N 0.992 121.399 120.400 0.012 0.000 2.230 394 D HA -0.246 4.394 4.640 0.000 0.000 0.189 394 D C 1.463 177.769 176.300 0.009 0.000 1.006 394 D CA 1.702 55.708 54.000 0.010 0.000 0.853 394 D CB -0.391 40.414 40.800 0.009 0.000 0.959 394 D HN 0.282 nan 8.370 nan 0.000 0.449 395 E N 0.062 120.269 120.200 0.010 0.000 2.472 395 E HA 0.053 4.403 4.350 0.000 0.000 0.200 395 E C 0.426 177.032 176.600 0.011 0.000 1.046 395 E CA -0.080 56.326 56.400 0.010 0.000 0.871 395 E CB -0.124 29.581 29.700 0.010 0.000 0.806 395 E HN 0.330 nan 8.360 nan 0.000 0.533 396 L N 0.734 121.964 121.223 0.013 0.000 2.439 396 L HA 0.065 4.405 4.340 0.000 0.000 0.269 396 L C 0.840 177.715 176.870 0.009 0.000 1.179 396 L CA -0.251 54.596 54.840 0.013 0.000 0.828 396 L CB 0.800 42.868 42.059 0.015 0.000 1.106 396 L HN 0.060 nan 8.230 nan 0.000 0.467 397 S N 1.285 116.990 115.700 0.009 0.000 2.579 397 S HA -0.027 4.443 4.470 0.000 0.000 0.275 397 S C 0.962 175.565 174.600 0.004 0.000 1.345 397 S CA -0.394 57.810 58.200 0.006 0.000 1.031 397 S CB 1.228 64.432 63.200 0.007 0.000 0.892 397 S HN 0.651 nan 8.310 nan 0.000 0.529 398 E N 1.798 121.999 120.200 0.003 0.000 2.118 398 E HA -0.154 4.196 4.350 0.000 0.000 0.195 398 E C 1.847 178.447 176.600 -0.001 0.000 0.992 398 E CA 1.994 58.395 56.400 0.001 0.000 0.804 398 E CB -0.199 29.502 29.700 0.001 0.000 0.741 398 E HN 0.870 nan 8.360 nan 0.000 0.458 399 E N -0.285 119.915 120.200 0.000 0.000 2.047 399 E HA -0.178 4.172 4.350 0.000 0.000 0.191 399 E C 1.450 178.049 176.600 -0.002 0.000 0.987 399 E CA 1.231 57.631 56.400 -0.001 0.000 0.799 399 E CB 0.003 29.705 29.700 0.002 0.000 0.752 399 E HN 0.192 nan 8.360 nan 0.000 0.449 400 D N 0.524 120.926 120.400 0.002 0.000 2.144 400 D HA -0.138 4.502 4.640 0.000 0.000 0.199 400 D C 1.687 177.983 176.300 -0.007 0.000 0.984 400 D CA 1.062 55.066 54.000 0.005 0.000 0.834 400 D CB -0.007 40.802 40.800 0.016 0.000 0.955 400 D HN 0.149 nan 8.370 nan 0.000 0.465 401 K N 0.016 120.410 120.400 -0.010 0.000 2.280 401 K HA -0.099 4.221 4.320 0.000 0.000 0.202 401 K C 1.873 178.448 176.600 -0.042 0.000 1.047 401 K CA 0.230 56.502 56.287 -0.025 0.000 0.942 401 K CB 0.060 32.551 32.500 -0.015 0.000 0.739 401 K HN 0.058 nan 8.250 nan 0.000 0.457 402 L N 0.953 122.157 121.223 -0.031 0.000 2.270 402 L HA -0.095 4.245 4.340 0.000 0.000 0.210 402 L C 2.398 179.235 176.870 -0.055 0.000 1.104 402 L CA 1.616 56.434 54.840 -0.036 0.000 0.804 402 L CB -0.569 41.479 42.059 -0.019 0.000 0.937 402 L HN 0.259 nan 8.230 nan 0.000 0.450 403 T N -3.775 110.749 114.554 -0.049 0.000 2.737 403 T HA -0.138 4.212 4.350 0.000 0.000 0.265 403 T C 1.857 176.474 174.700 -0.139 0.000 1.038 403 T CA 1.570 63.637 62.100 -0.056 0.000 1.144 403 T CB -0.971 67.889 68.868 -0.013 0.000 0.866 403 T HN 0.086 nan 8.240 nan 0.000 0.434 404 V N 2.428 122.238 119.914 -0.174 0.000 2.282 404 V HA -0.218 3.903 4.120 0.000 0.000 0.249 404 V C 3.125 179.009 176.094 -0.350 0.000 1.057 404 V CA 2.314 64.388 62.300 -0.377 0.000 1.032 404 V CB -1.252 30.425 31.823 -0.243 0.000 0.645 404 V HN 0.619 nan 8.190 nan 0.000 0.447 405 S N -0.105 115.480 115.700 -0.191 0.000 2.351 405 S HA -0.247 4.223 4.470 0.000 0.000 0.220 405 S C 2.080 176.578 174.600 -0.170 0.000 1.035 405 S CA 1.739 59.851 58.200 -0.147 0.000 1.031 405 S CB -0.436 62.716 63.200 -0.080 0.000 0.928 405 S HN 0.509 nan 8.310 nan 0.000 0.433 406 R N 1.243 121.655 120.500 -0.146 0.000 2.091 406 R HA -0.031 4.309 4.340 0.000 0.000 0.238 406 R C 2.621 178.836 176.300 -0.141 0.000 1.136 406 R CA 1.282 57.299 56.100 -0.138 0.000 0.959 406 R CB -0.601 29.651 30.300 -0.080 0.000 0.856 406 R HN 0.460 nan 8.270 nan 0.000 0.437 407 A N 0.982 123.703 122.820 -0.166 0.000 1.902 407 A HA -0.168 4.152 4.320 0.000 0.000 0.217 407 A C 2.004 179.518 177.584 -0.116 0.000 1.181 407 A CA 1.291 53.253 52.037 -0.124 0.000 0.623 407 A CB -0.333 18.550 19.000 -0.195 0.000 0.818 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 R N -0.441 119.915 120.500 -0.241 0.000 2.189 408 R HA -0.018 4.322 4.340 0.000 0.000 0.218 408 R C 1.854 178.111 176.300 -0.072 0.000 1.074 408 R CA 1.286 57.313 56.100 -0.122 0.000 0.991 408 R CB -0.129 30.079 30.300 -0.154 0.000 0.883 408 R HN 0.492 nan 8.270 nan 0.000 0.457 409 K N 0.096 120.387 120.400 -0.181 0.000 2.211 409 K HA 0.068 4.388 4.320 0.000 0.000 0.201 409 K C 1.863 178.284 176.600 -0.297 0.000 1.052 409 K CA 0.618 56.665 56.287 -0.401 0.000 0.973 409 K CB 0.203 32.214 32.500 -0.815 0.000 0.766 409 K HN 0.085 nan 8.250 nan 0.000 0.466 410 I N 1.270 121.788 120.570 -0.087 0.000 2.286 410 I HA -0.238 3.933 4.170 0.000 0.000 0.245 410 I C 2.639 178.909 176.117 0.255 0.000 1.104 410 I CA 1.112 62.526 61.300 0.191 0.000 1.397 410 I CB 0.025 38.144 38.000 0.198 0.000 1.072 410 I HN 0.194 nan 8.210 nan 0.000 0.417 411 Q N 0.507 120.393 119.800 0.143 0.000 2.061 411 Q HA -0.248 4.092 4.340 0.000 0.000 0.204 411 Q C 2.370 178.467 176.000 0.162 0.000 0.984 411 Q CA 1.764 57.653 55.803 0.143 0.000 0.846 411 Q CB 0.057 28.879 28.738 0.140 0.000 0.902 411 Q HN 0.364 nan 8.270 nan 0.000 0.421 412 R N -0.779 119.827 120.500 0.176 0.000 2.075 412 R HA -0.111 4.230 4.340 0.000 0.000 0.232 412 R C 1.983 178.431 176.300 0.248 0.000 1.126 412 R CA 1.242 57.491 56.100 0.248 0.000 0.963 412 R CB -0.299 30.187 30.300 0.310 0.000 0.858 412 R HN 0.214 nan 8.270 nan 0.000 0.435 413 F N 1.060 121.061 119.950 0.085 0.000 2.494 413 F HA -0.059 4.468 4.527 0.000 0.000 0.298 413 F C 1.380 177.273 175.800 0.154 0.000 1.106 413 F CA 1.009 59.030 58.000 0.035 0.000 1.452 413 F CB 0.051 38.926 39.000 -0.207 0.000 1.085 413 F HN -0.034 nan 8.300 nan 0.000 0.569 414 L N -0.571 120.761 121.223 0.182 0.000 2.395 414 L HA -0.021 4.319 4.340 0.000 0.000 0.218 414 L C 1.470 178.312 176.870 -0.048 0.000 1.130 414 L CA 0.345 55.253 54.840 0.113 0.000 0.826 414 L CB -0.750 41.373 42.059 0.107 0.000 0.941 414 L HN 0.113 nan 8.230 nan 0.000 0.451 415 S N -0.183 115.465 115.700 -0.088 0.000 2.632 415 S HA 0.432 4.902 4.470 0.000 0.000 0.267 415 S C -0.350 174.099 174.600 -0.251 0.000 1.276 415 S CA -0.540 57.554 58.200 -0.176 0.000 0.998 415 S CB 1.900 64.959 63.200 -0.235 0.000 0.953 415 S HN 0.288 nan 8.310 nan 0.000 0.547 416 Q N 0.019 119.647 119.800 -0.287 0.000 2.617 416 Q HA 0.356 4.696 4.340 0.000 0.000 0.270 416 Q C -3.322 172.511 176.000 -0.278 0.000 0.967 416 Q CA -1.659 53.996 55.803 -0.248 0.000 0.887 416 Q CB 2.015 30.674 28.738 -0.132 0.000 1.516 416 Q HN 0.532 nan 8.270 nan 0.000 0.395 417 P HA 0.288 nan 4.420 nan 0.000 0.282 417 P C -1.111 176.275 177.300 0.142 0.000 1.262 417 P CA -0.113 62.935 63.100 -0.087 0.000 0.773 417 P CB 0.217 31.892 31.700 -0.042 0.000 0.879 418 F N 1.698 121.654 119.950 0.009 0.000 2.399 418 F HA 0.280 4.807 4.527 0.000 0.000 0.334 418 F C 2.127 177.944 175.800 0.029 0.000 1.097 418 F CA -1.140 56.871 58.000 0.019 0.000 1.076 418 F CB 1.077 40.093 39.000 0.027 0.000 1.162 418 F HN 0.437 nan 8.300 nan 0.000 0.495 419 Q N 1.696 121.609 119.800 0.188 0.000 2.002 419 Q HA -0.133 4.207 4.340 0.000 0.000 0.204 419 Q C 1.454 177.525 176.000 0.119 0.000 0.988 419 Q CA 2.509 58.377 55.803 0.108 0.000 0.843 419 Q CB -0.180 28.589 28.738 0.051 0.000 0.908 419 Q HN 0.525 nan 8.270 nan 0.000 0.420 420 V N 0.940 120.926 119.914 0.120 0.000 2.636 420 V HA -0.261 3.859 4.120 0.000 0.000 0.258 420 V C 1.852 178.064 176.094 0.196 0.000 1.092 420 V CA 1.781 64.158 62.300 0.127 0.000 1.110 420 V CB -0.834 31.047 31.823 0.097 0.000 0.685 420 V HN 0.535 nan 8.190 nan 0.000 0.481 421 A N -1.375 121.595 122.820 0.251 0.000 2.535 421 A HA 0.244 4.564 4.320 0.000 0.000 0.273 421 A C 1.691 179.401 177.584 0.210 0.000 1.267 421 A CA -0.112 52.092 52.037 0.278 0.000 0.940 421 A CB -0.132 18.979 19.000 0.185 0.000 1.101 421 A HN 0.508 nan 8.150 nan 0.000 0.521 422 E N -0.056 120.222 120.200 0.132 0.000 2.085 422 E HA -0.176 4.175 4.350 0.000 0.000 0.194 422 E C 1.606 178.212 176.600 0.009 0.000 0.994 422 E CA 1.660 58.108 56.400 0.079 0.000 0.801 422 E CB -0.242 29.490 29.700 0.054 0.000 0.743 422 E HN 0.468 nan 8.360 nan 0.000 0.453 423 V N 0.243 120.097 119.914 -0.100 0.000 2.828 423 V HA -0.217 3.903 4.120 0.000 0.000 0.260 423 V C 1.459 177.327 176.094 -0.377 0.000 1.101 423 V CA 1.544 63.666 62.300 -0.298 0.000 1.123 423 V CB -0.618 30.864 31.823 -0.567 0.000 0.704 423 V HN 0.196 nan 8.190 nan 0.000 0.493 424 F N 0.162 120.108 119.950 -0.006 0.000 2.637 424 F HA 0.066 4.594 4.527 0.000 0.000 0.284 424 F C 2.544 178.352 175.800 0.014 0.000 1.105 424 F CA 0.899 58.889 58.000 -0.017 0.000 1.356 424 F CB -0.655 38.304 39.000 -0.068 0.000 1.096 424 F HN 0.153 nan 8.300 nan 0.000 0.616 425 T N -2.764 111.920 114.554 0.218 0.000 3.023 425 T HA 0.249 4.600 4.350 0.000 0.000 0.266 425 T C 1.949 176.797 174.700 0.247 0.000 1.093 425 T CA 0.896 63.150 62.100 0.256 0.000 1.129 425 T CB -0.344 68.670 68.868 0.243 0.000 0.899 425 T HN 0.468 nan 8.240 nan 0.000 0.491 426 G N 1.003 109.855 108.800 0.088 0.000 2.148 426 G HA2 -0.206 3.754 3.960 0.000 0.000 0.254 426 G HA3 -0.206 3.754 3.960 0.000 0.000 0.254 426 G C -0.147 174.645 174.900 -0.181 0.000 0.981 426 G CA 0.431 45.485 45.100 -0.076 0.000 0.670 426 G HN 0.846 nan 8.290 nan 0.000 0.528 427 H N -1.801 117.286 119.070 0.027 0.000 2.865 427 H HA 0.670 5.226 4.556 0.000 0.000 0.372 427 H C -0.093 175.247 175.328 0.021 0.000 1.173 427 H CA -0.998 55.063 56.048 0.021 0.000 1.147 427 H CB 1.436 31.209 29.762 0.018 0.000 1.805 427 H HN 0.199 nan 8.280 nan 0.000 0.553 428 L N 1.684 123.005 121.223 0.162 0.000 2.410 428 L HA 0.302 4.642 4.340 0.000 0.000 0.273 428 L C 0.903 177.828 176.870 0.092 0.000 1.144 428 L CA 0.280 55.178 54.840 0.096 0.000 0.863 428 L CB 0.205 42.305 42.059 0.068 0.000 1.140 428 L HN 0.884 nan 8.230 nan 0.000 0.463 429 G N 4.335 113.188 108.800 0.088 0.000 2.414 429 G HA2 0.158 4.118 3.960 0.000 0.000 0.236 429 G HA3 0.158 4.118 3.960 0.000 0.000 0.236 429 G C -0.440 174.505 174.900 0.075 0.000 1.293 429 G CA -0.434 44.726 45.100 0.101 0.000 0.869 429 G HN 0.482 nan 8.290 nan 0.000 0.556 430 K N 0.513 120.961 120.400 0.081 0.000 2.318 430 K HA 0.494 4.815 4.320 0.000 0.000 0.249 430 K C -1.277 175.358 176.600 0.059 0.000 0.942 430 K CA -1.076 55.243 56.287 0.053 0.000 0.808 430 K CB 2.506 35.022 32.500 0.026 0.000 1.189 430 K HN 0.292 nan 8.250 nan 0.000 0.428 431 L N 2.528 123.773 121.223 0.036 0.000 2.345 431 L HA 0.353 4.693 4.340 0.000 0.000 0.274 431 L C -1.291 175.591 176.870 0.021 0.000 0.999 431 L CA -0.728 54.127 54.840 0.025 0.000 0.849 431 L CB 1.569 43.637 42.059 0.015 0.000 1.220 431 L HN 0.281 nan 8.230 nan 0.000 0.422 432 V N 6.967 126.891 119.914 0.017 0.000 2.407 432 V HA 0.508 4.628 4.120 0.000 0.000 0.278 432 V C -1.991 174.114 176.094 0.018 0.000 1.037 432 V CA -1.570 60.741 62.300 0.019 0.000 0.900 432 V CB 1.270 33.099 31.823 0.010 0.000 0.983 432 V HN 0.664 nan 8.190 nan 0.000 0.459 433 P HA 0.126 nan 4.420 nan 0.000 0.271 433 P C 0.709 178.019 177.300 0.017 0.000 1.216 433 P CA -0.405 62.707 63.100 0.020 0.000 0.776 433 P CB 0.826 32.539 31.700 0.023 0.000 0.881 434 L N 4.714 125.939 121.223 0.004 0.000 1.991 434 L HA -0.267 4.073 4.340 0.000 0.000 0.221 434 L C 2.226 179.078 176.870 -0.029 0.000 1.079 434 L CA 2.347 57.172 54.840 -0.025 0.000 0.778 434 L CB -1.307 40.734 42.059 -0.029 0.000 0.893 434 L HN 0.470 nan 8.230 nan 0.000 0.437 435 K N -1.653 118.742 120.400 -0.007 0.000 2.211 435 K HA -0.176 4.144 4.320 0.000 0.000 0.204 435 K C 1.623 178.244 176.600 0.035 0.000 1.047 435 K CA 1.579 57.870 56.287 0.006 0.000 0.935 435 K CB -0.427 32.083 32.500 0.018 0.000 0.728 435 K HN 0.350 nan 8.250 nan 0.000 0.452 436 E N 0.833 121.061 120.200 0.047 0.000 2.152 436 E HA -0.068 4.282 4.350 0.000 0.000 0.192 436 E C 1.889 178.565 176.600 0.127 0.000 0.983 436 E CA 1.339 57.785 56.400 0.077 0.000 0.818 436 E CB -0.228 29.514 29.700 0.070 0.000 0.758 436 E HN 0.442 nan 8.360 nan 0.000 0.467 437 T N 2.156 116.781 114.554 0.119 0.000 2.770 437 T HA -0.025 4.325 4.350 0.000 0.000 0.258 437 T C 2.031 176.895 174.700 0.273 0.000 1.039 437 T CA 0.598 62.829 62.100 0.218 0.000 1.143 437 T CB -0.040 68.910 68.868 0.136 0.000 0.866 437 T HN 0.049 nan 8.240 nan 0.000 0.428 438 I N 1.739 122.365 120.570 0.093 0.000 2.151 438 I HA -0.206 3.964 4.170 0.000 0.000 0.243 438 I C 2.439 178.647 176.117 0.153 0.000 1.080 438 I CA 1.653 62.994 61.300 0.069 0.000 1.339 438 I CB -1.089 36.888 38.000 -0.039 0.000 1.039 438 I HN 0.287 nan 8.210 nan 0.000 0.409 439 K N 1.220 121.692 120.400 0.119 0.000 1.969 439 K HA -0.169 4.151 4.320 0.000 0.000 0.216 439 K C 2.249 178.923 176.600 0.123 0.000 1.048 439 K CA 1.968 58.320 56.287 0.108 0.000 0.948 439 K CB -0.661 31.888 32.500 0.083 0.000 0.726 439 K HN 0.322 nan 8.250 nan 0.000 0.442 440 G N 0.383 109.251 108.800 0.113 0.000 2.545 440 G HA2 -0.275 3.685 3.960 0.000 0.000 0.222 440 G HA3 -0.275 3.685 3.960 0.000 0.000 0.222 440 G C 1.300 176.137 174.900 -0.105 0.000 1.126 440 G CA 1.199 46.284 45.100 -0.026 0.000 0.754 440 G HN 0.311 nan 8.290 nan 0.000 0.583 441 F N 0.606 120.663 119.950 0.179 0.000 2.293 441 F HA 0.089 4.616 4.527 0.000 0.000 0.297 441 F C 2.996 178.839 175.800 0.072 0.000 1.089 441 F CA 1.122 59.205 58.000 0.140 0.000 1.377 441 F CB -0.346 38.745 39.000 0.152 0.000 1.051 441 F HN 0.175 nan 8.300 nan 0.000 0.511 442 Q N 0.113 120.045 119.800 0.219 0.000 1.975 442 Q HA -0.296 4.044 4.340 0.000 0.000 0.205 442 Q C 2.201 178.252 176.000 0.085 0.000 0.990 442 Q CA 2.183 58.065 55.803 0.131 0.000 0.845 442 Q CB -0.516 28.278 28.738 0.094 0.000 0.913 442 Q HN 0.463 nan 8.270 nan 0.000 0.420 443 Q N 0.303 120.143 119.800 0.066 0.000 2.118 443 Q HA -0.230 4.110 4.340 0.000 0.000 0.211 443 Q C 2.138 178.157 176.000 0.031 0.000 0.998 443 Q CA 1.797 57.611 55.803 0.017 0.000 0.872 443 Q CB -0.423 28.347 28.738 0.054 0.000 0.925 443 Q HN 0.446 nan 8.270 nan 0.000 0.414 444 I N 0.435 121.053 120.570 0.079 0.000 2.151 444 I HA -0.323 3.847 4.170 0.000 0.000 0.243 444 I C 2.328 178.456 176.117 0.018 0.000 1.080 444 I CA 1.186 62.505 61.300 0.032 0.000 1.339 444 I CB -0.446 37.492 38.000 -0.104 0.000 1.039 444 I HN 0.244 nan 8.210 nan 0.000 0.409 445 L N 0.727 121.984 121.223 0.057 0.000 2.012 445 L HA -0.209 4.132 4.340 0.000 0.000 0.210 445 L C 2.632 179.513 176.870 0.018 0.000 1.073 445 L CA 1.507 56.375 54.840 0.047 0.000 0.748 445 L CB -0.619 41.484 42.059 0.074 0.000 0.891 445 L HN 0.271 nan 8.230 nan 0.000 0.431 446 A N -0.428 122.399 122.820 0.013 0.000 2.248 446 A HA 0.110 4.431 4.320 0.000 0.000 0.210 446 A C 1.666 179.234 177.584 -0.027 0.000 1.174 446 A CA 0.871 52.904 52.037 -0.008 0.000 0.750 446 A CB -0.840 18.151 19.000 -0.015 0.000 0.780 446 A HN 0.638 nan 8.150 nan 0.000 0.478 447 G N -0.695 108.090 108.800 -0.025 0.000 2.153 447 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 447 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 447 G C 0.366 175.236 174.900 -0.051 0.000 0.994 447 G CA 0.568 45.654 45.100 -0.022 0.000 0.698 447 G HN 0.669 nan 8.290 nan 0.000 0.521 448 E N -1.164 118.943 120.200 -0.154 0.000 2.511 448 E HA 0.148 4.498 4.350 0.000 0.000 0.196 448 E C 0.405 176.696 176.600 -0.515 0.000 1.066 448 E CA 0.415 56.606 56.400 -0.348 0.000 0.871 448 E CB 0.080 29.467 29.700 -0.522 0.000 0.863 448 E HN 0.711 nan 8.360 nan 0.000 0.520 449 Y N -0.906 119.432 120.300 0.063 0.000 2.809 449 Y HA 0.122 4.672 4.550 0.000 0.000 0.251 449 Y C 0.434 176.253 175.900 -0.135 0.000 1.136 449 Y CA -0.820 57.215 58.100 -0.108 0.000 1.185 449 Y CB 0.485 38.954 38.460 0.015 0.000 1.260 449 Y HN -0.076 nan 8.280 nan 0.000 0.576 450 D N -0.298 120.173 120.400 0.119 0.000 2.351 450 D HA -0.148 4.492 4.640 0.000 0.000 0.216 450 D C 1.977 178.344 176.300 0.112 0.000 0.968 450 D CA 1.326 55.380 54.000 0.091 0.000 0.899 450 D CB -0.071 40.775 40.800 0.076 0.000 0.907 450 D HN 0.601 nan 8.370 nan 0.000 0.514 451 H N -0.660 118.477 119.070 0.112 0.000 2.465 451 H HA 0.115 4.671 4.556 0.000 0.000 0.289 451 H C 1.082 176.472 175.328 0.104 0.000 1.022 451 H CA -0.080 56.020 56.048 0.086 0.000 1.340 451 H CB -0.386 29.413 29.762 0.063 0.000 1.437 451 H HN 0.078 nan 8.280 nan 0.000 0.539 452 L N 2.911 123.931 121.223 -0.338 0.000 2.473 452 L HA 0.177 4.518 4.340 0.000 0.000 0.268 452 L C -1.974 174.917 176.870 0.036 0.000 1.215 452 L CA -1.797 52.944 54.840 -0.165 0.000 0.823 452 L CB 0.178 42.042 42.059 -0.326 0.000 1.099 452 L HN 0.131 nan 8.230 nan 0.000 0.483 453 P HA 0.176 nan 4.420 nan 0.000 0.279 453 P C -0.181 177.227 177.300 0.180 0.000 1.252 453 P CA -0.541 62.598 63.100 0.066 0.000 0.811 453 P CB 0.902 32.609 31.700 0.011 0.000 1.035 454 E N 0.743 121.070 120.200 0.212 0.000 2.033 454 E HA -0.256 4.094 4.350 0.000 0.000 0.199 454 E C 1.888 178.672 176.600 0.307 0.000 1.011 454 E CA 1.308 57.897 56.400 0.316 0.000 0.815 454 E CB -0.298 29.487 29.700 0.142 0.000 0.755 454 E HN 0.523 nan 8.360 nan 0.000 0.451 455 Q N 0.515 120.394 119.800 0.131 0.000 2.325 455 Q HA -0.207 4.133 4.340 0.000 0.000 0.211 455 Q C 2.053 178.088 176.000 0.058 0.000 0.988 455 Q CA 1.531 57.388 55.803 0.089 0.000 0.887 455 Q CB -0.574 28.180 28.738 0.027 0.000 0.915 455 Q HN 0.288 nan 8.270 nan 0.000 0.440 456 A N 0.572 123.343 122.820 -0.082 0.000 1.969 456 A HA -0.054 4.267 4.320 0.000 0.000 0.218 456 A C 1.713 179.094 177.584 -0.340 0.000 1.169 456 A CA 0.944 52.793 52.037 -0.312 0.000 0.635 456 A CB -0.644 17.991 19.000 -0.609 0.000 0.810 456 A HN 0.315 nan 8.150 nan 0.000 0.445 457 F N -2.202 117.753 119.950 0.007 0.000 2.367 457 F HA 0.116 4.643 4.527 0.000 0.000 0.298 457 F C 1.044 176.934 175.800 0.151 0.000 1.094 457 F CA -0.062 57.974 58.000 0.059 0.000 1.409 457 F CB -0.594 38.429 39.000 0.037 0.000 1.064 457 F HN 0.264 nan 8.300 nan 0.000 0.528 458 Y N 1.840 122.242 120.300 0.170 0.000 2.610 458 Y HA 0.111 4.662 4.550 0.000 0.000 0.332 458 Y C 0.774 176.673 175.900 -0.002 0.000 1.201 458 Y CA -0.971 57.182 58.100 0.088 0.000 1.465 458 Y CB 0.212 38.713 38.460 0.069 0.000 1.283 458 Y HN 0.009 nan 8.280 nan 0.000 0.563 459 M N 5.868 125.072 119.600 -0.660 0.000 2.852 459 M HA -0.166 4.314 4.480 0.000 0.000 0.176 459 M C -1.240 174.844 176.300 -0.360 0.000 1.160 459 M CA 1.127 56.036 55.300 -0.650 0.000 0.702 459 M CB -2.381 29.686 32.600 -0.888 0.000 1.193 459 M HN 0.533 nan 8.290 nan 0.000 0.775 460 V N -1.880 117.915 119.914 -0.199 0.000 3.182 460 V HA 1.084 5.204 4.120 0.000 0.000 0.308 460 V C 0.440 176.491 176.094 -0.071 0.000 1.240 460 V CA -0.061 62.188 62.300 -0.084 0.000 1.063 460 V CB 1.795 33.632 31.823 0.023 0.000 1.076 460 V HN 0.500 nan 8.190 nan 0.000 0.446 461 G N 0.021 108.814 108.800 -0.011 0.000 2.992 461 G HA2 0.501 4.462 3.960 0.000 0.000 0.195 461 G HA3 0.501 4.462 3.960 0.000 0.000 0.195 461 G C -2.281 172.664 174.900 0.074 0.000 2.032 461 G CA -0.353 44.740 45.100 -0.012 0.000 0.831 461 G HN 0.788 nan 8.290 nan 0.000 0.647 462 P HA 0.090 nan 4.420 nan 0.000 0.270 462 P C 0.727 178.149 177.300 0.204 0.000 1.223 462 P CA -0.348 62.856 63.100 0.175 0.000 0.785 462 P CB 1.327 33.078 31.700 0.084 0.000 0.923 463 I N 1.528 122.167 120.570 0.115 0.000 2.286 463 I HA -0.272 3.898 4.170 0.000 0.000 0.248 463 I C 1.932 177.920 176.117 -0.215 0.000 1.115 463 I CA 1.774 62.926 61.300 -0.247 0.000 1.392 463 I CB -0.554 37.207 38.000 -0.398 0.000 1.065 463 I HN 0.301 nan 8.210 nan 0.000 0.418 464 E N 0.607 120.756 120.200 -0.086 0.000 2.171 464 E HA -0.260 4.090 4.350 0.000 0.000 0.197 464 E C 1.979 178.525 176.600 -0.089 0.000 0.997 464 E CA 1.710 58.068 56.400 -0.070 0.000 0.810 464 E CB -0.260 29.432 29.700 -0.014 0.000 0.738 464 E HN 0.626 nan 8.360 nan 0.000 0.467 465 E N -0.057 120.105 120.200 -0.064 0.000 2.285 465 E HA -0.028 4.323 4.350 0.000 0.000 0.194 465 E C 1.932 178.456 176.600 -0.126 0.000 0.997 465 E CA 0.677 57.041 56.400 -0.060 0.000 0.845 465 E CB 0.017 29.709 29.700 -0.012 0.000 0.782 465 E HN 0.285 nan 8.360 nan 0.000 0.491 466 A N 1.107 123.797 122.820 -0.218 0.000 1.970 466 A HA -0.044 4.276 4.320 0.000 0.000 0.216 466 A C 2.432 179.706 177.584 -0.516 0.000 1.170 466 A CA 0.560 52.351 52.037 -0.410 0.000 0.645 466 A CB -0.279 18.371 19.000 -0.583 0.000 0.816 466 A HN 0.083 nan 8.150 nan 0.000 0.447 467 V N -0.239 119.425 119.914 -0.417 0.000 2.323 467 V HA -0.184 3.936 4.120 0.000 0.000 0.244 467 V C 3.045 179.032 176.094 -0.179 0.000 1.041 467 V CA 1.775 63.892 62.300 -0.304 0.000 1.025 467 V CB -1.007 30.705 31.823 -0.185 0.000 0.656 467 V HN 0.597 nan 8.190 nan 0.000 0.451 468 A N -0.003 122.736 122.820 -0.135 0.000 1.851 468 A HA -0.321 3.999 4.320 0.000 0.000 0.216 468 A C 2.305 179.836 177.584 -0.087 0.000 1.195 468 A CA 2.452 54.440 52.037 -0.082 0.000 0.622 468 A CB -0.696 18.270 19.000 -0.057 0.000 0.831 468 A HN 0.508 nan 8.150 nan 0.000 0.444 469 K N -0.358 119.978 120.400 -0.107 0.000 2.173 469 K HA -0.201 4.119 4.320 0.000 0.000 0.207 469 K C 2.007 178.545 176.600 -0.103 0.000 1.046 469 K CA 1.470 57.704 56.287 -0.088 0.000 0.929 469 K CB -0.336 32.109 32.500 -0.092 0.000 0.720 469 K HN 0.421 nan 8.250 nan 0.000 0.453 470 A N 1.250 123.974 122.820 -0.160 0.000 1.930 470 A HA -0.166 4.155 4.320 0.000 0.000 0.217 470 A C 1.586 179.128 177.584 -0.070 0.000 1.175 470 A CA 1.846 53.797 52.037 -0.143 0.000 0.627 470 A CB -0.406 18.471 19.000 -0.205 0.000 0.815 470 A HN 0.388 nan 8.150 nan 0.000 0.443 471 D N -0.356 120.010 120.400 -0.056 0.000 2.097 471 D HA -0.136 4.504 4.640 0.000 0.000 0.197 471 D C 1.863 178.150 176.300 -0.021 0.000 0.984 471 D CA 1.538 55.521 54.000 -0.027 0.000 0.826 471 D CB -0.330 40.458 40.800 -0.021 0.000 0.973 471 D HN 0.516 nan 8.370 nan 0.000 0.460 472 K N 0.434 120.819 120.400 -0.025 0.000 2.152 472 K HA -0.071 4.249 4.320 0.000 0.000 0.206 472 K C 1.988 178.581 176.600 -0.012 0.000 1.048 472 K CA 0.703 56.982 56.287 -0.014 0.000 0.933 472 K CB -0.038 32.456 32.500 -0.010 0.000 0.721 472 K HN 0.129 nan 8.250 nan 0.000 0.447 473 L N 0.255 121.466 121.223 -0.020 0.000 2.395 473 L HA 0.089 4.429 4.340 0.000 0.000 0.218 473 L C 0.973 177.837 176.870 -0.010 0.000 1.130 473 L CA 0.248 55.079 54.840 -0.014 0.000 0.826 473 L CB -0.941 41.104 42.059 -0.023 0.000 0.941 473 L HN 0.310 nan 8.230 nan 0.000 0.451 474 A N 0.000 122.813 122.820 -0.011 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.034 52.037 -0.004 0.000 0.836 474 A CB 0.000 18.999 19.000 -0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486