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 2xnd_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 0.000 174.802 174.700 0.170 0.000 1.109 9 T CA 0.000 62.175 62.100 0.125 0.000 1.349 9 T CB 0.000 68.939 68.868 0.118 0.000 0.612 10 T N -1.022 113.556 114.554 0.040 0.000 2.913 10 T HA 0.705 5.055 4.350 0.000 0.000 0.287 10 T C 0.520 174.942 174.700 -0.462 0.000 1.008 10 T CA -0.187 61.844 62.100 -0.115 0.000 1.067 10 T CB 0.964 69.764 68.868 -0.112 0.000 0.996 10 T HN 1.412 nan 8.240 nan 0.000 0.513 11 G N 1.381 109.629 108.800 -0.921 0.000 2.617 11 G HA2 0.589 4.549 3.960 0.000 0.000 0.306 11 G HA3 0.589 4.549 3.960 0.000 0.000 0.306 11 G C -0.876 173.600 174.900 -0.707 0.000 1.360 11 G CA -1.104 43.048 45.100 -1.579 0.000 0.983 11 G HN 0.719 nan 8.290 nan 0.000 0.496 12 R N 1.635 121.861 120.500 -0.457 0.000 2.393 12 R HA 0.333 4.673 4.340 0.000 0.000 0.310 12 R C -0.161 176.046 176.300 -0.155 0.000 0.968 12 R CA -0.789 55.170 56.100 -0.234 0.000 0.867 12 R CB 2.268 32.472 30.300 -0.160 0.000 1.124 12 R HN 0.442 nan 8.270 nan 0.000 0.450 13 I N 3.725 124.232 120.570 -0.105 0.000 2.581 13 I HA -0.108 4.062 4.170 0.000 0.000 0.285 13 I C 1.619 177.709 176.117 -0.045 0.000 1.129 13 I CA 0.159 61.425 61.300 -0.058 0.000 1.397 13 I CB 0.780 38.756 38.000 -0.040 0.000 1.399 13 I HN 0.529 nan 8.210 nan 0.000 0.537 14 V N 3.269 123.164 119.914 -0.031 0.000 3.523 14 V HA 0.535 4.655 4.120 0.000 0.000 0.255 14 V C 0.674 176.759 176.094 -0.014 0.000 1.226 14 V CA 0.336 62.622 62.300 -0.023 0.000 1.092 14 V CB -0.088 31.724 31.823 -0.019 0.000 0.817 14 V HN 0.707 nan 8.190 nan 0.000 0.458 15 A N -0.404 122.411 122.820 -0.010 0.000 2.547 15 A HA 0.800 5.120 4.320 0.000 0.000 0.297 15 A C -1.321 176.261 177.584 -0.003 0.000 1.056 15 A CA -0.398 51.636 52.037 -0.005 0.000 0.688 15 A CB 2.296 21.295 19.000 -0.002 0.000 1.282 15 A HN 0.381 nan 8.150 nan 0.000 0.400 16 V N 3.915 123.827 119.914 -0.003 0.000 2.488 16 V HA 0.430 4.550 4.120 0.000 0.000 0.293 16 V C -1.048 175.045 176.094 -0.001 0.000 1.027 16 V CA -0.295 62.004 62.300 -0.002 0.000 0.862 16 V CB 1.307 33.128 31.823 -0.004 0.000 1.008 16 V HN 0.712 nan 8.190 nan 0.000 0.428 17 I N 4.184 124.754 120.570 0.000 0.000 2.410 17 I HA 0.615 4.786 4.170 0.000 0.000 0.286 17 I C 1.042 177.159 176.117 -0.000 0.000 1.009 17 I CA 0.208 61.508 61.300 -0.000 0.000 1.111 17 I CB 0.919 38.920 38.000 0.001 0.000 1.262 17 I HN 0.776 nan 8.210 nan 0.000 0.443 18 G N 5.671 114.471 108.800 -0.001 0.000 2.634 18 G HA2 -0.329 3.631 3.960 0.000 0.000 0.309 18 G HA3 -0.329 3.631 3.960 0.000 0.000 0.309 18 G C 0.780 175.679 174.900 -0.002 0.000 1.265 18 G CA 0.745 45.843 45.100 -0.002 0.000 0.998 18 G HN 0.898 nan 8.290 nan 0.000 0.551 19 A N -0.863 121.955 122.820 -0.003 0.000 2.278 19 A HA 0.575 4.895 4.320 0.000 0.000 0.212 19 A C 0.842 178.425 177.584 -0.001 0.000 1.213 19 A CA 1.293 53.328 52.037 -0.003 0.000 0.840 19 A CB 0.053 19.049 19.000 -0.007 0.000 0.866 19 A HN 1.338 nan 8.150 nan 0.000 0.489 20 V N 1.486 121.400 119.914 -0.000 0.000 2.348 20 V HA 0.317 4.437 4.120 0.000 0.000 0.270 20 V C -0.361 175.736 176.094 0.006 0.000 1.037 20 V CA -0.364 61.937 62.300 0.002 0.000 0.872 20 V CB 1.084 32.908 31.823 0.001 0.000 1.002 20 V HN 0.140 nan 8.190 nan 0.000 0.464 21 V N 3.877 123.797 119.914 0.010 0.000 2.581 21 V HA 0.516 4.636 4.120 0.000 0.000 0.303 21 V C -0.552 175.553 176.094 0.018 0.000 1.041 21 V CA -0.778 61.529 62.300 0.012 0.000 0.907 21 V CB 2.155 33.987 31.823 0.014 0.000 0.994 21 V HN 0.738 nan 8.190 nan 0.000 0.442 22 D N 2.892 123.300 120.400 0.014 0.000 2.349 22 D HA 0.505 5.145 4.640 0.000 0.000 0.232 22 D C -0.669 175.644 176.300 0.022 0.000 1.071 22 D CA -0.012 53.999 54.000 0.019 0.000 0.832 22 D CB 2.052 42.859 40.800 0.010 0.000 1.086 22 D HN 0.290 nan 8.370 nan 0.000 0.504 23 V N 2.347 122.295 119.914 0.056 0.000 2.459 23 V HA 0.343 4.463 4.120 0.000 0.000 0.295 23 V C 0.094 176.256 176.094 0.113 0.000 1.029 23 V CA -0.900 61.440 62.300 0.068 0.000 0.874 23 V CB 2.003 33.931 31.823 0.175 0.000 0.985 23 V HN 0.368 nan 8.190 nan 0.000 0.438 24 Q N 3.144 122.940 119.800 -0.006 0.000 2.347 24 Q HA 0.521 4.861 4.340 0.000 0.000 0.262 24 Q C -1.865 174.097 176.000 -0.063 0.000 0.980 24 Q CA -0.523 55.295 55.803 0.024 0.000 0.867 24 Q CB 1.085 29.811 28.738 -0.019 0.000 1.242 24 Q HN 0.672 nan 8.270 nan 0.000 0.453 25 F N 3.342 123.258 119.950 -0.057 0.000 2.332 25 F HA 0.197 4.725 4.527 0.000 0.000 0.368 25 F C 0.876 176.656 175.800 -0.034 0.000 1.110 25 F CA -0.708 57.265 58.000 -0.046 0.000 1.087 25 F CB 1.275 40.242 39.000 -0.055 0.000 1.235 25 F HN 0.616 nan 8.300 nan 0.000 0.470 26 D N 1.140 121.582 120.400 0.069 0.000 2.144 26 D HA -0.100 4.540 4.640 0.000 0.000 0.199 26 D C 0.481 176.823 176.300 0.070 0.000 0.984 26 D CA 1.431 55.460 54.000 0.048 0.000 0.834 26 D CB 0.384 41.188 40.800 0.007 0.000 0.955 26 D HN 0.424 nan 8.370 nan 0.000 0.465 27 E N -0.280 119.980 120.200 0.100 0.000 2.183 27 E HA 0.418 4.768 4.350 0.000 0.000 0.271 27 E C 0.169 176.845 176.600 0.127 0.000 0.919 27 E CA -0.565 55.891 56.400 0.092 0.000 0.781 27 E CB 1.676 31.418 29.700 0.070 0.000 1.140 27 E HN 0.093 nan 8.360 nan 0.000 0.402 28 G N 3.020 111.862 108.800 0.069 0.000 2.220 28 G HA2 -0.271 3.689 3.960 0.000 0.000 0.248 28 G HA3 -0.271 3.689 3.960 0.000 0.000 0.248 28 G C -0.105 174.780 174.900 -0.025 0.000 0.791 28 G CA 0.009 45.128 45.100 0.031 0.000 1.197 28 G HN 0.334 nan 8.290 nan 0.000 0.336 29 L N 4.913 126.104 121.223 -0.054 0.000 2.462 29 L HA 0.396 4.736 4.340 0.000 0.000 0.272 29 L C -0.865 175.843 176.870 -0.270 0.000 1.166 29 L CA -1.451 53.260 54.840 -0.214 0.000 0.880 29 L CB 0.306 42.289 42.059 -0.127 0.000 1.142 29 L HN 0.382 nan 8.230 nan 0.000 0.473 30 P HA 0.294 nan 4.420 nan 0.000 0.275 30 P C -2.773 174.477 177.300 -0.084 0.000 1.227 30 P CA -1.349 61.539 63.100 -0.352 0.000 0.781 30 P CB 0.304 31.666 31.700 -0.562 0.000 0.906 31 P HA 0.156 nan 4.420 nan 0.000 0.277 31 P C 0.225 177.580 177.300 0.091 0.000 1.276 31 P CA -0.302 62.852 63.100 0.089 0.000 0.788 31 P CB 0.522 32.206 31.700 -0.025 0.000 1.114 32 I N 0.286 120.861 120.570 0.008 0.000 2.754 32 I HA -0.004 4.166 4.170 0.000 0.000 0.285 32 I C 1.897 177.965 176.117 -0.082 0.000 1.166 32 I CA 0.152 61.438 61.300 -0.024 0.000 1.417 32 I CB -0.625 37.332 38.000 -0.071 0.000 1.382 32 I HN 0.538 nan 8.210 nan 0.000 0.588 33 L N 0.978 122.135 121.223 -0.110 0.000 4.982 33 L HA -0.282 4.059 4.340 0.000 0.000 0.402 33 L C 0.403 177.209 176.870 -0.106 0.000 0.863 33 L CA 0.542 55.258 54.840 -0.206 0.000 1.876 33 L CB -1.547 40.276 42.059 -0.392 0.000 1.554 33 L HN 0.667 nan 8.230 nan 0.000 0.603 34 N N 1.060 119.725 118.700 -0.060 0.000 2.454 34 N HA 0.441 5.181 4.740 0.000 0.000 0.254 34 N C 0.257 175.763 175.510 -0.007 0.000 1.228 34 N CA 0.966 53.997 53.050 -0.032 0.000 0.900 34 N CB 0.790 39.248 38.487 -0.049 0.000 1.089 34 N HN 0.308 nan 8.380 nan 0.000 0.449 35 A N 2.940 125.767 122.820 0.012 0.000 2.289 35 A HA 0.504 4.824 4.320 0.000 0.000 0.298 35 A C -0.248 177.353 177.584 0.029 0.000 1.208 35 A CA -0.529 51.525 52.037 0.029 0.000 0.845 35 A CB -0.016 19.007 19.000 0.037 0.000 1.125 35 A HN 0.623 nan 8.150 nan 0.000 0.517 36 L N 1.764 123.013 121.223 0.044 0.000 2.334 36 L HA 0.581 4.921 4.340 0.000 0.000 0.270 36 L C -0.073 176.830 176.870 0.055 0.000 1.018 36 L CA -0.824 54.058 54.840 0.069 0.000 0.811 36 L CB 1.405 43.532 42.059 0.113 0.000 1.271 36 L HN 0.592 nan 8.230 nan 0.000 0.443 37 E N 1.614 121.848 120.200 0.056 0.000 2.199 37 E HA 0.360 4.710 4.350 0.000 0.000 0.265 37 E C -1.160 175.456 176.600 0.026 0.000 0.882 37 E CA -0.603 55.818 56.400 0.034 0.000 0.759 37 E CB 2.825 32.540 29.700 0.024 0.000 1.148 37 E HN 0.186 nan 8.360 nan 0.000 0.412 38 V N 3.813 123.736 119.914 0.016 0.000 2.461 38 V HA 0.081 4.202 4.120 0.000 0.000 0.275 38 V C 0.398 176.491 176.094 -0.003 0.000 1.047 38 V CA -0.704 61.598 62.300 0.004 0.000 0.955 38 V CB 1.060 32.885 31.823 0.002 0.000 0.988 38 V HN 0.479 nan 8.190 nan 0.000 0.471 39 Q N 2.482 122.275 119.800 -0.012 0.000 2.260 39 Q HA 0.496 4.836 4.340 0.000 0.000 0.242 39 Q C 1.119 177.110 176.000 -0.015 0.000 0.932 39 Q CA 0.293 56.087 55.803 -0.014 0.000 0.891 39 Q CB 1.138 29.864 28.738 -0.020 0.000 1.222 39 Q HN 1.161 nan 8.270 nan 0.000 0.453 40 G N 1.389 110.181 108.800 -0.012 0.000 2.137 40 G HA2 -0.197 3.763 3.960 0.000 0.000 0.237 40 G HA3 -0.197 3.763 3.960 0.000 0.000 0.237 40 G C -0.192 174.703 174.900 -0.009 0.000 1.002 40 G CA -0.219 44.874 45.100 -0.012 0.000 0.702 40 G HN 0.325 nan 8.290 nan 0.000 0.515 41 R N -0.444 120.052 120.500 -0.007 0.000 2.740 41 R HA 0.485 4.826 4.340 0.000 0.000 0.282 41 R C 0.959 177.257 176.300 -0.003 0.000 0.969 41 R CA -0.689 55.408 56.100 -0.004 0.000 0.918 41 R CB 1.146 31.444 30.300 -0.002 0.000 1.175 41 R HN 0.324 nan 8.270 nan 0.000 0.464 42 E N 0.494 120.692 120.200 -0.002 0.000 2.106 42 E HA -0.067 4.283 4.350 0.000 0.000 0.192 42 E C 0.008 176.607 176.600 -0.000 0.000 0.984 42 E CA 1.330 57.729 56.400 -0.002 0.000 0.806 42 E CB 0.339 30.038 29.700 -0.002 0.000 0.750 42 E HN 0.635 nan 8.360 nan 0.000 0.458 43 T N -1.634 112.920 114.554 0.001 0.000 2.906 43 T HA 0.367 4.718 4.350 0.000 0.000 0.295 43 T C -0.314 174.388 174.700 0.004 0.000 1.061 43 T CA -0.978 61.123 62.100 0.002 0.000 1.000 43 T CB 1.966 70.836 68.868 0.003 0.000 1.103 43 T HN -0.097 nan 8.240 nan 0.000 0.486 44 R N 1.307 121.810 120.500 0.006 0.000 2.637 44 R HA 0.150 4.490 4.340 0.000 0.000 0.331 44 R C -0.492 175.814 176.300 0.010 0.000 1.166 44 R CA -0.424 55.681 56.100 0.008 0.000 0.993 44 R CB -0.728 29.578 30.300 0.010 0.000 1.012 44 R HN 0.523 nan 8.270 nan 0.000 0.461 45 L N 6.014 127.243 121.223 0.010 0.000 2.295 45 L HA 0.229 4.569 4.340 0.000 0.000 0.288 45 L C -0.951 175.929 176.870 0.017 0.000 1.079 45 L CA -0.068 54.779 54.840 0.012 0.000 0.830 45 L CB 1.225 43.289 42.059 0.008 0.000 1.200 45 L HN 0.216 nan 8.230 nan 0.000 0.438 46 V N 6.605 126.531 119.914 0.020 0.000 2.439 46 V HA 0.385 4.505 4.120 0.000 0.000 0.282 46 V C 0.240 176.351 176.094 0.029 0.000 1.039 46 V CA -0.558 61.758 62.300 0.027 0.000 0.913 46 V CB 1.371 33.212 31.823 0.029 0.000 0.983 46 V HN 0.586 nan 8.190 nan 0.000 0.460 47 L N 4.249 125.493 121.223 0.035 0.000 2.313 47 L HA 0.612 4.952 4.340 0.000 0.000 0.283 47 L C -0.017 176.876 176.870 0.038 0.000 1.013 47 L CA -0.328 54.534 54.840 0.036 0.000 0.816 47 L CB 1.777 43.861 42.059 0.042 0.000 1.236 47 L HN 0.624 nan 8.230 nan 0.000 0.419 48 E N 2.494 122.716 120.200 0.035 0.000 2.133 48 E HA 0.344 4.694 4.350 0.000 0.000 0.274 48 E C -0.928 175.682 176.600 0.018 0.000 0.930 48 E CA -0.781 55.639 56.400 0.034 0.000 0.770 48 E CB 2.015 31.753 29.700 0.062 0.000 1.104 48 E HN 0.336 nan 8.360 nan 0.000 0.403 49 V N 3.542 123.458 119.914 0.003 0.000 2.673 49 V HA 0.032 4.152 4.120 0.000 0.000 0.303 49 V C 0.960 177.054 176.094 -0.000 0.000 1.046 49 V CA 1.000 63.301 62.300 0.003 0.000 1.126 49 V CB 0.998 32.819 31.823 -0.003 0.000 0.934 49 V HN 0.887 nan 8.190 nan 0.000 0.487 50 A N 3.624 126.454 122.820 0.016 0.000 2.074 50 A HA 0.344 4.664 4.320 0.000 0.000 0.200 50 A C 0.541 178.144 177.584 0.031 0.000 1.335 50 A CA 0.318 52.361 52.037 0.010 0.000 0.922 50 A CB 0.386 19.391 19.000 0.008 0.000 0.972 50 A HN 0.913 nan 8.150 nan 0.000 0.475 51 Q N -0.990 118.853 119.800 0.071 0.000 2.578 51 Q HA 0.365 4.705 4.340 0.000 0.000 0.284 51 Q C -1.774 174.349 176.000 0.204 0.000 0.960 51 Q CA -0.758 55.113 55.803 0.113 0.000 0.809 51 Q CB 0.739 29.512 28.738 0.059 0.000 1.462 51 Q HN 0.476 nan 8.270 nan 0.000 0.392 52 H N 1.442 120.500 119.070 -0.020 0.000 2.519 52 H HA 0.308 4.865 4.556 0.000 0.000 0.316 52 H C 0.296 175.622 175.328 -0.003 0.000 1.065 52 H CA -0.442 55.598 56.048 -0.014 0.000 1.264 52 H CB 1.425 31.173 29.762 -0.023 0.000 1.413 52 H HN 0.475 nan 8.280 nan 0.000 0.465 53 L N 2.764 124.033 121.223 0.077 0.000 2.592 53 L HA 0.206 4.546 4.340 0.000 0.000 0.227 53 L C 1.110 178.006 176.870 0.044 0.000 1.127 53 L CA 0.181 55.050 54.840 0.049 0.000 0.884 53 L CB 0.033 42.108 42.059 0.028 0.000 1.065 53 L HN 0.884 nan 8.230 nan 0.000 0.457 54 G N 0.573 109.406 108.800 0.055 0.000 2.730 54 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 54 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 54 G C -0.074 174.843 174.900 0.029 0.000 1.343 54 G CA -0.557 44.569 45.100 0.044 0.000 0.826 54 G HN 0.357 nan 8.290 nan 0.000 0.582 55 E N -0.676 119.541 120.200 0.027 0.000 2.246 55 E HA -0.184 4.166 4.350 0.000 0.000 0.211 55 E C 0.908 177.521 176.600 0.022 0.000 1.278 55 E CA 0.949 57.361 56.400 0.022 0.000 0.694 55 E CB -1.476 28.234 29.700 0.016 0.000 1.166 55 E HN 1.956 nan 8.360 nan 0.000 0.370 56 S N -1.290 114.425 115.700 0.025 0.000 3.473 56 S HA -0.214 4.256 4.470 0.000 0.000 0.339 56 S C 0.127 174.748 174.600 0.035 0.000 1.148 56 S CA 1.611 59.830 58.200 0.032 0.000 0.969 56 S CB -0.648 62.582 63.200 0.050 0.000 0.936 56 S HN 0.502 nan 8.310 nan 0.000 0.530 57 T N 1.058 115.613 114.554 0.001 0.000 2.829 57 T HA 0.656 5.006 4.350 0.000 0.000 0.280 57 T C 0.242 174.898 174.700 -0.073 0.000 0.999 57 T CA -0.319 61.782 62.100 0.003 0.000 0.983 57 T CB 1.885 70.759 68.868 0.011 0.000 0.968 57 T HN 0.404 nan 8.240 nan 0.000 0.446 58 V N 0.877 120.753 119.914 -0.064 0.000 3.019 58 V HA 0.805 4.926 4.120 0.000 0.000 0.317 58 V C -0.396 175.691 176.094 -0.013 0.000 1.094 58 V CA -1.473 60.756 62.300 -0.118 0.000 1.000 58 V CB 1.833 33.520 31.823 -0.226 0.000 1.060 58 V HN 0.861 nan 8.190 nan 0.000 0.443 59 R N 1.233 121.736 120.500 0.005 0.000 2.437 59 R HA 0.730 5.070 4.340 0.000 0.000 0.310 59 R C -0.509 175.804 176.300 0.021 0.000 0.955 59 R CA 0.215 56.326 56.100 0.019 0.000 0.851 59 R CB 1.739 32.052 30.300 0.022 0.000 1.161 59 R HN 1.192 nan 8.270 nan 0.000 0.446 60 T N 1.478 116.045 114.554 0.022 0.000 2.907 60 T HA 0.539 4.889 4.350 0.000 0.000 0.292 60 T C -0.098 174.611 174.700 0.016 0.000 1.043 60 T CA -0.842 61.270 62.100 0.021 0.000 1.003 60 T CB 1.216 70.103 68.868 0.032 0.000 1.084 60 T HN 0.432 nan 8.240 nan 0.000 0.483 61 I N 2.342 122.920 120.570 0.014 0.000 2.330 61 I HA 0.556 4.726 4.170 0.000 0.000 0.289 61 I C 1.012 177.136 176.117 0.012 0.000 1.001 61 I CA -1.102 60.202 61.300 0.007 0.000 1.193 61 I CB 1.208 39.206 38.000 -0.003 0.000 1.345 61 I HN 0.979 nan 8.210 nan 0.000 0.461 62 A N 7.048 129.873 122.820 0.009 0.000 2.475 62 A HA 0.260 4.580 4.320 0.000 0.000 0.239 62 A C 0.830 178.421 177.584 0.011 0.000 1.087 62 A CA 0.249 52.293 52.037 0.012 0.000 0.779 62 A CB 0.257 19.262 19.000 0.008 0.000 1.036 62 A HN 0.764 nan 8.150 nan 0.000 0.506 63 M N 0.092 119.701 119.600 0.015 0.000 2.313 63 M HA 0.280 4.760 4.480 0.000 0.000 0.273 63 M C -0.237 176.071 176.300 0.012 0.000 1.049 63 M CA 0.190 55.499 55.300 0.015 0.000 1.004 63 M CB -0.691 31.923 32.600 0.023 0.000 1.461 63 M HN 0.790 nan 8.290 nan 0.000 0.514 64 D N -1.061 119.344 120.400 0.010 0.000 2.838 64 D HA 0.465 5.105 4.640 0.000 0.000 0.334 64 D C -0.524 175.779 176.300 0.005 0.000 1.315 64 D CA -0.182 53.822 54.000 0.008 0.000 0.917 64 D CB 1.059 41.864 40.800 0.009 0.000 1.435 64 D HN 0.086 nan 8.370 nan 0.000 0.517 65 G N -0.609 108.194 108.800 0.004 0.000 2.380 65 G HA2 0.340 4.300 3.960 0.000 0.000 0.242 65 G HA3 0.340 4.300 3.960 0.000 0.000 0.242 65 G C 0.808 175.709 174.900 0.002 0.000 1.298 65 G CA 0.541 45.642 45.100 0.003 0.000 0.878 65 G HN 0.369 nan 8.290 nan 0.000 0.542 66 T N -0.781 113.774 114.554 0.001 0.000 3.122 66 T HA 0.131 4.481 4.350 0.000 0.000 0.250 66 T C 0.709 175.409 174.700 -0.001 0.000 1.067 66 T CA -0.137 61.963 62.100 0.000 0.000 0.966 66 T CB 0.061 68.929 68.868 0.000 0.000 1.002 66 T HN 0.625 nan 8.240 nan 0.000 0.542 67 E N 2.076 122.275 120.200 -0.001 0.000 2.344 67 E HA 0.345 4.696 4.350 0.000 0.000 0.270 67 E C 0.784 177.383 176.600 -0.003 0.000 1.021 67 E CA 0.143 56.542 56.400 -0.002 0.000 0.887 67 E CB 0.267 29.966 29.700 -0.001 0.000 0.997 67 E HN 0.493 nan 8.360 nan 0.000 0.429 68 G N 3.537 112.335 108.800 -0.004 0.000 2.255 68 G HA2 -0.191 3.769 3.960 0.000 0.000 0.239 68 G HA3 -0.191 3.769 3.960 0.000 0.000 0.239 68 G C -0.358 174.538 174.900 -0.007 0.000 1.083 68 G CA 0.072 45.169 45.100 -0.005 0.000 0.826 68 G HN 0.463 nan 8.290 nan 0.000 0.493 69 L N 0.433 121.651 121.223 -0.007 0.000 2.305 69 L HA 0.603 4.943 4.340 0.000 0.000 0.284 69 L C 0.472 177.335 176.870 -0.012 0.000 1.013 69 L CA -1.277 53.557 54.840 -0.010 0.000 0.819 69 L CB 1.931 43.985 42.059 -0.008 0.000 1.227 69 L HN 0.002 nan 8.230 nan 0.000 0.417 70 V N 3.141 123.046 119.914 -0.015 0.000 2.481 70 V HA 0.325 4.445 4.120 0.000 0.000 0.286 70 V C 0.533 176.614 176.094 -0.021 0.000 1.042 70 V CA -0.850 61.440 62.300 -0.017 0.000 0.928 70 V CB 1.328 33.140 31.823 -0.018 0.000 0.986 70 V HN 0.675 nan 8.190 nan 0.000 0.462 71 R N 3.300 123.788 120.500 -0.020 0.000 2.498 71 R HA 0.380 4.720 4.340 0.000 0.000 0.334 71 R C 1.186 177.468 176.300 -0.030 0.000 1.106 71 R CA 0.830 56.916 56.100 -0.023 0.000 0.995 71 R CB -0.291 29.997 30.300 -0.019 0.000 0.989 71 R HN 1.153 nan 8.270 nan 0.000 0.455 72 G N 1.900 110.676 108.800 -0.039 0.000 3.211 72 G HA2 -0.219 3.741 3.960 0.000 0.000 0.202 72 G HA3 -0.219 3.741 3.960 0.000 0.000 0.202 72 G C 0.088 174.953 174.900 -0.057 0.000 1.035 72 G CA -0.736 44.335 45.100 -0.048 0.000 0.846 72 G HN 0.520 nan 8.290 nan 0.000 0.464 73 Q N 2.036 121.807 119.800 -0.048 0.000 2.549 73 Q HA 0.155 4.495 4.340 0.000 0.000 0.347 73 Q C 0.258 176.216 176.000 -0.069 0.000 1.081 73 Q CA 0.710 56.484 55.803 -0.048 0.000 1.093 73 Q CB 0.261 28.978 28.738 -0.036 0.000 1.067 73 Q HN 0.443 nan 8.270 nan 0.000 0.398 74 K N 1.828 122.185 120.400 -0.072 0.000 2.355 74 K HA 0.237 4.557 4.320 0.000 0.000 0.270 74 K C -0.794 175.752 176.600 -0.090 0.000 1.003 74 K CA -0.230 55.998 56.287 -0.098 0.000 0.957 74 K CB 0.882 33.334 32.500 -0.080 0.000 0.939 74 K HN 0.303 nan 8.250 nan 0.000 0.482 75 V N 3.743 123.577 119.914 -0.134 0.000 2.789 75 V HA 0.398 4.518 4.120 0.000 0.000 0.311 75 V C -0.720 175.347 176.094 -0.045 0.000 1.073 75 V CA -0.982 61.274 62.300 -0.073 0.000 0.921 75 V CB 1.819 33.611 31.823 -0.052 0.000 1.009 75 V HN 0.572 nan 8.190 nan 0.000 0.426 76 L N 2.797 124.049 121.223 0.049 0.000 2.343 76 L HA 0.496 4.837 4.340 0.000 0.000 0.278 76 L C -0.230 176.734 176.870 0.156 0.000 0.996 76 L CA -0.451 54.453 54.840 0.106 0.000 0.831 76 L CB 1.760 43.849 42.059 0.050 0.000 1.232 76 L HN 0.674 nan 8.230 nan 0.000 0.413 77 D N 1.145 121.692 120.400 0.246 0.000 2.443 77 D HA -0.048 4.592 4.640 0.000 0.000 0.234 77 D C 0.791 177.126 176.300 0.058 0.000 1.172 77 D CA 0.504 54.576 54.000 0.119 0.000 0.878 77 D CB 1.122 41.947 40.800 0.041 0.000 1.204 77 D HN 0.498 nan 8.370 nan 0.000 0.453 78 S N 1.284 116.998 115.700 0.024 0.000 2.650 78 S HA 0.309 4.779 4.470 0.000 0.000 0.240 78 S C 1.367 175.964 174.600 -0.005 0.000 1.007 78 S CA 0.283 58.488 58.200 0.009 0.000 0.984 78 S CB -0.020 63.184 63.200 0.005 0.000 0.910 78 S HN 0.864 nan 8.310 nan 0.000 0.509 79 G N 0.780 109.573 108.800 -0.012 0.000 2.321 79 G HA2 0.079 4.039 3.960 0.000 0.000 0.287 79 G HA3 0.079 4.039 3.960 0.000 0.000 0.287 79 G C 0.230 175.121 174.900 -0.016 0.000 1.018 79 G CA 0.257 45.346 45.100 -0.019 0.000 0.855 79 G HN 1.731 nan 8.290 nan 0.000 0.507 80 A N -1.567 121.246 122.820 -0.012 0.000 2.594 80 A HA 0.808 5.129 4.320 0.000 0.000 0.296 80 A C -2.791 174.798 177.584 0.009 0.000 1.056 80 A CA -0.694 51.342 52.037 -0.002 0.000 0.693 80 A CB 1.141 20.140 19.000 -0.001 0.000 1.278 80 A HN 0.062 nan 8.150 nan 0.000 0.408 81 P HA 0.246 nan 4.420 nan 0.000 0.273 81 P C -0.169 177.177 177.300 0.075 0.000 1.258 81 P CA -0.194 62.940 63.100 0.056 0.000 0.802 81 P CB 0.260 32.017 31.700 0.095 0.000 1.040 82 I N 0.703 121.341 120.570 0.112 0.000 2.741 82 I HA -0.065 4.106 4.170 0.000 0.000 0.288 82 I C 1.142 177.305 176.117 0.077 0.000 1.192 82 I CA 0.926 62.277 61.300 0.086 0.000 1.426 82 I CB -0.152 37.901 38.000 0.090 0.000 1.367 82 I HN 0.112 nan 8.210 nan 0.000 0.563 83 R N 7.472 128.010 120.500 0.063 0.000 2.562 83 R HA 0.742 5.083 4.340 0.000 0.000 0.298 83 R C -0.796 175.581 176.300 0.128 0.000 0.961 83 R CA -0.830 55.321 56.100 0.084 0.000 0.881 83 R CB 2.089 32.420 30.300 0.051 0.000 1.159 83 R HN 0.596 nan 8.270 nan 0.000 0.450 84 I N -1.184 119.485 120.570 0.165 0.000 2.828 84 I HA 0.614 4.784 4.170 0.000 0.000 0.302 84 I C -2.768 173.429 176.117 0.133 0.000 1.101 84 I CA -3.286 58.106 61.300 0.153 0.000 1.031 84 I CB 2.441 40.468 38.000 0.044 0.000 1.231 84 I HN 0.282 nan 8.210 nan 0.000 0.427 85 P HA 0.228 nan 4.420 nan 0.000 0.269 85 P C -0.558 176.514 177.300 -0.381 0.000 1.209 85 P CA -0.148 62.645 63.100 -0.512 0.000 0.776 85 P CB 0.932 32.366 31.700 -0.443 0.000 0.876 86 V N -1.389 118.205 119.914 -0.533 0.000 3.084 86 V HA 0.983 5.103 4.120 0.000 0.000 0.311 86 V C 0.187 175.764 176.094 -0.862 0.000 1.311 86 V CA -0.355 61.573 62.300 -0.619 0.000 1.062 86 V CB 0.876 32.334 31.823 -0.609 0.000 1.113 86 V HN 0.938 nan 8.190 nan 0.000 0.468 87 G N 0.052 108.047 108.800 -1.342 0.000 2.796 87 G HA2 -0.067 3.893 3.960 0.000 0.000 0.571 87 G HA3 -0.067 3.893 3.960 0.000 0.000 0.571 87 G C -1.690 172.995 174.900 -0.358 0.000 1.370 87 G CA 0.004 44.385 45.100 -1.198 0.000 0.856 87 G HN 0.896 nan 8.290 nan 0.000 0.538 88 P HA -0.022 nan 4.420 nan 0.000 0.225 88 P C 1.076 178.346 177.300 -0.051 0.000 1.148 88 P CA 1.346 64.474 63.100 0.047 0.000 0.779 88 P CB 0.119 31.832 31.700 0.023 0.000 0.780 89 E N -0.401 119.740 120.200 -0.098 0.000 2.511 89 E HA -0.031 4.319 4.350 0.000 0.000 0.196 89 E C 1.529 178.075 176.600 -0.090 0.000 1.066 89 E CA 1.028 57.370 56.400 -0.096 0.000 0.871 89 E CB -0.501 29.126 29.700 -0.122 0.000 0.863 89 E HN 0.439 nan 8.360 nan 0.000 0.520 90 T N -2.479 112.029 114.554 -0.077 0.000 3.060 90 T HA 0.181 4.532 4.350 0.000 0.000 0.249 90 T C 1.037 175.743 174.700 0.009 0.000 1.079 90 T CA -0.241 61.832 62.100 -0.046 0.000 1.013 90 T CB -0.007 68.821 68.868 -0.066 0.000 0.975 90 T HN -0.079 nan 8.240 nan 0.000 0.518 91 L N 2.043 123.265 121.223 -0.002 0.000 2.410 91 L HA 0.503 4.843 4.340 0.000 0.000 0.273 91 L C 1.561 178.434 176.870 0.004 0.000 1.144 91 L CA 0.722 55.549 54.840 -0.022 0.000 0.863 91 L CB 0.212 42.189 42.059 -0.137 0.000 1.140 91 L HN 0.511 nan 8.230 nan 0.000 0.463 92 G N 2.003 110.828 108.800 0.043 0.000 2.143 92 G HA2 -0.207 3.753 3.960 0.000 0.000 0.249 92 G HA3 -0.207 3.753 3.960 0.000 0.000 0.249 92 G C 0.124 175.089 174.900 0.108 0.000 0.981 92 G CA -0.441 44.707 45.100 0.080 0.000 0.665 92 G HN 0.474 nan 8.290 nan 0.000 0.528 93 R N -0.297 120.244 120.500 0.068 0.000 2.670 93 R HA 0.669 5.009 4.340 0.000 0.000 0.289 93 R C 0.014 176.320 176.300 0.009 0.000 0.965 93 R CA -0.919 55.199 56.100 0.030 0.000 0.899 93 R CB 1.389 31.692 30.300 0.006 0.000 1.173 93 R HN 0.275 nan 8.270 nan 0.000 0.456 94 I N 4.084 124.613 120.570 -0.069 0.000 2.359 94 I HA 0.441 4.611 4.170 0.000 0.000 0.294 94 I C 0.692 176.794 176.117 -0.025 0.000 0.987 94 I CA -0.569 60.698 61.300 -0.056 0.000 1.225 94 I CB 1.198 39.065 38.000 -0.223 0.000 1.366 94 I HN 0.402 nan 8.210 nan 0.000 0.466 95 M N 4.145 123.765 119.600 0.033 0.000 2.572 95 M HA 0.549 5.029 4.480 0.000 0.000 0.299 95 M C -1.083 175.251 176.300 0.056 0.000 1.205 95 M CA -0.862 54.454 55.300 0.027 0.000 0.876 95 M CB 2.231 34.841 32.600 0.017 0.000 1.728 95 M HN 0.539 nan 8.290 nan 0.000 0.458 96 N N 1.464 120.189 118.700 0.042 0.000 2.332 96 N HA 0.123 4.863 4.740 0.000 0.000 0.285 96 N C 0.678 176.213 175.510 0.041 0.000 1.292 96 N CA -0.362 52.719 53.050 0.052 0.000 0.947 96 N CB -0.134 38.375 38.487 0.037 0.000 1.084 96 N HN 0.613 nan 8.380 nan 0.000 0.529 97 V N -0.610 119.326 119.914 0.036 0.000 2.407 97 V HA -0.107 4.014 4.120 0.000 0.000 0.248 97 V C 1.668 177.776 176.094 0.024 0.000 1.055 97 V CA 1.836 64.151 62.300 0.025 0.000 1.049 97 V CB -0.814 31.023 31.823 0.022 0.000 0.662 97 V HN 0.633 nan 8.190 nan 0.000 0.455 98 I N -2.306 118.282 120.570 0.029 0.000 3.812 98 I HA 0.524 4.694 4.170 0.000 0.000 0.320 98 I C 1.486 177.630 176.117 0.044 0.000 1.276 98 I CA 0.728 62.049 61.300 0.035 0.000 1.164 98 I CB -0.125 37.895 38.000 0.033 0.000 1.009 98 I HN 0.341 nan 8.210 nan 0.000 0.431 99 G N 1.140 109.964 108.800 0.040 0.000 2.232 99 G HA2 -0.243 3.717 3.960 0.000 0.000 0.226 99 G HA3 -0.243 3.717 3.960 0.000 0.000 0.226 99 G C 0.016 174.943 174.900 0.045 0.000 0.996 99 G CA -0.152 44.977 45.100 0.048 0.000 0.626 99 G HN 0.582 nan 8.290 nan 0.000 0.509 100 E N 2.927 123.150 120.200 0.039 0.000 2.480 100 E HA 0.286 4.637 4.350 0.000 0.000 0.258 100 E C -2.099 174.510 176.600 0.015 0.000 0.984 100 E CA -0.884 55.533 56.400 0.028 0.000 0.930 100 E CB 0.863 30.576 29.700 0.022 0.000 0.936 100 E HN 0.327 nan 8.360 nan 0.000 0.466 101 P HA 0.050 nan 4.420 nan 0.000 0.278 101 P C 0.061 177.347 177.300 -0.025 0.000 1.238 101 P CA 0.114 63.208 63.100 -0.010 0.000 0.794 101 P CB 0.524 32.218 31.700 -0.010 0.000 0.955 102 I N -1.249 119.290 120.570 -0.052 0.000 3.817 102 I HA 0.272 4.443 4.170 0.000 0.000 0.325 102 I C 0.264 176.303 176.117 -0.129 0.000 1.550 102 I CA -0.274 60.982 61.300 -0.074 0.000 1.100 102 I CB 0.053 38.013 38.000 -0.067 0.000 1.216 102 I HN 0.035 nan 8.210 nan 0.000 0.481 103 D N 0.675 120.994 120.400 -0.135 0.000 2.388 103 D HA 0.010 4.650 4.640 0.000 0.000 0.221 103 D C 0.169 176.432 176.300 -0.061 0.000 1.133 103 D CA -0.275 53.624 54.000 -0.168 0.000 0.831 103 D CB -0.212 40.435 40.800 -0.254 0.000 0.962 103 D HN 0.452 nan 8.370 nan 0.000 0.502 104 E N 0.393 120.569 120.200 -0.041 0.000 2.183 104 E HA -0.252 4.098 4.350 0.000 0.000 0.196 104 E C -0.123 176.479 176.600 0.003 0.000 1.364 104 E CA 0.260 56.652 56.400 -0.013 0.000 0.700 104 E CB -0.904 28.791 29.700 -0.008 0.000 1.106 104 E HN 0.427 nan 8.360 nan 0.000 0.347 105 R N 0.146 120.648 120.500 0.003 0.000 2.642 105 R HA 0.297 4.637 4.340 0.000 0.000 0.435 105 R C 0.498 176.803 176.300 0.009 0.000 1.046 105 R CA 0.137 56.245 56.100 0.013 0.000 1.103 105 R CB 1.369 31.683 30.300 0.024 0.000 1.425 105 R HN 0.379 nan 8.270 nan 0.000 0.586 106 G N 2.325 111.129 108.800 0.006 0.000 2.746 106 G HA2 -0.189 3.772 3.960 0.000 0.000 0.685 106 G HA3 -0.189 3.772 3.960 0.000 0.000 0.685 106 G C -2.620 172.284 174.900 0.008 0.000 1.350 106 G CA -1.205 43.900 45.100 0.008 0.000 0.837 106 G HN 0.042 nan 8.290 nan 0.000 0.564 107 P HA 0.419 nan 4.420 nan 0.000 0.272 107 P C 0.246 177.556 177.300 0.015 0.000 1.230 107 P CA -0.260 62.852 63.100 0.021 0.000 0.788 107 P CB 0.499 32.218 31.700 0.033 0.000 0.949 108 I N 1.631 122.209 120.570 0.013 0.000 2.396 108 I HA 0.114 4.285 4.170 0.000 0.000 0.289 108 I C 0.942 177.050 176.117 -0.015 0.000 1.056 108 I CA -0.028 61.262 61.300 -0.017 0.000 1.365 108 I CB 0.051 38.020 38.000 -0.051 0.000 1.407 108 I HN 0.065 nan 8.210 nan 0.000 0.509 109 K N 6.079 126.463 120.400 -0.026 0.000 2.292 109 K HA 0.412 4.732 4.320 0.000 0.000 0.270 109 K C -0.134 176.430 176.600 -0.061 0.000 1.062 109 K CA -0.439 55.841 56.287 -0.011 0.000 0.916 109 K CB 1.175 33.678 32.500 0.004 0.000 1.166 109 K HN 0.716 nan 8.250 nan 0.000 0.458 110 T N -1.206 113.294 114.554 -0.090 0.000 2.838 110 T HA 0.360 4.710 4.350 0.000 0.000 0.292 110 T C 0.570 175.249 174.700 -0.035 0.000 1.113 110 T CA -0.943 61.061 62.100 -0.161 0.000 1.008 110 T CB 1.805 70.423 68.868 -0.417 0.000 1.259 110 T HN 0.335 nan 8.240 nan 0.000 0.520 111 K N -0.412 119.968 120.400 -0.033 0.000 2.244 111 K HA 0.185 4.505 4.320 0.000 0.000 0.200 111 K C 0.582 177.252 176.600 0.118 0.000 1.052 111 K CA 0.386 56.720 56.287 0.079 0.000 0.980 111 K CB 0.215 32.747 32.500 0.053 0.000 0.838 111 K HN 0.532 nan 8.250 nan 0.000 0.481 112 Q N 0.455 120.212 119.800 -0.072 0.000 2.274 112 Q HA 0.304 4.645 4.340 0.000 0.000 0.256 112 Q C -1.124 174.704 176.000 -0.286 0.000 0.927 112 Q CA -0.167 55.596 55.803 -0.066 0.000 0.939 112 Q CB 0.862 29.545 28.738 -0.090 0.000 1.201 112 Q HN -0.055 nan 8.270 nan 0.000 0.426 113 F N 0.539 120.456 119.950 -0.054 0.000 2.593 113 F HA 0.812 5.339 4.527 0.000 0.000 0.320 113 F C 0.000 175.782 175.800 -0.030 0.000 1.060 113 F CA -0.808 57.158 58.000 -0.057 0.000 0.940 113 F CB 1.841 40.820 39.000 -0.035 0.000 1.268 113 F HN 0.539 nan 8.300 nan 0.000 0.475 114 A N 0.553 123.461 122.820 0.147 0.000 2.532 114 A HA 0.926 5.247 4.320 0.000 0.000 0.290 114 A C -1.633 176.004 177.584 0.089 0.000 1.143 114 A CA -0.681 51.413 52.037 0.094 0.000 0.728 114 A CB 1.133 20.161 19.000 0.047 0.000 1.317 114 A HN 1.010 nan 8.150 nan 0.000 0.414 115 A N 0.145 123.007 122.820 0.071 0.000 2.305 115 A HA 0.568 4.889 4.320 0.000 0.000 0.322 115 A C 0.754 178.365 177.584 0.045 0.000 1.187 115 A CA -0.165 51.915 52.037 0.072 0.000 0.825 115 A CB -0.149 18.902 19.000 0.085 0.000 1.164 115 A HN 1.521 nan 8.150 nan 0.000 0.498 116 I N -1.059 119.522 120.570 0.018 0.000 3.334 116 I HA 0.076 4.246 4.170 0.000 0.000 0.282 116 I C 0.093 176.087 176.117 -0.205 0.000 1.313 116 I CA 0.456 61.703 61.300 -0.087 0.000 1.396 116 I CB -0.420 37.504 38.000 -0.126 0.000 1.054 116 I HN 0.438 nan 8.210 nan 0.000 0.495 117 H N 2.268 121.352 119.070 0.023 0.000 2.481 117 H HA 0.819 5.375 4.556 0.000 0.000 0.333 117 H C -0.582 174.756 175.328 0.016 0.000 1.066 117 H CA -0.384 55.677 56.048 0.022 0.000 1.209 117 H CB 1.888 31.663 29.762 0.022 0.000 1.445 117 H HN 0.365 nan 8.280 nan 0.000 0.488 118 A N 3.185 126.073 122.820 0.114 0.000 2.606 118 A HA 0.349 4.669 4.320 0.000 0.000 0.293 118 A C -0.493 177.125 177.584 0.056 0.000 1.082 118 A CA -0.914 51.164 52.037 0.068 0.000 0.685 118 A CB 1.746 20.767 19.000 0.035 0.000 1.284 118 A HN 0.566 nan 8.150 nan 0.000 0.408 119 E N 0.629 120.854 120.200 0.042 0.000 2.390 119 E HA 0.438 4.788 4.350 0.000 0.000 0.261 119 E C 0.417 177.032 176.600 0.026 0.000 1.076 119 E CA 0.154 56.575 56.400 0.035 0.000 0.905 119 E CB 1.299 31.016 29.700 0.028 0.000 0.984 119 E HN 0.811 nan 8.360 nan 0.000 0.427 120 A N 3.737 126.574 122.820 0.027 0.000 2.401 120 A HA 0.323 4.644 4.320 0.000 0.000 0.259 120 A C -2.052 175.544 177.584 0.021 0.000 1.103 120 A CA -1.227 50.823 52.037 0.021 0.000 0.789 120 A CB -0.384 18.634 19.000 0.030 0.000 1.035 120 A HN 0.287 nan 8.150 nan 0.000 0.491 121 P HA -0.019 nan 4.420 nan 0.000 0.261 121 P C -0.066 177.245 177.300 0.019 0.000 1.165 121 P CA 0.514 63.616 63.100 0.003 0.000 0.759 121 P CB 0.354 32.044 31.700 -0.016 0.000 0.772 122 E N 2.126 122.343 120.200 0.029 0.000 2.418 122 E HA -0.057 4.294 4.350 0.000 0.000 0.261 122 E C 0.961 177.612 176.600 0.085 0.000 1.070 122 E CA -0.125 56.314 56.400 0.066 0.000 0.931 122 E CB 0.131 29.868 29.700 0.061 0.000 0.954 122 E HN 0.407 nan 8.360 nan 0.000 0.439 123 F N 2.497 122.444 119.950 -0.005 0.000 2.147 123 F HA -0.297 4.230 4.527 0.000 0.000 0.301 123 F C 1.931 177.727 175.800 -0.007 0.000 1.084 123 F CA 2.094 60.090 58.000 -0.006 0.000 1.268 123 F CB -0.211 38.785 39.000 -0.006 0.000 1.009 123 F HN 0.324 nan 8.300 nan 0.000 0.486 124 V N -2.083 117.880 119.914 0.081 0.000 2.490 124 V HA -0.241 3.879 4.120 0.000 0.000 0.250 124 V C 1.769 177.810 176.094 -0.090 0.000 1.061 124 V CA 2.130 64.428 62.300 -0.004 0.000 1.064 124 V CB -1.139 30.718 31.823 0.057 0.000 0.670 124 V HN 0.423 nan 8.190 nan 0.000 0.461 125 E N 0.027 120.181 120.200 -0.077 0.000 2.482 125 E HA 0.082 4.432 4.350 0.000 0.000 0.196 125 E C 0.600 177.131 176.600 -0.115 0.000 1.047 125 E CA -0.023 56.332 56.400 -0.075 0.000 0.869 125 E CB -0.063 29.611 29.700 -0.043 0.000 0.836 125 E HN 0.482 nan 8.360 nan 0.000 0.520 126 M N 0.649 120.131 119.600 -0.197 0.000 2.243 126 M HA 0.097 4.577 4.480 0.000 0.000 0.341 126 M C 0.447 176.640 176.300 -0.180 0.000 1.130 126 M CA 0.139 55.311 55.300 -0.213 0.000 1.162 126 M CB 0.984 33.381 32.600 -0.339 0.000 1.497 126 M HN -0.195 nan 8.290 nan 0.000 0.456 127 S N 0.879 116.503 115.700 -0.128 0.000 2.654 127 S HA 0.637 5.107 4.470 0.000 0.000 0.283 127 S C 0.597 175.142 174.600 -0.093 0.000 1.180 127 S CA -0.746 57.396 58.200 -0.096 0.000 1.021 127 S CB 0.893 64.053 63.200 -0.066 0.000 1.018 127 S HN 0.591 nan 8.310 nan 0.000 0.532 128 V N 0.029 119.900 119.914 -0.071 0.000 3.398 128 V HA 0.492 4.612 4.120 0.000 0.000 0.298 128 V C -0.161 175.911 176.094 -0.037 0.000 1.496 128 V CA -0.445 61.822 62.300 -0.056 0.000 1.044 128 V CB -0.030 31.760 31.823 -0.055 0.000 0.880 128 V HN 0.613 nan 8.190 nan 0.000 0.443 129 E N 2.568 122.748 120.200 -0.033 0.000 2.344 129 E HA 0.390 4.740 4.350 0.000 0.000 0.270 129 E C -0.438 176.151 176.600 -0.018 0.000 1.021 129 E CA 0.271 56.657 56.400 -0.023 0.000 0.887 129 E CB 0.720 30.408 29.700 -0.021 0.000 0.997 129 E HN 0.498 nan 8.360 nan 0.000 0.429 130 Q N 2.279 122.071 119.800 -0.013 0.000 2.394 130 Q HA 0.312 4.652 4.340 0.000 0.000 0.261 130 Q C -0.629 175.368 176.000 -0.004 0.000 1.023 130 Q CA -0.211 55.588 55.803 -0.008 0.000 0.720 130 Q CB 2.130 30.861 28.738 -0.010 0.000 1.241 130 Q HN 0.533 nan 8.270 nan 0.000 0.483 131 E N 2.970 123.172 120.200 0.003 0.000 2.272 131 E HA 0.398 4.748 4.350 0.000 0.000 0.269 131 E C -0.921 175.690 176.600 0.019 0.000 0.877 131 E CA -0.765 55.639 56.400 0.008 0.000 0.755 131 E CB 2.349 32.055 29.700 0.010 0.000 1.192 131 E HN 0.587 nan 8.360 nan 0.000 0.422 132 I N 3.989 124.571 120.570 0.019 0.000 2.692 132 I HA 0.019 4.190 4.170 0.000 0.000 0.284 132 I C -0.743 175.403 176.117 0.048 0.000 1.159 132 I CA -0.125 61.193 61.300 0.030 0.000 1.423 132 I CB 0.421 38.436 38.000 0.024 0.000 1.380 132 I HN 0.435 nan 8.210 nan 0.000 0.580 133 L N 8.755 130.017 121.223 0.066 0.000 2.295 133 L HA 0.390 4.730 4.340 0.000 0.000 0.281 133 L C -0.587 176.326 176.870 0.072 0.000 1.018 133 L CA -0.405 54.484 54.840 0.081 0.000 0.841 133 L CB 1.184 43.311 42.059 0.112 0.000 1.218 133 L HN 0.346 nan 8.230 nan 0.000 0.424 134 V N 3.947 123.898 119.914 0.062 0.000 2.763 134 V HA 0.150 4.270 4.120 0.000 0.000 0.306 134 V C 1.384 177.512 176.094 0.056 0.000 1.059 134 V CA 0.853 63.184 62.300 0.051 0.000 1.138 134 V CB 0.817 32.672 31.823 0.054 0.000 0.940 134 V HN 0.959 nan 8.190 nan 0.000 0.489 135 T N -1.157 113.418 114.554 0.035 0.000 2.964 135 T HA 0.356 4.706 4.350 0.000 0.000 0.249 135 T C 1.319 176.042 174.700 0.038 0.000 1.000 135 T CA 0.767 62.897 62.100 0.050 0.000 0.992 135 T CB 0.671 69.570 68.868 0.052 0.000 1.087 135 T HN 1.701 nan 8.240 nan 0.000 0.489 136 G N 1.726 110.548 108.800 0.037 0.000 2.141 136 G HA2 -0.153 3.807 3.960 0.000 0.000 0.231 136 G HA3 -0.153 3.807 3.960 0.000 0.000 0.231 136 G C -0.094 174.853 174.900 0.079 0.000 0.984 136 G CA 0.018 45.147 45.100 0.048 0.000 0.660 136 G HN 0.666 nan 8.290 nan 0.000 0.525 137 I N 0.537 121.155 120.570 0.080 0.000 2.355 137 I HA 0.300 4.470 4.170 0.000 0.000 0.288 137 I C 1.421 177.575 176.117 0.062 0.000 0.999 137 I CA -0.899 60.491 61.300 0.151 0.000 1.163 137 I CB 1.472 39.602 38.000 0.216 0.000 1.316 137 I HN -0.029 nan 8.210 nan 0.000 0.454 138 K N 3.538 123.964 120.400 0.043 0.000 2.002 138 K HA -0.121 4.199 4.320 0.000 0.000 0.209 138 K C 1.790 178.363 176.600 -0.046 0.000 1.048 138 K CA 1.054 57.344 56.287 0.005 0.000 0.930 138 K CB -0.033 32.454 32.500 -0.022 0.000 0.714 138 K HN 0.517 nan 8.250 nan 0.000 0.438 139 V N 1.240 121.131 119.914 -0.039 0.000 2.594 139 V HA -0.194 3.927 4.120 0.000 0.000 0.253 139 V C 1.880 177.933 176.094 -0.068 0.000 1.069 139 V CA 1.461 63.718 62.300 -0.071 0.000 1.082 139 V CB 0.007 31.818 31.823 -0.021 0.000 0.680 139 V HN 0.114 nan 8.190 nan 0.000 0.469 140 V N -0.387 119.493 119.914 -0.056 0.000 2.300 140 V HA -0.080 4.040 4.120 0.000 0.000 0.241 140 V C 2.268 178.265 176.094 -0.161 0.000 1.034 140 V CA 1.936 64.151 62.300 -0.141 0.000 1.021 140 V CB -0.707 30.969 31.823 -0.245 0.000 0.662 140 V HN 0.477 nan 8.190 nan 0.000 0.458 141 D N 0.059 120.388 120.400 -0.118 0.000 2.265 141 D HA -0.136 4.504 4.640 0.000 0.000 0.208 141 D C 1.850 178.187 176.300 0.062 0.000 0.977 141 D CA 1.147 55.123 54.000 -0.041 0.000 0.871 141 D CB 0.125 40.919 40.800 -0.009 0.000 0.925 141 D HN 0.334 nan 8.370 nan 0.000 0.485 142 L N -0.361 120.848 121.223 -0.024 0.000 2.130 142 L HA 0.045 4.385 4.340 0.000 0.000 0.200 142 L C 1.943 178.851 176.870 0.063 0.000 1.075 142 L CA 1.244 56.065 54.840 -0.031 0.000 0.768 142 L CB -0.120 41.767 42.059 -0.287 0.000 0.933 142 L HN -0.096 nan 8.230 nan 0.000 0.451 143 L N -0.738 120.456 121.223 -0.050 0.000 2.470 143 L HA 0.392 4.733 4.340 0.000 0.000 0.219 143 L C 0.699 177.559 176.870 -0.016 0.000 1.071 143 L CA 0.478 55.288 54.840 -0.050 0.000 0.850 143 L CB -0.045 41.957 42.059 -0.095 0.000 1.040 143 L HN 0.245 nan 8.230 nan 0.000 0.475 144 A N 0.491 123.298 122.820 -0.021 0.000 3.422 144 A HA 0.454 4.775 4.320 0.000 0.000 0.271 144 A C -2.730 174.812 177.584 -0.070 0.000 1.104 144 A CA -0.724 51.315 52.037 0.003 0.000 0.899 144 A CB -0.132 18.905 19.000 0.062 0.000 1.309 144 A HN -0.167 nan 8.150 nan 0.000 0.580 145 P HA 0.369 nan 4.420 nan 0.000 0.280 145 P C -0.838 176.430 177.300 -0.052 0.000 1.244 145 P CA 0.103 63.100 63.100 -0.171 0.000 0.784 145 P CB 0.480 32.145 31.700 -0.058 0.000 0.913 146 Y N 1.140 121.463 120.300 0.039 0.000 2.379 146 Y HA 0.433 4.983 4.550 0.000 0.000 0.337 146 Y C 1.171 177.078 175.900 0.011 0.000 1.238 146 Y CA -0.964 57.149 58.100 0.023 0.000 1.405 146 Y CB -0.106 38.365 38.460 0.019 0.000 1.310 146 Y HN 0.416 nan 8.280 nan 0.000 0.569 147 A N 2.292 125.214 122.820 0.170 0.000 2.342 147 A HA 0.506 4.826 4.320 0.000 0.000 0.323 147 A C -0.465 177.150 177.584 0.052 0.000 1.125 147 A CA -1.255 50.832 52.037 0.082 0.000 0.785 147 A CB 0.507 19.536 19.000 0.050 0.000 1.221 147 A HN 0.757 nan 8.150 nan 0.000 0.463 148 K N 1.018 121.440 120.400 0.037 0.000 2.466 148 K HA 0.287 4.607 4.320 0.000 0.000 0.278 148 K C 1.093 177.689 176.600 -0.008 0.000 1.048 148 K CA 1.384 57.679 56.287 0.015 0.000 1.088 148 K CB 0.122 32.636 32.500 0.023 0.000 0.884 148 K HN 1.551 nan 8.250 nan 0.000 0.478 149 G N 2.129 110.908 108.800 -0.035 0.000 2.176 149 G HA2 -0.239 3.721 3.960 0.000 0.000 0.252 149 G HA3 -0.239 3.721 3.960 0.000 0.000 0.252 149 G C 0.325 175.195 174.900 -0.051 0.000 1.024 149 G CA -0.032 45.038 45.100 -0.050 0.000 0.755 149 G HN 0.852 nan 8.290 nan 0.000 0.507 150 G N -1.005 107.765 108.800 -0.050 0.000 2.552 150 G HA2 0.645 4.605 3.960 0.000 0.000 0.324 150 G HA3 0.645 4.605 3.960 0.000 0.000 0.324 150 G C -0.280 174.573 174.900 -0.079 0.000 1.217 150 G CA -0.944 44.132 45.100 -0.040 0.000 0.989 150 G HN 0.312 nan 8.290 nan 0.000 0.490 151 K N 0.345 120.708 120.400 -0.061 0.000 2.253 151 K HA 0.378 4.698 4.320 0.000 0.000 0.277 151 K C -1.041 175.496 176.600 -0.106 0.000 1.053 151 K CA -0.249 55.983 56.287 -0.091 0.000 0.892 151 K CB 1.604 34.073 32.500 -0.052 0.000 1.102 151 K HN 0.187 nan 8.250 nan 0.000 0.469 152 I N 1.777 122.224 120.570 -0.206 0.000 2.362 152 I HA 0.246 4.416 4.170 0.000 0.000 0.289 152 I C 0.427 176.381 176.117 -0.271 0.000 0.994 152 I CA -0.267 60.855 61.300 -0.296 0.000 1.158 152 I CB 1.973 39.590 38.000 -0.638 0.000 1.315 152 I HN 0.573 nan 8.210 nan 0.000 0.451 153 G N 7.061 115.734 108.800 -0.212 0.000 2.422 153 G HA2 0.650 4.610 3.960 0.000 0.000 0.317 153 G HA3 0.650 4.610 3.960 0.000 0.000 0.317 153 G C -0.676 174.033 174.900 -0.318 0.000 1.210 153 G CA -0.505 44.374 45.100 -0.368 0.000 0.930 153 G HN 0.472 nan 8.290 nan 0.000 0.468 154 L N 3.128 124.154 121.223 -0.328 0.000 2.314 154 L HA 0.376 4.717 4.340 0.000 0.000 0.275 154 L C -0.507 176.245 176.870 -0.196 0.000 1.068 154 L CA -0.610 54.151 54.840 -0.132 0.000 0.894 154 L CB 0.250 42.292 42.059 -0.028 0.000 1.275 154 L HN 0.364 nan 8.230 nan 0.000 0.432 155 F N 1.284 121.217 119.950 -0.028 0.000 2.418 155 F HA 0.646 5.174 4.527 0.000 0.000 0.341 155 F C 1.111 176.913 175.800 0.004 0.000 1.120 155 F CA -0.056 57.915 58.000 -0.047 0.000 1.232 155 F CB 1.558 40.513 39.000 -0.075 0.000 1.175 155 F HN 0.416 nan 8.300 nan 0.000 0.569 156 G N 0.808 109.707 108.800 0.166 0.000 2.503 156 G HA2 0.461 4.421 3.960 0.000 0.000 0.305 156 G HA3 0.461 4.421 3.960 0.000 0.000 0.305 156 G C -0.688 174.221 174.900 0.014 0.000 1.575 156 G CA -0.403 44.760 45.100 0.105 0.000 0.890 156 G HN 0.943 nan 8.290 nan 0.000 0.612 157 G N -0.188 108.605 108.800 -0.011 0.000 2.553 157 G HA2 0.675 4.635 3.960 0.000 0.000 0.278 157 G HA3 0.675 4.635 3.960 0.000 0.000 0.278 157 G C 0.786 175.733 174.900 0.078 0.000 1.349 157 G CA 0.347 45.395 45.100 -0.086 0.000 1.037 157 G HN 1.764 nan 8.290 nan 0.000 0.508 158 A N -1.287 121.623 122.820 0.150 0.000 2.491 158 A HA 0.521 4.841 4.320 0.000 0.000 0.261 158 A C 1.427 179.106 177.584 0.157 0.000 1.101 158 A CA 0.943 53.138 52.037 0.262 0.000 0.772 158 A CB -0.672 18.487 19.000 0.265 0.000 1.043 158 A HN 2.523 nan 8.150 nan 0.000 0.501 159 G N 1.385 110.276 108.800 0.151 0.000 2.246 159 G HA2 -0.170 3.790 3.960 0.000 0.000 0.273 159 G HA3 -0.170 3.790 3.960 0.000 0.000 0.273 159 G C 0.601 175.591 174.900 0.149 0.000 1.055 159 G CA 0.417 45.590 45.100 0.123 0.000 0.851 159 G HN 1.590 nan 8.290 nan 0.000 0.500 160 V N -0.921 119.091 119.914 0.163 0.000 3.431 160 V HA 0.588 4.708 4.120 0.000 0.000 0.253 160 V C 1.825 178.068 176.094 0.247 0.000 1.184 160 V CA 2.230 64.638 62.300 0.182 0.000 1.104 160 V CB 0.406 32.306 31.823 0.128 0.000 0.799 160 V HN 2.007 nan 8.190 nan 0.000 0.462 161 G N -0.074 108.863 108.800 0.228 0.000 2.215 161 G HA2 -0.118 3.842 3.960 0.000 0.000 0.187 161 G HA3 -0.118 3.842 3.960 0.000 0.000 0.187 161 G C 0.533 175.567 174.900 0.224 0.000 1.039 161 G CA 0.241 45.499 45.100 0.263 0.000 0.771 161 G HN 0.389 nan 8.290 nan 0.000 0.507 162 K N -0.089 120.417 120.400 0.177 0.000 1.980 162 K HA 0.009 4.329 4.320 0.000 0.000 0.208 162 K C 2.433 179.115 176.600 0.136 0.000 1.043 162 K CA 1.749 58.124 56.287 0.147 0.000 0.938 162 K CB -0.385 32.187 32.500 0.120 0.000 0.724 162 K HN 0.154 nan 8.250 nan 0.000 0.438 163 T N 1.490 116.121 114.554 0.128 0.000 2.849 163 T HA -0.090 4.260 4.350 0.000 0.000 0.270 163 T C 1.995 176.765 174.700 0.117 0.000 1.066 163 T CA 0.945 63.117 62.100 0.120 0.000 1.130 163 T CB -0.128 68.808 68.868 0.113 0.000 0.864 163 T HN -0.048 nan 8.240 nan 0.000 0.481 164 V N 1.036 121.035 119.914 0.143 0.000 2.407 164 V HA -0.019 4.101 4.120 0.000 0.000 0.245 164 V C 2.268 178.460 176.094 0.164 0.000 1.041 164 V CA 0.959 63.360 62.300 0.168 0.000 1.040 164 V CB -0.483 31.478 31.823 0.230 0.000 0.671 164 V HN 0.335 nan 8.190 nan 0.000 0.455 165 L N 0.233 121.575 121.223 0.199 0.000 2.027 165 L HA -0.065 4.275 4.340 0.000 0.000 0.206 165 L C 2.125 179.017 176.870 0.038 0.000 1.074 165 L CA 1.845 56.788 54.840 0.171 0.000 0.745 165 L CB -0.586 41.632 42.059 0.265 0.000 0.898 165 L HN 0.279 nan 8.230 nan 0.000 0.433 166 I N -1.159 119.449 120.570 0.063 0.000 2.614 166 I HA -0.256 3.915 4.170 0.000 0.000 0.258 166 I C 1.884 177.967 176.117 -0.057 0.000 1.189 166 I CA 0.762 62.080 61.300 0.030 0.000 1.462 166 I CB 0.087 38.131 38.000 0.074 0.000 1.092 166 I HN 0.332 nan 8.210 nan 0.000 0.442 167 M N -0.175 119.402 119.600 -0.038 0.000 2.248 167 M HA -0.115 4.365 4.480 0.000 0.000 0.265 167 M C 2.126 178.343 176.300 -0.137 0.000 1.079 167 M CA 1.330 56.579 55.300 -0.086 0.000 1.150 167 M CB -1.188 31.397 32.600 -0.025 0.000 1.366 167 M HN 0.164 nan 8.290 nan 0.000 0.433 168 E N 1.155 121.256 120.200 -0.165 0.000 2.058 168 E HA -0.149 4.201 4.350 0.000 0.000 0.194 168 E C 2.037 178.477 176.600 -0.266 0.000 0.997 168 E CA 1.490 57.708 56.400 -0.303 0.000 0.801 168 E CB -0.513 28.756 29.700 -0.720 0.000 0.746 168 E HN 0.450 nan 8.360 nan 0.000 0.450 169 L N 0.060 121.158 121.223 -0.208 0.000 2.079 169 L HA -0.201 4.139 4.340 0.000 0.000 0.210 169 L C 2.564 179.381 176.870 -0.088 0.000 1.081 169 L CA 1.225 56.016 54.840 -0.083 0.000 0.752 169 L CB -0.378 41.708 42.059 0.044 0.000 0.896 169 L HN 0.282 nan 8.230 nan 0.000 0.433 170 I N -0.168 120.252 120.570 -0.250 0.000 2.099 170 I HA -0.366 3.805 4.170 0.000 0.000 0.239 170 I C 2.273 178.303 176.117 -0.145 0.000 1.066 170 I CA 1.792 62.887 61.300 -0.342 0.000 1.324 170 I CB -0.366 37.329 38.000 -0.508 0.000 1.037 170 I HN 0.340 nan 8.210 nan 0.000 0.401 171 N N 0.949 119.568 118.700 -0.135 0.000 2.184 171 N HA -0.221 4.519 4.740 0.000 0.000 0.190 171 N C 1.434 176.912 175.510 -0.052 0.000 1.011 171 N CA 1.695 54.694 53.050 -0.085 0.000 0.867 171 N CB -0.037 38.396 38.487 -0.089 0.000 0.993 171 N HN 0.287 nan 8.380 nan 0.000 0.433 172 N N -1.088 117.579 118.700 -0.055 0.000 2.197 172 N HA 0.006 4.746 4.740 0.000 0.000 0.184 172 N C 1.494 177.020 175.510 0.028 0.000 1.030 172 N CA 1.208 54.247 53.050 -0.018 0.000 0.851 172 N CB -0.275 38.192 38.487 -0.033 0.000 1.003 172 N HN 0.083 nan 8.380 nan 0.000 0.430 173 V N 0.485 120.432 119.914 0.055 0.000 2.788 173 V HA 0.236 4.357 4.120 0.000 0.000 0.241 173 V C 2.171 178.334 176.094 0.115 0.000 1.083 173 V CA 1.110 63.468 62.300 0.095 0.000 1.103 173 V CB -0.758 31.139 31.823 0.122 0.000 0.800 173 V HN 0.219 nan 8.190 nan 0.000 0.476 174 A N 0.331 123.229 122.820 0.131 0.000 1.933 174 A HA -0.187 4.133 4.320 0.000 0.000 0.218 174 A C 2.251 179.917 177.584 0.137 0.000 1.175 174 A CA 1.837 53.972 52.037 0.163 0.000 0.628 174 A CB -0.359 18.735 19.000 0.156 0.000 0.814 174 A HN 0.518 nan 8.150 nan 0.000 0.444 175 K N -0.375 120.069 120.400 0.074 0.000 2.025 175 K HA 0.037 4.357 4.320 0.000 0.000 0.207 175 K C 1.376 178.020 176.600 0.073 0.000 1.049 175 K CA 1.060 57.381 56.287 0.056 0.000 0.933 175 K CB -0.215 32.295 32.500 0.017 0.000 0.714 175 K HN 0.360 nan 8.250 nan 0.000 0.438 176 A N 1.718 124.587 122.820 0.081 0.000 2.929 176 A HA 0.041 4.361 4.320 0.000 0.000 0.279 176 A C -0.708 176.950 177.584 0.124 0.000 1.418 176 A CA -0.089 51.993 52.037 0.076 0.000 1.035 176 A CB -0.696 18.338 19.000 0.056 0.000 1.047 176 A HN 0.244 nan 8.150 nan 0.000 0.609 177 H N -1.620 117.460 119.070 0.017 0.000 2.495 177 H HA 0.554 5.111 4.556 0.000 0.000 0.348 177 H C 1.241 176.554 175.328 -0.024 0.000 1.113 177 H CA 0.190 56.242 56.048 0.005 0.000 1.195 177 H CB 1.549 31.328 29.762 0.028 0.000 1.521 177 H HN 0.120 nan 8.280 nan 0.000 0.509 178 G N 2.853 111.287 108.800 -0.610 0.000 2.404 178 G HA2 0.005 3.965 3.960 0.000 0.000 0.214 178 G HA3 0.005 3.965 3.960 0.000 0.000 0.214 178 G C 0.951 175.498 174.900 -0.589 0.000 1.189 178 G CA 0.429 45.239 45.100 -0.483 0.000 0.789 178 G HN 0.779 nan 8.290 nan 0.000 0.533 179 G N -0.988 107.250 108.800 -0.938 0.000 2.486 179 G HA2 0.405 4.365 3.960 0.000 0.000 0.272 179 G HA3 0.405 4.365 3.960 0.000 0.000 0.272 179 G C -0.594 174.124 174.900 -0.303 0.000 1.426 179 G CA -0.534 44.200 45.100 -0.611 0.000 1.058 179 G HN 0.146 nan 8.290 nan 0.000 0.531 180 Y N -1.144 119.139 120.300 -0.028 0.000 2.432 180 Y HA 0.606 5.156 4.550 0.000 0.000 0.322 180 Y C 0.668 176.546 175.900 -0.036 0.000 1.246 180 Y CA -1.052 56.961 58.100 -0.145 0.000 1.268 180 Y CB 1.723 39.822 38.460 -0.601 0.000 1.276 180 Y HN 0.292 nan 8.280 nan 0.000 0.499 181 S N 0.385 116.169 115.700 0.141 0.000 2.538 181 S HA 0.689 5.160 4.470 0.000 0.000 0.288 181 S C -1.329 173.364 174.600 0.154 0.000 1.108 181 S CA -0.822 57.468 58.200 0.150 0.000 0.971 181 S CB 1.789 65.145 63.200 0.260 0.000 1.041 181 S HN 0.300 nan 8.310 nan 0.000 0.483 182 V N 3.293 123.308 119.914 0.169 0.000 2.487 182 V HA 0.516 4.636 4.120 0.000 0.000 0.298 182 V C -1.062 175.180 176.094 0.246 0.000 1.028 182 V CA -0.639 61.777 62.300 0.192 0.000 0.860 182 V CB 1.178 33.097 31.823 0.161 0.000 0.991 182 V HN 0.856 nan 8.190 nan 0.000 0.427 183 F N 3.910 123.930 119.950 0.117 0.000 2.436 183 F HA 0.779 5.306 4.527 0.000 0.000 0.340 183 F C 0.272 176.034 175.800 -0.064 0.000 1.113 183 F CA -0.504 57.543 58.000 0.078 0.000 1.022 183 F CB 1.494 40.534 39.000 0.067 0.000 1.128 183 F HN 0.528 nan 8.300 nan 0.000 0.466 184 A N 4.601 127.112 122.820 -0.515 0.000 2.409 184 A HA 0.583 4.903 4.320 0.000 0.000 0.300 184 A C -0.128 177.098 177.584 -0.596 0.000 1.273 184 A CA -0.380 51.408 52.037 -0.413 0.000 0.774 184 A CB 0.065 18.903 19.000 -0.271 0.000 1.144 184 A HN 1.021 nan 8.150 nan 0.000 0.472 185 G N 1.196 109.604 108.800 -0.652 0.000 2.372 185 G HA2 0.475 4.435 3.960 0.000 0.000 0.286 185 G HA3 0.475 4.435 3.960 0.000 0.000 0.286 185 G C -0.432 174.331 174.900 -0.229 0.000 1.153 185 G CA -0.020 44.778 45.100 -0.504 0.000 0.985 185 G HN 0.730 nan 8.290 nan 0.000 0.429 186 V N 2.995 122.834 119.914 -0.125 0.000 2.326 186 V HA 0.578 4.698 4.120 0.000 0.000 0.281 186 V C 1.121 177.226 176.094 0.018 0.000 1.015 186 V CA 0.307 62.583 62.300 -0.040 0.000 0.823 186 V CB 0.735 32.533 31.823 -0.040 0.000 1.009 186 V HN 1.352 nan 8.190 nan 0.000 0.436 187 G N 3.319 112.144 108.800 0.042 0.000 2.203 187 G HA2 -0.195 3.765 3.960 0.000 0.000 0.263 187 G HA3 -0.195 3.765 3.960 0.000 0.000 0.263 187 G C 0.216 175.146 174.900 0.050 0.000 1.012 187 G CA 0.452 45.580 45.100 0.047 0.000 0.749 187 G HN 0.575 nan 8.290 nan 0.000 0.512 188 E N -0.542 119.703 120.200 0.074 0.000 2.803 188 E HA 0.456 4.806 4.350 0.000 0.000 0.250 188 E C 1.029 177.682 176.600 0.088 0.000 1.102 188 E CA -0.869 55.575 56.400 0.073 0.000 1.017 188 E CB 0.544 30.302 29.700 0.098 0.000 1.346 188 E HN 0.429 nan 8.360 nan 0.000 0.532 189 R N -0.040 120.508 120.500 0.081 0.000 2.543 189 R HA 0.136 4.476 4.340 0.000 0.000 0.277 189 R C 1.339 177.690 176.300 0.086 0.000 1.074 189 R CA 0.131 56.270 56.100 0.066 0.000 1.076 189 R CB 0.214 30.540 30.300 0.045 0.000 0.993 189 R HN 0.413 nan 8.270 nan 0.000 0.459 190 T N 2.342 116.926 114.554 0.050 0.000 2.821 190 T HA -0.147 4.203 4.350 0.000 0.000 0.267 190 T C 1.632 176.326 174.700 -0.011 0.000 1.046 190 T CA 1.638 63.748 62.100 0.017 0.000 1.139 190 T CB -0.114 68.751 68.868 -0.004 0.000 0.871 190 T HN 0.591 nan 8.240 nan 0.000 0.454 191 R N 2.147 122.651 120.500 0.008 0.000 2.193 191 R HA 0.036 4.376 4.340 0.000 0.000 0.229 191 R C 1.786 178.100 176.300 0.022 0.000 1.110 191 R CA 1.327 57.433 56.100 0.009 0.000 0.988 191 R CB -0.705 29.602 30.300 0.011 0.000 0.871 191 R HN 0.367 nan 8.270 nan 0.000 0.458 192 E N 0.152 120.382 120.200 0.049 0.000 2.409 192 E HA -0.042 4.309 4.350 0.000 0.000 0.198 192 E C 1.666 178.326 176.600 0.100 0.000 1.024 192 E CA 0.918 57.370 56.400 0.086 0.000 0.861 192 E CB 0.092 29.871 29.700 0.132 0.000 0.788 192 E HN 0.714 nan 8.360 nan 0.000 0.521 193 G N 1.061 109.868 108.800 0.012 0.000 2.490 193 G HA2 -0.206 3.754 3.960 0.000 0.000 0.211 193 G HA3 -0.206 3.754 3.960 0.000 0.000 0.211 193 G C 1.360 176.158 174.900 -0.170 0.000 1.159 193 G CA 0.244 45.206 45.100 -0.230 0.000 0.819 193 G HN 0.168 nan 8.290 nan 0.000 0.539 194 N N 0.450 119.097 118.700 -0.089 0.000 2.364 194 N HA -0.077 4.663 4.740 0.000 0.000 0.183 194 N C 1.517 177.125 175.510 0.164 0.000 1.022 194 N CA 1.334 54.417 53.050 0.055 0.000 0.883 194 N CB 0.035 38.574 38.487 0.086 0.000 0.965 194 N HN 0.121 nan 8.380 nan 0.000 0.438 195 D N -0.093 120.351 120.400 0.074 0.000 2.091 195 D HA -0.105 4.535 4.640 0.000 0.000 0.199 195 D C 1.814 178.133 176.300 0.032 0.000 0.980 195 D CA 0.569 54.606 54.000 0.062 0.000 0.831 195 D CB -0.434 40.385 40.800 0.031 0.000 0.987 195 D HN 0.198 nan 8.370 nan 0.000 0.460 196 L N -0.139 121.073 121.223 -0.018 0.000 2.046 196 L HA -0.179 4.162 4.340 0.000 0.000 0.208 196 L C 2.186 179.027 176.870 -0.047 0.000 1.077 196 L CA 1.534 56.320 54.840 -0.089 0.000 0.747 196 L CB -0.660 41.264 42.059 -0.224 0.000 0.896 196 L HN 0.041 nan 8.230 nan 0.000 0.432 197 Y N -0.101 120.089 120.300 -0.183 0.000 2.145 197 Y HA -0.268 4.282 4.550 0.000 0.000 0.286 197 Y C 2.600 178.366 175.900 -0.222 0.000 1.145 197 Y CA 2.285 60.243 58.100 -0.236 0.000 1.148 197 Y CB -0.591 37.660 38.460 -0.349 0.000 0.981 197 Y HN 0.426 nan 8.280 nan 0.000 0.507 198 H N -1.004 118.003 119.070 -0.104 0.000 2.428 198 H HA -0.070 4.486 4.556 0.000 0.000 0.296 198 H C 2.176 177.418 175.328 -0.144 0.000 1.062 198 H CA 1.361 57.306 56.048 -0.171 0.000 1.350 198 H CB 0.051 29.767 29.762 -0.077 0.000 1.403 198 H HN 0.436 nan 8.280 nan 0.000 0.533 199 E N 0.332 120.532 120.200 0.000 0.000 2.152 199 E HA -0.133 4.217 4.350 0.000 0.000 0.192 199 E C 1.832 178.389 176.600 -0.073 0.000 0.983 199 E CA 0.629 57.010 56.400 -0.032 0.000 0.818 199 E CB 0.141 29.823 29.700 -0.031 0.000 0.758 199 E HN 0.449 nan 8.360 nan 0.000 0.467 200 M N 0.104 119.638 119.600 -0.110 0.000 2.193 200 M HA -0.065 4.415 4.480 0.000 0.000 0.265 200 M C 2.247 178.464 176.300 -0.138 0.000 1.071 200 M CA 0.871 56.103 55.300 -0.113 0.000 1.140 200 M CB -0.070 32.470 32.600 -0.100 0.000 1.369 200 M HN 0.186 nan 8.290 nan 0.000 0.423 201 I N 0.190 120.621 120.570 -0.232 0.000 2.208 201 I HA -0.310 3.861 4.170 0.000 0.000 0.245 201 I C 2.317 178.361 176.117 -0.122 0.000 1.097 201 I CA 1.431 62.595 61.300 -0.226 0.000 1.363 201 I CB -0.332 37.461 38.000 -0.344 0.000 1.051 201 I HN 0.291 nan 8.210 nan 0.000 0.413 202 E N 0.857 121.000 120.200 -0.095 0.000 2.110 202 E HA -0.206 4.144 4.350 0.000 0.000 0.193 202 E C 2.126 178.698 176.600 -0.047 0.000 0.988 202 E CA 1.725 58.090 56.400 -0.057 0.000 0.804 202 E CB -0.013 29.662 29.700 -0.040 0.000 0.745 202 E HN 0.522 nan 8.360 nan 0.000 0.458 203 S N -2.079 113.591 115.700 -0.051 0.000 2.558 203 S HA 0.221 4.691 4.470 0.000 0.000 0.217 203 S C 1.696 176.277 174.600 -0.032 0.000 0.975 203 S CA 0.441 58.618 58.200 -0.038 0.000 0.912 203 S CB 0.485 63.662 63.200 -0.038 0.000 0.776 203 S HN 0.473 nan 8.310 nan 0.000 0.526 204 G N 1.026 109.802 108.800 -0.041 0.000 2.241 204 G HA2 -0.384 3.576 3.960 0.000 0.000 0.244 204 G HA3 -0.384 3.576 3.960 0.000 0.000 0.244 204 G C 1.015 175.902 174.900 -0.022 0.000 0.998 204 G CA 0.513 45.595 45.100 -0.031 0.000 0.621 204 G HN 1.294 nan 8.290 nan 0.000 0.519 205 V N -0.992 118.910 119.914 -0.019 0.000 2.688 205 V HA 0.253 4.373 4.120 0.000 0.000 0.256 205 V C 1.392 177.485 176.094 -0.001 0.000 1.084 205 V CA 1.734 64.034 62.300 0.001 0.000 1.103 205 V CB -0.448 31.379 31.823 0.007 0.000 0.688 205 V HN 0.525 nan 8.190 nan 0.000 0.480 206 I N 1.923 122.475 120.570 -0.031 0.000 2.382 206 I HA 0.431 4.602 4.170 0.000 0.000 0.286 206 I C -0.407 175.679 176.117 -0.052 0.000 1.002 206 I CA -0.153 61.128 61.300 -0.033 0.000 1.135 206 I CB 1.380 39.347 38.000 -0.055 0.000 1.288 206 I HN 0.113 nan 8.210 nan 0.000 0.448 207 N N 6.745 125.430 118.700 -0.025 0.000 2.417 207 N HA 0.398 5.139 4.740 0.000 0.000 0.274 207 N C 0.276 175.776 175.510 -0.017 0.000 0.987 207 N CA -0.380 52.654 53.050 -0.026 0.000 0.912 207 N CB 1.998 40.478 38.487 -0.012 0.000 1.177 207 N HN 0.566 nan 8.380 nan 0.000 0.490 208 L N 2.665 123.872 121.223 -0.025 0.000 2.298 208 L HA 0.097 4.437 4.340 0.000 0.000 0.209 208 L C 2.038 178.906 176.870 -0.002 0.000 1.084 208 L CA 0.359 55.194 54.840 -0.010 0.000 0.816 208 L CB -0.139 41.908 42.059 -0.019 0.000 0.967 208 L HN 0.354 nan 8.230 nan 0.000 0.460 209 K N 0.993 121.389 120.400 -0.007 0.000 2.001 209 K HA -0.055 4.266 4.320 0.000 0.000 0.208 209 K C 0.548 177.148 176.600 0.000 0.000 1.048 209 K CA 1.306 57.592 56.287 -0.003 0.000 0.932 209 K CB -0.377 32.120 32.500 -0.005 0.000 0.715 209 K HN 0.515 nan 8.250 nan 0.000 0.437 210 D N -1.627 118.773 120.400 -0.000 0.000 2.624 210 D HA 0.430 5.070 4.640 0.000 0.000 0.257 210 D C -0.747 175.555 176.300 0.003 0.000 1.167 210 D CA -0.833 53.168 54.000 0.003 0.000 1.086 210 D CB 0.682 41.484 40.800 0.004 0.000 1.210 210 D HN -0.015 nan 8.370 nan 0.000 0.631 211 A N -0.473 122.349 122.820 0.005 0.000 3.105 211 A HA 0.392 4.712 4.320 0.000 0.000 0.297 211 A C 0.467 178.056 177.584 0.008 0.000 0.977 211 A CA -0.284 51.755 52.037 0.003 0.000 1.020 211 A CB -0.713 18.287 19.000 -0.000 0.000 1.098 211 A HN 0.539 nan 8.150 nan 0.000 0.497 212 T N -1.730 112.832 114.554 0.012 0.000 3.235 212 T HA 0.154 4.505 4.350 0.000 0.000 0.251 212 T C 0.574 175.290 174.700 0.027 0.000 1.060 212 T CA 0.153 62.268 62.100 0.025 0.000 0.949 212 T CB -0.531 68.350 68.868 0.022 0.000 1.020 212 T HN 0.280 nan 8.240 nan 0.000 0.564 213 S N 1.875 117.581 115.700 0.010 0.000 2.537 213 S HA 0.245 4.715 4.470 0.000 0.000 0.286 213 S C 0.913 175.517 174.600 0.006 0.000 1.299 213 S CA -0.554 57.650 58.200 0.006 0.000 1.067 213 S CB 1.241 64.441 63.200 -0.001 0.000 0.864 213 S HN 0.266 nan 8.310 nan 0.000 0.494 214 K N 1.352 121.774 120.400 0.038 0.000 2.399 214 K HA 0.269 4.589 4.320 0.000 0.000 0.196 214 K C -0.376 176.267 176.600 0.071 0.000 1.103 214 K CA 0.274 56.617 56.287 0.093 0.000 0.986 214 K CB 0.671 33.241 32.500 0.117 0.000 0.952 214 K HN 0.509 nan 8.250 nan 0.000 0.541 215 V N 1.097 121.044 119.914 0.055 0.000 2.555 215 V HA 0.712 4.832 4.120 0.000 0.000 0.302 215 V C -0.609 175.534 176.094 0.082 0.000 1.038 215 V CA -1.448 60.905 62.300 0.087 0.000 0.887 215 V CB 1.497 33.386 31.823 0.111 0.000 0.991 215 V HN 0.092 nan 8.190 nan 0.000 0.434 216 A N 5.463 128.350 122.820 0.111 0.000 2.317 216 A HA 0.896 5.216 4.320 0.000 0.000 0.327 216 A C -0.779 176.912 177.584 0.179 0.000 1.178 216 A CA -0.527 51.589 52.037 0.132 0.000 0.817 216 A CB 0.665 19.765 19.000 0.167 0.000 1.189 216 A HN 0.817 nan 8.150 nan 0.000 0.489 217 L N 2.674 123.998 121.223 0.169 0.000 2.341 217 L HA 0.699 5.039 4.340 0.000 0.000 0.278 217 L C -0.941 176.045 176.870 0.192 0.000 1.005 217 L CA -0.921 54.059 54.840 0.234 0.000 0.818 217 L CB 1.816 44.042 42.059 0.279 0.000 1.259 217 L HN 0.409 nan 8.230 nan 0.000 0.418 218 V N 2.500 122.504 119.914 0.151 0.000 2.638 218 V HA 0.496 4.616 4.120 0.000 0.000 0.306 218 V C -1.304 174.785 176.094 -0.008 0.000 1.052 218 V CA -0.699 61.657 62.300 0.093 0.000 0.885 218 V CB 2.086 33.920 31.823 0.018 0.000 0.999 218 V HN 0.452 nan 8.190 nan 0.000 0.424 219 Y N 1.163 121.487 120.300 0.040 0.000 2.477 219 Y HA 0.766 5.316 4.550 0.000 0.000 0.347 219 Y C 0.571 176.484 175.900 0.023 0.000 0.981 219 Y CA -0.618 57.508 58.100 0.043 0.000 1.033 219 Y CB 2.855 41.333 38.460 0.030 0.000 1.245 219 Y HN 0.732 nan 8.280 nan 0.000 0.455 220 G N 3.101 111.992 108.800 0.151 0.000 4.079 220 G HA2 0.222 4.182 3.960 0.000 0.000 0.271 220 G HA3 0.222 4.182 3.960 0.000 0.000 0.271 220 G C -0.905 174.053 174.900 0.097 0.000 1.144 220 G CA -0.542 44.617 45.100 0.097 0.000 0.700 220 G HN 0.285 nan 8.290 nan 0.000 0.500 221 Q N 0.562 120.447 119.800 0.141 0.000 2.544 221 Q HA 0.189 4.529 4.340 0.000 0.000 0.194 221 Q C 2.067 178.108 176.000 0.069 0.000 1.104 221 Q CA -0.462 55.417 55.803 0.127 0.000 1.131 221 Q CB 0.448 29.277 28.738 0.153 0.000 1.210 221 Q HN 0.697 nan 8.270 nan 0.000 0.639 222 M N -0.318 119.315 119.600 0.056 0.000 2.740 222 M HA -0.027 4.453 4.480 0.000 0.000 0.230 222 M C 0.321 176.636 176.300 0.025 0.000 1.100 222 M CA 1.031 56.350 55.300 0.032 0.000 1.047 222 M CB -0.457 32.155 32.600 0.020 0.000 1.652 222 M HN 0.375 nan 8.290 nan 0.000 0.528 223 N N -0.098 118.619 118.700 0.029 0.000 2.405 223 N HA 0.043 4.783 4.740 0.000 0.000 0.175 223 N C -0.079 175.442 175.510 0.018 0.000 1.051 223 N CA 0.293 53.355 53.050 0.020 0.000 0.899 223 N CB -0.113 38.385 38.487 0.017 0.000 1.000 223 N HN 0.383 nan 8.380 nan 0.000 0.451 224 E N 1.475 121.689 120.200 0.023 0.000 2.354 224 E HA 0.246 4.596 4.350 0.000 0.000 0.269 224 E C -2.209 174.397 176.600 0.010 0.000 1.036 224 E CA -1.750 54.661 56.400 0.019 0.000 0.876 224 E CB 0.407 30.123 29.700 0.027 0.000 1.009 224 E HN 0.223 nan 8.360 nan 0.000 0.416 225 P HA 0.013 nan 4.420 nan 0.000 0.272 225 P C -1.771 175.523 177.300 -0.010 0.000 1.230 225 P CA -0.943 62.156 63.100 -0.002 0.000 0.788 225 P CB 0.029 31.728 31.700 -0.001 0.000 0.949 226 P HA -0.267 nan 4.420 nan 0.000 0.217 226 P C 1.531 178.801 177.300 -0.049 0.000 1.158 226 P CA 2.335 65.412 63.100 -0.038 0.000 0.887 226 P CB -0.733 30.944 31.700 -0.039 0.000 0.792 227 G N 0.270 109.049 108.800 -0.034 0.000 2.469 227 G HA2 -0.275 3.685 3.960 0.000 0.000 0.219 227 G HA3 -0.275 3.685 3.960 0.000 0.000 0.219 227 G C 1.836 176.722 174.900 -0.023 0.000 1.150 227 G CA 1.426 46.508 45.100 -0.031 0.000 0.763 227 G HN 0.424 nan 8.290 nan 0.000 0.561 228 A N 0.606 123.420 122.820 -0.011 0.000 1.898 228 A HA 0.055 4.375 4.320 0.000 0.000 0.216 228 A C 2.440 180.024 177.584 -0.001 0.000 1.181 228 A CA 1.449 53.487 52.037 0.001 0.000 0.620 228 A CB -0.328 18.678 19.000 0.011 0.000 0.819 228 A HN 0.355 nan 8.150 nan 0.000 0.442 229 R N -0.470 120.023 120.500 -0.012 0.000 2.148 229 R HA -0.006 4.334 4.340 0.000 0.000 0.227 229 R C 2.259 178.537 176.300 -0.036 0.000 1.103 229 R CA 0.943 57.035 56.100 -0.013 0.000 0.983 229 R CB -0.348 29.941 30.300 -0.019 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.806 123.570 122.820 -0.094 0.000 2.014 230 A HA -0.051 4.269 4.320 0.000 0.000 0.218 230 A C 1.792 179.321 177.584 -0.092 0.000 1.163 230 A CA 0.927 52.833 52.037 -0.218 0.000 0.652 230 A CB 0.095 18.953 19.000 -0.237 0.000 0.808 230 A HN 0.073 nan 8.150 nan 0.000 0.449 231 R N -1.442 119.056 120.500 -0.003 0.000 2.404 231 R HA 0.161 4.501 4.340 0.000 0.000 0.237 231 R C 1.561 177.878 176.300 0.029 0.000 0.907 231 R CA 0.666 56.785 56.100 0.031 0.000 1.063 231 R CB -0.547 29.762 30.300 0.014 0.000 1.134 231 R HN 0.357 nan 8.270 nan 0.000 0.529 232 V N 1.302 121.236 119.914 0.033 0.000 2.667 232 V HA -0.085 4.035 4.120 0.000 0.000 0.252 232 V C 2.066 178.156 176.094 -0.007 0.000 1.065 232 V CA 1.844 64.151 62.300 0.012 0.000 1.083 232 V CB -0.165 31.666 31.823 0.014 0.000 0.692 232 V HN 0.272 nan 8.190 nan 0.000 0.468 233 A N -0.193 122.643 122.820 0.027 0.000 1.898 233 A HA -0.110 4.210 4.320 0.000 0.000 0.216 233 A C 2.071 179.609 177.584 -0.077 0.000 1.181 233 A CA 1.903 53.917 52.037 -0.040 0.000 0.620 233 A CB -0.527 18.452 19.000 -0.035 0.000 0.819 233 A HN 0.541 nan 8.150 nan 0.000 0.442 234 L N -0.463 120.733 121.223 -0.044 0.000 2.046 234 L HA -0.179 4.161 4.340 0.000 0.000 0.208 234 L C 2.803 179.620 176.870 -0.087 0.000 1.077 234 L CA 1.917 56.701 54.840 -0.094 0.000 0.747 234 L CB -0.941 41.034 42.059 -0.139 0.000 0.896 234 L HN 0.344 nan 8.230 nan 0.000 0.432 235 T N -0.449 114.068 114.554 -0.063 0.000 2.635 235 T HA -0.202 4.148 4.350 0.000 0.000 0.267 235 T C 1.868 176.542 174.700 -0.043 0.000 1.040 235 T CA 1.571 63.644 62.100 -0.045 0.000 1.156 235 T CB -0.882 67.973 68.868 -0.022 0.000 0.863 235 T HN 0.574 nan 8.240 nan 0.000 0.430 236 G N 2.200 110.969 108.800 -0.051 0.000 2.433 236 G HA2 -0.141 3.819 3.960 0.000 0.000 0.216 236 G HA3 -0.141 3.819 3.960 0.000 0.000 0.216 236 G C 1.573 176.447 174.900 -0.044 0.000 1.186 236 G CA 1.243 46.314 45.100 -0.049 0.000 0.779 236 G HN 0.594 nan 8.290 nan 0.000 0.543 237 L N -0.743 120.436 121.223 -0.074 0.000 2.201 237 L HA 0.154 4.494 4.340 0.000 0.000 0.212 237 L C 2.390 179.235 176.870 -0.042 0.000 1.105 237 L CA 2.354 57.152 54.840 -0.071 0.000 0.775 237 L CB -1.253 40.739 42.059 -0.111 0.000 0.913 237 L HN 0.016 nan 8.230 nan 0.000 0.440 238 T N -0.349 114.179 114.554 -0.045 0.000 2.857 238 T HA -0.041 4.310 4.350 0.000 0.000 0.266 238 T C 2.024 176.707 174.700 -0.029 0.000 1.048 238 T CA 1.461 63.541 62.100 -0.033 0.000 1.139 238 T CB -0.350 68.494 68.868 -0.040 0.000 0.874 238 T HN 0.223 nan 8.240 nan 0.000 0.455 239 V N 1.795 121.688 119.914 -0.034 0.000 2.407 239 V HA -0.155 3.965 4.120 0.000 0.000 0.248 239 V C 2.870 178.983 176.094 0.031 0.000 1.055 239 V CA 1.689 63.956 62.300 -0.054 0.000 1.049 239 V CB -1.129 30.698 31.823 0.007 0.000 0.662 239 V HN 0.528 nan 8.190 nan 0.000 0.455 240 A N -0.690 122.194 122.820 0.106 0.000 1.929 240 A HA -0.183 4.137 4.320 0.000 0.000 0.216 240 A C 2.182 179.848 177.584 0.137 0.000 1.176 240 A CA 1.472 53.623 52.037 0.190 0.000 0.628 240 A CB -0.414 18.637 19.000 0.084 0.000 0.816 240 A HN 0.578 nan 8.150 nan 0.000 0.444 241 E N -1.403 118.829 120.200 0.053 0.000 2.070 241 E HA -0.260 4.090 4.350 0.000 0.000 0.197 241 E C 1.827 178.447 176.600 0.033 0.000 1.004 241 E CA 1.699 58.116 56.400 0.029 0.000 0.805 241 E CB -0.342 29.361 29.700 0.005 0.000 0.744 241 E HN 0.782 nan 8.360 nan 0.000 0.451 242 Y N 0.490 120.708 120.300 -0.136 0.000 2.097 242 Y HA -0.266 4.284 4.550 0.000 0.000 0.282 242 Y C 1.865 177.679 175.900 -0.143 0.000 1.152 242 Y CA 1.688 59.660 58.100 -0.213 0.000 1.136 242 Y CB -0.436 37.782 38.460 -0.403 0.000 0.975 242 Y HN -0.035 nan 8.280 nan 0.000 0.498 243 F N 0.383 120.504 119.950 0.285 0.000 2.408 243 F HA -0.115 4.412 4.527 0.000 0.000 0.300 243 F C 2.617 178.464 175.800 0.078 0.000 1.090 243 F CA 1.590 59.728 58.000 0.229 0.000 1.427 243 F CB -0.610 38.564 39.000 0.289 0.000 1.070 243 F HN 0.090 nan 8.300 nan 0.000 0.549 244 R N 0.181 120.781 120.500 0.167 0.000 2.064 244 R HA -0.065 4.275 4.340 0.000 0.000 0.221 244 R C 1.507 177.798 176.300 -0.014 0.000 1.136 244 R CA 1.538 57.679 56.100 0.067 0.000 0.980 244 R CB -0.169 30.156 30.300 0.041 0.000 0.876 244 R HN 0.080 nan 8.270 nan 0.000 0.437 245 D N 0.192 120.545 120.400 -0.078 0.000 2.214 245 D HA -0.058 4.582 4.640 0.000 0.000 0.217 245 D C 1.903 178.088 176.300 -0.192 0.000 0.973 245 D CA 0.798 54.728 54.000 -0.117 0.000 0.880 245 D CB -0.137 40.599 40.800 -0.108 0.000 1.031 245 D HN 0.114 nan 8.370 nan 0.000 0.468 246 Q N 0.413 119.977 119.800 -0.393 0.000 2.436 246 Q HA 0.012 4.352 4.340 0.000 0.000 0.209 246 Q C 0.964 176.755 176.000 -0.347 0.000 0.965 246 Q CA 0.747 56.239 55.803 -0.519 0.000 0.910 246 Q CB 0.356 28.415 28.738 -1.132 0.000 0.980 246 Q HN 0.539 nan 8.270 nan 0.000 0.491 247 E N -1.436 118.642 120.200 -0.202 0.000 2.568 247 E HA 0.177 4.527 4.350 0.000 0.000 0.220 247 E C 0.190 176.801 176.600 0.019 0.000 0.869 247 E CA 0.276 56.670 56.400 -0.009 0.000 1.268 247 E CB 0.982 30.789 29.700 0.179 0.000 1.252 247 E HN 0.246 nan 8.360 nan 0.000 0.606 248 G N 3.020 111.820 108.800 -0.000 0.000 2.367 248 G HA2 -0.290 3.670 3.960 0.000 0.000 0.295 248 G HA3 -0.290 3.670 3.960 0.000 0.000 0.295 248 G C -0.166 174.741 174.900 0.011 0.000 1.019 248 G CA 0.924 46.023 45.100 -0.001 0.000 1.224 248 G HN 0.160 nan 8.290 nan 0.000 0.510 249 Q N -0.698 119.122 119.800 0.035 0.000 3.274 249 Q HA 0.559 4.900 4.340 0.000 0.000 0.303 249 Q C -0.798 175.214 176.000 0.020 0.000 1.005 249 Q CA -0.941 54.864 55.803 0.004 0.000 0.831 249 Q CB 1.114 29.830 28.738 -0.035 0.000 1.538 249 Q HN 0.198 nan 8.270 nan 0.000 0.481 250 D N 1.312 121.722 120.400 0.017 0.000 2.485 250 D HA 0.255 4.895 4.640 0.000 0.000 0.221 250 D C -1.066 175.331 176.300 0.162 0.000 1.112 250 D CA -0.028 54.026 54.000 0.092 0.000 0.911 250 D CB 0.811 41.706 40.800 0.159 0.000 1.019 250 D HN 0.104 nan 8.370 nan 0.000 0.516 251 V N 2.411 122.374 119.914 0.081 0.000 2.546 251 V HA 0.313 4.433 4.120 0.000 0.000 0.284 251 V C 0.600 176.641 176.094 -0.088 0.000 1.050 251 V CA -0.715 61.621 62.300 0.059 0.000 0.981 251 V CB 1.318 33.206 31.823 0.108 0.000 0.990 251 V HN 0.289 nan 8.190 nan 0.000 0.474 252 L N 5.267 126.390 121.223 -0.166 0.000 2.280 252 L HA 0.512 4.852 4.340 0.000 0.000 0.287 252 L C -0.652 175.964 176.870 -0.424 0.000 1.023 252 L CA -0.497 54.105 54.840 -0.397 0.000 0.819 252 L CB 1.484 43.269 42.059 -0.457 0.000 1.212 252 L HN 0.459 nan 8.230 nan 0.000 0.420 253 L N 4.193 125.100 121.223 -0.527 0.000 2.296 253 L HA 0.594 4.934 4.340 0.000 0.000 0.286 253 L C -1.148 175.334 176.870 -0.647 0.000 1.023 253 L CA 0.175 54.767 54.840 -0.414 0.000 0.812 253 L CB 0.940 42.852 42.059 -0.246 0.000 1.223 253 L HN 0.189 nan 8.230 nan 0.000 0.421 254 F N 5.932 125.773 119.950 -0.181 0.000 2.467 254 F HA 0.624 5.151 4.527 0.000 0.000 0.336 254 F C -0.165 175.298 175.800 -0.562 0.000 1.123 254 F CA -0.519 57.304 58.000 -0.296 0.000 0.964 254 F CB 1.459 40.371 39.000 -0.146 0.000 1.136 254 F HN 0.212 nan 8.300 nan 0.000 0.447 255 I N 2.634 123.018 120.570 -0.309 0.000 2.499 255 I HA 0.398 4.568 4.170 0.000 0.000 0.288 255 I C -1.470 174.466 176.117 -0.300 0.000 1.048 255 I CA -0.526 60.541 61.300 -0.388 0.000 1.062 255 I CB 2.196 40.028 38.000 -0.280 0.000 1.238 255 I HN 0.421 nan 8.210 nan 0.000 0.426 256 D N 5.124 125.332 120.400 -0.321 0.000 2.613 256 D HA 0.268 4.908 4.640 0.000 0.000 0.230 256 D C -1.471 174.783 176.300 -0.077 0.000 1.365 256 D CA -0.312 53.612 54.000 -0.126 0.000 0.976 256 D CB 1.291 42.076 40.800 -0.026 0.000 1.415 256 D HN 0.356 nan 8.370 nan 0.000 0.589 257 N N 3.858 122.548 118.700 -0.016 0.000 2.314 257 N HA 0.248 4.988 4.740 0.000 0.000 0.294 257 N C 0.556 176.091 175.510 0.042 0.000 1.029 257 N CA -0.521 52.546 53.050 0.029 0.000 0.845 257 N CB 1.830 40.384 38.487 0.111 0.000 1.321 257 N HN 0.431 nan 8.380 nan 0.000 0.481 258 I N 3.219 123.795 120.570 0.010 0.000 2.614 258 I HA -0.070 4.101 4.170 0.000 0.000 0.258 258 I C 1.592 177.770 176.117 0.102 0.000 1.189 258 I CA 0.787 62.076 61.300 -0.018 0.000 1.462 258 I CB -0.282 37.641 38.000 -0.128 0.000 1.092 258 I HN 0.586 nan 8.210 nan 0.000 0.442 259 F N 1.272 121.252 119.950 0.051 0.000 2.206 259 F HA -0.134 4.393 4.527 0.000 0.000 0.298 259 F C 2.245 178.135 175.800 0.151 0.000 1.090 259 F CA 1.195 59.270 58.000 0.125 0.000 1.323 259 F CB -0.294 38.836 39.000 0.217 0.000 1.028 259 F HN -0.063 nan 8.300 nan 0.000 0.492 260 R N 0.013 120.562 120.500 0.081 0.000 2.241 260 R HA -0.193 4.148 4.340 0.000 0.000 0.224 260 R C 2.065 178.326 176.300 -0.065 0.000 1.101 260 R CA 1.097 57.179 56.100 -0.030 0.000 0.995 260 R CB -1.856 28.479 30.300 0.057 0.000 0.870 260 R HN 0.475 nan 8.270 nan 0.000 0.463 261 F N 1.512 121.366 119.950 -0.159 0.000 2.113 261 F HA -0.147 4.380 4.527 0.000 0.000 0.297 261 F C 1.818 177.510 175.800 -0.180 0.000 1.103 261 F CA 1.586 59.499 58.000 -0.145 0.000 1.248 261 F CB -0.094 38.828 39.000 -0.129 0.000 0.999 261 F HN -0.109 nan 8.300 nan 0.000 0.475 262 T N -0.131 114.369 114.554 -0.091 0.000 2.978 262 T HA -0.132 4.219 4.350 0.000 0.000 0.262 262 T C 1.834 176.351 174.700 -0.305 0.000 1.063 262 T CA 1.043 63.010 62.100 -0.222 0.000 1.140 262 T CB -0.213 68.553 68.868 -0.170 0.000 0.886 262 T HN 0.384 nan 8.240 nan 0.000 0.470 263 Q N 0.833 120.342 119.800 -0.485 0.000 2.050 263 Q HA -0.090 4.250 4.340 0.000 0.000 0.202 263 Q C 2.579 178.484 176.000 -0.159 0.000 0.980 263 Q CA 1.492 57.091 55.803 -0.340 0.000 0.840 263 Q CB -0.280 28.182 28.738 -0.459 0.000 0.898 263 Q HN 0.534 nan 8.270 nan 0.000 0.424 264 A N 0.405 123.113 122.820 -0.187 0.000 1.908 264 A HA -0.155 4.165 4.320 0.000 0.000 0.218 264 A C 2.223 179.708 177.584 -0.165 0.000 1.181 264 A CA 1.764 53.710 52.037 -0.151 0.000 0.627 264 A CB -1.332 17.569 19.000 -0.166 0.000 0.818 264 A HN 0.607 nan 8.150 nan 0.000 0.445 265 G N -0.590 108.063 108.800 -0.246 0.000 2.446 265 G HA2 -0.258 3.702 3.960 0.000 0.000 0.217 265 G HA3 -0.258 3.702 3.960 0.000 0.000 0.217 265 G C 1.959 176.813 174.900 -0.078 0.000 1.168 265 G CA 1.728 46.703 45.100 -0.207 0.000 0.771 265 G HN 0.708 nan 8.290 nan 0.000 0.551 266 S N 0.547 116.238 115.700 -0.014 0.000 2.387 266 S HA -0.189 4.281 4.470 0.000 0.000 0.230 266 S C 2.182 176.792 174.600 0.017 0.000 1.035 266 S CA 2.123 60.370 58.200 0.080 0.000 1.014 266 S CB -0.382 62.928 63.200 0.183 0.000 0.836 266 S HN 0.606 nan 8.310 nan 0.000 0.466 267 E N -0.034 120.157 120.200 -0.015 0.000 2.150 267 E HA -0.073 4.277 4.350 0.000 0.000 0.193 267 E C 2.149 178.737 176.600 -0.019 0.000 0.985 267 E CA 1.494 57.884 56.400 -0.017 0.000 0.814 267 E CB -0.087 29.599 29.700 -0.024 0.000 0.752 267 E HN 0.717 nan 8.360 nan 0.000 0.466 268 V N -2.186 117.709 119.914 -0.030 0.000 3.125 268 V HA 0.016 4.136 4.120 0.000 0.000 0.249 268 V C 2.216 178.301 176.094 -0.015 0.000 1.113 268 V CA 0.917 63.202 62.300 -0.026 0.000 1.106 268 V CB 0.216 32.016 31.823 -0.038 0.000 0.768 268 V HN 0.088 nan 8.190 nan 0.000 0.468 269 S N 1.516 117.209 115.700 -0.012 0.000 2.380 269 S HA -0.258 4.212 4.470 0.000 0.000 0.229 269 S C 2.159 176.763 174.600 0.008 0.000 1.043 269 S CA 2.259 60.460 58.200 0.002 0.000 1.038 269 S CB -0.565 62.647 63.200 0.019 0.000 0.872 269 S HN 0.965 nan 8.310 nan 0.000 0.456 270 A N 1.411 124.236 122.820 0.007 0.000 1.865 270 A HA -0.036 4.284 4.320 0.000 0.000 0.217 270 A C 2.225 179.812 177.584 0.005 0.000 1.191 270 A CA 1.826 53.867 52.037 0.007 0.000 0.623 270 A CB -0.940 18.061 19.000 0.003 0.000 0.826 270 A HN 0.605 nan 8.150 nan 0.000 0.444 271 L N -0.824 120.400 121.223 0.001 0.000 2.217 271 L HA -0.044 4.296 4.340 0.000 0.000 0.211 271 L C 2.341 179.213 176.870 0.003 0.000 1.107 271 L CA 0.431 55.272 54.840 0.001 0.000 0.783 271 L CB -0.492 41.566 42.059 -0.001 0.000 0.919 271 L HN 0.312 nan 8.230 nan 0.000 0.442 272 L N 0.265 121.489 121.223 0.002 0.000 2.265 272 L HA -0.103 4.237 4.340 0.000 0.000 0.215 272 L C 1.415 178.290 176.870 0.008 0.000 1.117 272 L CA 1.063 55.906 54.840 0.004 0.000 0.782 272 L CB -0.527 41.533 42.059 0.001 0.000 0.914 272 L HN 0.586 nan 8.230 nan 0.000 0.441 273 G N -0.309 108.496 108.800 0.009 0.000 2.131 273 G HA2 -0.219 3.741 3.960 0.000 0.000 0.201 273 G HA3 -0.219 3.741 3.960 0.000 0.000 0.201 273 G C 0.084 174.992 174.900 0.013 0.000 1.000 273 G CA -0.390 44.717 45.100 0.011 0.000 0.680 273 G HN 0.225 nan 8.290 nan 0.000 0.514 274 R N -0.492 120.016 120.500 0.014 0.000 2.637 274 R HA 0.712 5.052 4.340 0.000 0.000 0.269 274 R C 1.012 177.323 176.300 0.019 0.000 1.089 274 R CA -0.235 55.875 56.100 0.018 0.000 1.177 274 R CB 0.562 30.875 30.300 0.021 0.000 1.091 274 R HN 0.357 nan 8.270 nan 0.000 0.540 275 I N 2.809 123.392 120.570 0.022 0.000 2.359 275 I HA 0.318 4.488 4.170 0.000 0.000 0.294 275 I C -1.853 174.282 176.117 0.030 0.000 0.987 275 I CA -2.405 58.908 61.300 0.022 0.000 1.225 275 I CB 1.390 39.403 38.000 0.020 0.000 1.366 275 I HN 0.348 nan 8.210 nan 0.000 0.466 276 P HA 0.046 nan 4.420 nan 0.000 0.268 276 P C -0.138 177.192 177.300 0.051 0.000 1.204 276 P CA 0.094 63.218 63.100 0.040 0.000 0.768 276 P CB 1.418 33.133 31.700 0.024 0.000 0.842 277 S N 1.938 117.686 115.700 0.079 0.000 2.232 277 S HA 0.531 5.001 4.470 0.000 0.000 0.240 277 S C 0.231 174.888 174.600 0.095 0.000 1.224 277 S CA -0.132 58.122 58.200 0.090 0.000 1.019 277 S CB -0.176 63.092 63.200 0.113 0.000 1.039 277 S HN 0.610 nan 8.310 nan 0.000 0.439 278 A N 0.210 123.106 122.820 0.127 0.000 2.440 278 A HA 0.497 4.818 4.320 0.000 0.000 0.251 278 A C 0.828 178.496 177.584 0.141 0.000 1.089 278 A CA 0.147 52.258 52.037 0.123 0.000 0.779 278 A CB -0.332 18.748 19.000 0.133 0.000 1.022 278 A HN 1.478 nan 8.150 nan 0.000 0.492 279 V N 1.517 121.463 119.914 0.052 0.000 3.191 279 V HA -0.311 3.809 4.120 0.000 0.000 0.181 279 V C 1.631 177.625 176.094 -0.167 0.000 0.444 279 V CA 1.727 63.997 62.300 -0.050 0.000 1.114 279 V CB -2.321 29.474 31.823 -0.045 0.000 1.275 279 V HN 2.871 nan 8.190 nan 0.000 1.153 280 G N -2.534 106.228 108.800 -0.064 0.000 2.160 280 G HA2 -0.335 3.625 3.960 0.000 0.000 0.251 280 G HA3 -0.335 3.625 3.960 0.000 0.000 0.251 280 G C -0.208 174.658 174.900 -0.057 0.000 1.008 280 G CA 0.483 45.546 45.100 -0.063 0.000 0.724 280 G HN 0.822 nan 8.290 nan 0.000 0.514 281 Y N 0.705 121.027 120.300 0.037 0.000 2.289 281 Y HA 0.408 4.959 4.550 0.000 0.000 0.332 281 Y C 1.395 177.306 175.900 0.017 0.000 1.324 281 Y CA -0.497 57.621 58.100 0.030 0.000 1.478 281 Y CB 0.450 38.938 38.460 0.046 0.000 1.378 281 Y HN 0.449 nan 8.280 nan 0.000 0.558 282 Q N 3.504 123.449 119.800 0.242 0.000 2.300 282 Q HA 0.056 4.397 4.340 0.000 0.000 0.280 282 Q C -2.269 173.786 176.000 0.093 0.000 1.033 282 Q CA -1.492 54.377 55.803 0.110 0.000 0.903 282 Q CB 0.924 29.694 28.738 0.052 0.000 1.195 282 Q HN 0.397 nan 8.270 nan 0.000 0.386 283 P HA -0.136 nan 4.420 nan 0.000 0.222 283 P C 0.997 178.324 177.300 0.045 0.000 1.147 283 P CA 1.496 64.631 63.100 0.058 0.000 0.790 283 P CB -0.075 31.652 31.700 0.045 0.000 0.780 284 T N -3.895 110.681 114.554 0.037 0.000 3.219 284 T HA 0.112 4.462 4.350 0.000 0.000 0.249 284 T C 1.654 176.373 174.700 0.033 0.000 1.099 284 T CA -0.242 61.877 62.100 0.033 0.000 0.988 284 T CB -1.033 67.850 68.868 0.026 0.000 0.999 284 T HN -0.036 nan 8.240 nan 0.000 0.550 285 L N 0.712 121.947 121.223 0.020 0.000 2.043 285 L HA -0.105 4.236 4.340 0.000 0.000 0.212 285 L C 2.929 179.819 176.870 0.033 0.000 1.075 285 L CA 1.712 56.548 54.840 -0.007 0.000 0.752 285 L CB -0.756 41.255 42.059 -0.080 0.000 0.891 285 L HN 0.453 nan 8.230 nan 0.000 0.432 286 A N -0.579 122.269 122.820 0.047 0.000 1.873 286 A HA -0.297 4.023 4.320 0.000 0.000 0.218 286 A C 2.297 179.938 177.584 0.095 0.000 1.193 286 A CA 2.894 54.974 52.037 0.072 0.000 0.629 286 A CB -1.147 17.889 19.000 0.059 0.000 0.826 286 A HN 0.611 nan 8.150 nan 0.000 0.447 287 T N -3.835 110.766 114.554 0.079 0.000 3.031 287 T HA 0.023 4.373 4.350 0.000 0.000 0.254 287 T C 1.329 176.088 174.700 0.099 0.000 1.060 287 T CA 0.991 63.141 62.100 0.085 0.000 1.135 287 T CB -0.315 68.591 68.868 0.063 0.000 0.896 287 T HN 0.260 nan 8.240 nan 0.000 0.472 288 D N 1.204 121.668 120.400 0.106 0.000 2.149 288 D HA -0.100 4.540 4.640 0.000 0.000 0.194 288 D C 1.857 178.306 176.300 0.249 0.000 1.001 288 D CA 1.242 55.343 54.000 0.168 0.000 0.849 288 D CB -0.302 40.573 40.800 0.126 0.000 0.939 288 D HN 0.389 nan 8.370 nan 0.000 0.449 289 M N -0.332 119.359 119.600 0.152 0.000 2.193 289 M HA 0.010 4.490 4.480 0.000 0.000 0.265 289 M C 2.014 178.233 176.300 -0.135 0.000 1.071 289 M CA 1.596 56.872 55.300 -0.040 0.000 1.140 289 M CB -0.106 32.441 32.600 -0.088 0.000 1.369 289 M HN 0.043 nan 8.290 nan 0.000 0.423 290 G N 0.064 108.907 108.800 0.072 0.000 2.511 290 G HA2 -0.310 3.650 3.960 0.000 0.000 0.216 290 G HA3 -0.310 3.650 3.960 0.000 0.000 0.216 290 G C 1.417 176.377 174.900 0.101 0.000 1.218 290 G CA 1.878 47.108 45.100 0.216 0.000 0.788 290 G HN 0.566 nan 8.290 nan 0.000 0.560 291 T N -1.283 113.314 114.554 0.071 0.000 2.803 291 T HA -0.169 4.182 4.350 0.000 0.000 0.269 291 T C 2.221 176.926 174.700 0.010 0.000 1.052 291 T CA 1.931 64.063 62.100 0.054 0.000 1.136 291 T CB -0.220 68.693 68.868 0.075 0.000 0.864 291 T HN 0.197 nan 8.240 nan 0.000 0.467 292 M N 0.127 119.699 119.600 -0.046 0.000 2.193 292 M HA 0.009 4.489 4.480 0.000 0.000 0.265 292 M C 2.278 178.447 176.300 -0.218 0.000 1.071 292 M CA 1.423 56.628 55.300 -0.158 0.000 1.140 292 M CB -0.601 31.806 32.600 -0.322 0.000 1.369 292 M HN 0.213 nan 8.290 nan 0.000 0.423 293 Q N 0.428 120.079 119.800 -0.249 0.000 2.123 293 Q HA -0.094 4.247 4.340 0.000 0.000 0.199 293 Q C 1.758 177.721 176.000 -0.063 0.000 0.966 293 Q CA 1.103 56.764 55.803 -0.237 0.000 0.845 293 Q CB -0.210 28.256 28.738 -0.453 0.000 0.907 293 Q HN 0.596 nan 8.270 nan 0.000 0.439 294 E N 0.496 120.707 120.200 0.018 0.000 2.338 294 E HA -0.134 4.216 4.350 0.000 0.000 0.197 294 E C 1.886 178.483 176.600 -0.004 0.000 1.007 294 E CA 0.461 56.885 56.400 0.041 0.000 0.849 294 E CB 0.038 29.776 29.700 0.063 0.000 0.774 294 E HN 0.297 nan 8.360 nan 0.000 0.506 295 R N 0.350 120.832 120.500 -0.030 0.000 2.073 295 R HA 0.033 4.373 4.340 0.000 0.000 0.229 295 R C 1.159 177.428 176.300 -0.053 0.000 1.120 295 R CA 0.475 56.552 56.100 -0.038 0.000 0.967 295 R CB -0.189 30.082 30.300 -0.047 0.000 0.862 295 R HN 0.069 nan 8.270 nan 0.000 0.436 296 I N 2.025 122.548 120.570 -0.079 0.000 2.624 296 I HA -0.047 4.123 4.170 0.000 0.000 0.307 296 I C 0.231 176.303 176.117 -0.074 0.000 1.191 296 I CA 0.598 61.843 61.300 -0.093 0.000 1.708 296 I CB -0.118 37.801 38.000 -0.136 0.000 1.521 296 I HN 0.031 nan 8.210 nan 0.000 0.805 297 T N 2.703 117.221 114.554 -0.060 0.000 2.802 297 T HA 0.317 4.668 4.350 0.000 0.000 0.311 297 T C -0.426 174.244 174.700 -0.050 0.000 1.405 297 T CA -0.465 61.603 62.100 -0.053 0.000 1.016 297 T CB 1.660 70.503 68.868 -0.040 0.000 1.352 297 T HN 0.249 nan 8.240 nan 0.000 0.498 298 T N 3.107 117.630 114.554 -0.050 0.000 2.780 298 T HA 0.574 4.924 4.350 0.000 0.000 0.294 298 T C 0.433 175.104 174.700 -0.049 0.000 0.949 298 T CA -0.315 61.758 62.100 -0.046 0.000 1.074 298 T CB 0.669 69.510 68.868 -0.045 0.000 0.910 298 T HN 0.826 nan 8.240 nan 0.000 0.501 299 T N 0.631 115.159 114.554 -0.044 0.000 2.870 299 T HA 0.465 4.815 4.350 0.000 0.000 0.277 299 T C 1.052 175.724 174.700 -0.047 0.000 1.000 299 T CA -1.052 61.018 62.100 -0.050 0.000 0.982 299 T CB 1.300 70.143 68.868 -0.043 0.000 1.249 299 T HN 0.381 nan 8.240 nan 0.000 0.589 300 K N -0.272 120.099 120.400 -0.050 0.000 2.439 300 K HA 0.072 4.393 4.320 0.000 0.000 0.197 300 K C 1.910 178.490 176.600 -0.034 0.000 1.041 300 K CA 0.568 56.829 56.287 -0.043 0.000 0.970 300 K CB 0.008 32.480 32.500 -0.045 0.000 0.773 300 K HN 0.499 nan 8.250 nan 0.000 0.479 301 K N -0.046 120.334 120.400 -0.034 0.000 2.334 301 K HA 0.045 4.365 4.320 0.000 0.000 0.195 301 K C 0.388 176.972 176.600 -0.026 0.000 1.045 301 K CA 0.340 56.608 56.287 -0.032 0.000 1.004 301 K CB 0.769 33.246 32.500 -0.038 0.000 0.837 301 K HN 0.170 nan 8.250 nan 0.000 0.510 302 G N -0.636 108.151 108.800 -0.022 0.000 2.550 302 G HA2 0.315 4.276 3.960 0.000 0.000 0.293 302 G HA3 0.315 4.276 3.960 0.000 0.000 0.293 302 G C -1.661 173.232 174.900 -0.012 0.000 1.402 302 G CA -0.645 44.449 45.100 -0.010 0.000 0.784 302 G HN 0.067 nan 8.290 nan 0.000 0.482 303 S N -0.867 114.832 115.700 -0.003 0.000 2.557 303 S HA 0.774 5.245 4.470 0.000 0.000 0.291 303 S C -0.868 173.722 174.600 -0.016 0.000 1.116 303 S CA -0.699 57.493 58.200 -0.014 0.000 0.992 303 S CB 1.645 64.837 63.200 -0.013 0.000 1.028 303 S HN 0.655 nan 8.310 nan 0.000 0.484 304 I N 2.745 123.290 120.570 -0.042 0.000 2.382 304 I HA 0.285 4.455 4.170 0.000 0.000 0.286 304 I C -0.338 175.708 176.117 -0.119 0.000 1.002 304 I CA -0.469 60.786 61.300 -0.075 0.000 1.135 304 I CB 2.102 40.060 38.000 -0.070 0.000 1.288 304 I HN 0.650 nan 8.210 nan 0.000 0.448 305 T N 4.331 118.783 114.554 -0.171 0.000 2.747 305 T HA 0.202 4.552 4.350 0.000 0.000 0.301 305 T C 0.205 174.704 174.700 -0.334 0.000 0.952 305 T CA -0.510 61.459 62.100 -0.219 0.000 0.983 305 T CB 0.289 69.025 68.868 -0.220 0.000 0.930 305 T HN 0.649 nan 8.240 nan 0.000 0.494 306 S N 2.648 118.176 115.700 -0.287 0.000 2.448 306 S HA 0.539 5.009 4.470 0.000 0.000 0.320 306 S C -0.283 174.119 174.600 -0.330 0.000 1.071 306 S CA -0.814 57.193 58.200 -0.322 0.000 1.113 306 S CB 0.743 63.803 63.200 -0.233 0.000 0.972 306 S HN 0.363 nan 8.310 nan 0.000 0.465 307 V N 4.492 124.180 119.914 -0.376 0.000 2.328 307 V HA 0.400 4.520 4.120 0.000 0.000 0.278 307 V C -0.327 175.661 176.094 -0.176 0.000 1.021 307 V CA -0.396 61.755 62.300 -0.249 0.000 0.838 307 V CB 0.784 32.566 31.823 -0.069 0.000 0.999 307 V HN 0.934 nan 8.190 nan 0.000 0.447 308 Q N 3.581 123.252 119.800 -0.215 0.000 2.339 308 Q HA 0.696 5.036 4.340 0.000 0.000 0.268 308 Q C -0.228 175.638 176.000 -0.223 0.000 1.027 308 Q CA -0.411 55.263 55.803 -0.216 0.000 0.759 308 Q CB 2.269 30.858 28.738 -0.248 0.000 1.244 308 Q HN 0.850 nan 8.270 nan 0.000 0.464 309 A N 3.642 126.372 122.820 -0.151 0.000 2.409 309 A HA 0.538 4.858 4.320 0.000 0.000 0.262 309 A C -0.370 177.142 177.584 -0.121 0.000 1.113 309 A CA -0.215 51.752 52.037 -0.117 0.000 0.790 309 A CB 0.102 19.089 19.000 -0.022 0.000 1.046 309 A HN 0.776 nan 8.150 nan 0.000 0.496 310 I N 2.839 123.306 120.570 -0.173 0.000 2.420 310 I HA 0.154 4.324 4.170 0.000 0.000 0.282 310 I C -0.702 175.417 176.117 0.004 0.000 1.019 310 I CA -0.506 60.706 61.300 -0.146 0.000 1.130 310 I CB 1.148 38.840 38.000 -0.513 0.000 1.262 310 I HN 0.712 nan 8.210 nan 0.000 0.454 311 Y N 7.561 127.838 120.300 -0.038 0.000 2.465 311 Y HA 0.331 4.881 4.550 0.000 0.000 0.331 311 Y C -0.355 175.337 175.900 -0.347 0.000 1.102 311 Y CA -0.215 57.791 58.100 -0.156 0.000 1.358 311 Y CB 0.714 39.079 38.460 -0.158 0.000 1.213 311 Y HN 0.287 nan 8.280 nan 0.000 0.525 312 V N 9.700 129.102 119.914 -0.852 0.000 2.370 312 V HA 0.334 4.454 4.120 0.000 0.000 0.279 312 V C -2.209 173.171 176.094 -1.190 0.000 1.029 312 V CA -1.951 59.898 62.300 -0.752 0.000 0.870 312 V CB 1.007 32.660 31.823 -0.282 0.000 0.984 312 V HN 0.710 nan 8.190 nan 0.000 0.451 313 P HA 0.382 nan 4.420 nan 0.000 0.293 313 P C 0.189 177.369 177.300 -0.200 0.000 1.300 313 P CA 0.084 62.878 63.100 -0.509 0.000 0.792 313 P CB 1.475 33.075 31.700 -0.167 0.000 0.925 314 A N 3.771 126.525 122.820 -0.111 0.000 2.832 314 A HA -0.217 4.103 4.320 0.000 0.000 0.280 314 A C 0.844 178.393 177.584 -0.058 0.000 1.464 314 A CA 0.987 52.999 52.037 -0.043 0.000 0.804 314 A CB -2.750 16.246 19.000 -0.006 0.000 1.020 314 A HN 0.586 nan 8.150 nan 0.000 0.563 315 D N -1.441 118.898 120.400 -0.103 0.000 2.931 315 D HA -0.210 4.430 4.640 0.000 0.000 0.228 315 D C -0.093 176.176 176.300 -0.052 0.000 1.180 315 D CA 2.088 56.041 54.000 -0.077 0.000 0.784 315 D CB -0.980 39.799 40.800 -0.036 0.000 1.093 315 D HN 0.942 nan 8.370 nan 0.000 0.421 316 D N 0.084 120.451 120.400 -0.054 0.000 2.441 316 D HA 0.209 4.849 4.640 0.000 0.000 0.221 316 D C 1.359 177.661 176.300 0.002 0.000 1.156 316 D CA -0.321 53.670 54.000 -0.016 0.000 0.896 316 D CB 0.091 40.894 40.800 0.005 0.000 1.028 316 D HN 0.128 nan 8.370 nan 0.000 0.509 317 L N 2.475 123.701 121.223 0.005 0.000 2.633 317 L HA -0.048 4.293 4.340 0.000 0.000 0.235 317 L C 2.087 178.988 176.870 0.053 0.000 1.163 317 L CA 1.088 55.949 54.840 0.034 0.000 0.859 317 L CB -0.211 41.850 42.059 0.003 0.000 0.973 317 L HN 0.478 nan 8.230 nan 0.000 0.451 318 T N -5.565 109.013 114.554 0.040 0.000 3.060 318 T HA -0.017 4.334 4.350 0.000 0.000 0.249 318 T C 0.779 175.537 174.700 0.097 0.000 1.079 318 T CA -0.483 61.647 62.100 0.049 0.000 1.013 318 T CB -0.148 68.734 68.868 0.024 0.000 0.975 318 T HN 0.144 nan 8.240 nan 0.000 0.518 319 D N 3.014 123.487 120.400 0.121 0.000 2.533 319 D HA 0.022 4.662 4.640 0.000 0.000 0.236 319 D C -1.499 174.939 176.300 0.229 0.000 1.137 319 D CA -1.276 52.845 54.000 0.201 0.000 0.867 319 D CB 1.495 42.426 40.800 0.218 0.000 1.170 319 D HN 0.030 nan 8.370 nan 0.000 0.474 320 P HA -0.173 nan 4.420 nan 0.000 0.218 320 P C 0.709 178.033 177.300 0.040 0.000 1.146 320 P CA 1.580 64.762 63.100 0.136 0.000 0.820 320 P CB 0.192 31.979 31.700 0.145 0.000 0.778 321 A N 0.334 123.194 122.820 0.066 0.000 1.832 321 A HA -0.051 4.270 4.320 0.000 0.000 0.214 321 A C -0.099 177.621 177.584 0.228 0.000 1.204 321 A CA 1.649 53.746 52.037 0.100 0.000 0.606 321 A CB -2.048 17.165 19.000 0.355 0.000 0.849 321 A HN 0.200 nan 8.150 nan 0.000 0.445 322 P HA -0.045 nan 4.420 nan 0.000 0.221 322 P C 1.343 178.874 177.300 0.385 0.000 1.150 322 P CA 1.744 65.037 63.100 0.322 0.000 0.800 322 P CB -0.077 31.786 31.700 0.272 0.000 0.787 323 A N -0.251 122.774 122.820 0.340 0.000 2.016 323 A HA -0.040 4.280 4.320 0.000 0.000 0.217 323 A C 2.143 179.942 177.584 0.358 0.000 1.162 323 A CA 1.643 53.911 52.037 0.385 0.000 0.662 323 A CB -1.545 17.567 19.000 0.188 0.000 0.812 323 A HN 0.165 nan 8.150 nan 0.000 0.450 324 T N -0.363 114.347 114.554 0.260 0.000 3.014 324 T HA -0.043 4.307 4.350 0.000 0.000 0.263 324 T C 1.833 176.719 174.700 0.309 0.000 1.078 324 T CA 1.586 63.825 62.100 0.231 0.000 1.135 324 T CB -0.229 68.729 68.868 0.149 0.000 0.895 324 T HN 0.528 nan 8.240 nan 0.000 0.480 325 T N 1.809 116.532 114.554 0.281 0.000 2.867 325 T HA 0.030 4.380 4.350 0.000 0.000 0.268 325 T C 1.493 176.360 174.700 0.278 0.000 1.057 325 T CA 0.691 62.916 62.100 0.209 0.000 1.136 325 T CB -0.483 68.429 68.868 0.074 0.000 0.874 325 T HN 0.290 nan 8.240 nan 0.000 0.466 326 F N 2.200 122.362 119.950 0.352 0.000 2.091 326 F HA -0.142 4.385 4.527 0.000 0.000 0.299 326 F C 2.745 178.650 175.800 0.174 0.000 1.103 326 F CA 1.141 59.308 58.000 0.278 0.000 1.228 326 F CB -0.890 38.170 39.000 0.099 0.000 0.984 326 F HN 0.146 nan 8.300 nan 0.000 0.477 327 A N -1.239 121.771 122.820 0.316 0.000 2.076 327 A HA -0.216 4.104 4.320 0.000 0.000 0.220 327 A C 1.690 179.263 177.584 -0.018 0.000 1.160 327 A CA 1.675 53.774 52.037 0.104 0.000 0.653 327 A CB -1.038 17.969 19.000 0.011 0.000 0.801 327 A HN 0.550 nan 8.150 nan 0.000 0.455 328 H N -1.534 117.585 119.070 0.082 0.000 2.526 328 H HA 0.350 4.906 4.556 0.000 0.000 0.274 328 H C -0.218 175.118 175.328 0.014 0.000 0.999 328 H CA 0.131 56.194 56.048 0.026 0.000 1.157 328 H CB 0.037 29.789 29.762 -0.016 0.000 1.407 328 H HN 0.327 nan 8.280 nan 0.000 0.568 329 L N 0.141 121.448 121.223 0.139 0.000 2.333 329 L HA 0.184 4.524 4.340 0.000 0.000 0.269 329 L C 0.754 177.678 176.870 0.091 0.000 1.010 329 L CA -0.578 54.322 54.840 0.098 0.000 0.818 329 L CB 2.123 44.250 42.059 0.112 0.000 1.306 329 L HN -0.064 nan 8.230 nan 0.000 0.430 330 D N 0.750 121.189 120.400 0.064 0.000 2.338 330 D HA 0.167 4.807 4.640 0.000 0.000 0.224 330 D C 0.173 176.536 176.300 0.105 0.000 0.967 330 D CA 0.619 54.659 54.000 0.068 0.000 0.896 330 D CB 0.832 41.655 40.800 0.039 0.000 1.028 330 D HN 0.481 nan 8.370 nan 0.000 0.493 331 A N 0.827 123.720 122.820 0.121 0.000 2.343 331 A HA 0.546 4.866 4.320 0.000 0.000 0.308 331 A C -0.329 177.379 177.584 0.207 0.000 1.092 331 A CA -0.558 51.595 52.037 0.194 0.000 0.751 331 A CB 1.226 20.419 19.000 0.321 0.000 1.203 331 A HN -0.001 nan 8.150 nan 0.000 0.452 332 T N -0.308 114.406 114.554 0.267 0.000 2.772 332 T HA 0.630 4.981 4.350 0.000 0.000 0.288 332 T C -0.400 174.502 174.700 0.338 0.000 0.994 332 T CA -0.415 61.897 62.100 0.354 0.000 0.951 332 T CB 0.973 70.133 68.868 0.488 0.000 0.933 332 T HN 0.378 nan 8.240 nan 0.000 0.447 333 T N 3.952 118.713 114.554 0.344 0.000 2.821 333 T HA 0.445 4.795 4.350 0.000 0.000 0.307 333 T C -0.024 174.865 174.700 0.314 0.000 1.034 333 T CA -0.513 61.770 62.100 0.305 0.000 0.953 333 T CB 0.618 69.690 68.868 0.341 0.000 0.968 333 T HN 0.649 nan 8.240 nan 0.000 0.462 334 V N 5.702 125.779 119.914 0.271 0.000 2.383 334 V HA 0.376 4.496 4.120 0.000 0.000 0.275 334 V C 0.171 176.368 176.094 0.173 0.000 1.036 334 V CA -0.776 61.674 62.300 0.250 0.000 0.889 334 V CB 0.843 32.764 31.823 0.163 0.000 0.985 334 V HN 0.732 nan 8.190 nan 0.000 0.459 335 L N 4.255 125.583 121.223 0.175 0.000 2.292 335 L HA 0.513 4.853 4.340 0.000 0.000 0.284 335 L C 0.433 177.356 176.870 0.089 0.000 1.065 335 L CA 0.369 55.285 54.840 0.127 0.000 0.806 335 L CB 1.654 43.800 42.059 0.146 0.000 1.175 335 L HN 0.693 nan 8.230 nan 0.000 0.431 336 S N 2.569 118.299 115.700 0.050 0.000 2.473 336 S HA 0.356 4.826 4.470 0.000 0.000 0.307 336 S C 0.824 175.428 174.600 0.006 0.000 1.094 336 S CA -0.721 57.494 58.200 0.025 0.000 1.070 336 S CB 1.559 64.767 63.200 0.013 0.000 1.019 336 S HN 0.729 nan 8.310 nan 0.000 0.480 337 R N 3.382 123.890 120.500 0.013 0.000 2.073 337 R HA -0.077 4.264 4.340 0.000 0.000 0.234 337 R C 2.180 178.477 176.300 -0.005 0.000 1.134 337 R CA 1.856 57.964 56.100 0.014 0.000 0.952 337 R CB -0.725 29.588 30.300 0.023 0.000 0.850 337 R HN 0.787 nan 8.270 nan 0.000 0.433 338 A N 1.565 124.380 122.820 -0.008 0.000 1.892 338 A HA -0.192 4.128 4.320 0.000 0.000 0.218 338 A C 2.079 179.646 177.584 -0.028 0.000 1.188 338 A CA 1.636 53.665 52.037 -0.013 0.000 0.631 338 A CB -0.550 18.442 19.000 -0.013 0.000 0.822 338 A HN 0.318 nan 8.150 nan 0.000 0.447 339 I N -0.115 120.431 120.570 -0.040 0.000 2.179 339 I HA -0.245 3.925 4.170 0.000 0.000 0.242 339 I C 2.941 178.964 176.117 -0.157 0.000 1.088 339 I CA 1.539 62.797 61.300 -0.068 0.000 1.357 339 I CB -1.811 36.154 38.000 -0.057 0.000 1.051 339 I HN 0.366 nan 8.210 nan 0.000 0.409 340 A N 0.686 123.389 122.820 -0.195 0.000 1.902 340 A HA -0.197 4.124 4.320 0.000 0.000 0.217 340 A C 2.193 179.671 177.584 -0.177 0.000 1.181 340 A CA 1.493 53.309 52.037 -0.369 0.000 0.623 340 A CB -0.682 18.224 19.000 -0.157 0.000 0.818 340 A HN 0.496 nan 8.150 nan 0.000 0.443 341 E N -0.558 119.615 120.200 -0.045 0.000 2.418 341 E HA 0.022 4.373 4.350 0.000 0.000 0.197 341 E C 1.096 177.704 176.600 0.013 0.000 1.026 341 E CA 0.185 56.596 56.400 0.019 0.000 0.862 341 E CB -0.128 29.588 29.700 0.026 0.000 0.799 341 E HN 0.581 nan 8.360 nan 0.000 0.518 342 L N -0.109 121.102 121.223 -0.019 0.000 2.612 342 L HA 0.122 4.462 4.340 0.000 0.000 0.230 342 L C 1.129 178.008 176.870 0.015 0.000 1.140 342 L CA 0.094 54.932 54.840 -0.003 0.000 0.896 342 L CB 0.046 42.103 42.059 -0.004 0.000 1.065 342 L HN 0.220 nan 8.230 nan 0.000 0.447 343 G N 1.060 109.877 108.800 0.028 0.000 2.179 343 G HA2 -0.303 3.657 3.960 0.000 0.000 0.257 343 G HA3 -0.303 3.657 3.960 0.000 0.000 0.257 343 G C 0.177 175.194 174.900 0.195 0.000 1.010 343 G CA -0.014 45.189 45.100 0.172 0.000 0.736 343 G HN 0.348 nan 8.290 nan 0.000 0.513 344 I N 0.238 120.762 120.570 -0.077 0.000 2.325 344 I HA 0.510 4.680 4.170 0.000 0.000 0.291 344 I C -0.186 175.712 176.117 -0.365 0.000 1.019 344 I CA -0.737 60.529 61.300 -0.057 0.000 1.302 344 I CB 0.706 38.689 38.000 -0.029 0.000 1.401 344 I HN 0.058 nan 8.210 nan 0.000 0.485 345 Y N 7.088 127.388 120.300 0.001 0.000 2.457 345 Y HA 0.380 4.930 4.550 0.000 0.000 0.343 345 Y C -2.311 173.427 175.900 -0.270 0.000 0.994 345 Y CA -2.637 55.408 58.100 -0.091 0.000 1.031 345 Y CB 1.957 40.374 38.460 -0.072 0.000 1.246 345 Y HN 0.393 nan 8.280 nan 0.000 0.449 346 P HA 0.078 nan 4.420 nan 0.000 0.268 346 P C -0.238 177.068 177.300 0.011 0.000 1.205 346 P CA -0.054 63.048 63.100 0.004 0.000 0.771 346 P CB 1.060 32.786 31.700 0.044 0.000 0.858 347 A N 3.772 126.601 122.820 0.015 0.000 2.604 347 A HA 0.174 4.494 4.320 0.000 0.000 0.248 347 A C 0.497 178.086 177.584 0.009 0.000 1.466 347 A CA -0.216 51.767 52.037 -0.090 0.000 1.222 347 A CB -1.148 17.753 19.000 -0.165 0.000 0.945 347 A HN 0.382 nan 8.150 nan 0.000 0.600 348 V N 1.511 121.449 119.914 0.039 0.000 2.427 348 V HA 0.034 4.155 4.120 0.000 0.000 0.268 348 V C 0.463 176.581 176.094 0.040 0.000 1.046 348 V CA -0.646 61.694 62.300 0.067 0.000 0.970 348 V CB 0.919 32.795 31.823 0.088 0.000 1.001 348 V HN 0.583 nan 8.190 nan 0.000 0.476 349 D N 8.632 129.061 120.400 0.047 0.000 2.412 349 D HA 0.062 4.702 4.640 0.000 0.000 0.257 349 D C -1.469 174.847 176.300 0.027 0.000 1.217 349 D CA -1.405 52.614 54.000 0.031 0.000 0.897 349 D CB 1.732 42.551 40.800 0.032 0.000 1.132 349 D HN 0.326 nan 8.370 nan 0.000 0.493 350 P HA 0.065 nan 4.420 nan 0.000 0.253 350 P C 0.839 178.131 177.300 -0.013 0.000 1.260 350 P CA 0.274 63.368 63.100 -0.009 0.000 0.800 350 P CB 0.346 32.033 31.700 -0.021 0.000 1.162 351 L N -1.874 119.348 121.223 -0.003 0.000 3.128 351 L HA 0.276 4.616 4.340 0.000 0.000 0.277 351 L C 1.518 178.382 176.870 -0.009 0.000 1.171 351 L CA 0.270 55.103 54.840 -0.011 0.000 1.008 351 L CB 0.238 42.290 42.059 -0.013 0.000 1.442 351 L HN -0.168 nan 8.230 nan 0.000 0.584 352 D N -0.305 120.098 120.400 0.004 0.000 2.355 352 D HA 0.050 4.690 4.640 0.000 0.000 0.206 352 D C 0.617 176.944 176.300 0.044 0.000 1.010 352 D CA 0.370 54.371 54.000 0.003 0.000 0.875 352 D CB 0.597 41.397 40.800 0.000 0.000 0.966 352 D HN -0.042 nan 8.370 nan 0.000 0.512 353 S N 0.037 115.777 115.700 0.067 0.000 2.545 353 S HA 0.484 4.954 4.470 0.000 0.000 0.275 353 S C -0.018 174.635 174.600 0.089 0.000 1.299 353 S CA -0.406 57.860 58.200 0.111 0.000 1.048 353 S CB 1.274 64.540 63.200 0.111 0.000 0.938 353 S HN 0.314 nan 8.310 nan 0.000 0.496 354 T N -0.504 114.125 114.554 0.125 0.000 2.903 354 T HA 0.695 5.045 4.350 0.000 0.000 0.299 354 T C -0.683 174.091 174.700 0.124 0.000 1.093 354 T CA -0.845 61.315 62.100 0.100 0.000 1.002 354 T CB 1.790 70.708 68.868 0.084 0.000 1.127 354 T HN 0.363 nan 8.240 nan 0.000 0.488 355 S N -0.296 115.460 115.700 0.093 0.000 2.532 355 S HA 0.393 4.863 4.470 0.000 0.000 0.299 355 S C 0.874 175.519 174.600 0.074 0.000 1.105 355 S CA -0.907 57.350 58.200 0.096 0.000 1.018 355 S CB 1.284 64.530 63.200 0.077 0.000 1.021 355 S HN 0.733 nan 8.310 nan 0.000 0.483 356 R N 2.923 123.466 120.500 0.073 0.000 2.285 356 R HA 0.033 4.373 4.340 0.000 0.000 0.213 356 R C 1.174 177.496 176.300 0.037 0.000 1.068 356 R CA 0.884 57.016 56.100 0.053 0.000 1.004 356 R CB -0.185 30.144 30.300 0.048 0.000 0.873 356 R HN 0.596 nan 8.270 nan 0.000 0.467 357 I N 0.049 120.639 120.570 0.033 0.000 2.876 357 I HA -0.051 4.119 4.170 0.000 0.000 0.264 357 I C 0.999 177.115 176.117 -0.002 0.000 1.204 357 I CA 0.299 61.603 61.300 0.007 0.000 1.485 357 I CB -0.526 37.475 38.000 0.001 0.000 1.103 357 I HN 0.152 nan 8.210 nan 0.000 0.446 358 M N 2.546 122.164 119.600 0.030 0.000 2.982 358 M HA -0.009 4.471 4.480 0.000 0.000 0.293 358 M C -0.751 175.646 176.300 0.162 0.000 1.611 358 M CA 0.441 55.797 55.300 0.094 0.000 1.576 358 M CB -1.168 31.494 32.600 0.103 0.000 1.555 358 M HN 0.053 nan 8.290 nan 0.000 0.485 359 D N 5.112 125.538 120.400 0.043 0.000 2.764 359 D HA 0.355 4.995 4.640 0.000 0.000 0.227 359 D C -2.295 173.870 176.300 -0.225 0.000 1.347 359 D CA -1.317 52.598 54.000 -0.142 0.000 0.953 359 D CB 1.895 42.644 40.800 -0.086 0.000 1.476 359 D HN 0.151 nan 8.370 nan 0.000 0.585 360 P HA -0.157 nan 4.420 nan 0.000 0.218 360 P C 0.636 177.849 177.300 -0.146 0.000 1.146 360 P CA 0.824 63.742 63.100 -0.304 0.000 0.813 360 P CB 0.320 31.762 31.700 -0.431 0.000 0.778 361 N N -0.736 117.875 118.700 -0.148 0.000 2.573 361 N HA -0.032 4.708 4.740 0.000 0.000 0.187 361 N C 1.697 177.172 175.510 -0.058 0.000 1.107 361 N CA 0.790 53.788 53.050 -0.086 0.000 0.918 361 N CB -0.307 38.131 38.487 -0.080 0.000 0.966 361 N HN 0.357 nan 8.380 nan 0.000 0.448 362 I N -1.050 119.482 120.570 -0.062 0.000 3.632 362 I HA -0.039 4.131 4.170 0.000 0.000 0.246 362 I C 1.779 177.873 176.117 -0.039 0.000 1.125 362 I CA 0.127 61.401 61.300 -0.043 0.000 1.519 362 I CB -0.241 37.733 38.000 -0.043 0.000 1.555 362 I HN -0.152 nan 8.210 nan 0.000 0.452 363 V N -0.030 119.840 119.914 -0.074 0.000 3.141 363 V HA 0.336 4.457 4.120 0.000 0.000 0.265 363 V C 0.930 177.037 176.094 0.021 0.000 1.126 363 V CA 0.370 62.605 62.300 -0.107 0.000 1.141 363 V CB -1.764 29.794 31.823 -0.441 0.000 0.743 363 V HN 0.636 nan 8.190 nan 0.000 0.492 364 G N 0.634 109.451 108.800 0.027 0.000 2.907 364 G HA2 -0.072 3.889 3.960 0.000 0.000 0.686 364 G HA3 -0.072 3.889 3.960 0.000 0.000 0.686 364 G C 0.331 175.296 174.900 0.108 0.000 1.115 364 G CA 0.237 45.377 45.100 0.067 0.000 0.760 364 G HN 1.253 nan 8.290 nan 0.000 0.620 365 S N 0.004 115.750 115.700 0.077 0.000 2.442 365 S HA -0.094 4.376 4.470 0.000 0.000 0.236 365 S C 1.652 176.353 174.600 0.169 0.000 1.007 365 S CA 1.814 60.080 58.200 0.109 0.000 0.965 365 S CB 0.039 63.272 63.200 0.055 0.000 0.773 365 S HN 0.852 nan 8.310 nan 0.000 0.504 366 E N 0.667 120.953 120.200 0.144 0.000 2.072 366 E HA -0.203 4.147 4.350 0.000 0.000 0.190 366 E C 1.977 178.679 176.600 0.170 0.000 0.982 366 E CA 0.886 57.365 56.400 0.132 0.000 0.803 366 E CB -0.264 29.494 29.700 0.097 0.000 0.755 366 E HN 0.876 nan 8.360 nan 0.000 0.453 367 H N -1.210 117.916 119.070 0.093 0.000 2.293 367 H HA -0.201 4.355 4.556 0.000 0.000 0.300 367 H C 2.081 177.467 175.328 0.097 0.000 1.082 367 H CA 1.855 57.953 56.048 0.085 0.000 1.308 367 H CB -0.121 29.689 29.762 0.080 0.000 1.375 367 H HN 0.203 nan 8.280 nan 0.000 0.495 368 Y N 1.398 121.818 120.300 0.200 0.000 2.165 368 Y HA -0.234 4.317 4.550 0.000 0.000 0.286 368 Y C 1.811 177.759 175.900 0.080 0.000 1.155 368 Y CA 1.946 60.105 58.100 0.100 0.000 1.164 368 Y CB -0.155 38.327 38.460 0.036 0.000 0.978 368 Y HN 0.348 nan 8.280 nan 0.000 0.513 369 D N -1.005 119.494 120.400 0.165 0.000 2.312 369 D HA -0.089 4.552 4.640 0.000 0.000 0.211 369 D C 2.110 178.414 176.300 0.007 0.000 0.964 369 D CA 0.977 55.015 54.000 0.064 0.000 0.877 369 D CB 0.173 41.042 40.800 0.115 0.000 0.924 369 D HN 0.323 nan 8.370 nan 0.000 0.515 370 V N 0.740 120.668 119.914 0.024 0.000 2.725 370 V HA 0.022 4.142 4.120 0.000 0.000 0.247 370 V C 2.415 178.481 176.094 -0.047 0.000 1.058 370 V CA 1.160 63.465 62.300 0.008 0.000 1.080 370 V CB -0.193 31.647 31.823 0.030 0.000 0.713 370 V HN 0.111 nan 8.190 nan 0.000 0.465 371 A N 0.172 122.955 122.820 -0.062 0.000 1.929 371 A HA -0.108 4.213 4.320 0.000 0.000 0.216 371 A C 2.280 179.759 177.584 -0.175 0.000 1.176 371 A CA 1.097 53.065 52.037 -0.114 0.000 0.628 371 A CB -0.303 18.666 19.000 -0.052 0.000 0.816 371 A HN 0.351 nan 8.150 nan 0.000 0.444 372 R N -0.360 119.990 120.500 -0.251 0.000 2.153 372 R HA -0.010 4.330 4.340 0.000 0.000 0.218 372 R C 2.176 178.402 176.300 -0.124 0.000 1.072 372 R CA 1.037 56.990 56.100 -0.246 0.000 0.990 372 R CB -1.314 28.766 30.300 -0.367 0.000 0.889 372 R HN 0.511 nan 8.270 nan 0.000 0.452 373 G N -0.043 108.706 108.800 -0.085 0.000 2.396 373 G HA2 -0.124 3.836 3.960 0.000 0.000 0.214 373 G HA3 -0.124 3.836 3.960 0.000 0.000 0.214 373 G C 1.488 176.370 174.900 -0.030 0.000 1.166 373 G CA 0.269 45.346 45.100 -0.039 0.000 0.793 373 G HN 0.130 nan 8.290 nan 0.000 0.533 374 V N 0.491 120.379 119.914 -0.044 0.000 2.427 374 V HA -0.206 3.914 4.120 0.000 0.000 0.248 374 V C 2.874 178.940 176.094 -0.046 0.000 1.051 374 V CA 2.044 64.319 62.300 -0.042 0.000 1.048 374 V CB -0.393 31.360 31.823 -0.117 0.000 0.666 374 V HN 0.397 nan 8.190 nan 0.000 0.456 375 Q N -0.520 119.240 119.800 -0.067 0.000 2.119 375 Q HA -0.201 4.139 4.340 0.000 0.000 0.201 375 Q C 2.416 178.400 176.000 -0.027 0.000 0.972 375 Q CA 1.393 57.165 55.803 -0.052 0.000 0.847 375 Q CB -0.162 28.532 28.738 -0.072 0.000 0.903 375 Q HN 0.520 nan 8.270 nan 0.000 0.433 376 K N 0.940 121.323 120.400 -0.030 0.000 2.057 376 K HA -0.132 4.189 4.320 0.000 0.000 0.206 376 K C 1.938 178.543 176.600 0.008 0.000 1.050 376 K CA 0.917 57.196 56.287 -0.012 0.000 0.935 376 K CB -0.098 32.392 32.500 -0.016 0.000 0.715 376 K HN 0.206 nan 8.250 nan 0.000 0.439 377 I N 0.938 121.514 120.570 0.010 0.000 2.493 377 I HA -0.223 3.947 4.170 0.000 0.000 0.254 377 I C 1.808 177.961 176.117 0.061 0.000 1.160 377 I CA 0.711 62.026 61.300 0.025 0.000 1.445 377 I CB 0.211 38.216 38.000 0.008 0.000 1.086 377 I HN 0.204 nan 8.210 nan 0.000 0.433 378 L N -0.330 120.928 121.223 0.058 0.000 2.249 378 L HA -0.114 4.227 4.340 0.000 0.000 0.207 378 L C 2.396 179.323 176.870 0.094 0.000 1.090 378 L CA 0.473 55.377 54.840 0.106 0.000 0.802 378 L CB -0.295 41.804 42.059 0.067 0.000 0.947 378 L HN 0.222 nan 8.230 nan 0.000 0.453 379 Q N 0.299 120.125 119.800 0.043 0.000 2.119 379 Q HA -0.195 4.145 4.340 0.000 0.000 0.201 379 Q C 1.643 177.659 176.000 0.025 0.000 0.972 379 Q CA 1.680 57.494 55.803 0.018 0.000 0.847 379 Q CB -0.069 28.669 28.738 0.000 0.000 0.903 379 Q HN 0.348 nan 8.270 nan 0.000 0.433 380 D N -0.995 119.434 120.400 0.048 0.000 2.144 380 D HA -0.154 4.486 4.640 0.000 0.000 0.200 380 D C 1.522 177.880 176.300 0.097 0.000 0.978 380 D CA 0.970 55.003 54.000 0.055 0.000 0.833 380 D CB -0.290 40.542 40.800 0.052 0.000 0.961 380 D HN 0.330 nan 8.370 nan 0.000 0.470 381 Y N 1.957 122.251 120.300 -0.011 0.000 2.200 381 Y HA -0.121 4.430 4.550 0.000 0.000 0.290 381 Y C 2.135 178.029 175.900 -0.009 0.000 1.137 381 Y CA 1.358 59.452 58.100 -0.009 0.000 1.163 381 Y CB -0.109 38.346 38.460 -0.008 0.000 0.988 381 Y HN -0.201 nan 8.280 nan 0.000 0.518 382 K N -0.140 120.170 120.400 -0.149 0.000 2.148 382 K HA -0.129 4.191 4.320 0.000 0.000 0.204 382 K C 2.127 178.631 176.600 -0.161 0.000 1.050 382 K CA 1.495 57.644 56.287 -0.230 0.000 0.942 382 K CB -0.219 32.214 32.500 -0.112 0.000 0.724 382 K HN 0.478 nan 8.250 nan 0.000 0.446 383 S N 0.148 115.797 115.700 -0.085 0.000 2.489 383 S HA -0.005 4.465 4.470 0.000 0.000 0.228 383 S C 1.742 176.309 174.600 -0.055 0.000 0.995 383 S CA 0.343 58.508 58.200 -0.058 0.000 0.934 383 S CB -0.122 63.061 63.200 -0.028 0.000 0.771 383 S HN 0.272 nan 8.310 nan 0.000 0.522 384 L N 0.428 121.614 121.223 -0.061 0.000 2.529 384 L HA 0.201 4.541 4.340 0.000 0.000 0.223 384 L C 2.588 179.408 176.870 -0.083 0.000 1.113 384 L CA 0.308 55.124 54.840 -0.039 0.000 0.861 384 L CB -0.369 41.704 42.059 0.023 0.000 1.012 384 L HN 0.318 nan 8.230 nan 0.000 0.461 385 Q N -0.098 119.597 119.800 -0.175 0.000 2.364 385 Q HA -0.223 4.117 4.340 0.000 0.000 0.209 385 Q C 1.172 177.104 176.000 -0.113 0.000 0.977 385 Q CA 1.173 56.852 55.803 -0.207 0.000 0.885 385 Q CB 0.072 28.621 28.738 -0.315 0.000 0.941 385 Q HN 0.365 nan 8.270 nan 0.000 0.464 386 D N -0.340 120.011 120.400 -0.081 0.000 2.305 386 D HA 0.006 4.647 4.640 0.000 0.000 0.206 386 D C 1.345 177.624 176.300 -0.036 0.000 0.974 386 D CA 0.483 54.450 54.000 -0.054 0.000 0.871 386 D CB 0.320 41.092 40.800 -0.046 0.000 0.947 386 D HN 0.197 nan 8.370 nan 0.000 0.516 387 I N -0.255 120.297 120.570 -0.031 0.000 2.494 387 I HA -0.046 4.124 4.170 0.000 0.000 0.250 387 I C 1.941 178.052 176.117 -0.010 0.000 1.112 387 I CA 0.520 61.810 61.300 -0.016 0.000 1.438 387 I CB -0.060 37.934 38.000 -0.009 0.000 1.111 387 I HN -0.067 nan 8.210 nan 0.000 0.431 388 I N 1.400 121.964 120.570 -0.011 0.000 2.493 388 I HA -0.177 3.993 4.170 0.000 0.000 0.254 388 I C 2.769 178.884 176.117 -0.004 0.000 1.160 388 I CA 1.008 62.310 61.300 0.003 0.000 1.445 388 I CB -0.507 37.505 38.000 0.020 0.000 1.086 388 I HN 0.144 nan 8.210 nan 0.000 0.433 389 A N 1.036 123.844 122.820 -0.020 0.000 1.972 389 A HA -0.145 4.175 4.320 0.000 0.000 0.219 389 A C 2.241 179.819 177.584 -0.011 0.000 1.169 389 A CA 1.543 53.569 52.037 -0.019 0.000 0.635 389 A CB -0.354 18.627 19.000 -0.031 0.000 0.810 389 A HN 0.315 nan 8.150 nan 0.000 0.446 390 I N -1.226 119.338 120.570 -0.009 0.000 2.685 390 I HA 0.046 4.216 4.170 0.000 0.000 0.251 390 I C 2.380 178.497 176.117 -0.001 0.000 1.102 390 I CA 0.704 62.001 61.300 -0.005 0.000 1.442 390 I CB -1.248 36.749 38.000 -0.006 0.000 1.194 390 I HN 0.231 nan 8.210 nan 0.000 0.448 391 L N 0.401 121.624 121.223 0.000 0.000 2.072 391 L HA 0.129 4.469 4.340 0.000 0.000 0.205 391 L C 1.052 177.926 176.870 0.008 0.000 1.079 391 L CA 0.909 55.752 54.840 0.004 0.000 0.752 391 L CB -0.568 41.494 42.059 0.005 0.000 0.906 391 L HN 0.476 nan 8.230 nan 0.000 0.436 392 G N -1.446 107.360 108.800 0.010 0.000 2.699 392 G HA2 -0.285 3.676 3.960 0.000 0.000 0.686 392 G HA3 -0.285 3.676 3.960 0.000 0.000 0.686 392 G C 0.040 174.953 174.900 0.022 0.000 1.301 392 G CA -0.052 45.057 45.100 0.016 0.000 0.816 392 G HN 0.032 nan 8.290 nan 0.000 0.595 393 M N 0.081 119.699 119.600 0.029 0.000 2.213 393 M HA -0.045 4.435 4.480 0.000 0.000 0.263 393 M C 2.126 178.441 176.300 0.026 0.000 1.062 393 M CA 2.285 57.606 55.300 0.035 0.000 1.105 393 M CB -0.261 32.363 32.600 0.040 0.000 1.385 393 M HN 0.653 nan 8.290 nan 0.000 0.417 394 D N -0.039 120.373 120.400 0.020 0.000 2.239 394 D HA -0.223 4.418 4.640 0.000 0.000 0.202 394 D C 1.534 177.842 176.300 0.014 0.000 0.993 394 D CA 1.358 55.367 54.000 0.015 0.000 0.874 394 D CB -0.106 40.701 40.800 0.012 0.000 0.922 394 D HN 0.430 nan 8.370 nan 0.000 0.464 395 E N -0.398 119.811 120.200 0.015 0.000 2.474 395 E HA 0.140 4.491 4.350 0.000 0.000 0.194 395 E C 0.539 177.148 176.600 0.014 0.000 1.041 395 E CA -0.152 56.255 56.400 0.013 0.000 0.874 395 E CB 0.239 29.945 29.700 0.010 0.000 0.914 395 E HN 0.183 nan 8.360 nan 0.000 0.498 396 L N 0.895 122.129 121.223 0.019 0.000 2.476 396 L HA 0.102 4.442 4.340 0.000 0.000 0.264 396 L C 0.750 177.630 176.870 0.017 0.000 1.224 396 L CA -0.265 54.588 54.840 0.021 0.000 0.821 396 L CB 0.555 42.633 42.059 0.031 0.000 1.101 396 L HN 0.078 nan 8.230 nan 0.000 0.488 397 S N -0.280 115.429 115.700 0.016 0.000 2.614 397 S HA 0.064 4.535 4.470 0.000 0.000 0.265 397 S C 0.652 175.259 174.600 0.013 0.000 1.303 397 S CA -0.591 57.616 58.200 0.013 0.000 1.000 397 S CB 1.288 64.495 63.200 0.012 0.000 0.935 397 S HN 0.617 nan 8.310 nan 0.000 0.551 398 E N 0.167 120.373 120.200 0.010 0.000 2.274 398 E HA -0.083 4.267 4.350 0.000 0.000 0.194 398 E C 1.803 178.408 176.600 0.008 0.000 0.996 398 E CA 1.000 57.405 56.400 0.009 0.000 0.840 398 E CB -0.107 29.598 29.700 0.007 0.000 0.772 398 E HN 0.771 nan 8.360 nan 0.000 0.491 399 E N 0.261 120.466 120.200 0.009 0.000 2.046 399 E HA -0.174 4.176 4.350 0.000 0.000 0.190 399 E C 1.042 177.648 176.600 0.011 0.000 0.982 399 E CA 1.174 57.580 56.400 0.008 0.000 0.800 399 E CB 0.042 29.747 29.700 0.009 0.000 0.756 399 E HN 0.293 nan 8.360 nan 0.000 0.449 400 D N 0.564 120.973 120.400 0.016 0.000 2.183 400 D HA -0.097 4.543 4.640 0.000 0.000 0.203 400 D C 1.847 178.161 176.300 0.024 0.000 0.969 400 D CA 0.692 54.707 54.000 0.025 0.000 0.842 400 D CB -0.010 40.809 40.800 0.032 0.000 0.957 400 D HN 0.116 nan 8.370 nan 0.000 0.484 401 K N 0.365 120.776 120.400 0.018 0.000 2.160 401 K HA -0.174 4.147 4.320 0.000 0.000 0.206 401 K C 2.044 178.643 176.600 -0.003 0.000 1.047 401 K CA 0.605 56.899 56.287 0.013 0.000 0.930 401 K CB -0.099 32.408 32.500 0.012 0.000 0.720 401 K HN 0.033 nan 8.250 nan 0.000 0.450 402 L N 0.711 121.931 121.223 -0.005 0.000 2.044 402 L HA -0.164 4.176 4.340 0.000 0.000 0.205 402 L C 2.450 179.299 176.870 -0.035 0.000 1.075 402 L CA 2.121 56.951 54.840 -0.017 0.000 0.747 402 L CB -0.882 41.172 42.059 -0.009 0.000 0.903 402 L HN 0.334 nan 8.230 nan 0.000 0.435 403 T N -3.762 110.778 114.554 -0.022 0.000 2.759 403 T HA -0.175 4.175 4.350 0.000 0.000 0.269 403 T C 1.844 176.496 174.700 -0.079 0.000 1.042 403 T CA 1.596 63.678 62.100 -0.029 0.000 1.140 403 T CB -1.123 67.751 68.868 0.009 0.000 0.864 403 T HN 0.144 nan 8.240 nan 0.000 0.455 404 V N 1.484 121.357 119.914 -0.069 0.000 2.295 404 V HA -0.155 3.965 4.120 0.000 0.000 0.246 404 V C 3.070 178.983 176.094 -0.302 0.000 1.049 404 V CA 2.097 64.285 62.300 -0.187 0.000 1.024 404 V CB -1.128 30.690 31.823 -0.008 0.000 0.648 404 V HN 0.632 nan 8.190 nan 0.000 0.447 405 S N -0.844 114.761 115.700 -0.158 0.000 2.399 405 S HA -0.182 4.289 4.470 0.000 0.000 0.231 405 S C 2.153 176.651 174.600 -0.169 0.000 1.022 405 S CA 1.497 59.614 58.200 -0.138 0.000 0.983 405 S CB -0.186 62.973 63.200 -0.068 0.000 0.803 405 S HN 0.556 nan 8.310 nan 0.000 0.480 406 R N 0.446 120.848 120.500 -0.164 0.000 2.062 406 R HA 0.136 4.476 4.340 0.000 0.000 0.226 406 R C 2.716 178.891 176.300 -0.208 0.000 1.125 406 R CA 1.097 57.094 56.100 -0.172 0.000 0.966 406 R CB -0.624 29.610 30.300 -0.110 0.000 0.861 406 R HN 0.442 nan 8.270 nan 0.000 0.433 407 A N 1.522 124.201 122.820 -0.236 0.000 1.908 407 A HA -0.205 4.115 4.320 0.000 0.000 0.218 407 A C 2.115 179.523 177.584 -0.293 0.000 1.181 407 A CA 1.387 53.275 52.037 -0.249 0.000 0.627 407 A CB -0.398 18.406 19.000 -0.327 0.000 0.818 407 A HN 0.224 nan 8.150 nan 0.000 0.445 408 R N -0.493 119.757 120.500 -0.418 0.000 2.075 408 R HA -0.082 4.258 4.340 0.000 0.000 0.232 408 R C 2.230 178.438 176.300 -0.152 0.000 1.126 408 R CA 1.613 57.550 56.100 -0.272 0.000 0.963 408 R CB -0.251 29.890 30.300 -0.264 0.000 0.858 408 R HN 0.508 nan 8.270 nan 0.000 0.435 409 K N 0.442 120.703 120.400 -0.231 0.000 2.057 409 K HA -0.108 4.212 4.320 0.000 0.000 0.207 409 K C 2.036 178.410 176.600 -0.377 0.000 1.049 409 K CA 1.276 57.324 56.287 -0.398 0.000 0.931 409 K CB -0.129 31.932 32.500 -0.732 0.000 0.714 409 K HN 0.113 nan 8.250 nan 0.000 0.440 410 I N 1.342 121.785 120.570 -0.212 0.000 2.179 410 I HA -0.333 3.837 4.170 0.000 0.000 0.242 410 I C 2.574 178.802 176.117 0.185 0.000 1.088 410 I CA 1.355 62.696 61.300 0.068 0.000 1.357 410 I CB -0.257 37.819 38.000 0.126 0.000 1.051 410 I HN 0.231 nan 8.210 nan 0.000 0.409 411 Q N 0.312 120.163 119.800 0.085 0.000 2.118 411 Q HA -0.297 4.043 4.340 0.000 0.000 0.211 411 Q C 2.396 178.486 176.000 0.150 0.000 0.998 411 Q CA 1.999 57.867 55.803 0.108 0.000 0.872 411 Q CB -0.185 28.602 28.738 0.081 0.000 0.925 411 Q HN 0.476 nan 8.270 nan 0.000 0.414 412 R N -1.029 119.571 120.500 0.167 0.000 2.153 412 R HA -0.053 4.287 4.340 0.000 0.000 0.218 412 R C 1.840 178.308 176.300 0.280 0.000 1.072 412 R CA 0.543 56.798 56.100 0.257 0.000 0.990 412 R CB -0.076 30.416 30.300 0.320 0.000 0.889 412 R HN 0.171 nan 8.270 nan 0.000 0.452 413 F N 0.775 120.778 119.950 0.089 0.000 2.661 413 F HA 0.065 4.592 4.527 0.000 0.000 0.298 413 F C 1.335 177.251 175.800 0.194 0.000 1.137 413 F CA 0.716 58.738 58.000 0.037 0.000 1.454 413 F CB 0.162 39.026 39.000 -0.227 0.000 1.103 413 F HN -0.087 nan 8.300 nan 0.000 0.577 414 L N -0.546 120.820 121.223 0.238 0.000 2.418 414 L HA 0.035 4.375 4.340 0.000 0.000 0.218 414 L C 1.403 178.278 176.870 0.008 0.000 1.125 414 L CA 0.272 55.207 54.840 0.159 0.000 0.835 414 L CB -0.586 41.546 42.059 0.121 0.000 0.953 414 L HN 0.099 nan 8.230 nan 0.000 0.454 415 S N -0.400 115.301 115.700 0.002 0.000 2.603 415 S HA 0.380 4.850 4.470 0.000 0.000 0.268 415 S C -0.365 174.133 174.600 -0.171 0.000 1.317 415 S CA -0.468 57.687 58.200 -0.076 0.000 1.012 415 S CB 1.919 65.100 63.200 -0.032 0.000 0.926 415 S HN 0.258 nan 8.310 nan 0.000 0.539 416 Q N 0.678 120.325 119.800 -0.254 0.000 2.352 416 Q HA 0.396 4.736 4.340 0.000 0.000 0.270 416 Q C -3.092 172.702 176.000 -0.344 0.000 1.006 416 Q CA -1.944 53.694 55.803 -0.276 0.000 0.880 416 Q CB 2.445 31.040 28.738 -0.238 0.000 1.392 416 Q HN 0.554 nan 8.270 nan 0.000 0.401 417 P HA 0.202 nan 4.420 nan 0.000 0.286 417 P C -0.924 176.390 177.300 0.023 0.000 1.321 417 P CA -0.127 62.895 63.100 -0.131 0.000 0.790 417 P CB 0.086 31.739 31.700 -0.078 0.000 0.897 418 F N 1.887 121.807 119.950 -0.050 0.000 2.406 418 F HA 0.189 4.716 4.527 0.000 0.000 0.327 418 F C 2.186 177.956 175.800 -0.051 0.000 1.153 418 F CA -0.489 57.491 58.000 -0.033 0.000 1.218 418 F CB 0.252 39.247 39.000 -0.008 0.000 1.215 418 F HN 0.361 nan 8.300 nan 0.000 0.570 419 Q N 0.678 120.575 119.800 0.163 0.000 2.230 419 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 419 Q C 1.879 177.901 176.000 0.036 0.000 0.963 419 Q CA 0.792 56.629 55.803 0.056 0.000 0.866 419 Q CB -0.040 28.709 28.738 0.018 0.000 0.931 419 Q HN 0.542 nan 8.270 nan 0.000 0.452 420 V N 0.248 120.195 119.914 0.056 0.000 3.129 420 V HA 0.036 4.157 4.120 0.000 0.000 0.259 420 V C 1.700 177.850 176.094 0.093 0.000 1.116 420 V CA 1.152 63.492 62.300 0.065 0.000 1.127 420 V CB 0.019 31.873 31.823 0.051 0.000 0.742 420 V HN 0.318 nan 8.190 nan 0.000 0.474 421 A N -1.023 121.817 122.820 0.034 0.000 2.123 421 A HA -0.027 4.293 4.320 0.000 0.000 0.214 421 A C 1.910 179.192 177.584 -0.504 0.000 1.152 421 A CA 0.922 52.792 52.037 -0.278 0.000 0.728 421 A CB -0.308 18.551 19.000 -0.235 0.000 0.814 421 A HN 0.603 nan 8.150 nan 0.000 0.464 422 E N 0.087 120.166 120.200 -0.201 0.000 2.068 422 E HA -0.199 4.151 4.350 0.000 0.000 0.207 422 E C 1.098 177.596 176.600 -0.171 0.000 1.032 422 E CA 1.929 58.234 56.400 -0.158 0.000 0.839 422 E CB -0.329 29.339 29.700 -0.054 0.000 0.758 422 E HN 0.408 nan 8.360 nan 0.000 0.457 423 V N 1.166 121.048 119.914 -0.053 0.000 3.488 423 V HA -0.107 4.013 4.120 0.000 0.000 0.286 423 V C 0.751 176.962 176.094 0.194 0.000 1.206 423 V CA 1.132 63.467 62.300 0.057 0.000 1.238 423 V CB -1.494 30.386 31.823 0.095 0.000 1.004 423 V HN 0.361 nan 8.190 nan 0.000 0.445 424 F N -2.253 117.673 119.950 -0.041 0.000 2.959 424 F HA 0.132 4.659 4.527 0.000 0.000 0.411 424 F C 1.290 177.042 175.800 -0.080 0.000 0.957 424 F CA 0.413 58.381 58.000 -0.054 0.000 0.967 424 F CB -0.263 38.708 39.000 -0.049 0.000 1.325 424 F HN -0.003 nan 8.300 nan 0.000 0.553 425 T N -2.557 111.645 114.554 -0.587 0.000 3.069 425 T HA 0.496 4.846 4.350 0.000 0.000 0.252 425 T C 1.804 176.248 174.700 -0.426 0.000 1.053 425 T CA 0.519 62.357 62.100 -0.438 0.000 0.964 425 T CB 0.154 68.725 68.868 -0.495 0.000 1.005 425 T HN 1.243 nan 8.240 nan 0.000 0.532 426 G N 1.324 109.944 108.800 -0.300 0.000 2.228 426 G HA2 -0.296 3.664 3.960 0.000 0.000 0.270 426 G HA3 -0.296 3.664 3.960 0.000 0.000 0.270 426 G C -0.026 174.762 174.900 -0.188 0.000 0.976 426 G CA 0.594 45.550 45.100 -0.240 0.000 0.636 426 G HN 0.776 nan 8.290 nan 0.000 0.542 427 H N -0.861 118.147 119.070 -0.103 0.000 2.473 427 H HA 0.533 5.089 4.556 0.000 0.000 0.327 427 H C 0.243 175.522 175.328 -0.082 0.000 1.105 427 H CA -1.227 54.768 56.048 -0.088 0.000 1.280 427 H CB 1.687 31.384 29.762 -0.107 0.000 1.450 427 H HN 0.169 nan 8.280 nan 0.000 0.492 428 L N 2.789 124.061 121.223 0.081 0.000 2.513 428 L HA 0.099 4.439 4.340 0.000 0.000 0.272 428 L C 0.931 177.813 176.870 0.021 0.000 1.187 428 L CA 0.421 55.278 54.840 0.028 0.000 0.895 428 L CB 0.172 42.240 42.059 0.016 0.000 1.147 428 L HN 0.813 nan 8.230 nan 0.000 0.483 429 G N 4.527 113.340 108.800 0.022 0.000 2.554 429 G HA2 0.276 4.237 3.960 0.000 0.000 0.238 429 G HA3 0.276 4.237 3.960 0.000 0.000 0.238 429 G C -0.577 174.349 174.900 0.045 0.000 1.259 429 G CA -0.499 44.628 45.100 0.046 0.000 0.843 429 G HN 0.526 nan 8.290 nan 0.000 0.582 430 K N 0.628 121.072 120.400 0.073 0.000 2.468 430 K HA 0.437 4.758 4.320 0.000 0.000 0.252 430 K C -1.387 175.264 176.600 0.085 0.000 0.932 430 K CA -0.827 55.492 56.287 0.055 0.000 0.794 430 K CB 2.580 35.093 32.500 0.020 0.000 1.241 430 K HN 0.229 nan 8.250 nan 0.000 0.428 431 L N 1.937 123.193 121.223 0.056 0.000 2.341 431 L HA 0.445 4.785 4.340 0.000 0.000 0.278 431 L C -0.779 176.117 176.870 0.043 0.000 1.005 431 L CA -0.789 54.084 54.840 0.055 0.000 0.818 431 L CB 2.055 44.137 42.059 0.039 0.000 1.259 431 L HN 0.270 nan 8.230 nan 0.000 0.418 432 V N 4.830 124.771 119.914 0.044 0.000 2.384 432 V HA 0.468 4.588 4.120 0.000 0.000 0.287 432 V C -2.124 173.995 176.094 0.041 0.000 1.020 432 V CA -1.789 60.533 62.300 0.037 0.000 0.850 432 V CB 1.370 33.207 31.823 0.023 0.000 0.987 432 V HN 0.614 nan 8.190 nan 0.000 0.436 433 P HA 0.096 nan 4.420 nan 0.000 0.269 433 P C 0.707 178.034 177.300 0.045 0.000 1.209 433 P CA -0.313 62.812 63.100 0.042 0.000 0.776 433 P CB 0.778 32.502 31.700 0.040 0.000 0.876 434 L N 3.710 124.959 121.223 0.043 0.000 2.131 434 L HA -0.173 4.167 4.340 0.000 0.000 0.210 434 L C 2.123 179.009 176.870 0.028 0.000 1.092 434 L CA 1.934 56.795 54.840 0.036 0.000 0.759 434 L CB -0.941 41.150 42.059 0.053 0.000 0.903 434 L HN 0.367 nan 8.230 nan 0.000 0.435 435 K N -1.226 119.198 120.400 0.040 0.000 2.148 435 K HA -0.134 4.186 4.320 0.000 0.000 0.204 435 K C 1.589 178.224 176.600 0.058 0.000 1.050 435 K CA 1.466 57.778 56.287 0.043 0.000 0.942 435 K CB -0.266 32.260 32.500 0.043 0.000 0.724 435 K HN 0.334 nan 8.250 nan 0.000 0.446 436 E N 0.668 120.907 120.200 0.066 0.000 2.158 436 E HA -0.079 4.272 4.350 0.000 0.000 0.191 436 E C 1.969 178.650 176.600 0.136 0.000 0.982 436 E CA 1.355 57.809 56.400 0.090 0.000 0.823 436 E CB -0.239 29.509 29.700 0.079 0.000 0.766 436 E HN 0.393 nan 8.360 nan 0.000 0.468 437 T N 2.288 116.917 114.554 0.126 0.000 2.737 437 T HA -0.067 4.284 4.350 0.000 0.000 0.265 437 T C 2.008 176.872 174.700 0.274 0.000 1.038 437 T CA 0.723 62.946 62.100 0.205 0.000 1.144 437 T CB -0.027 68.916 68.868 0.125 0.000 0.866 437 T HN 0.038 nan 8.240 nan 0.000 0.434 438 I N 1.436 122.069 120.570 0.104 0.000 2.179 438 I HA -0.098 4.072 4.170 0.000 0.000 0.242 438 I C 2.453 178.648 176.117 0.131 0.000 1.088 438 I CA 1.432 62.768 61.300 0.061 0.000 1.357 438 I CB -1.058 36.907 38.000 -0.060 0.000 1.051 438 I HN 0.252 nan 8.210 nan 0.000 0.409 439 K N 1.120 121.587 120.400 0.112 0.000 2.147 439 K HA -0.132 4.189 4.320 0.000 0.000 0.205 439 K C 2.096 178.776 176.600 0.134 0.000 1.049 439 K CA 1.385 57.735 56.287 0.105 0.000 0.936 439 K CB -0.245 32.304 32.500 0.081 0.000 0.722 439 K HN 0.351 nan 8.250 nan 0.000 0.446 440 G N 0.861 109.769 108.800 0.180 0.000 2.552 440 G HA2 -0.257 3.704 3.960 0.000 0.000 0.216 440 G HA3 -0.257 3.704 3.960 0.000 0.000 0.216 440 G C 1.226 176.186 174.900 0.101 0.000 1.240 440 G CA 0.826 46.022 45.100 0.160 0.000 0.796 440 G HN 0.280 nan 8.290 nan 0.000 0.568 441 F N 0.957 121.064 119.950 0.263 0.000 2.333 441 F HA 0.012 4.540 4.527 0.000 0.000 0.300 441 F C 2.971 178.816 175.800 0.076 0.000 1.083 441 F CA 1.261 59.366 58.000 0.176 0.000 1.395 441 F CB -0.144 38.943 39.000 0.145 0.000 1.056 441 F HN 0.177 nan 8.300 nan 0.000 0.529 442 Q N -0.081 119.847 119.800 0.214 0.000 2.050 442 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 442 Q C 2.202 178.241 176.000 0.064 0.000 0.980 442 Q CA 1.660 57.532 55.803 0.115 0.000 0.840 442 Q CB -0.147 28.642 28.738 0.086 0.000 0.898 442 Q HN 0.508 nan 8.270 nan 0.000 0.424 443 Q N -0.190 119.645 119.800 0.058 0.000 2.119 443 Q HA -0.151 4.189 4.340 0.000 0.000 0.201 443 Q C 1.970 177.960 176.000 -0.017 0.000 0.972 443 Q CA 1.088 56.882 55.803 -0.016 0.000 0.847 443 Q CB -0.020 28.732 28.738 0.022 0.000 0.903 443 Q HN 0.357 nan 8.270 nan 0.000 0.433 444 I N 0.377 120.987 120.570 0.066 0.000 2.252 444 I HA -0.272 3.899 4.170 0.000 0.000 0.245 444 I C 2.042 178.151 176.117 -0.013 0.000 1.102 444 I CA 1.157 62.465 61.300 0.012 0.000 1.385 444 I CB -0.207 37.699 38.000 -0.157 0.000 1.064 444 I HN 0.146 nan 8.210 nan 0.000 0.414 445 L N 0.168 121.405 121.223 0.024 0.000 2.083 445 L HA -0.173 4.168 4.340 0.000 0.000 0.209 445 L C 2.557 179.425 176.870 -0.003 0.000 1.083 445 L CA 1.241 56.092 54.840 0.019 0.000 0.752 445 L CB -0.599 41.489 42.059 0.049 0.000 0.899 445 L HN 0.264 nan 8.230 nan 0.000 0.433 446 A N -0.745 122.066 122.820 -0.014 0.000 2.167 446 A HA 0.195 4.516 4.320 0.000 0.000 0.214 446 A C 1.765 179.320 177.584 -0.049 0.000 1.151 446 A CA 0.912 52.930 52.037 -0.032 0.000 0.735 446 A CB -0.392 18.583 19.000 -0.042 0.000 0.802 446 A HN 0.538 nan 8.150 nan 0.000 0.467 447 G N -0.782 107.984 108.800 -0.057 0.000 2.141 447 G HA2 -0.255 3.705 3.960 0.000 0.000 0.231 447 G HA3 -0.255 3.705 3.960 0.000 0.000 0.231 447 G C 0.482 175.337 174.900 -0.075 0.000 0.984 447 G CA 0.551 45.622 45.100 -0.048 0.000 0.660 447 G HN 0.575 nan 8.290 nan 0.000 0.525 448 E N -1.044 119.041 120.200 -0.193 0.000 2.204 448 E HA -0.042 4.308 4.350 0.000 0.000 0.194 448 E C 0.935 177.335 176.600 -0.333 0.000 0.989 448 E CA 1.087 57.281 56.400 -0.342 0.000 0.824 448 E CB -0.051 29.265 29.700 -0.641 0.000 0.756 448 E HN 0.706 nan 8.360 nan 0.000 0.477 449 Y N 0.050 120.339 120.300 -0.017 0.000 2.696 449 Y HA 0.139 4.690 4.550 0.000 0.000 0.260 449 Y C 0.517 176.309 175.900 -0.180 0.000 1.165 449 Y CA -0.671 57.324 58.100 -0.175 0.000 1.189 449 Y CB 0.347 38.801 38.460 -0.010 0.000 1.180 449 Y HN -0.096 nan 8.280 nan 0.000 0.538 450 D N -0.495 119.938 120.400 0.055 0.000 2.384 450 D HA -0.162 4.478 4.640 0.000 0.000 0.222 450 D C 1.953 178.298 176.300 0.076 0.000 0.976 450 D CA 1.282 55.315 54.000 0.054 0.000 0.915 450 D CB -0.140 40.693 40.800 0.056 0.000 0.896 450 D HN 0.611 nan 8.370 nan 0.000 0.523 451 H N -0.936 118.191 119.070 0.095 0.000 2.553 451 H HA 0.143 4.699 4.556 0.000 0.000 0.276 451 H C 0.869 176.240 175.328 0.072 0.000 0.979 451 H CA -0.179 55.909 56.048 0.068 0.000 1.268 451 H CB -0.132 29.660 29.762 0.049 0.000 1.450 451 H HN 0.056 nan 8.280 nan 0.000 0.527 452 L N 3.858 124.896 121.223 -0.309 0.000 2.461 452 L HA 0.190 4.530 4.340 0.000 0.000 0.272 452 L C -1.857 175.013 176.870 -0.001 0.000 1.197 452 L CA -1.817 52.925 54.840 -0.163 0.000 0.836 452 L CB 0.363 42.235 42.059 -0.312 0.000 1.105 452 L HN 0.111 nan 8.230 nan 0.000 0.477 453 P HA 0.093 nan 4.420 nan 0.000 0.274 453 P C -0.043 177.325 177.300 0.114 0.000 1.246 453 P CA -0.374 62.747 63.100 0.036 0.000 0.795 453 P CB 0.892 32.594 31.700 0.004 0.000 1.006 454 E N 0.390 120.662 120.200 0.120 0.000 2.051 454 E HA -0.206 4.145 4.350 0.000 0.000 0.192 454 E C 1.881 178.612 176.600 0.219 0.000 0.991 454 E CA 1.072 57.580 56.400 0.181 0.000 0.799 454 E CB -0.116 29.624 29.700 0.066 0.000 0.748 454 E HN 0.545 nan 8.360 nan 0.000 0.449 455 Q N 0.538 120.402 119.800 0.107 0.000 2.437 455 Q HA -0.029 4.311 4.340 0.000 0.000 0.210 455 Q C 1.835 177.893 176.000 0.096 0.000 0.972 455 Q CA 1.186 57.050 55.803 0.102 0.000 0.903 455 Q CB -0.160 28.594 28.738 0.026 0.000 0.967 455 Q HN 0.173 nan 8.270 nan 0.000 0.486 456 A N 0.390 123.201 122.820 -0.015 0.000 2.067 456 A HA 0.006 4.327 4.320 0.000 0.000 0.219 456 A C 1.334 178.722 177.584 -0.326 0.000 1.158 456 A CA 0.544 52.450 52.037 -0.219 0.000 0.661 456 A CB -0.584 18.179 19.000 -0.395 0.000 0.801 456 A HN 0.324 nan 8.150 nan 0.000 0.452 457 F N -2.520 117.407 119.950 -0.038 0.000 2.776 457 F HA 0.181 4.709 4.527 0.000 0.000 0.300 457 F C 0.690 176.564 175.800 0.124 0.000 1.116 457 F CA -0.286 57.716 58.000 0.003 0.000 1.375 457 F CB -0.147 38.838 39.000 -0.025 0.000 1.109 457 F HN 0.283 nan 8.300 nan 0.000 0.585 458 Y N 2.022 122.400 120.300 0.130 0.000 2.436 458 Y HA 0.250 4.800 4.550 0.000 0.000 0.336 458 Y C 0.618 176.530 175.900 0.019 0.000 1.049 458 Y CA -1.420 56.731 58.100 0.085 0.000 1.294 458 Y CB 0.115 38.614 38.460 0.065 0.000 1.179 458 Y HN 0.041 nan 8.280 nan 0.000 0.520 459 M N 6.213 125.460 119.600 -0.588 0.000 2.917 459 M HA -0.159 4.321 4.480 0.000 0.000 0.176 459 M C -1.391 174.721 176.300 -0.313 0.000 1.181 459 M CA 0.842 55.816 55.300 -0.544 0.000 0.723 459 M CB -2.466 29.680 32.600 -0.758 0.000 1.207 459 M HN 0.421 nan 8.290 nan 0.000 0.761 460 V N -2.335 117.481 119.914 -0.163 0.000 3.078 460 V HA 1.006 5.126 4.120 0.000 0.000 0.311 460 V C 0.805 176.868 176.094 -0.052 0.000 1.138 460 V CA -0.301 61.941 62.300 -0.097 0.000 1.007 460 V CB 1.529 33.326 31.823 -0.043 0.000 1.045 460 V HN 0.510 nan 8.190 nan 0.000 0.432 461 G N 1.249 110.029 108.800 -0.034 0.000 2.587 461 G HA2 0.287 4.247 3.960 0.000 0.000 0.197 461 G HA3 0.287 4.247 3.960 0.000 0.000 0.197 461 G C -1.876 173.048 174.900 0.040 0.000 1.540 461 G CA 0.205 45.295 45.100 -0.016 0.000 0.910 461 G HN 0.749 nan 8.290 nan 0.000 0.437 462 P HA 0.138 nan 4.420 nan 0.000 0.274 462 P C 0.724 178.138 177.300 0.190 0.000 1.256 462 P CA -0.546 62.632 63.100 0.130 0.000 0.795 462 P CB 1.375 33.113 31.700 0.064 0.000 1.038 463 I N 0.859 121.540 120.570 0.186 0.000 2.361 463 I HA -0.212 3.958 4.170 0.000 0.000 0.251 463 I C 1.722 177.721 176.117 -0.197 0.000 1.133 463 I CA 1.700 62.933 61.300 -0.112 0.000 1.413 463 I CB -0.833 37.057 38.000 -0.184 0.000 1.073 463 I HN 0.236 nan 8.210 nan 0.000 0.424 464 E N 0.573 120.726 120.200 -0.079 0.000 2.333 464 E HA -0.192 4.158 4.350 0.000 0.000 0.198 464 E C 1.881 178.410 176.600 -0.118 0.000 1.007 464 E CA 0.980 57.329 56.400 -0.085 0.000 0.845 464 E CB -0.162 29.521 29.700 -0.028 0.000 0.766 464 E HN 0.615 nan 8.360 nan 0.000 0.507 465 E N -0.532 119.599 120.200 -0.116 0.000 2.385 465 E HA 0.075 4.425 4.350 0.000 0.000 0.194 465 E C 1.838 178.310 176.600 -0.213 0.000 1.013 465 E CA 0.450 56.775 56.400 -0.126 0.000 0.866 465 E CB 0.176 29.830 29.700 -0.077 0.000 0.832 465 E HN 0.258 nan 8.360 nan 0.000 0.500 466 A N 0.961 123.579 122.820 -0.337 0.000 1.897 466 A HA -0.105 4.216 4.320 0.000 0.000 0.215 466 A C 2.423 179.677 177.584 -0.550 0.000 1.181 466 A CA 0.832 52.518 52.037 -0.585 0.000 0.620 466 A CB -0.503 17.870 19.000 -1.044 0.000 0.821 466 A HN 0.087 nan 8.150 nan 0.000 0.443 467 V N 0.049 119.688 119.914 -0.457 0.000 2.295 467 V HA -0.271 3.849 4.120 0.000 0.000 0.246 467 V C 3.060 179.040 176.094 -0.190 0.000 1.049 467 V CA 2.002 64.126 62.300 -0.294 0.000 1.024 467 V CB -1.290 30.428 31.823 -0.174 0.000 0.648 467 V HN 0.606 nan 8.190 nan 0.000 0.447 468 A N -0.344 122.377 122.820 -0.165 0.000 1.902 468 A HA -0.276 4.044 4.320 0.000 0.000 0.217 468 A C 2.336 179.846 177.584 -0.124 0.000 1.181 468 A CA 2.241 54.208 52.037 -0.116 0.000 0.623 468 A CB -0.497 18.445 19.000 -0.096 0.000 0.818 468 A HN 0.520 nan 8.150 nan 0.000 0.443 469 K N -0.475 119.825 120.400 -0.167 0.000 2.097 469 K HA -0.041 4.280 4.320 0.000 0.000 0.206 469 K C 2.089 178.603 176.600 -0.144 0.000 1.049 469 K CA 1.087 57.282 56.287 -0.153 0.000 0.933 469 K CB -0.274 32.114 32.500 -0.186 0.000 0.717 469 K HN 0.397 nan 8.250 nan 0.000 0.442 470 A N 1.211 123.919 122.820 -0.187 0.000 1.930 470 A HA -0.155 4.165 4.320 0.000 0.000 0.217 470 A C 1.568 179.104 177.584 -0.080 0.000 1.175 470 A CA 1.780 53.729 52.037 -0.146 0.000 0.627 470 A CB -0.390 18.498 19.000 -0.188 0.000 0.815 470 A HN 0.311 nan 8.150 nan 0.000 0.443 471 D N 0.169 120.524 120.400 -0.074 0.000 2.178 471 D HA -0.112 4.528 4.640 0.000 0.000 0.202 471 D C 1.775 178.053 176.300 -0.037 0.000 0.974 471 D CA 0.955 54.928 54.000 -0.044 0.000 0.841 471 D CB -0.140 40.636 40.800 -0.041 0.000 0.953 471 D HN 0.295 nan 8.370 nan 0.000 0.478 472 K N 0.649 121.022 120.400 -0.045 0.000 2.063 472 K HA -0.076 4.244 4.320 0.000 0.000 0.208 472 K C 1.151 177.737 176.600 -0.024 0.000 1.048 472 K CA 0.340 56.607 56.287 -0.033 0.000 0.928 472 K CB -0.673 31.805 32.500 -0.037 0.000 0.713 472 K HN 0.266 nan 8.250 nan 0.000 0.442 473 L N 2.199 123.405 121.223 -0.028 0.000 2.451 473 L HA 0.082 4.422 4.340 0.000 0.000 0.272 473 L C 0.575 177.437 176.870 -0.013 0.000 1.258 473 L CA -0.565 54.264 54.840 -0.018 0.000 1.132 473 L CB -0.287 41.759 42.059 -0.021 0.000 1.361 473 L HN 0.030 nan 8.230 nan 0.000 0.438 474 A N 0.000 122.815 122.820 -0.009 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.033 52.037 -0.006 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.007 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486