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 2wss_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 0.000 174.649 174.700 -0.085 0.000 1.109 9 T CA 0.000 62.030 62.100 -0.116 0.000 1.349 9 T CB 0.000 68.811 68.868 -0.096 0.000 0.612 10 T N -0.173 114.389 114.554 0.013 0.000 2.900 10 T HA 0.797 5.147 4.350 -0.000 0.000 0.295 10 T C -0.347 174.605 174.700 0.420 0.000 1.044 10 T CA 0.167 62.369 62.100 0.171 0.000 0.995 10 T CB 1.428 70.361 68.868 0.107 0.000 1.072 10 T HN 1.209 nan 8.240 nan 0.000 0.473 11 G N 1.761 110.882 108.800 0.534 0.000 2.721 11 G HA2 0.735 4.695 3.960 -0.000 0.000 0.296 11 G HA3 0.735 4.695 3.960 -0.000 0.000 0.296 11 G C -1.867 173.019 174.900 -0.023 0.000 1.383 11 G CA -0.827 44.408 45.100 0.225 0.000 0.788 11 G HN 0.655 nan 8.290 nan 0.000 0.500 12 R N -0.613 119.787 120.500 -0.166 0.000 2.686 12 R HA 0.454 4.794 4.340 -0.000 0.000 0.283 12 R C -0.199 176.006 176.300 -0.157 0.000 0.978 12 R CA -0.879 55.152 56.100 -0.115 0.000 0.897 12 R CB 2.566 32.831 30.300 -0.059 0.000 1.192 12 R HN 0.427 nan 8.270 nan 0.000 0.457 13 I N 3.379 123.884 120.570 -0.108 0.000 2.828 13 I HA -0.158 4.012 4.170 -0.000 0.000 0.292 13 I C 1.368 177.437 176.117 -0.080 0.000 1.206 13 I CA 0.497 61.741 61.300 -0.093 0.000 1.420 13 I CB 0.442 38.407 38.000 -0.058 0.000 1.368 13 I HN 0.581 nan 8.210 nan 0.000 0.556 14 V N 3.156 123.019 119.914 -0.085 0.000 3.572 14 V HA 0.537 4.657 4.120 -0.000 0.000 0.260 14 V C 0.577 176.641 176.094 -0.051 0.000 1.324 14 V CA 0.336 62.598 62.300 -0.064 0.000 1.068 14 V CB 0.280 32.062 31.823 -0.068 0.000 0.837 14 V HN 0.703 nan 8.190 nan 0.000 0.450 15 A N 0.041 122.828 122.820 -0.054 0.000 2.486 15 A HA 0.850 5.170 4.320 -0.000 0.000 0.300 15 A C -1.196 176.363 177.584 -0.041 0.000 1.048 15 A CA -0.470 51.542 52.037 -0.042 0.000 0.696 15 A CB 2.365 21.342 19.000 -0.038 0.000 1.278 15 A HN 0.467 nan 8.150 nan 0.000 0.405 16 V N 2.412 122.307 119.914 -0.032 0.000 2.623 16 V HA 0.691 4.811 4.120 -0.000 0.000 0.304 16 V C -1.290 174.790 176.094 -0.023 0.000 1.054 16 V CA -0.325 61.958 62.300 -0.028 0.000 0.882 16 V CB 1.573 33.381 31.823 -0.024 0.000 1.002 16 V HN 0.878 nan 8.190 nan 0.000 0.424 17 I N 4.205 124.762 120.570 -0.022 0.000 2.611 17 I HA 0.759 4.929 4.170 -0.000 0.000 0.287 17 I C 0.423 176.530 176.117 -0.017 0.000 1.184 17 I CA 1.223 62.513 61.300 -0.018 0.000 1.054 17 I CB 1.327 39.317 38.000 -0.017 0.000 1.257 17 I HN 0.963 nan 8.210 nan 0.000 0.435 18 G N 5.902 114.694 108.800 -0.014 0.000 2.622 18 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.307 18 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.307 18 G C 0.691 175.582 174.900 -0.014 0.000 1.226 18 G CA 0.522 45.614 45.100 -0.013 0.000 0.997 18 G HN 1.794 nan 8.290 nan 0.000 0.551 19 A N -0.676 122.135 122.820 -0.014 0.000 2.462 19 A HA 0.632 4.952 4.320 -0.000 0.000 0.261 19 A C 0.363 177.937 177.584 -0.017 0.000 1.323 19 A CA 1.038 53.067 52.037 -0.014 0.000 0.913 19 A CB 0.054 19.047 19.000 -0.012 0.000 1.028 19 A HN 1.403 nan 8.150 nan 0.000 0.511 20 V N 1.075 120.977 119.914 -0.020 0.000 2.444 20 V HA 0.494 4.614 4.120 -0.000 0.000 0.294 20 V C -0.603 175.473 176.094 -0.029 0.000 1.022 20 V CA -0.500 61.785 62.300 -0.024 0.000 0.850 20 V CB 1.550 33.358 31.823 -0.024 0.000 0.992 20 V HN 0.226 nan 8.190 nan 0.000 0.426 21 V N 1.906 121.799 119.914 -0.035 0.000 2.876 21 V HA 0.682 4.802 4.120 -0.000 0.000 0.312 21 V C -1.231 174.825 176.094 -0.062 0.000 1.085 21 V CA -0.812 61.461 62.300 -0.045 0.000 0.945 21 V CB 2.516 34.314 31.823 -0.041 0.000 1.017 21 V HN 0.689 nan 8.190 nan 0.000 0.428 22 D N 1.868 122.223 120.400 -0.075 0.000 2.481 22 D HA 0.627 5.267 4.640 -0.000 0.000 0.246 22 D C -0.839 175.375 176.300 -0.143 0.000 1.109 22 D CA -0.036 53.906 54.000 -0.098 0.000 0.845 22 D CB 2.174 42.929 40.800 -0.075 0.000 1.160 22 D HN 0.371 nan 8.370 nan 0.000 0.534 23 V N 2.510 122.294 119.914 -0.216 0.000 2.581 23 V HA 0.358 4.478 4.120 -0.000 0.000 0.303 23 V C -0.096 175.710 176.094 -0.480 0.000 1.041 23 V CA -0.736 61.341 62.300 -0.371 0.000 0.907 23 V CB 2.102 33.635 31.823 -0.483 0.000 0.994 23 V HN 0.396 nan 8.190 nan 0.000 0.442 24 Q N 3.593 123.110 119.800 -0.473 0.000 2.368 24 Q HA 0.513 4.853 4.340 -0.000 0.000 0.263 24 Q C -1.705 174.089 176.000 -0.343 0.000 1.009 24 Q CA -0.307 55.293 55.803 -0.339 0.000 0.818 24 Q CB 1.013 29.661 28.738 -0.150 0.000 1.239 24 Q HN 0.665 nan 8.270 nan 0.000 0.464 25 F N 3.417 123.374 119.950 0.010 0.000 2.388 25 F HA 0.261 4.788 4.527 -0.000 0.000 0.358 25 F C 0.760 176.570 175.800 0.016 0.000 1.122 25 F CA -0.717 57.291 58.000 0.013 0.000 1.056 25 F CB 1.388 40.399 39.000 0.019 0.000 1.155 25 F HN 0.643 nan 8.300 nan 0.000 0.461 26 D N 1.615 122.135 120.400 0.199 0.000 2.120 26 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 26 D C 0.283 176.642 176.300 0.099 0.000 0.972 26 D CA 1.054 55.121 54.000 0.112 0.000 0.837 26 D CB 0.151 40.997 40.800 0.077 0.000 0.989 26 D HN 0.423 nan 8.370 nan 0.000 0.469 27 E N 0.121 120.379 120.200 0.097 0.000 2.156 27 E HA 0.456 4.806 4.350 -0.000 0.000 0.279 27 E C 0.118 176.734 176.600 0.026 0.000 0.965 27 E CA -0.020 56.409 56.400 0.048 0.000 0.789 27 E CB 1.341 31.056 29.700 0.024 0.000 1.098 27 E HN 0.255 nan 8.360 nan 0.000 0.397 28 G N 2.048 110.856 108.800 0.013 0.000 2.877 28 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.279 28 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.279 28 G C -1.326 173.577 174.900 0.006 0.000 1.431 28 G CA -0.298 44.788 45.100 -0.023 0.000 0.883 28 G HN 0.653 nan 8.290 nan 0.000 0.547 29 L N 0.554 121.773 121.223 -0.007 0.000 2.705 29 L HA 0.577 4.917 4.340 -0.000 0.000 0.260 29 L C -2.386 174.553 176.870 0.114 0.000 0.921 29 L CA -0.950 53.964 54.840 0.123 0.000 0.948 29 L CB 2.394 44.600 42.059 0.245 0.000 1.427 29 L HN 0.581 nan 8.230 nan 0.000 0.432 30 P HA 0.391 nan 4.420 nan 0.000 0.276 30 P C -2.567 174.828 177.300 0.159 0.000 1.230 30 P CA -1.216 61.916 63.100 0.054 0.000 0.776 30 P CB 0.065 31.784 31.700 0.032 0.000 0.888 31 P HA 0.032 nan 4.420 nan 0.000 0.267 31 P C 0.064 177.441 177.300 0.129 0.000 1.201 31 P CA 0.195 63.389 63.100 0.156 0.000 0.775 31 P CB 0.286 32.025 31.700 0.065 0.000 0.854 32 I N 3.456 124.125 120.570 0.164 0.000 2.578 32 I HA -0.040 4.130 4.170 -0.000 0.000 0.286 32 I C 1.243 177.340 176.117 -0.034 0.000 1.126 32 I CA 1.011 62.331 61.300 0.032 0.000 1.380 32 I CB -0.568 37.470 38.000 0.063 0.000 1.408 32 I HN 0.430 nan 8.210 nan 0.000 0.532 33 L N 3.655 124.837 121.223 -0.068 0.000 1.580 33 L HA -0.134 4.206 4.340 -0.000 0.000 0.495 33 L C -0.225 176.625 176.870 -0.033 0.000 0.771 33 L CA -0.216 54.548 54.840 -0.126 0.000 2.313 33 L CB -0.817 41.120 42.059 -0.202 0.000 1.173 33 L HN 0.558 nan 8.230 nan 0.000 0.517 34 N N 2.156 120.853 118.700 -0.005 0.000 2.420 34 N HA 0.468 5.208 4.740 -0.000 0.000 0.262 34 N C 0.398 175.924 175.510 0.027 0.000 1.144 34 N CA 0.808 53.867 53.050 0.016 0.000 0.952 34 N CB 1.251 39.746 38.487 0.013 0.000 1.081 34 N HN 0.276 nan 8.380 nan 0.000 0.480 35 A N 3.858 126.698 122.820 0.034 0.000 2.545 35 A HA 0.148 4.468 4.320 -0.000 0.000 0.253 35 A C 0.457 178.059 177.584 0.030 0.000 1.074 35 A CA 0.021 52.077 52.037 0.032 0.000 0.760 35 A CB -0.279 18.733 19.000 0.021 0.000 1.005 35 A HN 0.655 nan 8.150 nan 0.000 0.506 36 L N 1.757 123.007 121.223 0.044 0.000 2.448 36 L HA 0.564 4.904 4.340 -0.000 0.000 0.258 36 L C 0.376 177.271 176.870 0.042 0.000 1.104 36 L CA -0.627 54.252 54.840 0.064 0.000 0.800 36 L CB 0.664 42.792 42.059 0.115 0.000 1.241 36 L HN 0.600 nan 8.230 nan 0.000 0.472 37 E N 0.954 121.182 120.200 0.048 0.000 2.283 37 E HA 0.277 4.627 4.350 -0.000 0.000 0.258 37 E C -1.267 175.354 176.600 0.035 0.000 0.893 37 E CA -0.438 55.979 56.400 0.029 0.000 0.798 37 E CB 2.525 32.235 29.700 0.016 0.000 1.242 37 E HN 0.182 nan 8.360 nan 0.000 0.414 38 V N 3.367 123.295 119.914 0.024 0.000 2.572 38 V HA 0.033 4.153 4.120 -0.000 0.000 0.291 38 V C 0.452 176.557 176.094 0.017 0.000 1.039 38 V CA -0.118 62.195 62.300 0.021 0.000 1.055 38 V CB 0.893 32.722 31.823 0.010 0.000 0.969 38 V HN 0.461 nan 8.190 nan 0.000 0.482 39 Q N 3.474 123.287 119.800 0.020 0.000 2.431 39 Q HA 0.539 4.879 4.340 -0.000 0.000 0.249 39 Q C 0.701 176.708 176.000 0.012 0.000 1.025 39 Q CA 0.349 56.162 55.803 0.017 0.000 0.835 39 Q CB 1.368 30.119 28.738 0.023 0.000 1.207 39 Q HN 1.109 nan 8.270 nan 0.000 0.490 40 G N 2.628 111.432 108.800 0.008 0.000 3.800 40 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.221 40 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.221 40 G C -0.106 174.795 174.900 0.003 0.000 0.893 40 G CA -0.602 44.501 45.100 0.005 0.000 0.986 40 G HN 0.407 nan 8.290 nan 0.000 0.719 41 R N 0.277 120.779 120.500 0.002 0.000 2.837 41 R HA 0.520 4.860 4.340 -0.000 0.000 0.271 41 R C -0.170 176.131 176.300 0.000 0.000 0.993 41 R CA -0.907 55.194 56.100 0.001 0.000 0.931 41 R CB 1.185 31.485 30.300 -0.000 0.000 1.206 41 R HN 0.149 nan 8.270 nan 0.000 0.474 42 E N 0.749 120.949 120.200 -0.000 0.000 2.461 42 E HA 0.008 4.358 4.350 -0.000 0.000 0.196 42 E C -0.466 176.133 176.600 -0.001 0.000 1.129 42 E CA 0.290 56.690 56.400 -0.000 0.000 0.902 42 E CB 0.025 29.725 29.700 -0.000 0.000 0.963 42 E HN 0.616 nan 8.360 nan 0.000 0.503 43 T N -1.245 113.308 114.554 -0.002 0.000 3.237 43 T HA 0.227 4.577 4.350 -0.000 0.000 0.319 43 T C -0.384 174.314 174.700 -0.004 0.000 1.037 43 T CA -0.959 61.139 62.100 -0.003 0.000 1.048 43 T CB 1.691 70.557 68.868 -0.003 0.000 1.081 43 T HN 0.012 nan 8.240 nan 0.000 0.455 44 R N 2.159 122.656 120.500 -0.006 0.000 2.561 44 R HA 0.094 4.434 4.340 -0.000 0.000 0.347 44 R C -0.575 175.722 176.300 -0.006 0.000 0.916 44 R CA -0.323 55.772 56.100 -0.007 0.000 1.063 44 R CB -0.169 30.123 30.300 -0.014 0.000 0.916 44 R HN 0.534 nan 8.270 nan 0.000 0.410 45 L N 7.049 128.271 121.223 -0.002 0.000 2.417 45 L HA 0.233 4.573 4.340 -0.000 0.000 0.258 45 L C -0.895 175.977 176.870 0.002 0.000 1.088 45 L CA -0.484 54.355 54.840 -0.001 0.000 0.975 45 L CB 1.145 43.204 42.059 -0.000 0.000 1.341 45 L HN 0.252 nan 8.230 nan 0.000 0.431 46 V N 4.905 124.820 119.914 0.001 0.000 2.585 46 V HA 0.113 4.233 4.120 -0.000 0.000 0.296 46 V C 0.820 176.921 176.094 0.011 0.000 1.035 46 V CA -0.087 62.216 62.300 0.005 0.000 1.084 46 V CB 0.387 32.211 31.823 0.001 0.000 0.953 46 V HN 0.515 nan 8.190 nan 0.000 0.483 47 L N 3.813 125.047 121.223 0.018 0.000 2.365 47 L HA 0.694 5.034 4.340 -0.000 0.000 0.267 47 L C 0.159 177.045 176.870 0.026 0.000 1.033 47 L CA -0.558 54.292 54.840 0.017 0.000 0.802 47 L CB 1.320 43.388 42.059 0.014 0.000 1.267 47 L HN 0.715 nan 8.230 nan 0.000 0.457 48 E N 0.608 120.822 120.200 0.023 0.000 2.283 48 E HA 0.287 4.637 4.350 -0.000 0.000 0.258 48 E C -1.474 175.128 176.600 0.004 0.000 0.893 48 E CA -0.575 55.844 56.400 0.031 0.000 0.798 48 E CB 2.208 31.946 29.700 0.063 0.000 1.242 48 E HN 0.294 nan 8.360 nan 0.000 0.414 49 V N 3.512 123.421 119.914 -0.007 0.000 2.694 49 V HA 0.123 4.243 4.120 -0.000 0.000 0.306 49 V C 0.862 176.918 176.094 -0.063 0.000 1.054 49 V CA 1.594 63.864 62.300 -0.049 0.000 1.161 49 V CB 1.104 32.887 31.823 -0.067 0.000 0.916 49 V HN 0.889 nan 8.190 nan 0.000 0.490 50 A N 4.548 127.323 122.820 -0.074 0.000 2.377 50 A HA 0.378 4.698 4.320 -0.000 0.000 0.209 50 A C 0.487 178.037 177.584 -0.058 0.000 1.359 50 A CA -0.060 51.942 52.037 -0.059 0.000 1.026 50 A CB 0.494 19.473 19.000 -0.035 0.000 1.224 50 A HN 0.737 nan 8.150 nan 0.000 0.528 51 Q N 0.005 119.748 119.800 -0.095 0.000 2.379 51 Q HA 0.355 4.695 4.340 -0.000 0.000 0.278 51 Q C -1.704 174.196 176.000 -0.167 0.000 1.068 51 Q CA -0.688 55.074 55.803 -0.070 0.000 0.816 51 Q CB 1.809 30.529 28.738 -0.029 0.000 1.387 51 Q HN 0.534 nan 8.270 nan 0.000 0.413 52 H N 3.264 122.340 119.070 0.009 0.000 2.641 52 H HA 0.214 4.770 4.556 -0.000 0.000 0.295 52 H C 0.626 175.958 175.328 0.006 0.000 1.070 52 H CA -0.040 56.017 56.048 0.015 0.000 1.257 52 H CB 0.905 30.679 29.762 0.020 0.000 1.393 52 H HN 0.527 nan 8.280 nan 0.000 0.464 53 L N 2.151 123.418 121.223 0.074 0.000 2.478 53 L HA 0.101 4.441 4.340 -0.000 0.000 0.223 53 L C 1.400 178.301 176.870 0.052 0.000 1.140 53 L CA 0.552 55.418 54.840 0.044 0.000 0.842 53 L CB -0.227 41.838 42.059 0.009 0.000 0.953 53 L HN 0.819 nan 8.230 nan 0.000 0.452 54 G N 0.493 109.342 108.800 0.081 0.000 2.587 54 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.212 54 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.212 54 G C 0.100 175.028 174.900 0.047 0.000 1.327 54 G CA -0.288 44.848 45.100 0.060 0.000 0.898 54 G HN 0.354 nan 8.290 nan 0.000 0.551 55 E N -0.720 119.500 120.200 0.033 0.000 2.282 55 E HA -0.186 4.164 4.350 -0.000 0.000 0.228 55 E C 0.811 177.430 176.600 0.033 0.000 1.314 55 E CA 0.917 57.332 56.400 0.025 0.000 0.716 55 E CB -1.455 28.252 29.700 0.013 0.000 1.167 55 E HN 1.846 nan 8.360 nan 0.000 0.372 56 S N -0.744 114.991 115.700 0.059 0.000 3.524 56 S HA -0.197 4.273 4.470 -0.000 0.000 0.377 56 S C -0.141 174.492 174.600 0.055 0.000 0.949 56 S CA 1.311 59.564 58.200 0.088 0.000 1.264 56 S CB -0.737 62.516 63.200 0.088 0.000 0.918 56 S HN 0.432 nan 8.310 nan 0.000 0.517 57 T N 0.705 115.282 114.554 0.039 0.000 2.909 57 T HA 0.683 5.033 4.350 -0.000 0.000 0.299 57 T C 0.079 174.763 174.700 -0.026 0.000 1.073 57 T CA -0.497 61.581 62.100 -0.036 0.000 0.999 57 T CB 1.973 70.811 68.868 -0.050 0.000 1.098 57 T HN 0.463 nan 8.240 nan 0.000 0.477 58 V N 0.412 120.264 119.914 -0.103 0.000 2.960 58 V HA 0.815 4.935 4.120 -0.000 0.000 0.315 58 V C -0.454 175.565 176.094 -0.124 0.000 1.087 58 V CA -1.409 60.808 62.300 -0.138 0.000 0.982 58 V CB 1.944 33.667 31.823 -0.168 0.000 1.039 58 V HN 0.888 nan 8.190 nan 0.000 0.437 59 R N 1.316 121.747 120.500 -0.115 0.000 2.494 59 R HA 0.785 5.125 4.340 -0.000 0.000 0.305 59 R C -0.657 175.599 176.300 -0.073 0.000 0.959 59 R CA 0.102 56.153 56.100 -0.081 0.000 0.864 59 R CB 1.890 32.156 30.300 -0.057 0.000 1.159 59 R HN 1.114 nan 8.270 nan 0.000 0.446 60 T N 1.713 116.233 114.554 -0.056 0.000 2.900 60 T HA 0.489 4.839 4.350 -0.000 0.000 0.295 60 T C 0.037 174.722 174.700 -0.025 0.000 1.044 60 T CA -0.829 61.249 62.100 -0.037 0.000 0.995 60 T CB 1.384 70.235 68.868 -0.030 0.000 1.072 60 T HN 0.448 nan 8.240 nan 0.000 0.473 61 I N 2.296 122.859 120.570 -0.012 0.000 2.312 61 I HA 0.534 4.704 4.170 -0.000 0.000 0.290 61 I C 1.102 177.220 176.117 0.002 0.000 1.008 61 I CA -0.900 60.397 61.300 -0.005 0.000 1.226 61 I CB 0.984 38.986 38.000 0.003 0.000 1.371 61 I HN 0.962 nan 8.210 nan 0.000 0.468 62 A N 7.474 130.292 122.820 -0.003 0.000 2.433 62 A HA 0.311 4.631 4.320 -0.000 0.000 0.250 62 A C 0.744 178.331 177.584 0.005 0.000 1.113 62 A CA 0.338 52.374 52.037 -0.001 0.000 0.794 62 A CB 0.258 19.256 19.000 -0.005 0.000 1.067 62 A HN 0.783 nan 8.150 nan 0.000 0.510 63 M N -0.022 119.581 119.600 0.004 0.000 2.414 63 M HA 0.295 4.775 4.480 -0.000 0.000 0.357 63 M C -0.387 175.914 176.300 0.002 0.000 1.059 63 M CA 0.274 55.577 55.300 0.005 0.000 0.959 63 M CB -0.346 32.257 32.600 0.005 0.000 1.522 63 M HN 0.809 nan 8.290 nan 0.000 0.551 64 D N -0.909 119.491 120.400 -0.000 0.000 2.738 64 D HA 0.309 4.949 4.640 -0.000 0.000 0.308 64 D C -0.560 175.739 176.300 -0.003 0.000 1.311 64 D CA -0.125 53.875 54.000 -0.001 0.000 0.799 64 D CB 1.698 42.497 40.800 -0.002 0.000 1.332 64 D HN 0.174 nan 8.370 nan 0.000 0.441 65 G N -0.641 108.157 108.800 -0.003 0.000 2.464 65 G HA2 0.264 4.224 3.960 -0.000 0.000 0.231 65 G HA3 0.264 4.224 3.960 -0.000 0.000 0.231 65 G C 0.761 175.658 174.900 -0.005 0.000 1.267 65 G CA 0.987 46.085 45.100 -0.004 0.000 0.863 65 G HN 0.368 nan 8.290 nan 0.000 0.559 66 T N -1.596 112.954 114.554 -0.006 0.000 3.145 66 T HA 0.186 4.536 4.350 -0.000 0.000 0.281 66 T C 0.617 175.313 174.700 -0.008 0.000 1.003 66 T CA 0.026 62.121 62.100 -0.008 0.000 0.901 66 T CB 0.042 68.904 68.868 -0.011 0.000 1.112 66 T HN 0.656 nan 8.240 nan 0.000 0.535 67 E N 1.435 121.631 120.200 -0.007 0.000 2.442 67 E HA 0.332 4.682 4.350 -0.000 0.000 0.262 67 E C 1.251 177.848 176.600 -0.006 0.000 1.004 67 E CA 0.864 57.260 56.400 -0.006 0.000 0.928 67 E CB 0.079 29.776 29.700 -0.005 0.000 0.937 67 E HN 0.522 nan 8.360 nan 0.000 0.446 68 G N 2.593 111.389 108.800 -0.006 0.000 2.527 68 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 68 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 68 G C 0.491 175.387 174.900 -0.007 0.000 1.177 68 G CA -0.013 45.084 45.100 -0.006 0.000 0.695 68 G HN 0.519 nan 8.290 nan 0.000 0.517 69 L N 1.131 122.349 121.223 -0.009 0.000 2.613 69 L HA 0.281 4.621 4.340 -0.000 0.000 0.304 69 L C 0.667 177.529 176.870 -0.013 0.000 1.266 69 L CA 0.543 55.376 54.840 -0.012 0.000 0.868 69 L CB 0.211 42.261 42.059 -0.015 0.000 1.111 69 L HN 0.228 nan 8.230 nan 0.000 0.515 70 V N 2.064 121.970 119.914 -0.014 0.000 2.962 70 V HA 0.362 4.482 4.120 -0.000 0.000 0.313 70 V C -0.127 175.955 176.094 -0.020 0.000 1.099 70 V CA -1.039 61.252 62.300 -0.015 0.000 0.971 70 V CB 2.113 33.929 31.823 -0.011 0.000 1.028 70 V HN 0.660 nan 8.190 nan 0.000 0.430 71 R N 2.299 122.786 120.500 -0.021 0.000 2.446 71 R HA 0.486 4.826 4.340 -0.000 0.000 0.325 71 R C 0.905 177.192 176.300 -0.022 0.000 0.997 71 R CA 0.877 56.962 56.100 -0.025 0.000 1.010 71 R CB -0.218 30.068 30.300 -0.023 0.000 0.946 71 R HN 1.174 nan 8.270 nan 0.000 0.422 72 G N 2.021 110.805 108.800 -0.026 0.000 2.145 72 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.203 72 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.203 72 G C -0.784 174.105 174.900 -0.019 0.000 1.096 72 G CA -0.338 44.750 45.100 -0.019 0.000 1.282 72 G HN 0.643 nan 8.290 nan 0.000 0.474 73 Q N 0.482 120.275 119.800 -0.011 0.000 3.186 73 Q HA -0.129 4.211 4.340 -0.000 0.000 0.035 73 Q C -0.202 175.797 176.000 -0.003 0.000 1.684 73 Q CA 1.170 56.969 55.803 -0.007 0.000 0.260 73 Q CB 0.124 28.856 28.738 -0.010 0.000 0.588 73 Q HN 0.565 nan 8.270 nan 0.000 0.324 74 K N 2.198 122.605 120.400 0.012 0.000 2.126 74 K HA 0.600 4.920 4.320 -0.000 0.000 0.257 74 K C -0.524 176.104 176.600 0.047 0.000 1.007 74 K CA -0.482 55.824 56.287 0.032 0.000 0.928 74 K CB 1.373 33.897 32.500 0.041 0.000 1.013 74 K HN 0.370 nan 8.250 nan 0.000 0.473 75 V N 2.468 122.440 119.914 0.097 0.000 2.760 75 V HA 0.396 4.516 4.120 -0.000 0.000 0.309 75 V C -0.506 175.710 176.094 0.204 0.000 1.077 75 V CA -1.012 61.369 62.300 0.134 0.000 0.910 75 V CB 1.815 33.716 31.823 0.131 0.000 1.008 75 V HN 0.507 nan 8.190 nan 0.000 0.424 76 L N 2.539 123.835 121.223 0.122 0.000 2.307 76 L HA 0.601 4.941 4.340 -0.000 0.000 0.284 76 L C -0.100 176.789 176.870 0.032 0.000 1.023 76 L CA -0.586 54.293 54.840 0.064 0.000 0.810 76 L CB 1.320 43.394 42.059 0.026 0.000 1.231 76 L HN 0.544 nan 8.230 nan 0.000 0.423 77 D N 1.228 121.583 120.400 -0.075 0.000 2.414 77 D HA -0.025 4.615 4.640 -0.000 0.000 0.242 77 D C 0.970 177.238 176.300 -0.052 0.000 1.129 77 D CA 0.170 54.108 54.000 -0.103 0.000 0.885 77 D CB 1.542 42.191 40.800 -0.252 0.000 1.198 77 D HN 0.591 nan 8.370 nan 0.000 0.437 78 S N 2.311 117.995 115.700 -0.028 0.000 2.548 78 S HA 0.185 4.655 4.470 -0.000 0.000 0.215 78 S C 1.634 176.221 174.600 -0.022 0.000 0.976 78 S CA 0.725 58.913 58.200 -0.020 0.000 0.908 78 S CB -0.262 62.930 63.200 -0.013 0.000 0.781 78 S HN 0.889 nan 8.310 nan 0.000 0.519 79 G N 0.482 109.263 108.800 -0.032 0.000 2.196 79 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.268 79 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.268 79 G C 0.243 175.139 174.900 -0.006 0.000 0.975 79 G CA 0.239 45.324 45.100 -0.025 0.000 0.648 79 G HN 1.543 nan 8.290 nan 0.000 0.538 80 A N -0.883 121.937 122.820 0.001 0.000 2.566 80 A HA 0.912 5.232 4.320 -0.000 0.000 0.292 80 A C -2.656 174.942 177.584 0.023 0.000 1.112 80 A CA -1.044 51.002 52.037 0.015 0.000 0.707 80 A CB 1.211 20.221 19.000 0.018 0.000 1.302 80 A HN 0.046 nan 8.150 nan 0.000 0.409 81 P HA 0.071 nan 4.420 nan 0.000 0.272 81 P C -0.381 176.953 177.300 0.057 0.000 1.239 81 P CA 0.206 63.356 63.100 0.084 0.000 0.807 81 P CB 0.216 31.993 31.700 0.128 0.000 0.951 82 I N 1.160 121.776 120.570 0.077 0.000 2.587 82 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 82 I C 1.286 177.392 176.117 -0.019 0.000 1.134 82 I CA 0.832 62.139 61.300 0.011 0.000 1.410 82 I CB -0.106 37.898 38.000 0.006 0.000 1.392 82 I HN 0.141 nan 8.210 nan 0.000 0.545 83 R N 7.184 127.641 120.500 -0.071 0.000 2.637 83 R HA 0.735 5.075 4.340 -0.000 0.000 0.291 83 R C -0.813 175.363 176.300 -0.206 0.000 0.963 83 R CA -0.686 55.353 56.100 -0.102 0.000 0.901 83 R CB 1.819 32.065 30.300 -0.090 0.000 1.160 83 R HN 0.622 nan 8.270 nan 0.000 0.457 84 I N -0.864 119.619 120.570 -0.144 0.000 3.042 84 I HA 0.665 4.835 4.170 -0.000 0.000 0.310 84 I C -2.638 173.485 176.117 0.011 0.000 1.117 84 I CA -3.367 57.851 61.300 -0.137 0.000 1.003 84 I CB 2.492 40.456 38.000 -0.060 0.000 1.228 84 I HN 0.355 nan 8.210 nan 0.000 0.443 85 P HA 0.080 nan 4.420 nan 0.000 0.264 85 P C -0.601 176.745 177.300 0.076 0.000 1.183 85 P CA 0.134 63.370 63.100 0.226 0.000 0.763 85 P CB 0.735 32.510 31.700 0.126 0.000 0.807 86 V N 1.503 121.399 119.914 -0.031 0.000 3.181 86 V HA 0.978 5.098 4.120 -0.000 0.000 0.308 86 V C -0.244 175.497 176.094 -0.588 0.000 1.214 86 V CA 0.203 62.346 62.300 -0.261 0.000 1.053 86 V CB 1.663 33.325 31.823 -0.269 0.000 1.069 86 V HN 0.930 nan 8.190 nan 0.000 0.441 87 G N 3.281 111.442 108.800 -1.065 0.000 2.373 87 G HA2 0.059 4.019 3.960 -0.000 0.000 0.634 87 G HA3 0.059 4.019 3.960 -0.000 0.000 0.634 87 G C -2.966 171.648 174.900 -0.476 0.000 1.267 87 G CA -0.007 44.441 45.100 -1.085 0.000 1.008 87 G HN 0.711 nan 8.290 nan 0.000 0.497 88 P HA 0.135 nan 4.420 nan 0.000 0.240 88 P C 1.230 178.561 177.300 0.051 0.000 1.190 88 P CA 1.175 64.263 63.100 -0.020 0.000 0.781 88 P CB 0.189 31.883 31.700 -0.010 0.000 0.931 89 E N -0.068 120.126 120.200 -0.009 0.000 2.438 89 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 89 E C 0.774 177.400 176.600 0.044 0.000 1.110 89 E CA 0.929 57.342 56.400 0.021 0.000 0.893 89 E CB -1.087 28.610 29.700 -0.005 0.000 0.990 89 E HN 0.311 nan 8.360 nan 0.000 0.490 90 T N -1.546 113.053 114.554 0.075 0.000 3.033 90 T HA 0.116 4.466 4.350 -0.000 0.000 0.248 90 T C 1.102 175.867 174.700 0.109 0.000 1.040 90 T CA -0.373 61.782 62.100 0.093 0.000 1.133 90 T CB -0.472 68.463 68.868 0.112 0.000 0.895 90 T HN 0.060 nan 8.240 nan 0.000 0.465 91 L N 2.818 124.124 121.223 0.139 0.000 2.700 91 L HA 0.336 4.676 4.340 -0.000 0.000 0.276 91 L C 1.680 178.623 176.870 0.121 0.000 1.200 91 L CA 1.303 56.216 54.840 0.122 0.000 0.951 91 L CB -0.454 41.706 42.059 0.169 0.000 1.226 91 L HN 0.672 nan 8.230 nan 0.000 0.489 92 G N 1.574 110.448 108.800 0.124 0.000 2.213 92 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.226 92 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.226 92 G C 0.282 175.284 174.900 0.171 0.000 0.992 92 G CA -0.633 44.555 45.100 0.146 0.000 0.632 92 G HN 0.428 nan 8.290 nan 0.000 0.511 93 R N 0.222 120.796 120.500 0.124 0.000 2.474 93 R HA 0.684 5.024 4.340 -0.000 0.000 0.295 93 R C 0.013 176.345 176.300 0.053 0.000 0.980 93 R CA -0.871 55.285 56.100 0.092 0.000 0.934 93 R CB 1.125 31.467 30.300 0.071 0.000 1.101 93 R HN 0.302 nan 8.270 nan 0.000 0.469 94 I N 4.347 124.904 120.570 -0.021 0.000 2.315 94 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 94 I C 0.632 176.745 176.117 -0.006 0.000 1.006 94 I CA -0.333 60.939 61.300 -0.047 0.000 1.265 94 I CB 0.919 38.776 38.000 -0.239 0.000 1.387 94 I HN 0.412 nan 8.210 nan 0.000 0.475 95 M N 6.533 126.155 119.600 0.035 0.000 2.535 95 M HA 0.481 4.961 4.480 -0.000 0.000 0.314 95 M C -0.892 175.430 176.300 0.038 0.000 1.153 95 M CA -0.638 54.677 55.300 0.025 0.000 0.924 95 M CB 2.058 34.671 32.600 0.022 0.000 1.710 95 M HN 0.605 nan 8.290 nan 0.000 0.451 96 N N 1.470 120.182 118.700 0.020 0.000 2.431 96 N HA 0.264 5.004 4.740 -0.000 0.000 0.289 96 N C 0.891 176.404 175.510 0.005 0.000 1.277 96 N CA -0.545 52.519 53.050 0.023 0.000 0.972 96 N CB 1.039 39.534 38.487 0.012 0.000 1.143 96 N HN 0.712 nan 8.380 nan 0.000 0.578 97 V N -0.656 119.259 119.914 0.001 0.000 2.490 97 V HA -0.118 4.002 4.120 -0.000 0.000 0.250 97 V C 1.680 177.756 176.094 -0.030 0.000 1.061 97 V CA 1.420 63.711 62.300 -0.015 0.000 1.064 97 V CB -1.053 30.765 31.823 -0.008 0.000 0.670 97 V HN 0.689 nan 8.190 nan 0.000 0.461 98 I N -2.288 118.264 120.570 -0.030 0.000 3.891 98 I HA 0.667 4.837 4.170 -0.000 0.000 0.331 98 I C 1.543 177.621 176.117 -0.065 0.000 1.406 98 I CA 0.434 61.705 61.300 -0.048 0.000 1.139 98 I CB -0.229 37.745 38.000 -0.043 0.000 1.056 98 I HN 0.403 nan 8.210 nan 0.000 0.399 99 G N 1.275 110.046 108.800 -0.048 0.000 2.336 99 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.233 99 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.233 99 G C 0.148 175.028 174.900 -0.033 0.000 1.053 99 G CA 0.024 45.095 45.100 -0.049 0.000 0.625 99 G HN 0.586 nan 8.290 nan 0.000 0.511 100 E N 2.107 122.285 120.200 -0.037 0.000 2.696 100 E HA 0.215 4.565 4.350 -0.000 0.000 0.270 100 E C -2.300 174.294 176.600 -0.009 0.000 0.958 100 E CA -0.123 56.264 56.400 -0.023 0.000 0.964 100 E CB 0.432 30.119 29.700 -0.021 0.000 0.948 100 E HN 0.328 nan 8.360 nan 0.000 0.472 101 P HA 0.203 nan 4.420 nan 0.000 0.287 101 P C -0.107 177.188 177.300 -0.010 0.000 1.270 101 P CA -0.275 62.825 63.100 0.000 0.000 0.844 101 P CB 0.645 32.352 31.700 0.011 0.000 1.068 102 I N -1.921 118.634 120.570 -0.025 0.000 4.026 102 I HA 0.279 4.449 4.170 -0.000 0.000 0.324 102 I C -0.072 176.000 176.117 -0.074 0.000 1.474 102 I CA -0.224 61.050 61.300 -0.043 0.000 1.107 102 I CB 0.248 38.218 38.000 -0.050 0.000 1.345 102 I HN 0.034 nan 8.210 nan 0.000 0.531 103 D N 0.805 121.168 120.400 -0.061 0.000 2.358 103 D HA 0.024 4.664 4.640 -0.000 0.000 0.224 103 D C 0.441 176.762 176.300 0.036 0.000 1.123 103 D CA -0.220 53.753 54.000 -0.046 0.000 0.833 103 D CB -0.134 40.645 40.800 -0.035 0.000 0.946 103 D HN 0.429 nan 8.370 nan 0.000 0.505 104 E N -0.077 120.134 120.200 0.017 0.000 2.604 104 E HA -0.274 4.076 4.350 -0.000 0.000 0.255 104 E C -0.305 176.319 176.600 0.040 0.000 1.164 104 E CA 0.347 56.764 56.400 0.028 0.000 0.737 104 E CB -0.994 28.725 29.700 0.031 0.000 1.317 104 E HN 0.425 nan 8.360 nan 0.000 0.417 105 R N 0.237 120.765 120.500 0.046 0.000 3.463 105 R HA 0.324 4.664 4.340 -0.000 0.000 0.303 105 R C 0.802 177.125 176.300 0.039 0.000 1.370 105 R CA 0.233 56.363 56.100 0.050 0.000 1.524 105 R CB 0.834 31.176 30.300 0.071 0.000 1.389 105 R HN 0.319 nan 8.270 nan 0.000 0.640 106 G N 2.428 111.245 108.800 0.030 0.000 2.598 106 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.269 106 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.269 106 G C -2.368 172.548 174.900 0.026 0.000 1.289 106 G CA -0.811 44.305 45.100 0.026 0.000 0.926 106 G HN 0.346 nan 8.290 nan 0.000 0.567 107 P HA 0.651 nan 4.420 nan 0.000 0.286 107 P C -0.275 177.048 177.300 0.038 0.000 1.292 107 P CA -0.851 62.267 63.100 0.031 0.000 0.842 107 P CB 0.812 32.532 31.700 0.033 0.000 1.207 108 I N 0.667 121.265 120.570 0.047 0.000 2.377 108 I HA 0.180 4.350 4.170 -0.000 0.000 0.282 108 I C 0.357 176.512 176.117 0.062 0.000 1.091 108 I CA -0.551 60.780 61.300 0.052 0.000 1.207 108 I CB -0.023 38.009 38.000 0.055 0.000 1.429 108 I HN 0.022 nan 8.210 nan 0.000 0.491 109 K N 4.049 124.475 120.400 0.043 0.000 2.402 109 K HA 0.239 4.559 4.320 -0.000 0.000 0.285 109 K C 0.109 176.710 176.600 0.002 0.000 1.054 109 K CA 0.164 56.469 56.287 0.030 0.000 1.001 109 K CB 0.756 33.266 32.500 0.016 0.000 0.946 109 K HN 0.390 nan 8.250 nan 0.000 0.473 110 T N 1.400 115.939 114.554 -0.025 0.000 2.923 110 T HA 0.173 4.523 4.350 -0.000 0.000 0.311 110 T C 0.715 175.278 174.700 -0.228 0.000 1.183 110 T CA -0.842 61.198 62.100 -0.101 0.000 1.020 110 T CB 1.243 70.065 68.868 -0.076 0.000 1.165 110 T HN 0.528 nan 8.240 nan 0.000 0.482 111 K N 1.701 121.965 120.400 -0.227 0.000 1.965 111 K HA -0.065 4.255 4.320 -0.000 0.000 0.218 111 K C 0.592 176.923 176.600 -0.450 0.000 1.048 111 K CA 1.666 57.797 56.287 -0.259 0.000 0.960 111 K CB -0.174 32.220 32.500 -0.177 0.000 0.732 111 K HN 0.594 nan 8.250 nan 0.000 0.444 112 Q N -1.064 118.477 119.800 -0.432 0.000 2.207 112 Q HA 0.506 4.846 4.340 -0.000 0.000 0.237 112 Q C -0.419 175.241 176.000 -0.567 0.000 0.998 112 Q CA -0.311 55.213 55.803 -0.464 0.000 0.951 112 Q CB 0.838 29.450 28.738 -0.209 0.000 1.213 112 Q HN 0.088 nan 8.270 nan 0.000 0.499 113 F N -1.068 118.844 119.950 -0.062 0.000 2.620 113 F HA 0.864 5.391 4.527 -0.000 0.000 0.320 113 F C -0.518 175.260 175.800 -0.037 0.000 1.069 113 F CA -1.423 56.544 58.000 -0.056 0.000 0.953 113 F CB 2.044 41.023 39.000 -0.034 0.000 1.322 113 F HN 0.582 nan 8.300 nan 0.000 0.479 114 A N 0.707 123.642 122.820 0.192 0.000 2.527 114 A HA 0.898 5.218 4.320 -0.000 0.000 0.293 114 A C -1.438 176.186 177.584 0.065 0.000 1.117 114 A CA -0.654 51.446 52.037 0.105 0.000 0.723 114 A CB 1.298 20.346 19.000 0.079 0.000 1.313 114 A HN 0.933 nan 8.150 nan 0.000 0.411 115 A N 0.081 122.934 122.820 0.055 0.000 2.279 115 A HA 0.604 4.924 4.320 -0.000 0.000 0.303 115 A C 1.036 178.618 177.584 -0.004 0.000 1.108 115 A CA -0.112 51.947 52.037 0.036 0.000 0.830 115 A CB -0.039 19.007 19.000 0.077 0.000 1.106 115 A HN 1.313 nan 8.150 nan 0.000 0.493 116 I N -1.025 119.498 120.570 -0.078 0.000 2.439 116 I HA -0.009 4.161 4.170 -0.000 0.000 0.251 116 I C 0.551 176.514 176.117 -0.256 0.000 1.139 116 I CA 0.443 61.624 61.300 -0.198 0.000 1.438 116 I CB -0.744 37.074 38.000 -0.305 0.000 1.085 116 I HN 0.491 nan 8.210 nan 0.000 0.427 117 H N 2.477 121.551 119.070 0.007 0.000 2.505 117 H HA 0.761 5.317 4.556 -0.000 0.000 0.355 117 H C -0.307 175.029 175.328 0.013 0.000 1.179 117 H CA -0.089 55.965 56.048 0.010 0.000 1.343 117 H CB 1.447 31.220 29.762 0.017 0.000 1.501 117 H HN 0.383 nan 8.280 nan 0.000 0.569 118 A N 1.777 124.679 122.820 0.137 0.000 2.596 118 A HA 0.163 4.483 4.320 -0.000 0.000 0.305 118 A C -0.479 177.143 177.584 0.063 0.000 1.032 118 A CA -0.938 51.147 52.037 0.081 0.000 0.776 118 A CB 1.051 20.083 19.000 0.053 0.000 1.253 118 A HN 0.654 nan 8.150 nan 0.000 0.402 119 E N 0.498 120.729 120.200 0.052 0.000 2.428 119 E HA 0.410 4.760 4.350 -0.000 0.000 0.257 119 E C 0.470 177.093 176.600 0.037 0.000 1.197 119 E CA 0.459 56.885 56.400 0.044 0.000 0.974 119 E CB 0.860 30.583 29.700 0.039 0.000 0.976 119 E HN 1.003 nan 8.360 nan 0.000 0.463 120 A N 1.860 124.702 122.820 0.037 0.000 2.324 120 A HA 0.451 4.771 4.320 -0.000 0.000 0.330 120 A C -2.267 175.336 177.584 0.031 0.000 1.165 120 A CA -1.701 50.355 52.037 0.031 0.000 0.813 120 A CB 0.342 19.363 19.000 0.036 0.000 1.197 120 A HN 0.289 nan 8.150 nan 0.000 0.484 121 P HA -0.082 nan 4.420 nan 0.000 0.241 121 P C -0.019 177.297 177.300 0.027 0.000 1.093 121 P CA 0.807 63.915 63.100 0.013 0.000 0.843 121 P CB 0.061 31.759 31.700 -0.003 0.000 0.760 122 E N 1.971 122.194 120.200 0.039 0.000 2.461 122 E HA -0.134 4.216 4.350 -0.000 0.000 0.263 122 E C 0.949 177.605 176.600 0.094 0.000 1.143 122 E CA 0.091 56.536 56.400 0.075 0.000 0.994 122 E CB 0.209 29.950 29.700 0.069 0.000 0.973 122 E HN 0.381 nan 8.360 nan 0.000 0.457 123 F N 1.751 121.702 119.950 0.002 0.000 2.216 123 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 123 F C 1.886 177.686 175.800 0.000 0.000 1.085 123 F CA 1.462 59.462 58.000 0.001 0.000 1.326 123 F CB 0.007 39.007 39.000 0.000 0.000 1.027 123 F HN 0.265 nan 8.300 nan 0.000 0.497 124 V N -1.644 118.337 119.914 0.112 0.000 2.626 124 V HA -0.210 3.910 4.120 -0.000 0.000 0.252 124 V C 1.660 177.713 176.094 -0.069 0.000 1.067 124 V CA 1.987 64.307 62.300 0.033 0.000 1.081 124 V CB -1.124 30.744 31.823 0.075 0.000 0.686 124 V HN 0.413 nan 8.190 nan 0.000 0.468 125 E N -0.081 120.078 120.200 -0.068 0.000 2.435 125 E HA 0.099 4.449 4.350 -0.000 0.000 0.195 125 E C 0.739 177.271 176.600 -0.114 0.000 1.029 125 E CA -0.049 56.309 56.400 -0.069 0.000 0.865 125 E CB -0.094 29.584 29.700 -0.037 0.000 0.833 125 E HN 0.446 nan 8.360 nan 0.000 0.510 126 M N 1.126 120.604 119.600 -0.202 0.000 2.240 126 M HA 0.060 4.540 4.480 -0.000 0.000 0.317 126 M C 0.440 176.633 176.300 -0.179 0.000 1.087 126 M CA 0.362 55.529 55.300 -0.221 0.000 1.176 126 M CB 0.744 33.120 32.600 -0.373 0.000 1.439 126 M HN -0.123 nan 8.290 nan 0.000 0.452 127 S N 0.961 116.583 115.700 -0.130 0.000 2.557 127 S HA 0.531 5.001 4.470 -0.000 0.000 0.291 127 S C -0.047 174.507 174.600 -0.077 0.000 1.116 127 S CA -0.830 57.315 58.200 -0.092 0.000 0.992 127 S CB 1.416 64.579 63.200 -0.061 0.000 1.028 127 S HN 0.647 nan 8.310 nan 0.000 0.484 128 V N 1.468 121.344 119.914 -0.064 0.000 3.252 128 V HA 0.472 4.592 4.120 -0.000 0.000 0.350 128 V C 0.083 176.163 176.094 -0.024 0.000 1.329 128 V CA -0.276 61.998 62.300 -0.044 0.000 1.258 128 V CB -0.658 31.142 31.823 -0.038 0.000 1.208 128 V HN 0.806 nan 8.190 nan 0.000 0.462 129 E N 1.966 122.152 120.200 -0.023 0.000 2.081 129 E HA 0.198 4.548 4.350 -0.000 0.000 0.270 129 E C -0.459 176.140 176.600 -0.002 0.000 1.180 129 E CA 0.446 56.839 56.400 -0.011 0.000 0.926 129 E CB 0.767 30.460 29.700 -0.010 0.000 1.035 129 E HN 0.707 nan 8.360 nan 0.000 0.418 130 Q N 2.507 122.309 119.800 0.004 0.000 2.431 130 Q HA 0.215 4.555 4.340 -0.000 0.000 0.249 130 Q C -0.477 175.536 176.000 0.021 0.000 1.025 130 Q CA -0.170 55.641 55.803 0.013 0.000 0.835 130 Q CB 1.362 30.108 28.738 0.013 0.000 1.207 130 Q HN 0.396 nan 8.270 nan 0.000 0.490 131 E N 3.310 123.527 120.200 0.028 0.000 2.210 131 E HA 0.313 4.663 4.350 -0.000 0.000 0.266 131 E C -0.972 175.659 176.600 0.052 0.000 0.883 131 E CA -0.865 55.557 56.400 0.037 0.000 0.761 131 E CB 1.575 31.294 29.700 0.033 0.000 1.156 131 E HN 0.621 nan 8.360 nan 0.000 0.412 132 I N 4.472 125.079 120.570 0.062 0.000 2.710 132 I HA 0.013 4.183 4.170 -0.000 0.000 0.286 132 I C -0.963 175.205 176.117 0.084 0.000 1.181 132 I CA -0.242 61.106 61.300 0.080 0.000 1.430 132 I CB 0.419 38.476 38.000 0.095 0.000 1.367 132 I HN 0.439 nan 8.210 nan 0.000 0.577 133 L N 9.209 130.495 121.223 0.104 0.000 2.301 133 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 133 L C -0.841 176.096 176.870 0.113 0.000 1.022 133 L CA -0.426 54.481 54.840 0.111 0.000 0.854 133 L CB 0.967 43.102 42.059 0.127 0.000 1.226 133 L HN 0.416 nan 8.230 nan 0.000 0.429 134 V N 4.742 124.706 119.914 0.084 0.000 2.572 134 V HA 0.179 4.299 4.120 -0.000 0.000 0.291 134 V C 1.546 177.677 176.094 0.062 0.000 1.039 134 V CA 0.825 63.161 62.300 0.061 0.000 1.055 134 V CB 1.119 32.970 31.823 0.047 0.000 0.969 134 V HN 0.954 nan 8.190 nan 0.000 0.482 135 T N 0.146 114.721 114.554 0.034 0.000 3.015 135 T HA 0.237 4.587 4.350 -0.000 0.000 0.250 135 T C 1.408 176.111 174.700 0.006 0.000 1.057 135 T CA 0.637 62.759 62.100 0.036 0.000 1.066 135 T CB 0.389 69.266 68.868 0.016 0.000 0.959 135 T HN 1.496 nan 8.240 nan 0.000 0.488 136 G N 2.020 110.824 108.800 0.006 0.000 2.148 136 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 136 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 136 G C 0.000 174.912 174.900 0.020 0.000 0.981 136 G CA 0.220 45.326 45.100 0.010 0.000 0.670 136 G HN 0.707 nan 8.290 nan 0.000 0.528 137 I N 0.133 120.714 120.570 0.019 0.000 2.312 137 I HA 0.270 4.440 4.170 -0.000 0.000 0.290 137 I C 1.543 177.691 176.117 0.052 0.000 1.008 137 I CA -0.847 60.506 61.300 0.088 0.000 1.226 137 I CB 1.309 39.384 38.000 0.124 0.000 1.371 137 I HN -0.051 nan 8.210 nan 0.000 0.468 138 K N 3.564 123.997 120.400 0.055 0.000 2.020 138 K HA -0.184 4.136 4.320 -0.000 0.000 0.212 138 K C 1.901 178.505 176.600 0.007 0.000 1.050 138 K CA 1.946 58.249 56.287 0.026 0.000 0.929 138 K CB -0.163 32.314 32.500 -0.038 0.000 0.714 138 K HN 0.703 nan 8.250 nan 0.000 0.443 139 V N -0.357 119.555 119.914 -0.002 0.000 2.287 139 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 139 V C 2.266 178.323 176.094 -0.063 0.000 1.053 139 V CA 1.828 64.101 62.300 -0.044 0.000 1.027 139 V CB -1.127 30.691 31.823 -0.009 0.000 0.646 139 V HN 0.036 nan 8.190 nan 0.000 0.447 140 V N 0.790 120.660 119.914 -0.073 0.000 2.270 140 V HA -0.208 3.912 4.120 -0.000 0.000 0.245 140 V C 2.502 178.494 176.094 -0.170 0.000 1.043 140 V CA 2.351 64.532 62.300 -0.199 0.000 1.014 140 V CB -0.981 30.605 31.823 -0.396 0.000 0.645 140 V HN 0.461 nan 8.190 nan 0.000 0.447 141 D N 0.256 120.599 120.400 -0.095 0.000 2.077 141 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 141 D C 2.013 178.388 176.300 0.125 0.000 0.989 141 D CA 1.415 55.415 54.000 -0.001 0.000 0.831 141 D CB -0.551 40.253 40.800 0.006 0.000 0.979 141 D HN 0.322 nan 8.370 nan 0.000 0.449 142 L N 0.156 121.424 121.223 0.075 0.000 2.079 142 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 142 L C 1.948 178.860 176.870 0.070 0.000 1.081 142 L CA 1.619 56.531 54.840 0.120 0.000 0.752 142 L CB -0.168 41.824 42.059 -0.112 0.000 0.896 142 L HN 0.057 nan 8.230 nan 0.000 0.433 143 L N -1.773 119.421 121.223 -0.049 0.000 2.537 143 L HA 0.371 4.711 4.340 -0.000 0.000 0.224 143 L C 0.660 177.483 176.870 -0.078 0.000 1.065 143 L CA 0.470 55.253 54.840 -0.096 0.000 0.860 143 L CB -0.018 41.971 42.059 -0.117 0.000 1.086 143 L HN 0.222 nan 8.230 nan 0.000 0.482 144 A N 0.650 123.433 122.820 -0.061 0.000 3.277 144 A HA 0.521 4.841 4.320 -0.000 0.000 0.281 144 A C -2.730 174.825 177.584 -0.049 0.000 1.179 144 A CA -0.731 51.287 52.037 -0.031 0.000 0.879 144 A CB -0.031 18.978 19.000 0.015 0.000 1.374 144 A HN -0.145 nan 8.150 nan 0.000 0.590 145 P HA 0.232 nan 4.420 nan 0.000 0.271 145 P C -0.425 176.912 177.300 0.062 0.000 1.218 145 P CA 0.210 63.282 63.100 -0.046 0.000 0.780 145 P CB 0.237 31.960 31.700 0.037 0.000 0.901 146 Y N 0.284 120.612 120.300 0.047 0.000 2.379 146 Y HA 0.375 4.925 4.550 0.000 0.000 0.337 146 Y C 1.048 176.963 175.900 0.025 0.000 1.238 146 Y CA -1.078 57.040 58.100 0.030 0.000 1.405 146 Y CB 0.655 39.128 38.460 0.022 0.000 1.310 146 Y HN 0.326 nan 8.280 nan 0.000 0.569 147 A N 3.578 126.506 122.820 0.180 0.000 2.331 147 A HA 0.366 4.686 4.320 -0.000 0.000 0.320 147 A C -0.788 176.828 177.584 0.054 0.000 1.138 147 A CA -1.106 50.988 52.037 0.096 0.000 0.790 147 A CB 0.590 19.630 19.000 0.067 0.000 1.206 147 A HN 0.742 nan 8.150 nan 0.000 0.470 148 K N 1.194 121.626 120.400 0.052 0.000 2.504 148 K HA 0.196 4.516 4.320 -0.000 0.000 0.278 148 K C 1.178 177.782 176.600 0.007 0.000 1.025 148 K CA 1.302 57.608 56.287 0.032 0.000 1.093 148 K CB 0.090 32.616 32.500 0.043 0.000 0.873 148 K HN 1.610 nan 8.250 nan 0.000 0.483 149 G N 2.230 111.020 108.800 -0.017 0.000 2.168 149 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.257 149 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.257 149 G C 0.459 175.332 174.900 -0.045 0.000 0.997 149 G CA 0.136 45.217 45.100 -0.032 0.000 0.708 149 G HN 0.869 nan 8.290 nan 0.000 0.520 150 G N -0.779 107.991 108.800 -0.050 0.000 2.477 150 G HA2 0.576 4.536 3.960 -0.000 0.000 0.304 150 G HA3 0.576 4.536 3.960 -0.000 0.000 0.304 150 G C -0.071 174.772 174.900 -0.095 0.000 1.175 150 G CA -0.692 44.378 45.100 -0.050 0.000 0.907 150 G HN 0.362 nan 8.290 nan 0.000 0.509 151 K N 0.042 120.397 120.400 -0.076 0.000 2.234 151 K HA 0.428 4.748 4.320 -0.000 0.000 0.282 151 K C -0.491 176.035 176.600 -0.123 0.000 1.039 151 K CA 0.013 56.237 56.287 -0.105 0.000 0.928 151 K CB 1.390 33.857 32.500 -0.055 0.000 1.039 151 K HN 0.273 nan 8.250 nan 0.000 0.470 152 I N 1.213 121.653 120.570 -0.217 0.000 2.569 152 I HA 0.384 4.554 4.170 -0.000 0.000 0.296 152 I C 0.151 176.117 176.117 -0.252 0.000 1.028 152 I CA -0.839 60.294 61.300 -0.278 0.000 1.082 152 I CB 2.284 39.931 38.000 -0.588 0.000 1.264 152 I HN 0.634 nan 8.210 nan 0.000 0.429 153 G N 6.345 115.028 108.800 -0.194 0.000 2.590 153 G HA2 0.678 4.637 3.960 -0.000 0.000 0.310 153 G HA3 0.678 4.637 3.960 -0.000 0.000 0.310 153 G C -1.109 173.630 174.900 -0.268 0.000 1.347 153 G CA -0.442 44.465 45.100 -0.322 0.000 0.963 153 G HN 0.415 nan 8.290 nan 0.000 0.494 154 L N 2.554 123.583 121.223 -0.324 0.000 2.301 154 L HA 0.421 4.761 4.340 -0.000 0.000 0.278 154 L C -0.811 175.917 176.870 -0.237 0.000 1.022 154 L CA -0.560 54.198 54.840 -0.137 0.000 0.854 154 L CB 0.902 42.944 42.059 -0.029 0.000 1.226 154 L HN 0.380 nan 8.230 nan 0.000 0.429 155 F N 1.474 121.419 119.950 -0.009 0.000 2.404 155 F HA 0.689 5.216 4.527 -0.000 0.000 0.345 155 F C 0.957 176.751 175.800 -0.012 0.000 1.110 155 F CA -0.295 57.681 58.000 -0.039 0.000 1.130 155 F CB 1.941 40.907 39.000 -0.056 0.000 1.129 155 F HN 0.402 nan 8.300 nan 0.000 0.500 156 G N 1.195 110.070 108.800 0.125 0.000 2.732 156 G HA2 0.504 4.464 3.960 -0.000 0.000 0.296 156 G HA3 0.504 4.464 3.960 -0.000 0.000 0.296 156 G C -0.887 173.954 174.900 -0.099 0.000 1.448 156 G CA -0.588 44.538 45.100 0.044 0.000 0.911 156 G HN 0.913 nan 8.290 nan 0.000 0.528 157 G N -0.496 108.228 108.800 -0.126 0.000 2.588 157 G HA2 0.669 4.629 3.960 -0.000 0.000 0.281 157 G HA3 0.669 4.629 3.960 -0.000 0.000 0.281 157 G C 0.705 175.540 174.900 -0.109 0.000 1.236 157 G CA 0.284 45.228 45.100 -0.261 0.000 0.969 157 G HN 1.637 nan 8.290 nan 0.000 0.504 158 A N -0.944 121.856 122.820 -0.034 0.000 2.526 158 A HA 0.490 4.810 4.320 -0.000 0.000 0.267 158 A C 1.535 179.173 177.584 0.089 0.000 1.095 158 A CA 1.202 53.346 52.037 0.179 0.000 0.775 158 A CB -0.905 18.232 19.000 0.229 0.000 1.036 158 A HN 2.562 nan 8.150 nan 0.000 0.510 159 G N 1.176 110.032 108.800 0.093 0.000 2.131 159 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.223 159 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.223 159 G C 0.498 175.441 174.900 0.072 0.000 0.990 159 G CA 0.255 45.393 45.100 0.063 0.000 0.671 159 G HN 1.386 nan 8.290 nan 0.000 0.521 160 V N -0.459 119.502 119.914 0.078 0.000 3.406 160 V HA 0.520 4.640 4.120 -0.000 0.000 0.263 160 V C 2.031 178.218 176.094 0.154 0.000 1.172 160 V CA 1.240 63.596 62.300 0.094 0.000 1.140 160 V CB -0.094 31.758 31.823 0.050 0.000 0.784 160 V HN 2.030 nan 8.190 nan 0.000 0.467 161 G N 0.715 109.594 108.800 0.131 0.000 2.237 161 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.153 161 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.153 161 G C 0.534 175.527 174.900 0.155 0.000 1.039 161 G CA 0.259 45.445 45.100 0.144 0.000 0.719 161 G HN 0.395 nan 8.290 nan 0.000 0.491 162 K N -0.293 120.186 120.400 0.132 0.000 1.973 162 K HA -0.063 4.257 4.320 -0.000 0.000 0.212 162 K C 2.646 179.329 176.600 0.138 0.000 1.047 162 K CA 2.015 58.379 56.287 0.129 0.000 0.937 162 K CB -0.435 32.127 32.500 0.103 0.000 0.721 162 K HN 0.301 nan 8.250 nan 0.000 0.440 163 T N 1.527 116.157 114.554 0.127 0.000 2.665 163 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 163 T C 2.092 176.874 174.700 0.136 0.000 1.035 163 T CA 1.453 63.633 62.100 0.133 0.000 1.151 163 T CB -0.477 68.465 68.868 0.122 0.000 0.862 163 T HN -0.050 nan 8.240 nan 0.000 0.438 164 V N 1.334 121.333 119.914 0.142 0.000 2.287 164 V HA -0.149 3.971 4.120 -0.000 0.000 0.248 164 V C 2.414 178.643 176.094 0.224 0.000 1.053 164 V CA 1.696 64.103 62.300 0.179 0.000 1.027 164 V CB -0.646 31.291 31.823 0.190 0.000 0.646 164 V HN 0.353 nan 8.190 nan 0.000 0.447 165 L N -0.461 120.922 121.223 0.267 0.000 2.083 165 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 165 L C 2.095 179.061 176.870 0.159 0.000 1.083 165 L CA 1.772 56.787 54.840 0.293 0.000 0.752 165 L CB -0.514 41.742 42.059 0.329 0.000 0.899 165 L HN 0.273 nan 8.230 nan 0.000 0.433 166 I N -1.283 119.377 120.570 0.150 0.000 2.315 166 I HA -0.284 3.886 4.170 -0.000 0.000 0.248 166 I C 2.086 178.233 176.117 0.050 0.000 1.117 166 I CA 0.922 62.307 61.300 0.142 0.000 1.404 166 I CB 0.066 38.172 38.000 0.177 0.000 1.071 166 I HN 0.315 nan 8.210 nan 0.000 0.419 167 M N -0.072 119.549 119.600 0.035 0.000 2.099 167 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 167 M C 2.155 178.406 176.300 -0.081 0.000 1.067 167 M CA 1.622 56.899 55.300 -0.039 0.000 1.124 167 M CB -1.529 31.074 32.600 0.004 0.000 1.353 167 M HN 0.138 nan 8.290 nan 0.000 0.410 168 E N 0.768 120.915 120.200 -0.089 0.000 2.171 168 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 168 E C 2.028 178.515 176.600 -0.189 0.000 0.997 168 E CA 1.221 57.479 56.400 -0.236 0.000 0.810 168 E CB -0.275 29.035 29.700 -0.650 0.000 0.738 168 E HN 0.491 nan 8.360 nan 0.000 0.467 169 L N -0.323 120.848 121.223 -0.087 0.000 2.044 169 L HA -0.063 4.277 4.340 -0.000 0.000 0.205 169 L C 2.467 179.345 176.870 0.013 0.000 1.075 169 L CA 0.838 55.695 54.840 0.028 0.000 0.747 169 L CB -0.324 41.844 42.059 0.183 0.000 0.903 169 L HN 0.195 nan 8.230 nan 0.000 0.435 170 I N 0.308 120.793 120.570 -0.143 0.000 2.315 170 I HA -0.352 3.818 4.170 -0.000 0.000 0.251 170 I C 2.162 178.188 176.117 -0.151 0.000 1.125 170 I CA 1.507 62.608 61.300 -0.330 0.000 1.392 170 I CB -0.145 37.526 38.000 -0.549 0.000 1.065 170 I HN 0.370 nan 8.210 nan 0.000 0.424 171 N N 0.505 119.138 118.700 -0.113 0.000 2.258 171 N HA -0.094 4.646 4.740 -0.000 0.000 0.183 171 N C 1.364 176.847 175.510 -0.046 0.000 1.029 171 N CA 0.930 53.933 53.050 -0.078 0.000 0.857 171 N CB 0.072 38.510 38.487 -0.082 0.000 1.008 171 N HN 0.093 nan 8.380 nan 0.000 0.433 172 N N -0.461 118.207 118.700 -0.053 0.000 2.571 172 N HA -0.018 4.722 4.740 -0.000 0.000 0.189 172 N C 0.562 176.081 175.510 0.016 0.000 1.154 172 N CA 0.311 53.346 53.050 -0.026 0.000 0.907 172 N CB 0.467 38.923 38.487 -0.053 0.000 0.977 172 N HN 0.163 nan 8.380 nan 0.000 0.449 173 V N -0.865 119.066 119.914 0.028 0.000 3.278 173 V HA 0.255 4.375 4.120 -0.000 0.000 0.215 173 V C 1.468 177.592 176.094 0.050 0.000 1.287 173 V CA 0.657 62.991 62.300 0.057 0.000 1.302 173 V CB -0.387 31.493 31.823 0.096 0.000 1.228 173 V HN 0.115 nan 8.190 nan 0.000 0.523 174 A N -0.542 122.299 122.820 0.035 0.000 2.259 174 A HA 0.090 4.410 4.320 -0.000 0.000 0.208 174 A C 1.736 179.358 177.584 0.063 0.000 1.201 174 A CA 0.784 52.843 52.037 0.036 0.000 0.824 174 A CB -0.221 18.809 19.000 0.050 0.000 0.838 174 A HN 0.343 nan 8.150 nan 0.000 0.485 175 K N 0.226 120.653 120.400 0.046 0.000 2.099 175 K HA 0.271 4.591 4.320 -0.000 0.000 0.203 175 K C 1.027 177.660 176.600 0.055 0.000 1.047 175 K CA 1.261 57.569 56.287 0.034 0.000 0.963 175 K CB -0.163 32.340 32.500 0.006 0.000 0.759 175 K HN 0.247 nan 8.250 nan 0.000 0.451 176 A N 1.399 124.260 122.820 0.068 0.000 3.095 176 A HA 0.174 4.494 4.320 -0.000 0.000 0.301 176 A C -1.015 176.643 177.584 0.124 0.000 1.432 176 A CA -0.208 51.870 52.037 0.067 0.000 1.140 176 A CB -0.624 18.403 19.000 0.045 0.000 1.174 176 A HN 0.345 nan 8.150 nan 0.000 0.546 177 H N 1.117 120.188 119.070 0.002 0.000 3.177 177 H HA 0.323 4.878 4.556 -0.000 0.000 0.314 177 H C 0.028 175.339 175.328 -0.028 0.000 1.059 177 H CA -0.098 55.950 56.048 0.000 0.000 1.515 177 H CB 1.082 30.858 29.762 0.024 0.000 1.672 177 H HN 0.504 nan 8.280 nan 0.000 0.514 178 G N 2.763 111.362 108.800 -0.336 0.000 2.469 178 G HA2 0.436 4.396 3.960 -0.000 0.000 0.293 178 G HA3 0.436 4.396 3.960 -0.000 0.000 0.293 178 G C 0.222 174.831 174.900 -0.485 0.000 0.982 178 G CA 0.568 45.480 45.100 -0.315 0.000 1.401 178 G HN 0.802 nan 8.290 nan 0.000 0.453 179 G N 1.363 109.945 108.800 -0.363 0.000 2.352 179 G HA2 0.273 4.233 3.960 -0.000 0.000 0.305 179 G HA3 0.273 4.233 3.960 -0.000 0.000 0.305 179 G C -0.947 173.893 174.900 -0.099 0.000 1.537 179 G CA -1.175 43.741 45.100 -0.306 0.000 0.959 179 G HN 0.421 nan 8.290 nan 0.000 0.668 180 Y N 0.540 120.915 120.300 0.124 0.000 2.346 180 Y HA 0.520 5.070 4.550 -0.000 0.000 0.330 180 Y C 1.107 177.008 175.900 0.003 0.000 1.178 180 Y CA 0.262 58.365 58.100 0.005 0.000 1.331 180 Y CB 1.491 39.849 38.460 -0.169 0.000 1.253 180 Y HN 0.418 nan 8.280 nan 0.000 0.529 181 S N 1.991 117.767 115.700 0.128 0.000 2.521 181 S HA 0.624 5.094 4.470 -0.000 0.000 0.295 181 S C -1.012 173.621 174.600 0.055 0.000 1.098 181 S CA -0.870 57.399 58.200 0.115 0.000 0.999 181 S CB 1.629 64.946 63.200 0.195 0.000 1.034 181 S HN 0.338 nan 8.310 nan 0.000 0.483 182 V N 3.288 123.236 119.914 0.056 0.000 2.495 182 V HA 0.522 4.642 4.120 -0.000 0.000 0.298 182 V C -1.086 175.100 176.094 0.153 0.000 1.031 182 V CA -0.671 61.655 62.300 0.044 0.000 0.871 182 V CB 1.295 33.095 31.823 -0.038 0.000 0.988 182 V HN 0.874 nan 8.190 nan 0.000 0.432 183 F N 4.083 124.034 119.950 0.001 0.000 2.403 183 F HA 0.741 5.268 4.527 -0.000 0.000 0.355 183 F C 0.362 176.054 175.800 -0.179 0.000 1.119 183 F CA -0.555 57.428 58.000 -0.029 0.000 1.007 183 F CB 1.007 39.985 39.000 -0.037 0.000 1.194 183 F HN 0.554 nan 8.300 nan 0.000 0.443 184 A N 4.687 127.243 122.820 -0.440 0.000 2.294 184 A HA 0.574 4.894 4.320 -0.000 0.000 0.316 184 A C 0.320 177.546 177.584 -0.597 0.000 1.359 184 A CA -0.273 51.512 52.037 -0.420 0.000 0.956 184 A CB -0.062 18.754 19.000 -0.307 0.000 1.155 184 A HN 0.969 nan 8.150 nan 0.000 0.544 185 G N 1.944 110.379 108.800 -0.608 0.000 2.444 185 G HA2 0.472 4.432 3.960 -0.000 0.000 0.303 185 G HA3 0.472 4.432 3.960 -0.000 0.000 0.303 185 G C -0.349 174.452 174.900 -0.165 0.000 1.032 185 G CA -0.108 44.760 45.100 -0.387 0.000 1.137 185 G HN 0.657 nan 8.290 nan 0.000 0.430 186 V N 2.700 122.549 119.914 -0.108 0.000 2.350 186 V HA 0.535 4.655 4.120 -0.000 0.000 0.276 186 V C 1.302 177.414 176.094 0.029 0.000 1.028 186 V CA 0.168 62.448 62.300 -0.033 0.000 0.860 186 V CB 0.937 32.730 31.823 -0.048 0.000 0.990 186 V HN 1.145 nan 8.190 nan 0.000 0.453 187 G N 3.543 112.374 108.800 0.052 0.000 2.450 187 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.302 187 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.302 187 G C 0.291 175.229 174.900 0.064 0.000 0.957 187 G CA 0.682 45.817 45.100 0.059 0.000 1.005 187 G HN 0.677 nan 8.290 nan 0.000 0.514 188 E N -0.797 119.457 120.200 0.090 0.000 2.875 188 E HA 0.384 4.734 4.350 -0.000 0.000 0.208 188 E C 0.814 177.470 176.600 0.093 0.000 0.712 188 E CA -0.932 55.520 56.400 0.086 0.000 1.321 188 E CB 0.586 30.351 29.700 0.107 0.000 1.796 188 E HN 0.327 nan 8.360 nan 0.000 0.410 189 R N 0.586 121.142 120.500 0.094 0.000 2.267 189 R HA 0.185 4.525 4.340 -0.000 0.000 0.319 189 R C 1.148 177.482 176.300 0.057 0.000 1.067 189 R CA 0.082 56.221 56.100 0.064 0.000 0.936 189 R CB 0.507 30.838 30.300 0.052 0.000 1.006 189 R HN 0.379 nan 8.270 nan 0.000 0.452 190 T N 2.827 117.392 114.554 0.019 0.000 2.720 190 T HA -0.177 4.173 4.350 -0.000 0.000 0.268 190 T C 1.705 176.357 174.700 -0.081 0.000 1.037 190 T CA 1.713 63.791 62.100 -0.035 0.000 1.144 190 T CB -0.050 68.792 68.868 -0.043 0.000 0.864 190 T HN 0.606 nan 8.240 nan 0.000 0.444 191 R N 1.441 121.912 120.500 -0.048 0.000 2.293 191 R HA 0.021 4.361 4.340 -0.000 0.000 0.219 191 R C 1.736 178.002 176.300 -0.057 0.000 1.091 191 R CA 1.484 57.548 56.100 -0.060 0.000 1.004 191 R CB -0.354 29.928 30.300 -0.030 0.000 0.865 191 R HN 0.396 nan 8.270 nan 0.000 0.469 192 E N 0.074 120.263 120.200 -0.018 0.000 2.358 192 E HA 0.005 4.355 4.350 -0.000 0.000 0.195 192 E C 1.692 178.274 176.600 -0.029 0.000 1.010 192 E CA 0.706 57.113 56.400 0.012 0.000 0.856 192 E CB 0.249 30.002 29.700 0.088 0.000 0.795 192 E HN 0.663 nan 8.360 nan 0.000 0.504 193 G N 1.422 110.134 108.800 -0.146 0.000 2.471 193 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.211 193 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.211 193 G C 1.302 176.000 174.900 -0.337 0.000 1.194 193 G CA 0.600 45.445 45.100 -0.425 0.000 0.816 193 G HN 0.215 nan 8.290 nan 0.000 0.545 194 N N 0.765 119.274 118.700 -0.318 0.000 2.111 194 N HA -0.213 4.527 4.740 -0.000 0.000 0.197 194 N C 1.645 176.960 175.510 -0.324 0.000 1.011 194 N CA 2.106 54.968 53.050 -0.313 0.000 0.880 194 N CB -0.185 38.139 38.487 -0.272 0.000 1.031 194 N HN 0.170 nan 8.380 nan 0.000 0.444 195 D N -0.519 119.764 120.400 -0.196 0.000 2.144 195 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 195 D C 1.869 178.122 176.300 -0.078 0.000 0.978 195 D CA 0.534 54.462 54.000 -0.120 0.000 0.833 195 D CB -0.323 40.440 40.800 -0.062 0.000 0.961 195 D HN 0.307 nan 8.370 nan 0.000 0.470 196 L N -0.275 120.897 121.223 -0.085 0.000 1.988 196 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 196 L C 2.133 179.013 176.870 0.016 0.000 1.071 196 L CA 1.450 56.237 54.840 -0.088 0.000 0.744 196 L CB -0.810 41.146 42.059 -0.172 0.000 0.893 196 L HN -0.018 nan 8.230 nan 0.000 0.433 197 Y N 0.627 120.854 120.300 -0.122 0.000 1.977 197 Y HA -0.405 4.145 4.550 -0.000 0.000 0.264 197 Y C 2.892 178.842 175.900 0.083 0.000 1.167 197 Y CA 2.419 60.498 58.100 -0.034 0.000 1.102 197 Y CB -1.079 37.338 38.460 -0.071 0.000 0.948 197 Y HN 0.426 nan 8.280 nan 0.000 0.489 198 H N -0.198 118.838 119.070 -0.056 0.000 2.321 198 H HA -0.181 4.375 4.556 -0.000 0.000 0.295 198 H C 2.267 177.526 175.328 -0.114 0.000 1.102 198 H CA 1.741 57.703 56.048 -0.144 0.000 1.266 198 H CB -0.818 28.895 29.762 -0.081 0.000 1.363 198 H HN 0.586 nan 8.280 nan 0.000 0.492 199 E N -0.155 120.077 120.200 0.054 0.000 2.265 199 E HA -0.136 4.214 4.350 -0.000 0.000 0.196 199 E C 1.707 178.289 176.600 -0.031 0.000 0.996 199 E CA 0.718 57.115 56.400 -0.004 0.000 0.832 199 E CB -0.020 29.664 29.700 -0.026 0.000 0.756 199 E HN 0.399 nan 8.360 nan 0.000 0.491 200 M N -0.342 119.240 119.600 -0.031 0.000 2.465 200 M HA 0.130 4.610 4.480 -0.000 0.000 0.249 200 M C 1.527 177.797 176.300 -0.049 0.000 1.130 200 M CA 0.038 55.317 55.300 -0.034 0.000 1.067 200 M CB 0.504 33.097 32.600 -0.011 0.000 1.394 200 M HN 0.137 nan 8.290 nan 0.000 0.483 201 I N -0.206 120.306 120.570 -0.095 0.000 2.385 201 I HA -0.173 3.997 4.170 -0.000 0.000 0.244 201 I C 2.129 178.186 176.117 -0.099 0.000 1.089 201 I CA 0.932 62.151 61.300 -0.135 0.000 1.410 201 I CB -0.057 37.788 38.000 -0.258 0.000 1.117 201 I HN 0.193 nan 8.210 nan 0.000 0.429 202 E N 0.581 120.724 120.200 -0.095 0.000 2.048 202 E HA -0.298 4.052 4.350 -0.000 0.000 0.202 202 E C 2.214 178.783 176.600 -0.051 0.000 1.021 202 E CA 2.166 58.523 56.400 -0.072 0.000 0.825 202 E CB -0.242 29.422 29.700 -0.060 0.000 0.756 202 E HN 0.488 nan 8.360 nan 0.000 0.454 203 S N -0.521 115.153 115.700 -0.043 0.000 2.447 203 S HA -0.022 4.448 4.470 -0.000 0.000 0.233 203 S C 1.504 176.088 174.600 -0.027 0.000 1.006 203 S CA 0.966 59.147 58.200 -0.032 0.000 0.957 203 S CB 0.034 63.215 63.200 -0.032 0.000 0.773 203 S HN 0.457 nan 8.310 nan 0.000 0.507 204 G N 0.092 108.874 108.800 -0.031 0.000 2.212 204 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.255 204 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.255 204 G C 0.449 175.347 174.900 -0.003 0.000 1.062 204 G CA 0.162 45.249 45.100 -0.021 0.000 0.815 204 G HN 0.825 nan 8.290 nan 0.000 0.497 205 V N -1.114 118.800 119.914 0.001 0.000 2.725 205 V HA 0.304 4.424 4.120 -0.000 0.000 0.247 205 V C 1.569 177.688 176.094 0.041 0.000 1.058 205 V CA 1.186 63.500 62.300 0.023 0.000 1.080 205 V CB -0.060 31.775 31.823 0.020 0.000 0.713 205 V HN 0.441 nan 8.190 nan 0.000 0.465 206 I N 1.615 122.203 120.570 0.031 0.000 2.385 206 I HA 0.379 4.549 4.170 -0.000 0.000 0.294 206 I C -0.097 176.029 176.117 0.015 0.000 0.988 206 I CA 0.106 61.435 61.300 0.048 0.000 1.265 206 I CB 1.260 39.302 38.000 0.071 0.000 1.388 206 I HN 0.075 nan 8.210 nan 0.000 0.480 207 N N 5.874 124.592 118.700 0.031 0.000 2.461 207 N HA 0.341 5.081 4.740 -0.000 0.000 0.284 207 N C 0.208 175.730 175.510 0.020 0.000 1.049 207 N CA -0.428 52.628 53.050 0.011 0.000 0.889 207 N CB 1.719 40.217 38.487 0.018 0.000 1.365 207 N HN 0.526 nan 8.380 nan 0.000 0.499 208 L N 2.130 123.351 121.223 -0.002 0.000 2.217 208 L HA 0.006 4.346 4.340 -0.000 0.000 0.211 208 L C 2.018 178.898 176.870 0.016 0.000 1.107 208 L CA 0.648 55.495 54.840 0.011 0.000 0.783 208 L CB -0.108 41.943 42.059 -0.013 0.000 0.919 208 L HN 0.355 nan 8.230 nan 0.000 0.442 209 K N 0.130 120.535 120.400 0.007 0.000 2.031 209 K HA -0.001 4.319 4.320 -0.000 0.000 0.205 209 K C 0.598 177.210 176.600 0.020 0.000 1.049 209 K CA 0.933 57.226 56.287 0.009 0.000 0.939 209 K CB -0.140 32.361 32.500 0.001 0.000 0.717 209 K HN 0.341 nan 8.250 nan 0.000 0.438 210 D N -1.047 119.369 120.400 0.026 0.000 2.538 210 D HA 0.302 4.942 4.640 -0.000 0.000 0.262 210 D C -0.080 176.250 176.300 0.049 0.000 1.186 210 D CA -0.434 53.587 54.000 0.035 0.000 1.090 210 D CB 0.462 41.284 40.800 0.036 0.000 1.187 210 D HN -0.029 nan 8.370 nan 0.000 0.614 211 A N -0.183 122.672 122.820 0.059 0.000 2.594 211 A HA 0.210 4.530 4.320 -0.000 0.000 0.292 211 A C 0.832 178.475 177.584 0.098 0.000 1.026 211 A CA -0.175 51.910 52.037 0.080 0.000 0.983 211 A CB -0.555 18.491 19.000 0.076 0.000 1.233 211 A HN 0.417 nan 8.150 nan 0.000 0.519 212 T N -1.774 112.828 114.554 0.080 0.000 3.194 212 T HA 0.133 4.483 4.350 -0.000 0.000 0.251 212 T C 0.684 175.440 174.700 0.094 0.000 1.132 212 T CA 0.411 62.559 62.100 0.080 0.000 1.028 212 T CB -0.445 68.453 68.868 0.050 0.000 0.976 212 T HN 0.196 nan 8.240 nan 0.000 0.535 213 S N 2.050 117.817 115.700 0.111 0.000 2.564 213 S HA 0.267 4.737 4.470 -0.000 0.000 0.278 213 S C 0.896 175.599 174.600 0.171 0.000 1.333 213 S CA -0.697 57.574 58.200 0.118 0.000 1.048 213 S CB 0.866 64.135 63.200 0.114 0.000 0.900 213 S HN 0.249 nan 8.310 nan 0.000 0.505 214 K N 1.249 121.736 120.400 0.145 0.000 2.387 214 K HA 0.320 4.640 4.320 -0.000 0.000 0.203 214 K C -0.603 176.099 176.600 0.170 0.000 1.030 214 K CA 0.139 56.532 56.287 0.176 0.000 1.099 214 K CB 0.604 33.160 32.500 0.093 0.000 0.863 214 K HN 0.369 nan 8.250 nan 0.000 0.529 215 V N 0.591 120.580 119.914 0.124 0.000 2.888 215 V HA 0.559 4.679 4.120 -0.000 0.000 0.309 215 V C -1.083 175.046 176.094 0.059 0.000 1.114 215 V CA -1.286 61.063 62.300 0.082 0.000 0.940 215 V CB 2.056 33.934 31.823 0.092 0.000 1.021 215 V HN 0.149 nan 8.190 nan 0.000 0.426 216 A N 4.850 127.677 122.820 0.013 0.000 2.337 216 A HA 0.945 5.265 4.320 -0.000 0.000 0.329 216 A C -1.097 176.538 177.584 0.085 0.000 1.146 216 A CA -0.572 51.486 52.037 0.034 0.000 0.800 216 A CB 1.056 20.043 19.000 -0.022 0.000 1.220 216 A HN 0.767 nan 8.150 nan 0.000 0.472 217 L N 2.524 123.812 121.223 0.107 0.000 2.333 217 L HA 0.570 4.910 4.340 -0.000 0.000 0.280 217 L C -1.056 175.884 176.870 0.115 0.000 1.004 217 L CA -0.903 54.028 54.840 0.152 0.000 0.820 217 L CB 1.754 43.948 42.059 0.225 0.000 1.247 217 L HN 0.440 nan 8.230 nan 0.000 0.416 218 V N 2.769 122.706 119.914 0.038 0.000 2.444 218 V HA 0.448 4.568 4.120 -0.000 0.000 0.294 218 V C -1.125 174.921 176.094 -0.079 0.000 1.022 218 V CA -0.687 61.616 62.300 0.004 0.000 0.850 218 V CB 1.439 33.232 31.823 -0.049 0.000 0.992 218 V HN 0.466 nan 8.190 nan 0.000 0.426 219 Y N 1.864 122.170 120.300 0.010 0.000 2.373 219 Y HA 0.731 5.281 4.550 -0.000 0.000 0.336 219 Y C 0.536 176.435 175.900 -0.001 0.000 0.979 219 Y CA -0.527 57.583 58.100 0.016 0.000 1.080 219 Y CB 2.736 41.197 38.460 0.002 0.000 1.190 219 Y HN 0.761 nan 8.280 nan 0.000 0.446 220 G N 4.340 113.226 108.800 0.144 0.000 3.171 220 G HA2 0.375 4.335 3.960 -0.000 0.000 0.305 220 G HA3 0.375 4.335 3.960 -0.000 0.000 0.305 220 G C -0.997 173.962 174.900 0.099 0.000 1.584 220 G CA -0.526 44.632 45.100 0.096 0.000 1.070 220 G HN 0.314 nan 8.290 nan 0.000 0.535 221 Q N 1.234 121.103 119.800 0.115 0.000 2.189 221 Q HA 0.271 4.611 4.340 -0.000 0.000 0.193 221 Q C 1.842 177.878 176.000 0.059 0.000 1.034 221 Q CA -0.818 55.050 55.803 0.107 0.000 1.062 221 Q CB 0.812 29.622 28.738 0.120 0.000 1.118 221 Q HN 0.762 nan 8.270 nan 0.000 0.569 222 M N -0.843 118.788 119.600 0.051 0.000 2.747 222 M HA 0.025 4.505 4.480 -0.000 0.000 0.221 222 M C 0.195 176.507 176.300 0.020 0.000 1.107 222 M CA 1.144 56.462 55.300 0.030 0.000 1.031 222 M CB -0.814 31.799 32.600 0.022 0.000 1.727 222 M HN 0.525 nan 8.290 nan 0.000 0.517 223 N N -0.502 118.211 118.700 0.021 0.000 2.227 223 N HA 0.112 4.852 4.740 -0.000 0.000 0.196 223 N C -0.502 175.015 175.510 0.011 0.000 1.142 223 N CA -0.520 52.537 53.050 0.012 0.000 0.887 223 N CB 0.295 38.786 38.487 0.008 0.000 1.022 223 N HN 0.427 nan 8.380 nan 0.000 0.500 224 E N 1.522 121.732 120.200 0.015 0.000 2.277 224 E HA 0.298 4.648 4.350 -0.000 0.000 0.274 224 E C -2.416 174.189 176.600 0.008 0.000 1.022 224 E CA -2.154 54.253 56.400 0.012 0.000 0.853 224 E CB 0.475 30.186 29.700 0.018 0.000 1.086 224 E HN 0.019 nan 8.360 nan 0.000 0.397 225 P HA -0.114 nan 4.420 nan 0.000 0.271 225 P C -1.893 175.405 177.300 -0.003 0.000 1.212 225 P CA -0.541 62.558 63.100 -0.000 0.000 0.788 225 P CB -0.283 31.416 31.700 -0.001 0.000 0.865 226 P HA -0.200 nan 4.420 nan 0.000 0.213 226 P C 1.533 178.823 177.300 -0.017 0.000 1.170 226 P CA 2.216 65.303 63.100 -0.021 0.000 0.898 226 P CB -0.602 31.081 31.700 -0.027 0.000 0.787 227 G N 0.302 109.096 108.800 -0.011 0.000 2.599 227 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.219 227 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.219 227 G C 1.729 176.635 174.900 0.010 0.000 1.193 227 G CA 1.758 46.858 45.100 -0.000 0.000 0.778 227 G HN 0.384 nan 8.290 nan 0.000 0.589 228 A N 0.337 123.163 122.820 0.009 0.000 1.908 228 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 228 A C 2.479 180.076 177.584 0.022 0.000 1.181 228 A CA 1.923 53.968 52.037 0.014 0.000 0.627 228 A CB -0.431 18.576 19.000 0.012 0.000 0.818 228 A HN 0.402 nan 8.150 nan 0.000 0.445 229 R N -0.831 119.681 120.500 0.020 0.000 2.090 229 R HA 0.004 4.344 4.340 -0.000 0.000 0.228 229 R C 2.484 178.820 176.300 0.060 0.000 1.110 229 R CA 0.955 57.074 56.100 0.030 0.000 0.973 229 R CB -0.431 29.876 30.300 0.013 0.000 0.869 229 R HN 0.520 nan 8.270 nan 0.000 0.440 230 A N 1.070 123.908 122.820 0.030 0.000 1.948 230 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 230 A C 1.990 179.695 177.584 0.203 0.000 1.177 230 A CA 1.451 53.511 52.037 0.039 0.000 0.636 230 A CB -0.164 18.825 19.000 -0.019 0.000 0.815 230 A HN 0.092 nan 8.150 nan 0.000 0.449 231 R N -1.275 119.292 120.500 0.112 0.000 2.119 231 R HA 0.042 4.382 4.340 -0.000 0.000 0.202 231 R C 2.289 178.589 176.300 0.000 0.000 1.114 231 R CA 1.297 57.436 56.100 0.065 0.000 1.089 231 R CB -1.513 28.799 30.300 0.020 0.000 1.000 231 R HN 0.602 nan 8.270 nan 0.000 0.487 232 V N 0.281 120.194 119.914 -0.002 0.000 2.418 232 V HA -0.278 3.842 4.120 -0.000 0.000 0.258 232 V C 2.171 178.220 176.094 -0.076 0.000 1.088 232 V CA 2.261 64.541 62.300 -0.033 0.000 1.091 232 V CB -1.330 30.486 31.823 -0.012 0.000 0.669 232 V HN 0.220 nan 8.190 nan 0.000 0.461 233 A N 0.296 123.069 122.820 -0.078 0.000 2.024 233 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 233 A C 2.241 179.689 177.584 -0.226 0.000 1.164 233 A CA 2.285 54.210 52.037 -0.187 0.000 0.643 233 A CB -0.540 18.280 19.000 -0.301 0.000 0.806 233 A HN 0.658 nan 8.150 nan 0.000 0.451 234 L N -1.850 119.258 121.223 -0.192 0.000 2.202 234 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 234 L C 2.686 179.468 176.870 -0.146 0.000 1.083 234 L CA 1.120 55.845 54.840 -0.193 0.000 0.790 234 L CB -0.874 41.056 42.059 -0.214 0.000 0.942 234 L HN 0.286 nan 8.230 nan 0.000 0.452 235 T N 0.329 114.810 114.554 -0.121 0.000 2.516 235 T HA -0.242 4.108 4.350 -0.000 0.000 0.261 235 T C 1.819 176.478 174.700 -0.068 0.000 1.130 235 T CA 1.954 64.003 62.100 -0.085 0.000 1.193 235 T CB -0.863 67.966 68.868 -0.064 0.000 0.864 235 T HN 0.542 nan 8.240 nan 0.000 0.410 236 G N 1.252 110.005 108.800 -0.079 0.000 2.507 236 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.221 236 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.221 236 G C 1.496 176.350 174.900 -0.077 0.000 1.119 236 G CA 0.955 46.008 45.100 -0.078 0.000 0.751 236 G HN 0.330 nan 8.290 nan 0.000 0.574 237 L N 1.099 122.259 121.223 -0.105 0.000 1.955 237 L HA -0.067 4.272 4.340 -0.000 0.000 0.213 237 L C 3.133 179.981 176.870 -0.036 0.000 1.072 237 L CA 2.652 57.434 54.840 -0.097 0.000 0.755 237 L CB -1.280 40.698 42.059 -0.135 0.000 0.888 237 L HN 0.257 nan 8.230 nan 0.000 0.432 238 T N -1.014 113.522 114.554 -0.030 0.000 2.653 238 T HA -0.249 4.101 4.350 -0.000 0.000 0.268 238 T C 1.988 176.737 174.700 0.082 0.000 1.035 238 T CA 1.863 63.973 62.100 0.016 0.000 1.154 238 T CB -0.734 68.134 68.868 -0.001 0.000 0.862 238 T HN 0.193 nan 8.240 nan 0.000 0.441 239 V N 1.975 121.939 119.914 0.083 0.000 2.220 239 V HA -0.279 3.841 4.120 -0.000 0.000 0.250 239 V C 2.947 179.212 176.094 0.285 0.000 1.056 239 V CA 2.028 64.432 62.300 0.174 0.000 1.016 239 V CB -1.401 30.492 31.823 0.116 0.000 0.639 239 V HN 0.609 nan 8.190 nan 0.000 0.446 240 A N -1.082 121.828 122.820 0.149 0.000 1.986 240 A HA -0.311 4.009 4.320 -0.000 0.000 0.220 240 A C 2.187 179.882 177.584 0.186 0.000 1.171 240 A CA 2.239 54.362 52.037 0.142 0.000 0.640 240 A CB -0.581 18.432 19.000 0.021 0.000 0.811 240 A HN 0.670 nan 8.150 nan 0.000 0.451 241 E N -1.623 118.660 120.200 0.139 0.000 2.031 241 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 241 E C 1.798 178.475 176.600 0.129 0.000 0.994 241 E CA 1.544 58.005 56.400 0.101 0.000 0.800 241 E CB -0.339 29.402 29.700 0.069 0.000 0.752 241 E HN 0.772 nan 8.360 nan 0.000 0.447 242 Y N 0.426 120.758 120.300 0.053 0.000 2.030 242 Y HA -0.326 4.224 4.550 -0.000 0.000 0.274 242 Y C 1.876 177.749 175.900 -0.044 0.000 1.153 242 Y CA 2.097 60.181 58.100 -0.026 0.000 1.115 242 Y CB -0.694 37.709 38.460 -0.095 0.000 0.969 242 Y HN 0.027 nan 8.280 nan 0.000 0.488 243 F N 0.632 120.610 119.950 0.048 0.000 2.271 243 F HA -0.255 4.272 4.527 0.000 0.000 0.302 243 F C 2.706 178.461 175.800 -0.076 0.000 1.063 243 F CA 2.016 59.979 58.000 -0.061 0.000 1.362 243 F CB -0.468 38.574 39.000 0.071 0.000 1.060 243 F HN 0.142 nan 8.300 nan 0.000 0.521 244 R N 0.155 120.702 120.500 0.079 0.000 2.064 244 R HA -0.071 4.269 4.340 -0.000 0.000 0.221 244 R C 1.663 177.929 176.300 -0.057 0.000 1.136 244 R CA 1.523 57.643 56.100 0.033 0.000 0.980 244 R CB -0.206 30.115 30.300 0.035 0.000 0.876 244 R HN 0.087 nan 8.270 nan 0.000 0.437 245 D N 1.273 121.606 120.400 -0.112 0.000 2.121 245 D HA -0.092 4.548 4.640 -0.000 0.000 0.209 245 D C 0.587 176.757 176.300 -0.217 0.000 0.981 245 D CA 0.891 54.812 54.000 -0.131 0.000 0.875 245 D CB -0.384 40.362 40.800 -0.089 0.000 1.016 245 D HN 0.217 nan 8.370 nan 0.000 0.452 246 Q N 0.961 120.530 119.800 -0.386 0.000 3.047 246 Q HA 0.128 4.468 4.340 -0.000 0.000 0.273 246 Q C -0.177 175.478 176.000 -0.575 0.000 1.243 246 Q CA 0.463 55.988 55.803 -0.463 0.000 0.929 246 Q CB 0.250 28.686 28.738 -0.504 0.000 1.721 246 Q HN 0.454 nan 8.270 nan 0.000 0.471 247 E N -0.777 119.230 120.200 -0.321 0.000 1.728 247 E HA 0.065 4.415 4.350 -0.000 0.000 0.184 247 E C 0.288 176.852 176.600 -0.060 0.000 0.835 247 E CA 0.417 56.706 56.400 -0.185 0.000 1.178 247 E CB -0.311 29.259 29.700 -0.216 0.000 3.283 247 E HN 0.526 nan 8.360 nan 0.000 0.662 248 G N 2.448 111.206 108.800 -0.071 0.000 2.293 248 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.271 248 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.271 248 G C -0.015 174.896 174.900 0.019 0.000 0.857 248 G CA 1.624 46.709 45.100 -0.025 0.000 1.221 248 G HN 0.199 nan 8.290 nan 0.000 0.445 249 Q N -0.555 119.282 119.800 0.062 0.000 2.418 249 Q HA 0.579 4.919 4.340 -0.000 0.000 0.276 249 Q C -0.758 175.312 176.000 0.116 0.000 1.081 249 Q CA -0.893 54.984 55.803 0.123 0.000 0.864 249 Q CB 1.187 30.096 28.738 0.286 0.000 1.384 249 Q HN 0.136 nan 8.270 nan 0.000 0.467 250 D N 0.698 121.165 120.400 0.110 0.000 2.411 250 D HA 0.283 4.923 4.640 -0.000 0.000 0.225 250 D C -1.060 175.357 176.300 0.196 0.000 1.156 250 D CA 0.047 54.118 54.000 0.119 0.000 0.874 250 D CB 0.644 41.487 40.800 0.072 0.000 1.034 250 D HN 0.213 nan 8.370 nan 0.000 0.502 251 V N 3.401 123.407 119.914 0.152 0.000 2.481 251 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 251 V C 0.446 176.556 176.094 0.027 0.000 1.042 251 V CA -0.785 61.593 62.300 0.129 0.000 0.928 251 V CB 1.788 33.681 31.823 0.115 0.000 0.986 251 V HN 0.347 nan 8.190 nan 0.000 0.462 252 L N 5.201 126.418 121.223 -0.010 0.000 2.294 252 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 252 L C -0.941 175.818 176.870 -0.185 0.000 1.015 252 L CA -0.602 54.137 54.840 -0.169 0.000 0.831 252 L CB 1.562 43.540 42.059 -0.136 0.000 1.217 252 L HN 0.456 nan 8.230 nan 0.000 0.420 253 L N 4.820 125.839 121.223 -0.340 0.000 2.280 253 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 253 L C -1.073 175.504 176.870 -0.488 0.000 1.023 253 L CA 0.104 54.774 54.840 -0.283 0.000 0.819 253 L CB 0.806 42.733 42.059 -0.220 0.000 1.212 253 L HN 0.177 nan 8.230 nan 0.000 0.420 254 F N 5.992 125.808 119.950 -0.223 0.000 2.411 254 F HA 0.573 5.100 4.527 -0.000 0.000 0.352 254 F C 0.204 175.606 175.800 -0.665 0.000 1.123 254 F CA -0.429 57.361 58.000 -0.349 0.000 1.044 254 F CB 1.148 40.040 39.000 -0.179 0.000 1.135 254 F HN 0.246 nan 8.300 nan 0.000 0.461 255 I N 2.634 122.972 120.570 -0.387 0.000 2.603 255 I HA 0.439 4.609 4.170 -0.000 0.000 0.300 255 I C -1.170 174.729 176.117 -0.363 0.000 1.017 255 I CA -0.726 60.294 61.300 -0.466 0.000 1.098 255 I CB 2.223 40.030 38.000 -0.322 0.000 1.279 255 I HN 0.423 nan 8.210 nan 0.000 0.437 256 D N 4.603 124.799 120.400 -0.339 0.000 2.354 256 D HA 0.188 4.828 4.640 -0.000 0.000 0.230 256 D C -1.749 174.519 176.300 -0.053 0.000 1.361 256 D CA -0.278 53.653 54.000 -0.114 0.000 0.992 256 D CB 1.115 41.922 40.800 0.012 0.000 1.409 256 D HN 0.453 nan 8.370 nan 0.000 0.573 257 N N 4.495 123.192 118.700 -0.004 0.000 2.410 257 N HA 0.167 4.907 4.740 -0.000 0.000 0.287 257 N C 0.835 176.377 175.510 0.053 0.000 1.044 257 N CA -0.522 52.550 53.050 0.036 0.000 0.881 257 N CB 1.519 40.077 38.487 0.118 0.000 1.405 257 N HN 0.301 nan 8.380 nan 0.000 0.490 258 I N 3.974 124.542 120.570 -0.002 0.000 2.530 258 I HA -0.148 4.022 4.170 -0.000 0.000 0.257 258 I C 1.652 177.830 176.117 0.102 0.000 1.179 258 I CA 0.839 62.130 61.300 -0.016 0.000 1.440 258 I CB -0.816 37.118 38.000 -0.110 0.000 1.087 258 I HN 0.616 nan 8.210 nan 0.000 0.440 259 F N 1.667 121.637 119.950 0.033 0.000 2.126 259 F HA -0.223 4.304 4.527 0.000 0.000 0.299 259 F C 2.301 178.156 175.800 0.092 0.000 1.096 259 F CA 1.507 59.560 58.000 0.087 0.000 1.255 259 F CB -0.351 38.747 39.000 0.164 0.000 0.997 259 F HN -0.029 nan 8.300 nan 0.000 0.479 260 R N -0.074 120.496 120.500 0.116 0.000 2.293 260 R HA -0.175 4.165 4.340 -0.000 0.000 0.219 260 R C 2.020 178.255 176.300 -0.108 0.000 1.091 260 R CA 1.020 57.118 56.100 -0.004 0.000 1.004 260 R CB -1.583 28.776 30.300 0.098 0.000 0.865 260 R HN 0.473 nan 8.270 nan 0.000 0.469 261 F N 1.283 121.104 119.950 -0.214 0.000 2.128 261 F HA -0.097 4.430 4.527 -0.000 0.000 0.295 261 F C 1.982 177.642 175.800 -0.234 0.000 1.100 261 F CA 1.411 59.298 58.000 -0.188 0.000 1.260 261 F CB -0.423 38.481 39.000 -0.160 0.000 1.009 261 F HN -0.154 nan 8.300 nan 0.000 0.476 262 T N 0.436 114.680 114.554 -0.517 0.000 2.821 262 T HA -0.205 4.145 4.350 -0.000 0.000 0.267 262 T C 1.908 176.277 174.700 -0.551 0.000 1.046 262 T CA 1.506 63.222 62.100 -0.640 0.000 1.139 262 T CB -0.326 68.253 68.868 -0.482 0.000 0.871 262 T HN 0.423 nan 8.240 nan 0.000 0.454 263 Q N 0.630 120.032 119.800 -0.663 0.000 2.030 263 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 263 Q C 2.555 178.432 176.000 -0.204 0.000 0.986 263 Q CA 1.701 57.266 55.803 -0.398 0.000 0.843 263 Q CB -0.325 28.149 28.738 -0.440 0.000 0.904 263 Q HN 0.526 nan 8.270 nan 0.000 0.420 264 A N 0.565 123.250 122.820 -0.226 0.000 1.908 264 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 264 A C 2.245 179.720 177.584 -0.181 0.000 1.181 264 A CA 1.802 53.747 52.037 -0.153 0.000 0.627 264 A CB -1.507 17.418 19.000 -0.126 0.000 0.818 264 A HN 0.643 nan 8.150 nan 0.000 0.445 265 G N -0.454 108.158 108.800 -0.313 0.000 2.586 265 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.218 265 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.218 265 G C 1.954 176.771 174.900 -0.138 0.000 1.216 265 G CA 1.989 46.918 45.100 -0.284 0.000 0.786 265 G HN 0.683 nan 8.290 nan 0.000 0.583 266 S N 0.867 116.516 115.700 -0.085 0.000 2.389 266 S HA -0.220 4.250 4.470 -0.000 0.000 0.231 266 S C 2.250 176.845 174.600 -0.008 0.000 1.052 266 S CA 2.190 60.405 58.200 0.025 0.000 1.053 266 S CB -0.489 62.803 63.200 0.154 0.000 0.886 266 S HN 0.650 nan 8.310 nan 0.000 0.456 267 E N 0.194 120.376 120.200 -0.029 0.000 2.204 267 E HA -0.093 4.257 4.350 -0.000 0.000 0.195 267 E C 2.201 178.786 176.600 -0.026 0.000 0.990 267 E CA 1.484 57.870 56.400 -0.024 0.000 0.821 267 E CB -0.342 29.343 29.700 -0.024 0.000 0.750 267 E HN 0.668 nan 8.360 nan 0.000 0.477 268 V N -0.795 119.096 119.914 -0.038 0.000 2.795 268 V HA -0.002 4.118 4.120 -0.000 0.000 0.243 268 V C 2.257 178.334 176.094 -0.029 0.000 1.069 268 V CA 1.443 63.723 62.300 -0.034 0.000 1.089 268 V CB 0.512 32.311 31.823 -0.041 0.000 0.756 268 V HN 0.163 nan 8.190 nan 0.000 0.471 269 S N 0.777 116.458 115.700 -0.031 0.000 2.402 269 S HA -0.197 4.273 4.470 -0.000 0.000 0.233 269 S C 2.159 176.752 174.600 -0.012 0.000 1.030 269 S CA 2.133 60.321 58.200 -0.020 0.000 1.003 269 S CB -0.668 62.524 63.200 -0.013 0.000 0.813 269 S HN 1.114 nan 8.310 nan 0.000 0.477 270 A N 0.963 123.776 122.820 -0.011 0.000 1.865 270 A HA -0.032 4.287 4.320 -0.000 0.000 0.217 270 A C 2.002 179.580 177.584 -0.011 0.000 1.191 270 A CA 1.912 53.943 52.037 -0.010 0.000 0.623 270 A CB -0.661 18.332 19.000 -0.011 0.000 0.826 270 A HN 0.603 nan 8.150 nan 0.000 0.444 271 L N -1.133 120.082 121.223 -0.014 0.000 2.463 271 L HA 0.222 4.562 4.340 -0.000 0.000 0.219 271 L C 1.997 178.857 176.870 -0.016 0.000 1.088 271 L CA 0.200 55.031 54.840 -0.015 0.000 0.849 271 L CB -0.504 41.545 42.059 -0.016 0.000 1.012 271 L HN 0.204 nan 8.230 nan 0.000 0.468 272 L N 0.992 122.204 121.223 -0.017 0.000 2.189 272 L HA -0.156 4.184 4.340 -0.000 0.000 0.214 272 L C 1.644 178.506 176.870 -0.013 0.000 1.097 272 L CA 1.461 56.291 54.840 -0.017 0.000 0.764 272 L CB -0.738 41.310 42.059 -0.018 0.000 0.900 272 L HN 0.684 nan 8.230 nan 0.000 0.436 273 G N -0.647 108.147 108.800 -0.010 0.000 2.144 273 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 273 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 273 G C 0.122 175.020 174.900 -0.003 0.000 0.988 273 G CA -0.190 44.906 45.100 -0.007 0.000 0.659 273 G HN 0.247 nan 8.290 nan 0.000 0.522 274 R N -0.191 120.308 120.500 -0.002 0.000 2.784 274 R HA 0.565 4.905 4.340 -0.000 0.000 0.266 274 R C 1.073 177.376 176.300 0.004 0.000 1.044 274 R CA -0.026 56.076 56.100 0.002 0.000 1.151 274 R CB 0.374 30.676 30.300 0.003 0.000 1.037 274 R HN 0.339 nan 8.270 nan 0.000 0.478 275 I N 4.486 125.060 120.570 0.008 0.000 2.371 275 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 275 I C -1.587 174.538 176.117 0.014 0.000 1.028 275 I CA -2.034 59.271 61.300 0.009 0.000 1.345 275 I CB 1.122 39.128 38.000 0.010 0.000 1.407 275 I HN 0.374 nan 8.210 nan 0.000 0.501 276 P HA -0.035 nan 4.420 nan 0.000 0.265 276 P C -0.391 176.927 177.300 0.030 0.000 1.187 276 P CA 0.171 63.282 63.100 0.020 0.000 0.766 276 P CB 1.012 32.716 31.700 0.008 0.000 0.820 277 S N 1.594 117.324 115.700 0.050 0.000 2.618 277 S HA 0.649 5.119 4.470 -0.000 0.000 0.284 277 S C -0.199 174.442 174.600 0.068 0.000 1.102 277 S CA -0.327 57.910 58.200 0.061 0.000 0.984 277 S CB 0.441 63.687 63.200 0.078 0.000 1.280 277 S HN 0.576 nan 8.310 nan 0.000 0.525 278 A N 0.490 123.362 122.820 0.086 0.000 2.540 278 A HA 0.423 4.743 4.320 -0.000 0.000 0.239 278 A C 1.036 178.670 177.584 0.084 0.000 1.061 278 A CA 0.453 52.539 52.037 0.081 0.000 0.758 278 A CB -0.953 18.104 19.000 0.095 0.000 0.991 278 A HN 1.675 nan 8.150 nan 0.000 0.502 279 V N 1.242 121.169 119.914 0.021 0.000 3.191 279 V HA -0.322 3.798 4.120 -0.000 0.000 0.181 279 V C 1.821 177.815 176.094 -0.166 0.000 0.444 279 V CA 1.692 63.960 62.300 -0.055 0.000 1.114 279 V CB -2.441 29.358 31.823 -0.040 0.000 1.275 279 V HN 2.934 nan 8.190 nan 0.000 1.153 280 G N -2.521 106.229 108.800 -0.083 0.000 2.195 280 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.246 280 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.246 280 G C 0.012 174.878 174.900 -0.058 0.000 0.984 280 G CA 0.297 45.342 45.100 -0.092 0.000 0.633 280 G HN 0.821 nan 8.290 nan 0.000 0.525 281 Y N 1.997 122.303 120.300 0.011 0.000 2.335 281 Y HA 0.318 4.868 4.550 -0.000 0.000 0.348 281 Y C 1.589 177.478 175.900 -0.018 0.000 1.280 281 Y CA -0.040 58.057 58.100 -0.005 0.000 1.504 281 Y CB 0.351 38.814 38.460 0.005 0.000 1.366 281 Y HN 0.385 nan 8.280 nan 0.000 0.621 282 Q N 1.700 121.610 119.800 0.183 0.000 2.392 282 Q HA 0.062 4.402 4.340 -0.000 0.000 0.262 282 Q C -2.442 173.589 176.000 0.051 0.000 1.003 282 Q CA -1.677 54.163 55.803 0.063 0.000 0.888 282 Q CB 0.615 29.351 28.738 -0.003 0.000 1.260 282 Q HN 0.374 nan 8.270 nan 0.000 0.435 283 P HA -0.107 nan 4.420 nan 0.000 0.221 283 P C 0.622 177.935 177.300 0.021 0.000 1.145 283 P CA 1.686 64.804 63.100 0.031 0.000 0.795 283 P CB 0.039 31.752 31.700 0.022 0.000 0.775 284 T N -4.153 110.405 114.554 0.006 0.000 3.258 284 T HA 0.252 4.602 4.350 -0.000 0.000 0.259 284 T C 1.071 175.761 174.700 -0.017 0.000 0.963 284 T CA -0.392 61.708 62.100 0.001 0.000 0.919 284 T CB -0.978 67.889 68.868 -0.001 0.000 1.110 284 T HN -0.021 nan 8.240 nan 0.000 0.550 285 L N 0.485 121.690 121.223 -0.029 0.000 2.217 285 L HA 0.249 4.589 4.340 -0.000 0.000 0.211 285 L C 2.542 179.394 176.870 -0.031 0.000 1.107 285 L CA 1.258 56.050 54.840 -0.081 0.000 0.783 285 L CB -0.366 41.603 42.059 -0.151 0.000 0.919 285 L HN 0.457 nan 8.230 nan 0.000 0.442 286 A N -0.840 121.989 122.820 0.015 0.000 1.975 286 A HA -0.080 4.240 4.320 -0.000 0.000 0.215 286 A C 2.251 179.887 177.584 0.087 0.000 1.170 286 A CA 1.513 53.586 52.037 0.060 0.000 0.656 286 A CB -0.694 18.345 19.000 0.066 0.000 0.821 286 A HN 0.562 nan 8.150 nan 0.000 0.449 287 T N -3.239 111.355 114.554 0.067 0.000 2.925 287 T HA -0.020 4.330 4.350 -0.000 0.000 0.245 287 T C 1.430 176.182 174.700 0.086 0.000 1.025 287 T CA 0.987 63.133 62.100 0.077 0.000 1.149 287 T CB -0.590 68.313 68.868 0.059 0.000 0.866 287 T HN 0.167 nan 8.240 nan 0.000 0.437 288 D N 1.190 121.633 120.400 0.071 0.000 2.347 288 D HA -0.215 4.425 4.640 -0.000 0.000 0.189 288 D C 1.822 178.252 176.300 0.217 0.000 1.020 288 D CA 1.937 56.000 54.000 0.105 0.000 0.875 288 D CB -0.367 40.432 40.800 -0.001 0.000 0.928 288 D HN 0.483 nan 8.370 nan 0.000 0.454 289 M N -0.285 119.413 119.600 0.163 0.000 2.111 289 M HA -0.046 4.434 4.480 -0.000 0.000 0.257 289 M C 2.297 178.610 176.300 0.022 0.000 1.096 289 M CA 2.318 57.704 55.300 0.143 0.000 1.117 289 M CB -0.759 31.855 32.600 0.025 0.000 1.265 289 M HN 0.057 nan 8.290 nan 0.000 0.427 290 G N -0.048 108.794 108.800 0.069 0.000 2.661 290 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.224 290 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.224 290 G C 1.418 176.401 174.900 0.139 0.000 1.114 290 G CA 2.317 47.550 45.100 0.222 0.000 0.751 290 G HN 0.715 nan 8.290 nan 0.000 0.609 291 T N -1.514 113.094 114.554 0.091 0.000 2.542 291 T HA -0.194 4.156 4.350 -0.000 0.000 0.257 291 T C 2.211 176.924 174.700 0.021 0.000 1.111 291 T CA 2.184 64.325 62.100 0.067 0.000 1.203 291 T CB -0.479 68.435 68.868 0.076 0.000 0.866 291 T HN 0.107 nan 8.240 nan 0.000 0.399 292 M N 0.870 120.460 119.600 -0.015 0.000 2.240 292 M HA -0.263 4.217 4.480 -0.000 0.000 0.250 292 M C 2.277 178.480 176.300 -0.162 0.000 1.075 292 M CA 2.207 57.421 55.300 -0.144 0.000 1.072 292 M CB -1.173 31.223 32.600 -0.339 0.000 1.305 292 M HN 0.428 nan 8.290 nan 0.000 0.414 293 Q N -0.076 119.638 119.800 -0.143 0.000 2.079 293 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 293 Q C 1.829 177.832 176.000 0.005 0.000 0.974 293 Q CA 1.282 56.999 55.803 -0.144 0.000 0.840 293 Q CB -0.352 28.168 28.738 -0.364 0.000 0.898 293 Q HN 0.631 nan 8.270 nan 0.000 0.430 294 E N 0.169 120.412 120.200 0.072 0.000 2.482 294 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 294 E C 1.759 178.371 176.600 0.020 0.000 1.047 294 E CA 0.146 56.590 56.400 0.074 0.000 0.869 294 E CB 0.156 29.910 29.700 0.089 0.000 0.836 294 E HN 0.275 nan 8.360 nan 0.000 0.520 295 R N 0.151 120.646 120.500 -0.008 0.000 2.119 295 R HA 0.058 4.398 4.340 -0.000 0.000 0.222 295 R C 0.907 177.185 176.300 -0.037 0.000 1.088 295 R CA 0.331 56.418 56.100 -0.021 0.000 0.984 295 R CB -0.027 30.253 30.300 -0.033 0.000 0.884 295 R HN 0.012 nan 8.270 nan 0.000 0.447 296 I N 2.001 122.535 120.570 -0.060 0.000 2.453 296 I HA -0.048 4.122 4.170 -0.000 0.000 0.300 296 I C 0.197 176.282 176.117 -0.053 0.000 1.159 296 I CA 0.761 62.016 61.300 -0.076 0.000 1.379 296 I CB 0.373 38.305 38.000 -0.114 0.000 1.460 296 I HN 0.005 nan 8.210 nan 0.000 0.601 297 T N 2.699 117.226 114.554 -0.044 0.000 2.830 297 T HA 0.292 4.642 4.350 -0.000 0.000 0.322 297 T C -0.506 174.172 174.700 -0.037 0.000 1.501 297 T CA -0.589 61.487 62.100 -0.039 0.000 1.036 297 T CB 1.389 70.241 68.868 -0.027 0.000 1.379 297 T HN 0.218 nan 8.240 nan 0.000 0.493 298 T N 3.640 118.170 114.554 -0.039 0.000 2.749 298 T HA 0.566 4.916 4.350 -0.000 0.000 0.295 298 T C 0.572 175.249 174.700 -0.038 0.000 0.936 298 T CA -0.143 61.937 62.100 -0.033 0.000 1.060 298 T CB 0.453 69.302 68.868 -0.032 0.000 0.904 298 T HN 0.867 nan 8.240 nan 0.000 0.500 299 T N 1.158 115.692 114.554 -0.033 0.000 2.889 299 T HA 0.473 4.823 4.350 -0.000 0.000 0.278 299 T C 1.378 176.056 174.700 -0.037 0.000 0.995 299 T CA -0.961 61.115 62.100 -0.040 0.000 0.966 299 T CB 1.216 70.063 68.868 -0.034 0.000 1.237 299 T HN 0.367 nan 8.240 nan 0.000 0.591 300 K N 0.083 120.458 120.400 -0.041 0.000 2.063 300 K HA -0.086 4.234 4.320 -0.000 0.000 0.208 300 K C 2.251 178.836 176.600 -0.025 0.000 1.048 300 K CA 1.397 57.663 56.287 -0.034 0.000 0.928 300 K CB -0.164 32.315 32.500 -0.034 0.000 0.713 300 K HN 0.519 nan 8.250 nan 0.000 0.442 301 K N 0.234 120.619 120.400 -0.025 0.000 1.978 301 K HA -0.072 4.248 4.320 -0.000 0.000 0.221 301 K C 1.307 177.896 176.600 -0.019 0.000 1.036 301 K CA 1.474 57.746 56.287 -0.025 0.000 0.996 301 K CB -0.450 32.031 32.500 -0.030 0.000 0.755 301 K HN 0.209 nan 8.250 nan 0.000 0.445 302 G N -0.756 108.034 108.800 -0.017 0.000 2.543 302 G HA2 0.290 4.250 3.960 -0.000 0.000 0.267 302 G HA3 0.290 4.250 3.960 -0.000 0.000 0.267 302 G C -1.096 173.806 174.900 0.004 0.000 1.406 302 G CA -0.330 44.770 45.100 -0.001 0.000 1.048 302 G HN 0.324 nan 8.290 nan 0.000 0.548 303 S N -0.849 114.862 115.700 0.019 0.000 2.614 303 S HA 0.410 4.880 4.470 -0.000 0.000 0.259 303 S C -1.037 173.572 174.600 0.014 0.000 1.118 303 S CA -0.712 57.495 58.200 0.011 0.000 1.065 303 S CB 0.123 63.333 63.200 0.017 0.000 1.121 303 S HN 0.461 nan 8.310 nan 0.000 0.458 304 I N 4.340 124.901 120.570 -0.015 0.000 2.330 304 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 304 I C 0.060 176.125 176.117 -0.086 0.000 1.001 304 I CA -0.592 60.681 61.300 -0.045 0.000 1.193 304 I CB 1.825 39.791 38.000 -0.057 0.000 1.345 304 I HN 0.461 nan 8.210 nan 0.000 0.461 305 T N 4.345 118.828 114.554 -0.118 0.000 2.739 305 T HA 0.189 4.539 4.350 -0.000 0.000 0.298 305 T C 0.390 174.904 174.700 -0.310 0.000 0.929 305 T CA -0.466 61.525 62.100 -0.181 0.000 1.014 305 T CB 0.333 69.101 68.868 -0.166 0.000 0.914 305 T HN 0.714 nan 8.240 nan 0.000 0.509 306 S N 2.596 118.120 115.700 -0.292 0.000 2.541 306 S HA 0.647 5.117 4.470 -0.000 0.000 0.283 306 S C -0.432 173.916 174.600 -0.419 0.000 1.196 306 S CA -0.709 57.276 58.200 -0.358 0.000 1.062 306 S CB 1.128 64.177 63.200 -0.251 0.000 1.009 306 S HN 0.379 nan 8.310 nan 0.000 0.502 307 V N 4.290 123.905 119.914 -0.498 0.000 2.398 307 V HA 0.372 4.492 4.120 -0.000 0.000 0.282 307 V C -0.764 175.175 176.094 -0.258 0.000 1.014 307 V CA -0.544 61.521 62.300 -0.393 0.000 0.838 307 V CB 1.107 32.709 31.823 -0.369 0.000 1.018 307 V HN 0.976 nan 8.190 nan 0.000 0.432 308 Q N 3.458 123.108 119.800 -0.249 0.000 2.333 308 Q HA 0.770 5.110 4.340 -0.000 0.000 0.265 308 Q C -0.069 175.802 176.000 -0.215 0.000 0.989 308 Q CA -0.550 55.117 55.803 -0.226 0.000 0.842 308 Q CB 2.575 31.166 28.738 -0.246 0.000 1.262 308 Q HN 0.775 nan 8.270 nan 0.000 0.451 309 A N 4.194 126.929 122.820 -0.141 0.000 2.409 309 A HA 0.500 4.820 4.320 -0.000 0.000 0.262 309 A C -0.261 177.254 177.584 -0.115 0.000 1.113 309 A CA -0.304 51.670 52.037 -0.104 0.000 0.790 309 A CB 0.068 19.064 19.000 -0.007 0.000 1.046 309 A HN 0.765 nan 8.150 nan 0.000 0.496 310 I N 2.896 123.357 120.570 -0.182 0.000 2.411 310 I HA 0.198 4.368 4.170 -0.000 0.000 0.284 310 I C -0.653 175.472 176.117 0.014 0.000 1.012 310 I CA -0.549 60.666 61.300 -0.142 0.000 1.119 310 I CB 1.187 38.852 38.000 -0.557 0.000 1.261 310 I HN 0.765 nan 8.210 nan 0.000 0.448 311 Y N 7.134 127.416 120.300 -0.030 0.000 2.336 311 Y HA 0.451 5.001 4.550 0.000 0.000 0.331 311 Y C -0.494 175.245 175.900 -0.267 0.000 1.211 311 Y CA -0.132 57.858 58.100 -0.184 0.000 1.346 311 Y CB 1.118 39.376 38.460 -0.337 0.000 1.271 311 Y HN 0.288 nan 8.280 nan 0.000 0.538 312 V N 7.938 127.339 119.914 -0.855 0.000 2.376 312 V HA 0.328 4.448 4.120 -0.000 0.000 0.287 312 V C -2.406 173.208 176.094 -0.800 0.000 1.015 312 V CA -2.128 59.834 62.300 -0.562 0.000 0.834 312 V CB 1.136 32.817 31.823 -0.237 0.000 1.001 312 V HN 0.707 nan 8.190 nan 0.000 0.428 313 P HA 0.257 nan 4.420 nan 0.000 0.271 313 P C 0.536 177.765 177.300 -0.117 0.000 1.220 313 P CA 0.382 63.366 63.100 -0.193 0.000 0.768 313 P CB 0.939 32.693 31.700 0.090 0.000 0.848 314 A N 3.544 126.319 122.820 -0.076 0.000 2.799 314 A HA -0.256 4.064 4.320 -0.000 0.000 0.287 314 A C 0.769 178.312 177.584 -0.070 0.000 1.484 314 A CA 1.214 53.227 52.037 -0.041 0.000 0.813 314 A CB -2.672 16.326 19.000 -0.004 0.000 1.009 314 A HN 0.621 nan 8.150 nan 0.000 0.545 315 D N -1.695 118.624 120.400 -0.136 0.000 2.983 315 D HA -0.177 4.463 4.640 -0.000 0.000 0.225 315 D C -0.181 176.079 176.300 -0.066 0.000 1.174 315 D CA 2.021 55.955 54.000 -0.111 0.000 0.831 315 D CB -1.104 39.654 40.800 -0.071 0.000 1.104 315 D HN 0.892 nan 8.370 nan 0.000 0.421 316 D N 0.353 120.722 120.400 -0.051 0.000 2.453 316 D HA 0.155 4.795 4.640 -0.000 0.000 0.223 316 D C 1.353 177.664 176.300 0.017 0.000 1.183 316 D CA -0.303 53.693 54.000 -0.008 0.000 0.933 316 D CB 0.088 40.899 40.800 0.018 0.000 1.038 316 D HN 0.194 nan 8.370 nan 0.000 0.513 317 L N 2.685 123.913 121.223 0.008 0.000 2.633 317 L HA -0.080 4.260 4.340 -0.000 0.000 0.235 317 L C 1.880 178.787 176.870 0.062 0.000 1.163 317 L CA 1.064 55.925 54.840 0.035 0.000 0.859 317 L CB -0.266 41.789 42.059 -0.006 0.000 0.973 317 L HN 0.456 nan 8.230 nan 0.000 0.451 318 T N -5.886 108.699 114.554 0.053 0.000 3.023 318 T HA -0.010 4.340 4.350 -0.000 0.000 0.253 318 T C 0.744 175.511 174.700 0.112 0.000 1.038 318 T CA -0.491 61.645 62.100 0.061 0.000 0.962 318 T CB -0.014 68.871 68.868 0.028 0.000 1.018 318 T HN 0.127 nan 8.240 nan 0.000 0.521 319 D N 3.217 123.700 120.400 0.138 0.000 2.531 319 D HA 0.017 4.657 4.640 -0.000 0.000 0.239 319 D C -1.313 175.140 176.300 0.254 0.000 1.144 319 D CA -1.135 52.998 54.000 0.222 0.000 0.869 319 D CB 1.419 42.371 40.800 0.254 0.000 1.160 319 D HN 0.029 nan 8.370 nan 0.000 0.484 320 P HA -0.309 nan 4.420 nan 0.000 0.222 320 P C 0.987 178.327 177.300 0.066 0.000 1.159 320 P CA 2.615 65.809 63.100 0.157 0.000 0.920 320 P CB 0.009 31.813 31.700 0.173 0.000 0.793 321 A N -0.349 122.476 122.820 0.008 0.000 1.848 321 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 321 A C 0.064 177.779 177.584 0.218 0.000 1.220 321 A CA 3.182 55.252 52.037 0.056 0.000 0.645 321 A CB -2.424 16.764 19.000 0.314 0.000 0.842 321 A HN 0.210 nan 8.150 nan 0.000 0.451 322 P HA -0.126 nan 4.420 nan 0.000 0.215 322 P C 1.739 179.237 177.300 0.330 0.000 1.153 322 P CA 2.086 65.391 63.100 0.342 0.000 0.853 322 P CB -0.238 31.634 31.700 0.287 0.000 0.788 323 A N -0.949 122.053 122.820 0.304 0.000 1.892 323 A HA -0.247 4.073 4.320 -0.000 0.000 0.218 323 A C 2.336 180.117 177.584 0.329 0.000 1.188 323 A CA 2.736 54.965 52.037 0.320 0.000 0.631 323 A CB -1.950 17.160 19.000 0.183 0.000 0.822 323 A HN 0.169 nan 8.150 nan 0.000 0.447 324 T N -0.732 113.960 114.554 0.229 0.000 2.737 324 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 324 T C 2.013 176.885 174.700 0.288 0.000 1.038 324 T CA 1.801 64.026 62.100 0.208 0.000 1.144 324 T CB -0.522 68.419 68.868 0.121 0.000 0.866 324 T HN 0.550 nan 8.240 nan 0.000 0.434 325 T N 1.638 116.337 114.554 0.242 0.000 2.760 325 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 325 T C 1.494 176.379 174.700 0.308 0.000 1.047 325 T CA 1.084 63.305 62.100 0.202 0.000 1.139 325 T CB -0.582 68.349 68.868 0.105 0.000 0.855 325 T HN 0.341 nan 8.240 nan 0.000 0.471 326 F N 1.506 121.650 119.950 0.325 0.000 2.161 326 F HA -0.114 4.413 4.527 -0.000 0.000 0.300 326 F C 2.607 178.523 175.800 0.193 0.000 1.089 326 F CA 0.882 59.044 58.000 0.271 0.000 1.282 326 F CB -0.595 38.458 39.000 0.088 0.000 1.010 326 F HN 0.137 nan 8.300 nan 0.000 0.485 327 A N -0.937 122.099 122.820 0.360 0.000 1.997 327 A HA -0.259 4.061 4.320 -0.000 0.000 0.221 327 A C 1.697 179.312 177.584 0.051 0.000 1.172 327 A CA 1.974 54.104 52.037 0.155 0.000 0.645 327 A CB -1.050 17.991 19.000 0.069 0.000 0.813 327 A HN 0.540 nan 8.150 nan 0.000 0.454 328 H N -1.610 117.524 119.070 0.108 0.000 2.526 328 H HA 0.371 4.927 4.556 -0.000 0.000 0.274 328 H C -0.186 175.162 175.328 0.033 0.000 0.999 328 H CA 0.047 56.126 56.048 0.052 0.000 1.157 328 H CB 0.007 29.781 29.762 0.020 0.000 1.407 328 H HN 0.351 nan 8.280 nan 0.000 0.568 329 L N -0.244 121.073 121.223 0.157 0.000 2.303 329 L HA 0.256 4.596 4.340 -0.000 0.000 0.266 329 L C 0.627 177.554 176.870 0.096 0.000 1.011 329 L CA -0.635 54.268 54.840 0.105 0.000 0.818 329 L CB 1.886 44.016 42.059 0.118 0.000 1.326 329 L HN -0.094 nan 8.230 nan 0.000 0.435 330 D N 0.141 120.582 120.400 0.069 0.000 2.455 330 D HA 0.252 4.892 4.640 -0.000 0.000 0.228 330 D C 0.055 176.416 176.300 0.102 0.000 1.070 330 D CA 0.474 54.516 54.000 0.070 0.000 0.881 330 D CB 1.423 42.247 40.800 0.040 0.000 1.087 330 D HN 0.501 nan 8.370 nan 0.000 0.498 331 A N 0.784 123.676 122.820 0.120 0.000 2.422 331 A HA 0.608 4.928 4.320 -0.000 0.000 0.302 331 A C -0.429 177.282 177.584 0.211 0.000 1.041 331 A CA -0.518 51.635 52.037 0.193 0.000 0.708 331 A CB 1.561 20.744 19.000 0.305 0.000 1.257 331 A HN -0.022 nan 8.150 nan 0.000 0.414 332 T N -0.835 113.877 114.554 0.264 0.000 2.861 332 T HA 0.750 5.100 4.350 -0.000 0.000 0.287 332 T C -0.517 174.375 174.700 0.321 0.000 1.003 332 T CA -0.560 61.731 62.100 0.318 0.000 0.977 332 T CB 1.596 70.739 68.868 0.457 0.000 0.996 332 T HN 0.488 nan 8.240 nan 0.000 0.448 333 T N 2.606 117.355 114.554 0.326 0.000 2.815 333 T HA 0.569 4.919 4.350 -0.000 0.000 0.289 333 T C -0.309 174.575 174.700 0.306 0.000 1.000 333 T CA -0.592 61.677 62.100 0.282 0.000 0.958 333 T CB 1.057 70.096 68.868 0.285 0.000 0.944 333 T HN 0.685 nan 8.240 nan 0.000 0.442 334 V N 5.040 125.110 119.914 0.259 0.000 2.435 334 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 334 V C -0.180 176.005 176.094 0.152 0.000 1.030 334 V CA -0.957 61.493 62.300 0.249 0.000 0.881 334 V CB 1.375 33.311 31.823 0.189 0.000 0.983 334 V HN 0.734 nan 8.190 nan 0.000 0.445 335 L N 4.329 125.636 121.223 0.140 0.000 2.307 335 L HA 0.648 4.988 4.340 -0.000 0.000 0.284 335 L C 0.327 177.221 176.870 0.039 0.000 1.023 335 L CA -0.207 54.682 54.840 0.082 0.000 0.810 335 L CB 1.992 44.106 42.059 0.093 0.000 1.231 335 L HN 0.820 nan 8.230 nan 0.000 0.423 336 S N 2.701 118.402 115.700 0.002 0.000 2.454 336 S HA 0.380 4.850 4.470 -0.000 0.000 0.306 336 S C 0.735 175.308 174.600 -0.043 0.000 1.100 336 S CA -0.834 57.354 58.200 -0.021 0.000 1.087 336 S CB 2.146 65.329 63.200 -0.028 0.000 1.019 336 S HN 0.738 nan 8.310 nan 0.000 0.480 337 R N 2.314 122.791 120.500 -0.038 0.000 2.091 337 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 337 R C 2.331 178.596 176.300 -0.059 0.000 1.136 337 R CA 1.747 57.821 56.100 -0.043 0.000 0.959 337 R CB -1.013 29.269 30.300 -0.030 0.000 0.856 337 R HN 0.909 nan 8.270 nan 0.000 0.437 338 A N 1.109 123.897 122.820 -0.053 0.000 1.903 338 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 338 A C 2.139 179.680 177.584 -0.071 0.000 1.191 338 A CA 1.881 53.885 52.037 -0.054 0.000 0.638 338 A CB -0.612 18.358 19.000 -0.049 0.000 0.823 338 A HN 0.394 nan 8.150 nan 0.000 0.451 339 I N -0.831 119.688 120.570 -0.085 0.000 2.162 339 I HA -0.218 3.952 4.170 -0.000 0.000 0.238 339 I C 3.035 179.034 176.117 -0.198 0.000 1.076 339 I CA 0.958 62.192 61.300 -0.110 0.000 1.353 339 I CB -0.533 37.408 38.000 -0.098 0.000 1.063 339 I HN 0.369 nan 8.210 nan 0.000 0.408 340 A N 0.465 123.120 122.820 -0.274 0.000 1.958 340 A HA -0.279 4.041 4.320 -0.000 0.000 0.221 340 A C 2.122 179.534 177.584 -0.286 0.000 1.178 340 A CA 1.949 53.682 52.037 -0.506 0.000 0.642 340 A CB -0.757 18.025 19.000 -0.364 0.000 0.816 340 A HN 0.488 nan 8.150 nan 0.000 0.453 341 E N -0.703 119.419 120.200 -0.130 0.000 2.409 341 E HA -0.048 4.302 4.350 -0.000 0.000 0.198 341 E C 0.686 177.257 176.600 -0.048 0.000 1.024 341 E CA 0.442 56.809 56.400 -0.054 0.000 0.861 341 E CB -0.170 29.509 29.700 -0.034 0.000 0.788 341 E HN 0.662 nan 8.360 nan 0.000 0.521 342 L N -0.391 120.786 121.223 -0.077 0.000 2.791 342 L HA 0.260 4.600 4.340 -0.000 0.000 0.239 342 L C 1.205 178.052 176.870 -0.039 0.000 1.203 342 L CA -0.048 54.761 54.840 -0.051 0.000 1.002 342 L CB 0.110 42.142 42.059 -0.044 0.000 1.295 342 L HN 0.128 nan 8.230 nan 0.000 0.504 343 G N 0.803 109.585 108.800 -0.030 0.000 2.200 343 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.267 343 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.267 343 G C 0.459 175.458 174.900 0.165 0.000 0.993 343 G CA -0.071 45.096 45.100 0.111 0.000 0.701 343 G HN 0.306 nan 8.290 nan 0.000 0.524 344 I N 1.278 121.824 120.570 -0.040 0.000 2.278 344 I HA 0.266 4.436 4.170 -0.000 0.000 0.300 344 I C 0.213 176.198 176.117 -0.219 0.000 1.174 344 I CA -0.356 60.946 61.300 0.003 0.000 1.347 344 I CB -1.057 36.941 38.000 -0.003 0.000 1.473 344 I HN 0.076 nan 8.210 nan 0.000 0.595 345 Y N 7.018 127.317 120.300 -0.001 0.000 2.387 345 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 345 Y C -1.772 173.973 175.900 -0.257 0.000 1.133 345 Y CA -2.425 55.596 58.100 -0.131 0.000 1.152 345 Y CB 1.014 39.378 38.460 -0.159 0.000 1.215 345 Y HN 0.373 nan 8.280 nan 0.000 0.466 346 P HA 0.076 nan 4.420 nan 0.000 0.275 346 P C -0.655 176.623 177.300 -0.037 0.000 1.228 346 P CA -0.287 62.759 63.100 -0.091 0.000 0.786 346 P CB 1.044 32.684 31.700 -0.100 0.000 0.927 347 A N 3.488 126.288 122.820 -0.034 0.000 2.900 347 A HA 0.190 4.510 4.320 -0.000 0.000 0.246 347 A C 0.459 178.031 177.584 -0.021 0.000 1.725 347 A CA -0.162 51.808 52.037 -0.111 0.000 1.400 347 A CB -1.347 17.561 19.000 -0.154 0.000 0.973 347 A HN 0.375 nan 8.150 nan 0.000 0.635 348 V N 1.292 121.209 119.914 0.005 0.000 2.461 348 V HA 0.078 4.198 4.120 -0.000 0.000 0.275 348 V C 0.243 176.347 176.094 0.018 0.000 1.047 348 V CA -0.592 61.730 62.300 0.037 0.000 0.955 348 V CB 1.298 33.153 31.823 0.054 0.000 0.988 348 V HN 0.596 nan 8.190 nan 0.000 0.471 349 D N 7.418 127.834 120.400 0.027 0.000 2.346 349 D HA 0.182 4.822 4.640 -0.000 0.000 0.260 349 D C -1.641 174.665 176.300 0.010 0.000 1.252 349 D CA -1.885 52.122 54.000 0.012 0.000 0.895 349 D CB 1.840 42.648 40.800 0.014 0.000 1.097 349 D HN 0.247 nan 8.370 nan 0.000 0.489 350 P HA 0.015 nan 4.420 nan 0.000 0.226 350 P C 0.762 178.047 177.300 -0.025 0.000 1.153 350 P CA 0.709 63.796 63.100 -0.021 0.000 0.777 350 P CB 0.293 31.975 31.700 -0.029 0.000 0.794 351 L N -1.446 119.765 121.223 -0.020 0.000 2.872 351 L HA 0.264 4.604 4.340 -0.000 0.000 0.245 351 L C 0.900 177.755 176.870 -0.026 0.000 1.211 351 L CA 0.367 55.190 54.840 -0.028 0.000 1.013 351 L CB 0.109 42.149 42.059 -0.032 0.000 1.326 351 L HN -0.088 nan 8.230 nan 0.000 0.525 352 D N -1.341 119.054 120.400 -0.008 0.000 2.410 352 D HA 0.051 4.691 4.640 -0.000 0.000 0.275 352 D C 0.371 176.699 176.300 0.046 0.000 1.152 352 D CA 0.246 54.243 54.000 -0.005 0.000 0.825 352 D CB 0.871 41.663 40.800 -0.013 0.000 1.312 352 D HN -0.100 nan 8.370 nan 0.000 0.532 353 S N 0.215 115.952 115.700 0.062 0.000 2.537 353 S HA 0.609 5.079 4.470 -0.000 0.000 0.275 353 S C 0.058 174.705 174.600 0.078 0.000 1.272 353 S CA -0.267 57.997 58.200 0.108 0.000 1.050 353 S CB 1.448 64.709 63.200 0.103 0.000 0.961 353 S HN 0.345 nan 8.310 nan 0.000 0.496 354 T N -0.465 114.159 114.554 0.116 0.000 2.883 354 T HA 0.740 5.090 4.350 -0.000 0.000 0.301 354 T C -0.718 174.049 174.700 0.111 0.000 1.158 354 T CA -0.818 61.333 62.100 0.086 0.000 1.007 354 T CB 1.813 70.727 68.868 0.077 0.000 1.186 354 T HN 0.372 nan 8.240 nan 0.000 0.499 355 S N -0.496 115.252 115.700 0.080 0.000 2.538 355 S HA 0.455 4.925 4.470 -0.000 0.000 0.288 355 S C 0.260 174.902 174.600 0.071 0.000 1.108 355 S CA -0.878 57.377 58.200 0.091 0.000 0.971 355 S CB 1.423 64.674 63.200 0.085 0.000 1.041 355 S HN 0.726 nan 8.310 nan 0.000 0.483 356 R N 2.772 123.315 120.500 0.073 0.000 2.526 356 R HA 0.225 4.564 4.340 -0.000 0.000 0.223 356 R C 1.084 177.410 176.300 0.044 0.000 1.250 356 R CA 0.635 56.769 56.100 0.056 0.000 1.227 356 R CB -0.598 29.733 30.300 0.052 0.000 1.109 356 R HN 0.691 nan 8.270 nan 0.000 0.499 357 I N -4.197 116.399 120.570 0.044 0.000 4.453 357 I HA 0.255 4.425 4.170 -0.000 0.000 0.342 357 I C -0.266 175.864 176.117 0.022 0.000 1.341 357 I CA -0.578 60.741 61.300 0.031 0.000 1.217 357 I CB 0.524 38.544 38.000 0.034 0.000 1.545 357 I HN -0.033 nan 8.210 nan 0.000 0.557 358 M N 3.297 122.919 119.600 0.036 0.000 2.685 358 M HA 0.347 4.827 4.480 -0.000 0.000 0.316 358 M C -1.126 175.291 176.300 0.194 0.000 1.523 358 M CA 0.372 55.710 55.300 0.064 0.000 1.472 358 M CB -1.231 31.388 32.600 0.031 0.000 1.525 358 M HN 0.376 nan 8.290 nan 0.000 0.471 359 D N 5.234 125.702 120.400 0.113 0.000 2.804 359 D HA 0.340 4.980 4.640 -0.000 0.000 0.209 359 D C -2.583 173.627 176.300 -0.150 0.000 1.314 359 D CA -1.136 52.808 54.000 -0.092 0.000 0.894 359 D CB 1.904 42.671 40.800 -0.056 0.000 1.615 359 D HN 0.154 nan 8.370 nan 0.000 0.571 360 P HA -0.086 nan 4.420 nan 0.000 0.216 360 P C 0.926 178.176 177.300 -0.084 0.000 1.150 360 P CA 0.859 63.847 63.100 -0.188 0.000 0.837 360 P CB 0.277 31.802 31.700 -0.293 0.000 0.786 361 N N -0.692 117.945 118.700 -0.104 0.000 2.430 361 N HA -0.093 4.647 4.740 -0.000 0.000 0.186 361 N C 1.544 177.041 175.510 -0.022 0.000 1.032 361 N CA 1.064 54.083 53.050 -0.053 0.000 0.893 361 N CB -0.398 38.055 38.487 -0.058 0.000 0.957 361 N HN 0.315 nan 8.380 nan 0.000 0.442 362 I N -0.559 120.000 120.570 -0.019 0.000 3.790 362 I HA -0.003 4.167 4.170 -0.000 0.000 0.305 362 I C 1.558 177.697 176.117 0.036 0.000 1.253 362 I CA 0.391 61.696 61.300 0.008 0.000 1.355 362 I CB 0.344 38.347 38.000 0.006 0.000 1.137 362 I HN -0.076 nan 8.210 nan 0.000 0.435 363 V N -1.947 117.993 119.914 0.043 0.000 3.477 363 V HA 0.584 4.704 4.120 -0.000 0.000 0.297 363 V C 0.735 176.928 176.094 0.166 0.000 1.433 363 V CA 0.135 62.502 62.300 0.111 0.000 1.052 363 V CB -0.153 31.663 31.823 -0.011 0.000 0.895 363 V HN 0.387 nan 8.190 nan 0.000 0.438 364 G N 1.990 110.851 108.800 0.101 0.000 3.445 364 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.680 364 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.680 364 G C 0.225 175.208 174.900 0.139 0.000 0.972 364 G CA 0.243 45.404 45.100 0.101 0.000 0.798 364 G HN 1.698 nan 8.290 nan 0.000 0.461 365 S N 0.436 116.195 115.700 0.098 0.000 3.079 365 S HA 0.029 4.499 4.470 -0.000 0.000 0.245 365 S C 1.200 175.892 174.600 0.153 0.000 1.013 365 S CA 1.314 59.596 58.200 0.136 0.000 1.117 365 S CB 0.329 63.571 63.200 0.070 0.000 0.851 365 S HN 0.878 nan 8.310 nan 0.000 0.523 366 E N 0.408 120.703 120.200 0.158 0.000 2.206 366 E HA -0.056 4.294 4.350 -0.000 0.000 0.195 366 E C 1.757 178.474 176.600 0.196 0.000 0.935 366 E CA 0.046 56.532 56.400 0.145 0.000 0.875 366 E CB -0.176 29.588 29.700 0.107 0.000 0.841 366 E HN 0.854 nan 8.360 nan 0.000 0.477 367 H N -0.897 118.232 119.070 0.098 0.000 2.267 367 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 367 H C 2.022 177.408 175.328 0.097 0.000 1.080 367 H CA 1.765 57.865 56.048 0.088 0.000 1.278 367 H CB -0.075 29.740 29.762 0.087 0.000 1.365 367 H HN 0.217 nan 8.280 nan 0.000 0.489 368 Y N 1.222 121.579 120.300 0.096 0.000 2.403 368 Y HA -0.189 4.361 4.550 -0.000 0.000 0.291 368 Y C 1.454 177.370 175.900 0.028 0.000 1.143 368 Y CA 1.646 59.743 58.100 -0.006 0.000 1.257 368 Y CB 0.004 38.453 38.460 -0.020 0.000 0.984 368 Y HN 0.348 nan 8.280 nan 0.000 0.550 369 D N -1.294 119.204 120.400 0.162 0.000 2.216 369 D HA -0.089 4.551 4.640 -0.000 0.000 0.208 369 D C 2.277 178.595 176.300 0.030 0.000 0.960 369 D CA 1.140 55.194 54.000 0.091 0.000 0.861 369 D CB -0.171 40.708 40.800 0.131 0.000 0.985 369 D HN 0.236 nan 8.370 nan 0.000 0.493 370 V N 1.235 121.190 119.914 0.067 0.000 2.453 370 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 370 V C 2.349 178.437 176.094 -0.010 0.000 1.048 370 V CA 1.476 63.815 62.300 0.065 0.000 1.049 370 V CB -0.748 31.149 31.823 0.124 0.000 0.672 370 V HN 0.152 nan 8.190 nan 0.000 0.457 371 A N 0.893 123.692 122.820 -0.036 0.000 1.836 371 A HA -0.250 4.070 4.320 -0.000 0.000 0.215 371 A C 2.241 179.713 177.584 -0.187 0.000 1.214 371 A CA 1.962 53.916 52.037 -0.138 0.000 0.636 371 A CB -0.689 18.199 19.000 -0.186 0.000 0.847 371 A HN 0.396 nan 8.150 nan 0.000 0.451 372 R N -0.089 120.239 120.500 -0.287 0.000 2.316 372 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 372 R C 2.048 178.273 176.300 -0.125 0.000 1.137 372 R CA 1.074 57.023 56.100 -0.251 0.000 1.012 372 R CB -1.369 28.714 30.300 -0.362 0.000 0.859 372 R HN 0.631 nan 8.270 nan 0.000 0.474 373 G N -0.003 108.747 108.800 -0.083 0.000 2.396 373 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.214 373 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.214 373 G C 1.558 176.448 174.900 -0.017 0.000 1.166 373 G CA 0.211 45.296 45.100 -0.026 0.000 0.793 373 G HN 0.127 nan 8.290 nan 0.000 0.533 374 V N 0.565 120.455 119.914 -0.039 0.000 2.237 374 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 374 V C 2.814 178.876 176.094 -0.054 0.000 1.046 374 V CA 2.298 64.569 62.300 -0.048 0.000 1.007 374 V CB -0.653 31.069 31.823 -0.170 0.000 0.638 374 V HN 0.383 nan 8.190 nan 0.000 0.445 375 Q N -0.751 118.996 119.800 -0.090 0.000 2.308 375 Q HA -0.275 4.065 4.340 -0.000 0.000 0.209 375 Q C 2.268 178.243 176.000 -0.042 0.000 0.985 375 Q CA 1.845 57.603 55.803 -0.074 0.000 0.881 375 Q CB -0.094 28.582 28.738 -0.104 0.000 0.917 375 Q HN 0.574 nan 8.270 nan 0.000 0.443 376 K N 0.359 120.739 120.400 -0.033 0.000 2.020 376 K HA -0.051 4.269 4.320 -0.000 0.000 0.206 376 K C 1.997 178.604 176.600 0.013 0.000 1.038 376 K CA 0.603 56.883 56.287 -0.012 0.000 0.947 376 K CB -0.178 32.315 32.500 -0.012 0.000 0.744 376 K HN 0.196 nan 8.250 nan 0.000 0.442 377 I N 1.730 122.312 120.570 0.020 0.000 2.194 377 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 377 I C 2.070 178.230 176.117 0.072 0.000 1.093 377 I CA 1.245 62.568 61.300 0.038 0.000 1.355 377 I CB -0.046 37.973 38.000 0.032 0.000 1.046 377 I HN 0.296 nan 8.210 nan 0.000 0.413 378 L N 0.197 121.460 121.223 0.066 0.000 1.971 378 L HA -0.291 4.048 4.340 -0.000 0.000 0.215 378 L C 2.563 179.490 176.870 0.095 0.000 1.072 378 L CA 1.893 56.796 54.840 0.106 0.000 0.758 378 L CB -0.807 41.288 42.059 0.059 0.000 0.889 378 L HN 0.349 nan 8.230 nan 0.000 0.433 379 Q N -0.280 119.543 119.800 0.037 0.000 2.541 379 Q HA -0.172 4.168 4.340 -0.000 0.000 0.215 379 Q C 1.358 177.372 176.000 0.023 0.000 0.977 379 Q CA 1.207 57.017 55.803 0.012 0.000 0.934 379 Q CB -0.100 28.633 28.738 -0.008 0.000 0.988 379 Q HN 0.408 nan 8.270 nan 0.000 0.521 380 D N -1.455 118.978 120.400 0.056 0.000 2.259 380 D HA -0.094 4.546 4.640 -0.000 0.000 0.216 380 D C 1.201 177.568 176.300 0.112 0.000 0.961 380 D CA 0.456 54.493 54.000 0.062 0.000 0.878 380 D CB -0.211 40.622 40.800 0.056 0.000 1.009 380 D HN 0.273 nan 8.370 nan 0.000 0.490 381 Y N 2.674 122.967 120.300 -0.011 0.000 2.081 381 Y HA -0.226 4.324 4.550 0.000 0.000 0.280 381 Y C 2.181 178.073 175.900 -0.014 0.000 1.163 381 Y CA 1.646 59.739 58.100 -0.012 0.000 1.135 381 Y CB -0.351 38.103 38.460 -0.011 0.000 0.970 381 Y HN -0.178 nan 8.280 nan 0.000 0.498 382 K N -0.628 119.709 120.400 -0.106 0.000 2.211 382 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 382 K C 2.210 178.725 176.600 -0.141 0.000 1.047 382 K CA 1.437 57.594 56.287 -0.216 0.000 0.935 382 K CB -0.142 32.285 32.500 -0.120 0.000 0.728 382 K HN 0.283 nan 8.250 nan 0.000 0.452 383 S N 0.699 116.361 115.700 -0.064 0.000 2.395 383 S HA 0.040 4.510 4.470 -0.000 0.000 0.225 383 S C 1.603 176.182 174.600 -0.036 0.000 1.027 383 S CA 0.589 58.764 58.200 -0.042 0.000 0.965 383 S CB -0.019 63.172 63.200 -0.015 0.000 0.812 383 S HN 0.264 nan 8.310 nan 0.000 0.482 384 L N 1.362 122.577 121.223 -0.013 0.000 2.353 384 L HA -0.093 4.247 4.340 -0.000 0.000 0.220 384 L C 2.447 179.295 176.870 -0.037 0.000 1.133 384 L CA 0.664 55.507 54.840 0.005 0.000 0.798 384 L CB -0.495 41.610 42.059 0.076 0.000 0.922 384 L HN 0.263 nan 8.230 nan 0.000 0.445 385 Q N 0.201 119.928 119.800 -0.121 0.000 2.268 385 Q HA -0.269 4.071 4.340 -0.000 0.000 0.210 385 Q C 1.841 177.787 176.000 -0.090 0.000 0.988 385 Q CA 1.743 57.443 55.803 -0.171 0.000 0.883 385 Q CB -0.125 28.471 28.738 -0.235 0.000 0.911 385 Q HN 0.437 nan 8.270 nan 0.000 0.430 386 D N -1.415 118.948 120.400 -0.062 0.000 2.162 386 D HA -0.059 4.581 4.640 -0.000 0.000 0.205 386 D C 1.440 177.725 176.300 -0.025 0.000 0.964 386 D CA 0.796 54.771 54.000 -0.042 0.000 0.847 386 D CB 0.277 41.055 40.800 -0.037 0.000 0.988 386 D HN 0.246 nan 8.370 nan 0.000 0.480 387 I N 1.183 121.744 120.570 -0.016 0.000 2.546 387 I HA -0.151 4.019 4.170 -0.000 0.000 0.255 387 I C 2.277 178.394 176.117 0.001 0.000 1.163 387 I CA 0.602 61.899 61.300 -0.005 0.000 1.457 387 I CB -0.285 37.715 38.000 0.001 0.000 1.092 387 I HN 0.020 nan 8.210 nan 0.000 0.434 388 I N 0.428 121.001 120.570 0.005 0.000 2.676 388 I HA -0.147 4.023 4.170 -0.000 0.000 0.259 388 I C 2.431 178.552 176.117 0.007 0.000 1.194 388 I CA 0.964 62.274 61.300 0.017 0.000 1.473 388 I CB -0.429 37.595 38.000 0.040 0.000 1.096 388 I HN 0.177 nan 8.210 nan 0.000 0.443 389 A N 0.306 123.122 122.820 -0.007 0.000 2.030 389 A HA 0.061 4.381 4.320 -0.000 0.000 0.215 389 A C 2.197 179.776 177.584 -0.008 0.000 1.164 389 A CA 0.723 52.754 52.037 -0.011 0.000 0.697 389 A CB -0.058 18.928 19.000 -0.023 0.000 0.827 389 A HN 0.256 nan 8.150 nan 0.000 0.457 390 I N -1.159 119.406 120.570 -0.007 0.000 3.172 390 I HA 0.173 4.343 4.170 -0.000 0.000 0.278 390 I C 1.839 177.954 176.117 -0.002 0.000 1.174 390 I CA 0.980 62.277 61.300 -0.006 0.000 1.445 390 I CB -0.102 37.893 38.000 -0.008 0.000 1.175 390 I HN 0.236 nan 8.210 nan 0.000 0.447 391 L N -0.520 120.703 121.223 0.000 0.000 2.537 391 L HA 0.388 4.728 4.340 -0.000 0.000 0.224 391 L C 0.869 177.742 176.870 0.005 0.000 1.065 391 L CA 0.524 55.365 54.840 0.002 0.000 0.860 391 L CB 0.312 42.372 42.059 0.003 0.000 1.086 391 L HN 0.320 nan 8.230 nan 0.000 0.482 392 G N -1.211 107.594 108.800 0.007 0.000 2.541 392 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.686 392 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.686 392 G C 0.125 175.034 174.900 0.015 0.000 1.286 392 G CA -0.360 44.746 45.100 0.011 0.000 0.894 392 G HN -0.217 nan 8.290 nan 0.000 0.575 393 M N 0.232 119.843 119.600 0.018 0.000 2.159 393 M HA -0.053 4.427 4.480 -0.000 0.000 0.263 393 M C 2.107 178.416 176.300 0.015 0.000 1.063 393 M CA 2.277 57.590 55.300 0.021 0.000 1.110 393 M CB -1.239 31.372 32.600 0.018 0.000 1.374 393 M HN 0.668 nan 8.290 nan 0.000 0.411 394 D N 0.190 120.597 120.400 0.011 0.000 2.149 394 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 394 D C 1.596 177.901 176.300 0.009 0.000 0.990 394 D CA 0.996 55.002 54.000 0.008 0.000 0.839 394 D CB -0.266 40.538 40.800 0.006 0.000 0.948 394 D HN 0.329 nan 8.370 nan 0.000 0.460 395 E N 0.322 120.528 120.200 0.009 0.000 2.515 395 E HA 0.011 4.361 4.350 -0.000 0.000 0.201 395 E C 0.711 177.317 176.600 0.010 0.000 1.071 395 E CA -0.060 56.345 56.400 0.008 0.000 0.880 395 E CB -0.119 29.585 29.700 0.007 0.000 0.828 395 E HN 0.391 nan 8.360 nan 0.000 0.540 396 L N 2.332 123.563 121.223 0.013 0.000 2.360 396 L HA 0.018 4.358 4.340 -0.000 0.000 0.276 396 L C 0.934 177.811 176.870 0.012 0.000 1.121 396 L CA -0.312 54.537 54.840 0.016 0.000 0.845 396 L CB 0.605 42.677 42.059 0.022 0.000 1.143 396 L HN 0.028 nan 8.230 nan 0.000 0.452 397 S N 1.795 117.502 115.700 0.011 0.000 2.563 397 S HA -0.096 4.374 4.470 -0.000 0.000 0.269 397 S C 0.977 175.581 174.600 0.008 0.000 1.364 397 S CA -0.261 57.944 58.200 0.009 0.000 1.010 397 S CB 1.006 64.211 63.200 0.009 0.000 0.877 397 S HN 0.692 nan 8.310 nan 0.000 0.549 398 E N 0.820 121.024 120.200 0.006 0.000 2.047 398 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 398 E C 1.985 178.587 176.600 0.003 0.000 0.987 398 E CA 1.949 58.352 56.400 0.004 0.000 0.799 398 E CB -0.637 29.065 29.700 0.004 0.000 0.752 398 E HN 0.883 nan 8.360 nan 0.000 0.449 399 E N -0.091 120.111 120.200 0.005 0.000 2.049 399 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 399 E C 1.445 178.048 176.600 0.004 0.000 1.007 399 E CA 1.737 58.139 56.400 0.005 0.000 0.809 399 E CB -0.143 29.561 29.700 0.007 0.000 0.749 399 E HN 0.219 nan 8.360 nan 0.000 0.450 400 D N 0.091 120.496 120.400 0.009 0.000 2.178 400 D HA -0.114 4.526 4.640 -0.000 0.000 0.202 400 D C 1.792 178.096 176.300 0.007 0.000 0.974 400 D CA 0.680 54.689 54.000 0.015 0.000 0.841 400 D CB -0.034 40.780 40.800 0.024 0.000 0.953 400 D HN 0.151 nan 8.370 nan 0.000 0.478 401 K N 0.414 120.815 120.400 0.002 0.000 2.103 401 K HA -0.147 4.173 4.320 -0.000 0.000 0.207 401 K C 2.205 178.788 176.600 -0.028 0.000 1.048 401 K CA 0.413 56.695 56.287 -0.008 0.000 0.930 401 K CB -0.277 32.220 32.500 -0.005 0.000 0.716 401 K HN 0.231 nan 8.250 nan 0.000 0.444 402 L N 1.050 122.259 121.223 -0.023 0.000 2.007 402 L HA -0.159 4.181 4.340 -0.000 0.000 0.205 402 L C 2.098 178.935 176.870 -0.055 0.000 1.073 402 L CA 1.820 56.639 54.840 -0.034 0.000 0.744 402 L CB -0.852 41.197 42.059 -0.018 0.000 0.898 402 L HN 0.079 nan 8.230 nan 0.000 0.435 403 T N -0.349 114.184 114.554 -0.035 0.000 2.714 403 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 403 T C 1.844 176.483 174.700 -0.101 0.000 1.036 403 T CA 1.750 63.830 62.100 -0.035 0.000 1.148 403 T CB -0.833 68.039 68.868 0.007 0.000 0.856 403 T HN 0.259 nan 8.240 nan 0.000 0.462 404 V N 0.961 120.797 119.914 -0.131 0.000 2.214 404 V HA -0.208 3.912 4.120 -0.000 0.000 0.244 404 V C 2.707 178.582 176.094 -0.364 0.000 1.045 404 V CA 2.164 64.259 62.300 -0.340 0.000 0.993 404 V CB -1.082 30.624 31.823 -0.194 0.000 0.633 404 V HN 0.531 nan 8.190 nan 0.000 0.449 405 S N -0.740 114.831 115.700 -0.216 0.000 2.381 405 S HA -0.296 4.174 4.470 -0.000 0.000 0.230 405 S C 2.157 176.633 174.600 -0.207 0.000 1.052 405 S CA 2.067 60.154 58.200 -0.190 0.000 1.068 405 S CB -0.327 62.805 63.200 -0.114 0.000 0.918 405 S HN 0.465 nan 8.310 nan 0.000 0.448 406 R N 0.662 121.067 120.500 -0.158 0.000 2.070 406 R HA -0.074 4.266 4.340 -0.000 0.000 0.232 406 R C 2.695 178.908 176.300 -0.144 0.000 1.138 406 R CA 1.378 57.401 56.100 -0.128 0.000 0.936 406 R CB -1.143 29.122 30.300 -0.059 0.000 0.839 406 R HN 0.527 nan 8.270 nan 0.000 0.429 407 A N 1.665 124.389 122.820 -0.160 0.000 1.869 407 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 407 A C 2.202 179.675 177.584 -0.185 0.000 1.203 407 A CA 1.807 53.757 52.037 -0.144 0.000 0.638 407 A CB -0.674 18.211 19.000 -0.192 0.000 0.831 407 A HN 0.303 nan 8.150 nan 0.000 0.450 408 R N -0.625 119.657 120.500 -0.362 0.000 2.185 408 R HA -0.187 4.153 4.340 -0.000 0.000 0.247 408 R C 2.229 178.425 176.300 -0.173 0.000 1.159 408 R CA 1.839 57.782 56.100 -0.263 0.000 0.988 408 R CB -0.266 29.854 30.300 -0.301 0.000 0.871 408 R HN 0.583 nan 8.270 nan 0.000 0.458 409 K N 0.341 120.586 120.400 -0.258 0.000 2.007 409 K HA -0.033 4.287 4.320 -0.000 0.000 0.206 409 K C 2.074 178.604 176.600 -0.117 0.000 1.047 409 K CA 1.082 57.115 56.287 -0.425 0.000 0.937 409 K CB -0.072 31.933 32.500 -0.826 0.000 0.718 409 K HN 0.070 nan 8.250 nan 0.000 0.438 410 I N 1.609 122.201 120.570 0.038 0.000 2.113 410 I HA -0.410 3.760 4.170 -0.000 0.000 0.242 410 I C 2.546 178.834 176.117 0.285 0.000 1.064 410 I CA 1.503 62.992 61.300 0.316 0.000 1.320 410 I CB -0.446 37.711 38.000 0.261 0.000 1.028 410 I HN 0.326 nan 8.210 nan 0.000 0.406 411 Q N 0.052 119.941 119.800 0.148 0.000 2.156 411 Q HA -0.303 4.037 4.340 -0.000 0.000 0.211 411 Q C 2.348 178.445 176.000 0.162 0.000 0.995 411 Q CA 1.992 57.876 55.803 0.135 0.000 0.877 411 Q CB -0.219 28.586 28.738 0.113 0.000 0.920 411 Q HN 0.479 nan 8.270 nan 0.000 0.416 412 R N -1.168 119.436 120.500 0.173 0.000 2.189 412 R HA -0.016 4.324 4.340 -0.000 0.000 0.203 412 R C 1.591 178.083 176.300 0.321 0.000 1.012 412 R CA 0.217 56.460 56.100 0.239 0.000 1.015 412 R CB 0.134 30.548 30.300 0.190 0.000 0.938 412 R HN 0.122 nan 8.270 nan 0.000 0.472 413 F N 0.224 120.270 119.950 0.160 0.000 2.797 413 F HA 0.192 4.719 4.527 0.000 0.000 0.302 413 F C 0.786 176.705 175.800 0.199 0.000 1.130 413 F CA 0.358 58.431 58.000 0.121 0.000 1.387 413 F CB 0.273 39.275 39.000 0.003 0.000 1.107 413 F HN -0.096 nan 8.300 nan 0.000 0.577 414 L N -0.247 121.074 121.223 0.163 0.000 2.529 414 L HA 0.109 4.449 4.340 -0.000 0.000 0.223 414 L C 1.403 178.275 176.870 0.004 0.000 1.113 414 L CA 0.244 55.139 54.840 0.091 0.000 0.861 414 L CB -0.605 41.522 42.059 0.113 0.000 1.012 414 L HN 0.099 nan 8.230 nan 0.000 0.461 415 S N 0.190 115.903 115.700 0.023 0.000 2.572 415 S HA 0.276 4.746 4.470 -0.000 0.000 0.279 415 S C -0.243 174.300 174.600 -0.094 0.000 1.341 415 S CA -0.449 57.729 58.200 -0.036 0.000 1.043 415 S CB 1.328 64.514 63.200 -0.023 0.000 0.887 415 S HN 0.306 nan 8.310 nan 0.000 0.516 416 Q N 1.435 121.155 119.800 -0.133 0.000 2.364 416 Q HA 0.351 4.691 4.340 -0.000 0.000 0.251 416 Q C -3.216 172.731 176.000 -0.089 0.000 0.927 416 Q CA -1.758 54.001 55.803 -0.074 0.000 0.924 416 Q CB 2.006 30.766 28.738 0.037 0.000 1.419 416 Q HN 0.470 nan 8.270 nan 0.000 0.427 417 P HA 0.160 nan 4.420 nan 0.000 0.281 417 P C -0.896 176.526 177.300 0.203 0.000 1.286 417 P CA 0.345 63.458 63.100 0.022 0.000 0.772 417 P CB 0.017 31.739 31.700 0.038 0.000 0.862 418 F N 1.334 121.311 119.950 0.044 0.000 2.410 418 F HA 0.112 4.639 4.527 0.000 0.000 0.334 418 F C 2.087 177.910 175.800 0.038 0.000 1.134 418 F CA -0.552 57.475 58.000 0.044 0.000 1.227 418 F CB 0.941 39.975 39.000 0.056 0.000 1.194 418 F HN 0.354 nan 8.300 nan 0.000 0.571 419 Q N 1.125 121.047 119.800 0.203 0.000 2.482 419 Q HA -0.031 4.309 4.340 -0.000 0.000 0.209 419 Q C 1.144 177.192 176.000 0.081 0.000 0.961 419 Q CA 0.340 56.200 55.803 0.096 0.000 0.945 419 Q CB 0.342 29.099 28.738 0.031 0.000 1.012 419 Q HN 0.622 nan 8.270 nan 0.000 0.515 420 V N -0.115 119.878 119.914 0.131 0.000 2.465 420 V HA 0.005 4.125 4.120 -0.000 0.000 0.230 420 V C 1.485 177.652 176.094 0.123 0.000 1.084 420 V CA 1.229 63.596 62.300 0.112 0.000 1.092 420 V CB -0.675 31.233 31.823 0.141 0.000 0.730 420 V HN 0.306 nan 8.190 nan 0.000 0.491 421 A N 0.227 123.174 122.820 0.212 0.000 2.081 421 A HA -0.081 4.239 4.320 -0.000 0.000 0.213 421 A C 1.531 179.177 177.584 0.103 0.000 1.374 421 A CA 0.404 52.587 52.037 0.243 0.000 1.203 421 A CB -1.024 18.194 19.000 0.364 0.000 0.786 421 A HN 0.659 nan 8.150 nan 0.000 0.535 422 E N -0.719 119.510 120.200 0.048 0.000 2.455 422 E HA -0.123 4.227 4.350 -0.000 0.000 0.202 422 E C 1.198 177.760 176.600 -0.064 0.000 1.045 422 E CA 1.051 57.460 56.400 0.015 0.000 0.872 422 E CB -0.094 29.612 29.700 0.011 0.000 0.792 422 E HN 0.609 nan 8.360 nan 0.000 0.542 423 V N -0.528 119.284 119.914 -0.170 0.000 2.795 423 V HA -0.077 4.043 4.120 -0.000 0.000 0.243 423 V C 1.525 177.368 176.094 -0.417 0.000 1.069 423 V CA 1.009 63.094 62.300 -0.358 0.000 1.089 423 V CB -0.270 31.208 31.823 -0.576 0.000 0.756 423 V HN 0.162 nan 8.190 nan 0.000 0.471 424 F N 1.230 121.150 119.950 -0.049 0.000 2.317 424 F HA -0.039 4.488 4.527 -0.000 0.000 0.290 424 F C 2.732 178.490 175.800 -0.070 0.000 1.075 424 F CA 1.338 59.296 58.000 -0.070 0.000 1.380 424 F CB -0.952 37.977 39.000 -0.118 0.000 1.093 424 F HN 0.187 nan 8.300 nan 0.000 0.524 425 T N -2.775 111.844 114.554 0.107 0.000 2.985 425 T HA 0.217 4.567 4.350 -0.000 0.000 0.266 425 T C 2.143 176.798 174.700 -0.075 0.000 1.076 425 T CA 0.878 63.005 62.100 0.046 0.000 1.135 425 T CB -0.527 68.398 68.868 0.095 0.000 0.890 425 T HN 0.487 nan 8.240 nan 0.000 0.480 426 G N 1.333 110.097 108.800 -0.060 0.000 2.562 426 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.241 426 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.241 426 G C 0.187 175.062 174.900 -0.042 0.000 1.120 426 G CA 0.640 45.683 45.100 -0.095 0.000 0.673 426 G HN 0.794 nan 8.290 nan 0.000 0.519 427 H N -0.115 118.962 119.070 0.013 0.000 2.871 427 H HA 0.383 4.939 4.556 -0.000 0.000 0.355 427 H C 0.419 175.753 175.328 0.010 0.000 1.092 427 H CA -0.786 55.267 56.048 0.009 0.000 1.420 427 H CB 0.831 30.593 29.762 0.000 0.000 1.400 427 H HN 0.237 nan 8.280 nan 0.000 0.604 428 L N 2.350 123.667 121.223 0.157 0.000 2.410 428 L HA 0.124 4.464 4.340 -0.000 0.000 0.273 428 L C 0.793 177.705 176.870 0.070 0.000 1.144 428 L CA 0.312 55.200 54.840 0.080 0.000 0.863 428 L CB 0.412 42.501 42.059 0.051 0.000 1.140 428 L HN 0.754 nan 8.230 nan 0.000 0.463 429 G N 5.370 114.212 108.800 0.070 0.000 2.404 429 G HA2 0.100 4.060 3.960 -0.000 0.000 0.289 429 G HA3 0.100 4.060 3.960 -0.000 0.000 0.289 429 G C 0.055 174.996 174.900 0.068 0.000 1.074 429 G CA -0.517 44.635 45.100 0.087 0.000 1.210 429 G HN 0.461 nan 8.290 nan 0.000 0.434 430 K N 1.574 122.020 120.400 0.077 0.000 2.144 430 K HA 0.410 4.730 4.320 -0.000 0.000 0.270 430 K C -0.385 176.257 176.600 0.070 0.000 1.005 430 K CA -0.654 55.668 56.287 0.058 0.000 0.932 430 K CB 2.418 34.941 32.500 0.040 0.000 1.021 430 K HN 0.456 nan 8.250 nan 0.000 0.462 431 L N 1.496 122.744 121.223 0.042 0.000 2.446 431 L HA 0.314 4.654 4.340 -0.000 0.000 0.268 431 L C -1.439 175.448 176.870 0.029 0.000 0.975 431 L CA -0.740 54.120 54.840 0.033 0.000 0.848 431 L CB 1.664 43.729 42.059 0.011 0.000 1.225 431 L HN 0.197 nan 8.230 nan 0.000 0.410 432 V N 6.799 126.733 119.914 0.033 0.000 2.370 432 V HA 0.482 4.602 4.120 -0.000 0.000 0.279 432 V C -1.902 174.208 176.094 0.027 0.000 1.029 432 V CA -1.385 60.934 62.300 0.032 0.000 0.870 432 V CB 1.415 33.257 31.823 0.032 0.000 0.984 432 V HN 0.655 nan 8.190 nan 0.000 0.451 433 P HA 0.097 nan 4.420 nan 0.000 0.275 433 P C 0.753 178.061 177.300 0.014 0.000 1.228 433 P CA -0.396 62.715 63.100 0.019 0.000 0.786 433 P CB 1.424 33.135 31.700 0.019 0.000 0.927 434 L N 3.560 124.782 121.223 -0.001 0.000 2.021 434 L HA -0.244 4.096 4.340 -0.000 0.000 0.215 434 L C 2.132 178.976 176.870 -0.043 0.000 1.074 434 L CA 2.106 56.922 54.840 -0.039 0.000 0.760 434 L CB -1.250 40.776 42.059 -0.056 0.000 0.889 434 L HN 0.338 nan 8.230 nan 0.000 0.433 435 K N 0.034 120.425 120.400 -0.016 0.000 1.980 435 K HA -0.254 4.066 4.320 -0.000 0.000 0.223 435 K C 1.924 178.542 176.600 0.030 0.000 1.052 435 K CA 2.364 58.652 56.287 0.002 0.000 0.974 435 K CB -0.775 31.733 32.500 0.013 0.000 0.734 435 K HN 0.460 nan 8.250 nan 0.000 0.447 436 E N 0.386 120.612 120.200 0.043 0.000 2.265 436 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 436 E C 1.961 178.634 176.600 0.121 0.000 0.996 436 E CA 1.285 57.727 56.400 0.071 0.000 0.832 436 E CB -0.138 29.598 29.700 0.060 0.000 0.756 436 E HN 0.345 nan 8.360 nan 0.000 0.491 437 T N 1.306 115.925 114.554 0.108 0.000 2.564 437 T HA -0.161 4.189 4.350 -0.000 0.000 0.259 437 T C 1.910 176.770 174.700 0.267 0.000 1.087 437 T CA 1.173 63.380 62.100 0.179 0.000 1.184 437 T CB -0.325 68.609 68.868 0.109 0.000 0.864 437 T HN 0.117 nan 8.240 nan 0.000 0.403 438 I N 1.638 122.283 120.570 0.126 0.000 2.185 438 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 438 I C 2.631 178.861 176.117 0.188 0.000 1.088 438 I CA 1.766 63.139 61.300 0.122 0.000 1.347 438 I CB -0.702 37.280 38.000 -0.029 0.000 1.041 438 I HN 0.349 nan 8.210 nan 0.000 0.415 439 K N 1.482 121.967 120.400 0.142 0.000 1.969 439 K HA -0.179 4.141 4.320 -0.000 0.000 0.216 439 K C 2.223 178.923 176.600 0.166 0.000 1.048 439 K CA 2.020 58.385 56.287 0.129 0.000 0.948 439 K CB -0.705 31.848 32.500 0.088 0.000 0.726 439 K HN 0.285 nan 8.250 nan 0.000 0.442 440 G N 0.558 109.455 108.800 0.162 0.000 2.574 440 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.220 440 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.220 440 G C 1.389 176.354 174.900 0.109 0.000 1.173 440 G CA 1.404 46.554 45.100 0.084 0.000 0.772 440 G HN 0.370 nan 8.290 nan 0.000 0.585 441 F N 0.700 120.867 119.950 0.361 0.000 2.069 441 F HA -0.125 4.402 4.527 -0.000 0.000 0.298 441 F C 2.983 178.893 175.800 0.183 0.000 1.113 441 F CA 1.843 60.021 58.000 0.297 0.000 1.214 441 F CB -0.588 38.556 39.000 0.240 0.000 0.978 441 F HN 0.199 nan 8.300 nan 0.000 0.474 442 Q N 0.619 120.611 119.800 0.320 0.000 2.096 442 Q HA -0.312 4.028 4.340 -0.000 0.000 0.208 442 Q C 2.054 178.146 176.000 0.153 0.000 0.993 442 Q CA 2.539 58.460 55.803 0.197 0.000 0.862 442 Q CB -0.299 28.526 28.738 0.145 0.000 0.915 442 Q HN 0.519 nan 8.270 nan 0.000 0.416 443 Q N -0.187 119.701 119.800 0.146 0.000 2.030 443 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 443 Q C 2.265 178.343 176.000 0.130 0.000 0.986 443 Q CA 1.755 57.617 55.803 0.098 0.000 0.843 443 Q CB -0.312 28.508 28.738 0.136 0.000 0.904 443 Q HN 0.478 nan 8.270 nan 0.000 0.420 444 I N 0.804 121.521 120.570 0.245 0.000 2.151 444 I HA -0.323 3.847 4.170 -0.000 0.000 0.243 444 I C 2.359 178.574 176.117 0.163 0.000 1.080 444 I CA 1.202 62.662 61.300 0.267 0.000 1.339 444 I CB -0.288 37.848 38.000 0.227 0.000 1.039 444 I HN 0.243 nan 8.210 nan 0.000 0.409 445 L N 0.432 121.759 121.223 0.173 0.000 2.042 445 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 445 L C 2.407 179.320 176.870 0.073 0.000 1.076 445 L CA 1.436 56.349 54.840 0.122 0.000 0.749 445 L CB -0.461 41.680 42.059 0.138 0.000 0.893 445 L HN 0.259 nan 8.230 nan 0.000 0.432 446 A N -0.358 122.499 122.820 0.061 0.000 2.259 446 A HA 0.253 4.573 4.320 -0.000 0.000 0.208 446 A C 1.384 178.969 177.584 0.001 0.000 1.201 446 A CA 0.538 52.591 52.037 0.026 0.000 0.824 446 A CB -0.790 18.219 19.000 0.016 0.000 0.838 446 A HN 0.509 nan 8.150 nan 0.000 0.485 447 G N 0.155 108.963 108.800 0.013 0.000 2.370 447 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.293 447 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.293 447 G C 0.296 175.162 174.900 -0.056 0.000 0.992 447 G CA 0.597 45.698 45.100 0.001 0.000 1.247 447 G HN 0.679 nan 8.290 nan 0.000 0.505 448 E N -1.192 118.895 120.200 -0.187 0.000 2.385 448 E HA 0.087 4.437 4.350 -0.000 0.000 0.194 448 E C 1.116 177.474 176.600 -0.402 0.000 1.013 448 E CA 0.516 56.693 56.400 -0.372 0.000 0.866 448 E CB 0.204 29.503 29.700 -0.667 0.000 0.832 448 E HN 0.835 nan 8.360 nan 0.000 0.500 449 Y N -0.051 120.250 120.300 0.003 0.000 2.531 449 Y HA 0.074 4.624 4.550 0.000 0.000 0.249 449 Y C 0.648 176.472 175.900 -0.127 0.000 1.168 449 Y CA -0.558 57.459 58.100 -0.138 0.000 1.226 449 Y CB 0.641 39.135 38.460 0.056 0.000 1.177 449 Y HN -0.056 nan 8.280 nan 0.000 0.527 450 D N -0.292 120.154 120.400 0.078 0.000 2.411 450 D HA -0.179 4.461 4.640 -0.000 0.000 0.226 450 D C 1.561 177.920 176.300 0.099 0.000 0.988 450 D CA 1.130 55.168 54.000 0.063 0.000 0.938 450 D CB -0.417 40.414 40.800 0.053 0.000 0.883 450 D HN 0.636 nan 8.370 nan 0.000 0.525 451 H N -1.185 117.951 119.070 0.110 0.000 2.586 451 H HA 0.231 4.787 4.556 0.000 0.000 0.273 451 H C 0.317 175.712 175.328 0.112 0.000 0.997 451 H CA -0.246 55.853 56.048 0.086 0.000 1.177 451 H CB 0.224 30.021 29.762 0.060 0.000 1.471 451 H HN 0.073 nan 8.280 nan 0.000 0.538 452 L N 3.088 124.281 121.223 -0.050 0.000 2.334 452 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 452 L C -2.064 174.883 176.870 0.129 0.000 1.036 452 L CA -2.288 52.579 54.840 0.044 0.000 0.807 452 L CB 1.502 43.572 42.059 0.018 0.000 1.231 452 L HN 0.004 nan 8.230 nan 0.000 0.438 453 P HA 0.065 nan 4.420 nan 0.000 0.270 453 P C 0.101 177.485 177.300 0.140 0.000 1.223 453 P CA -0.225 62.931 63.100 0.094 0.000 0.785 453 P CB 1.034 32.778 31.700 0.073 0.000 0.923 454 E N 0.544 120.774 120.200 0.050 0.000 2.012 454 E HA -0.260 4.090 4.350 -0.000 0.000 0.197 454 E C 2.076 178.770 176.600 0.157 0.000 1.007 454 E CA 1.497 57.902 56.400 0.007 0.000 0.816 454 E CB -0.238 29.439 29.700 -0.038 0.000 0.762 454 E HN 0.575 nan 8.360 nan 0.000 0.451 455 Q N 0.522 120.397 119.800 0.125 0.000 2.156 455 Q HA -0.274 4.066 4.340 -0.000 0.000 0.211 455 Q C 2.161 178.309 176.000 0.248 0.000 0.995 455 Q CA 1.735 57.640 55.803 0.170 0.000 0.877 455 Q CB -0.669 28.133 28.738 0.106 0.000 0.920 455 Q HN 0.225 nan 8.270 nan 0.000 0.416 456 A N 0.684 123.633 122.820 0.215 0.000 2.054 456 A HA -0.184 4.136 4.320 -0.000 0.000 0.223 456 A C 1.336 178.908 177.584 -0.020 0.000 1.169 456 A CA 1.782 53.854 52.037 0.058 0.000 0.655 456 A CB -0.668 18.286 19.000 -0.076 0.000 0.812 456 A HN 0.499 nan 8.150 nan 0.000 0.462 457 F N -3.325 116.601 119.950 -0.040 0.000 2.678 457 F HA 0.253 4.780 4.527 -0.000 0.000 0.305 457 F C 0.573 176.451 175.800 0.130 0.000 1.090 457 F CA -1.341 56.642 58.000 -0.029 0.000 1.272 457 F CB -0.673 38.285 39.000 -0.070 0.000 1.060 457 F HN 0.276 nan 8.300 nan 0.000 0.576 458 Y N 2.305 122.733 120.300 0.213 0.000 2.436 458 Y HA 0.375 4.925 4.550 -0.000 0.000 0.336 458 Y C 0.647 176.604 175.900 0.096 0.000 1.049 458 Y CA -1.208 56.980 58.100 0.148 0.000 1.294 458 Y CB 0.231 38.761 38.460 0.116 0.000 1.179 458 Y HN 0.126 nan 8.280 nan 0.000 0.520 459 M N 6.285 125.588 119.600 -0.495 0.000 2.691 459 M HA -0.152 4.328 4.480 -0.000 0.000 0.185 459 M C -1.401 174.748 176.300 -0.252 0.000 0.998 459 M CA 0.952 55.960 55.300 -0.486 0.000 0.632 459 M CB -2.505 29.670 32.600 -0.709 0.000 1.219 459 M HN 0.534 nan 8.290 nan 0.000 0.829 460 V N -2.969 116.883 119.914 -0.102 0.000 3.165 460 V HA 1.086 5.206 4.120 -0.000 0.000 0.309 460 V C 0.650 176.749 176.094 0.009 0.000 1.267 460 V CA -0.174 62.090 62.300 -0.061 0.000 1.067 460 V CB 1.485 33.288 31.823 -0.033 0.000 1.082 460 V HN 0.440 nan 8.190 nan 0.000 0.451 461 G N 0.001 108.809 108.800 0.013 0.000 3.199 461 G HA2 0.537 4.497 3.960 -0.000 0.000 0.184 461 G HA3 0.537 4.497 3.960 -0.000 0.000 0.184 461 G C -2.440 172.529 174.900 0.114 0.000 1.974 461 G CA -0.316 44.809 45.100 0.041 0.000 0.885 461 G HN 0.692 nan 8.290 nan 0.000 0.575 462 P HA 0.268 nan 4.420 nan 0.000 0.279 462 P C 0.602 177.899 177.300 -0.004 0.000 1.282 462 P CA -0.743 62.412 63.100 0.092 0.000 0.788 462 P CB 0.952 32.669 31.700 0.029 0.000 1.139 463 I N -0.144 120.359 120.570 -0.110 0.000 2.830 463 I HA -0.150 4.020 4.170 -0.000 0.000 0.263 463 I C 1.566 177.438 176.117 -0.409 0.000 1.230 463 I CA 1.372 62.400 61.300 -0.453 0.000 1.480 463 I CB -1.010 36.720 38.000 -0.451 0.000 1.095 463 I HN 0.261 nan 8.210 nan 0.000 0.455 464 E N 0.420 120.492 120.200 -0.212 0.000 2.017 464 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 464 E C 2.084 178.555 176.600 -0.214 0.000 0.997 464 E CA 1.587 57.882 56.400 -0.175 0.000 0.804 464 E CB -0.298 29.348 29.700 -0.091 0.000 0.757 464 E HN 0.471 nan 8.360 nan 0.000 0.448 465 E N 0.206 120.301 120.200 -0.176 0.000 2.219 465 E HA -0.258 4.091 4.350 -0.000 0.000 0.198 465 E C 1.817 178.262 176.600 -0.258 0.000 0.998 465 E CA 0.785 57.084 56.400 -0.168 0.000 0.818 465 E CB -0.134 29.495 29.700 -0.118 0.000 0.741 465 E HN 0.291 nan 8.360 nan 0.000 0.477 466 A N 0.631 123.205 122.820 -0.409 0.000 1.824 466 A HA -0.171 4.149 4.320 -0.000 0.000 0.215 466 A C 2.472 179.686 177.584 -0.618 0.000 1.209 466 A CA 1.680 53.317 52.037 -0.667 0.000 0.614 466 A CB -0.948 17.346 19.000 -1.177 0.000 0.852 466 A HN 0.144 nan 8.150 nan 0.000 0.447 467 V N -0.024 119.502 119.914 -0.646 0.000 2.453 467 V HA -0.250 3.870 4.120 -0.000 0.000 0.252 467 V C 2.861 178.820 176.094 -0.225 0.000 1.068 467 V CA 2.046 64.094 62.300 -0.419 0.000 1.070 467 V CB -1.900 29.779 31.823 -0.241 0.000 0.664 467 V HN 0.626 nan 8.190 nan 0.000 0.461 468 A N 0.464 123.160 122.820 -0.205 0.000 1.858 468 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 468 A C 2.376 179.891 177.584 -0.114 0.000 1.190 468 A CA 2.314 54.275 52.037 -0.127 0.000 0.617 468 A CB -0.598 18.334 19.000 -0.113 0.000 0.827 468 A HN 0.546 nan 8.150 nan 0.000 0.443 469 K N -0.296 120.016 120.400 -0.146 0.000 2.015 469 K HA -0.213 4.107 4.320 -0.000 0.000 0.216 469 K C 2.091 178.643 176.600 -0.081 0.000 1.052 469 K CA 1.731 57.954 56.287 -0.107 0.000 0.937 469 K CB -0.480 31.945 32.500 -0.125 0.000 0.719 469 K HN 0.359 nan 8.250 nan 0.000 0.446 470 A N 1.246 123.996 122.820 -0.118 0.000 2.054 470 A HA -0.268 4.052 4.320 -0.000 0.000 0.223 470 A C 1.523 179.093 177.584 -0.022 0.000 1.169 470 A CA 2.401 54.398 52.037 -0.067 0.000 0.655 470 A CB -0.644 18.296 19.000 -0.101 0.000 0.812 470 A HN 0.525 nan 8.150 nan 0.000 0.462 471 D N -0.909 119.474 120.400 -0.029 0.000 2.110 471 D HA -0.060 4.579 4.640 -0.000 0.000 0.202 471 D C 1.896 178.194 176.300 -0.003 0.000 0.975 471 D CA 1.238 55.233 54.000 -0.007 0.000 0.839 471 D CB -0.320 40.473 40.800 -0.012 0.000 0.996 471 D HN 0.460 nan 8.370 nan 0.000 0.464 472 K N 0.359 120.753 120.400 -0.009 0.000 2.211 472 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 472 K C 1.945 178.550 176.600 0.009 0.000 1.047 472 K CA 0.636 56.923 56.287 -0.000 0.000 0.935 472 K CB -0.082 32.417 32.500 -0.002 0.000 0.728 472 K HN 0.083 nan 8.250 nan 0.000 0.452 473 L N 0.835 122.064 121.223 0.010 0.000 1.988 473 L HA -0.078 4.262 4.340 -0.000 0.000 0.207 473 L C 1.582 178.462 176.870 0.018 0.000 1.071 473 L CA 1.190 56.041 54.840 0.019 0.000 0.744 473 L CB -0.739 41.334 42.059 0.023 0.000 0.893 473 L HN 0.079 nan 8.230 nan 0.000 0.433 474 A N 0.000 122.831 122.820 0.018 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.049 52.037 0.019 0.000 0.836 474 A CB 0.000 19.014 19.000 0.024 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486