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 2xok_1_F DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAAE 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.708 174.700 0.014 0.000 1.109 7 T CA 0.000 62.105 62.100 0.008 0.000 1.349 7 T CB 0.000 68.873 68.868 0.008 0.000 0.612 8 P HA 0.519 nan 4.420 nan 0.000 0.271 8 P C -0.927 176.400 177.300 0.045 0.000 1.216 8 P CA -0.436 62.682 63.100 0.029 0.000 0.776 8 P CB 0.352 32.067 31.700 0.025 0.000 0.881 9 I N 2.507 123.120 120.570 0.071 0.000 2.307 9 I HA 0.182 4.353 4.170 0.001 0.000 0.289 9 I C 0.607 176.867 176.117 0.239 0.000 1.021 9 I CA -0.395 60.984 61.300 0.132 0.000 1.224 9 I CB 1.224 39.279 38.000 0.092 0.000 1.376 9 I HN 0.421 nan 8.210 nan 0.000 0.470 10 T N 2.092 116.745 114.554 0.166 0.000 2.829 10 T HA 0.736 5.086 4.350 0.001 0.000 0.280 10 T C 0.086 174.610 174.700 -0.294 0.000 0.999 10 T CA -0.737 61.373 62.100 0.018 0.000 0.983 10 T CB 2.038 70.883 68.868 -0.038 0.000 0.968 10 T HN 0.611 nan 8.240 nan 0.000 0.446 11 G N 1.548 109.886 108.800 -0.770 0.000 2.705 11 G HA2 0.709 4.669 3.960 0.001 0.000 0.299 11 G HA3 0.709 4.669 3.960 0.001 0.000 0.299 11 G C -1.197 173.369 174.900 -0.558 0.000 1.315 11 G CA -1.190 43.137 45.100 -1.288 0.000 1.045 11 G HN 0.778 nan 8.290 nan 0.000 0.517 12 K N -0.405 119.743 120.400 -0.421 0.000 2.397 12 K HA 0.437 4.757 4.320 0.001 0.000 0.253 12 K C -0.938 175.596 176.600 -0.110 0.000 0.932 12 K CA -0.715 55.463 56.287 -0.181 0.000 0.795 12 K CB 2.887 35.338 32.500 -0.081 0.000 1.159 12 K HN 0.203 nan 8.250 nan 0.000 0.424 13 V N 3.326 123.196 119.914 -0.072 0.000 2.425 13 V HA -0.062 4.059 4.120 0.001 0.000 0.276 13 V C 1.524 177.609 176.094 -0.014 0.000 1.017 13 V CA 0.606 62.885 62.300 -0.035 0.000 1.062 13 V CB 0.222 32.029 31.823 -0.025 0.000 0.997 13 V HN 1.046 nan 8.190 nan 0.000 0.476 14 T N 1.848 116.403 114.554 0.002 0.000 3.031 14 T HA 0.429 4.779 4.350 0.001 0.000 0.254 14 T C 0.570 175.270 174.700 -0.000 0.000 1.060 14 T CA 0.562 62.664 62.100 0.002 0.000 1.135 14 T CB 0.401 69.273 68.868 0.007 0.000 0.896 14 T HN 0.932 nan 8.240 nan 0.000 0.472 15 A N 0.456 123.280 122.820 0.006 0.000 2.517 15 A HA 0.681 5.001 4.320 0.001 0.000 0.297 15 A C -1.415 176.174 177.584 0.008 0.000 1.050 15 A CA -0.696 51.344 52.037 0.006 0.000 0.694 15 A CB 2.011 21.016 19.000 0.008 0.000 1.277 15 A HN 0.283 nan 8.150 nan 0.000 0.400 16 V N 2.731 122.648 119.914 0.005 0.000 2.483 16 V HA 0.608 4.728 4.120 0.001 0.000 0.297 16 V C -0.795 175.302 176.094 0.005 0.000 1.027 16 V CA -0.158 62.146 62.300 0.006 0.000 0.855 16 V CB 1.269 33.094 31.823 0.004 0.000 0.995 16 V HN 0.712 nan 8.190 nan 0.000 0.424 17 I N 3.694 124.268 120.570 0.006 0.000 2.512 17 I HA 0.655 4.825 4.170 0.001 0.000 0.287 17 I C 1.030 177.149 176.117 0.004 0.000 1.069 17 I CA -0.014 61.289 61.300 0.004 0.000 1.056 17 I CB 1.790 39.792 38.000 0.004 0.000 1.229 17 I HN 0.791 nan 8.210 nan 0.000 0.429 18 G N 4.655 113.456 108.800 0.002 0.000 2.702 18 G HA2 -0.396 3.565 3.960 0.001 0.000 0.342 18 G HA3 -0.396 3.565 3.960 0.001 0.000 0.342 18 G C 0.942 175.845 174.900 0.004 0.000 1.258 18 G CA 0.950 46.051 45.100 0.002 0.000 0.990 18 G HN 0.980 nan 8.290 nan 0.000 0.548 19 A N -0.694 122.128 122.820 0.003 0.000 2.275 19 A HA 0.575 4.896 4.320 0.001 0.000 0.212 19 A C 0.756 178.347 177.584 0.011 0.000 1.201 19 A CA 0.566 52.607 52.037 0.006 0.000 0.843 19 A CB 0.055 19.056 19.000 0.003 0.000 0.873 19 A HN 0.494 nan 8.150 nan 0.000 0.492 20 I N 0.817 121.393 120.570 0.011 0.000 2.353 20 I HA 0.392 4.563 4.170 0.001 0.000 0.293 20 I C -0.402 175.726 176.117 0.019 0.000 0.992 20 I CA -1.107 60.203 61.300 0.016 0.000 1.268 20 I CB 1.137 39.145 38.000 0.014 0.000 1.387 20 I HN -0.140 nan 8.210 nan 0.000 0.478 21 V N 5.316 125.246 119.914 0.027 0.000 2.656 21 V HA 0.422 4.543 4.120 0.001 0.000 0.307 21 V C -0.701 175.418 176.094 0.042 0.000 1.051 21 V CA -0.787 61.531 62.300 0.029 0.000 0.893 21 V CB 2.414 34.254 31.823 0.027 0.000 0.999 21 V HN 0.573 nan 8.190 nan 0.000 0.426 22 D N 2.905 123.328 120.400 0.039 0.000 2.256 22 D HA 0.583 5.223 4.640 0.001 0.000 0.240 22 D C -0.677 175.655 176.300 0.053 0.000 1.062 22 D CA -0.039 53.993 54.000 0.054 0.000 0.832 22 D CB 2.180 43.006 40.800 0.043 0.000 1.135 22 D HN 0.240 nan 8.370 nan 0.000 0.484 23 V N 2.521 122.486 119.914 0.085 0.000 2.540 23 V HA 0.211 4.332 4.120 0.001 0.000 0.302 23 V C -0.452 175.704 176.094 0.103 0.000 1.035 23 V CA -0.838 61.489 62.300 0.045 0.000 0.873 23 V CB 1.765 33.613 31.823 0.042 0.000 0.992 23 V HN 0.528 nan 8.190 nan 0.000 0.428 24 H N 4.170 123.182 119.070 -0.097 0.000 2.467 24 H HA 0.617 5.174 4.556 0.001 0.000 0.326 24 H C -1.535 173.676 175.328 -0.196 0.000 1.094 24 H CA -0.820 55.196 56.048 -0.054 0.000 1.253 24 H CB 0.962 30.695 29.762 -0.049 0.000 1.439 24 H HN 0.442 nan 8.280 nan 0.000 0.479 25 F N 4.081 123.701 119.950 -0.551 0.000 2.444 25 F HA 0.189 4.716 4.527 0.001 0.000 0.342 25 F C 1.419 176.837 175.800 -0.638 0.000 1.121 25 F CA -0.629 57.088 58.000 -0.471 0.000 0.997 25 F CB 1.678 40.542 39.000 -0.227 0.000 1.130 25 F HN 0.631 nan 8.300 nan 0.000 0.454 26 E N 1.686 121.694 120.200 -0.321 0.000 2.086 26 E HA -0.223 4.128 4.350 0.001 0.000 0.205 26 E C 0.278 176.845 176.600 -0.055 0.000 1.027 26 E CA 1.484 57.779 56.400 -0.177 0.000 0.830 26 E CB -0.160 29.497 29.700 -0.072 0.000 0.751 26 E HN 0.719 nan 8.360 nan 0.000 0.456 27 Q N -1.498 118.296 119.800 -0.010 0.000 2.331 27 Q HA 0.478 4.818 4.340 0.001 0.000 0.272 27 Q C 0.384 176.380 176.000 -0.007 0.000 1.062 27 Q CA -0.002 55.803 55.803 0.003 0.000 0.806 27 Q CB 2.514 31.255 28.738 0.006 0.000 1.312 27 Q HN -0.073 nan 8.270 nan 0.000 0.431 28 S N 1.706 117.399 115.700 -0.011 0.000 2.919 28 S HA -0.322 4.149 4.470 0.001 0.000 0.496 28 S C 0.182 174.745 174.600 -0.062 0.000 1.093 28 S CA 2.542 60.725 58.200 -0.028 0.000 2.889 28 S CB -0.819 62.370 63.200 -0.018 0.000 2.084 28 S HN 0.860 nan 8.310 nan 0.000 0.492 29 E N 1.885 122.044 120.200 -0.069 0.000 1.858 29 E HA 0.402 4.753 4.350 0.001 0.000 0.267 29 E C -0.805 175.667 176.600 -0.213 0.000 1.215 29 E CA 0.060 56.396 56.400 -0.108 0.000 0.952 29 E CB 0.185 29.837 29.700 -0.080 0.000 1.058 29 E HN 0.274 nan 8.360 nan 0.000 0.407 30 L N 5.234 126.305 121.223 -0.253 0.000 2.305 30 L HA 0.274 4.614 4.340 0.001 0.000 0.281 30 L C -1.893 174.762 176.870 -0.358 0.000 1.085 30 L CA -1.928 52.659 54.840 -0.423 0.000 0.813 30 L CB 0.173 41.936 42.059 -0.494 0.000 1.157 30 L HN 0.356 nan 8.230 nan 0.000 0.436 31 P HA 0.001 nan 4.420 nan 0.000 0.263 31 P C -0.577 176.715 177.300 -0.014 0.000 1.168 31 P CA -0.150 62.785 63.100 -0.275 0.000 0.759 31 P CB 0.339 31.833 31.700 -0.344 0.000 0.782 32 A N 4.233 127.052 122.820 -0.002 0.000 2.406 32 A HA 0.212 4.533 4.320 0.001 0.000 0.243 32 A C 0.689 178.264 177.584 -0.014 0.000 1.082 32 A CA -0.482 51.569 52.037 0.024 0.000 0.786 32 A CB -0.293 18.694 19.000 -0.022 0.000 1.029 32 A HN 0.536 nan 8.150 nan 0.000 0.495 33 I N 1.083 121.574 120.570 -0.131 0.000 2.683 33 I HA 0.025 4.195 4.170 0.001 0.000 0.286 33 I C 0.672 176.711 176.117 -0.131 0.000 1.175 33 I CA 0.619 61.820 61.300 -0.166 0.000 1.429 33 I CB 0.102 37.950 38.000 -0.254 0.000 1.371 33 I HN 0.751 nan 8.210 nan 0.000 0.569 34 L N 2.398 123.549 121.223 -0.121 0.000 3.853 34 L HA -0.215 4.125 4.340 0.001 0.000 0.416 34 L C 0.170 177.018 176.870 -0.038 0.000 0.766 34 L CA 0.079 54.823 54.840 -0.160 0.000 2.383 34 L CB -1.274 40.598 42.059 -0.312 0.000 1.276 34 L HN 0.687 nan 8.230 nan 0.000 0.597 35 N N 1.083 119.774 118.700 -0.015 0.000 2.482 35 N HA 0.499 5.240 4.740 0.001 0.000 0.260 35 N C 0.304 175.838 175.510 0.039 0.000 1.236 35 N CA 0.846 53.905 53.050 0.014 0.000 0.938 35 N CB 0.839 39.324 38.487 -0.003 0.000 1.128 35 N HN 0.297 nan 8.380 nan 0.000 0.448 36 A N 1.865 124.712 122.820 0.046 0.000 2.354 36 A HA 0.561 4.881 4.320 0.001 0.000 0.269 36 A C -0.237 177.382 177.584 0.058 0.000 1.109 36 A CA -0.374 51.694 52.037 0.053 0.000 0.800 36 A CB 0.122 19.149 19.000 0.046 0.000 1.045 36 A HN 0.597 nan 8.150 nan 0.000 0.489 37 L N 1.154 122.420 121.223 0.071 0.000 2.319 37 L HA 0.622 4.962 4.340 0.001 0.000 0.267 37 L C -0.062 176.847 176.870 0.065 0.000 1.011 37 L CA -0.533 54.361 54.840 0.090 0.000 0.818 37 L CB 2.052 44.191 42.059 0.132 0.000 1.316 37 L HN 0.769 nan 8.230 nan 0.000 0.432 38 E N 1.510 121.746 120.200 0.061 0.000 2.256 38 E HA 0.561 4.912 4.350 0.001 0.000 0.268 38 E C -1.425 175.192 176.600 0.028 0.000 0.877 38 E CA -0.498 55.926 56.400 0.039 0.000 0.757 38 E CB 3.040 32.758 29.700 0.031 0.000 1.183 38 E HN 0.369 nan 8.360 nan 0.000 0.418 39 I N 3.098 123.679 120.570 0.019 0.000 2.406 39 I HA 0.239 4.409 4.170 0.001 0.000 0.290 39 I C -0.143 175.977 176.117 0.006 0.000 0.999 39 I CA -0.730 60.574 61.300 0.007 0.000 1.124 39 I CB 1.335 39.337 38.000 0.004 0.000 1.289 39 I HN 0.180 nan 8.210 nan 0.000 0.441 40 K N 5.190 125.591 120.400 0.002 0.000 2.379 40 K HA 0.265 4.585 4.320 0.001 0.000 0.284 40 K C 0.041 176.641 176.600 -0.000 0.000 1.044 40 K CA -0.168 56.120 56.287 0.001 0.000 0.974 40 K CB 0.758 33.258 32.500 -0.000 0.000 0.962 40 K HN 0.650 nan 8.250 nan 0.000 0.474 41 T N -0.560 113.994 114.554 0.001 0.000 2.936 41 T HA 0.291 4.641 4.350 0.001 0.000 0.282 41 T C -1.359 173.341 174.700 -0.000 0.000 1.003 41 T CA -1.669 60.431 62.100 0.000 0.000 1.005 41 T CB 1.247 70.116 68.868 0.002 0.000 1.097 41 T HN 0.306 nan 8.240 nan 0.000 0.532 42 P HA -0.101 nan 4.420 nan 0.000 0.220 42 P C 1.189 178.488 177.300 -0.000 0.000 1.148 42 P CA 1.010 64.110 63.100 -0.001 0.000 0.803 42 P CB 0.185 31.884 31.700 -0.001 0.000 0.782 43 Q N -0.265 119.535 119.800 0.000 0.000 1.732 43 Q HA -0.000 4.340 4.340 0.001 0.000 0.350 43 Q C 2.122 178.123 176.000 0.000 0.000 0.976 43 Q CA 2.160 57.963 55.803 0.000 0.000 0.895 43 Q CB -1.255 27.484 28.738 0.001 0.000 0.934 43 Q HN 0.310 nan 8.270 nan 0.000 0.413 44 G N -0.072 108.729 108.800 0.001 0.000 2.465 44 G HA2 0.244 4.204 3.960 0.001 0.000 0.178 44 G HA3 0.244 4.204 3.960 0.001 0.000 0.178 44 G C -0.363 174.538 174.900 0.003 0.000 1.591 44 G CA 0.339 45.440 45.100 0.002 0.000 0.689 44 G HN 0.282 nan 8.290 nan 0.000 0.708 45 K N -0.839 119.563 120.400 0.005 0.000 2.610 45 K HA 0.552 4.872 4.320 0.001 0.000 0.278 45 K C -2.386 174.220 176.600 0.009 0.000 0.964 45 K CA -0.814 55.477 56.287 0.007 0.000 0.859 45 K CB 1.976 34.481 32.500 0.008 0.000 1.434 45 K HN 0.435 nan 8.250 nan 0.000 0.410 46 L N 2.140 123.370 121.223 0.011 0.000 2.307 46 L HA 0.521 4.861 4.340 0.001 0.000 0.284 46 L C -1.267 175.615 176.870 0.021 0.000 1.023 46 L CA -0.408 54.441 54.840 0.014 0.000 0.810 46 L CB 1.909 43.976 42.059 0.013 0.000 1.231 46 L HN 0.526 nan 8.230 nan 0.000 0.423 47 V N 5.524 125.452 119.914 0.023 0.000 2.716 47 V HA 0.572 4.692 4.120 0.001 0.000 0.304 47 V C 0.044 176.160 176.094 0.037 0.000 1.053 47 V CA -0.643 61.675 62.300 0.030 0.000 0.984 47 V CB 1.508 33.347 31.823 0.028 0.000 1.021 47 V HN 0.696 nan 8.190 nan 0.000 0.467 48 L N 2.245 123.496 121.223 0.047 0.000 2.466 48 L HA 0.609 4.949 4.340 0.001 0.000 0.258 48 L C -0.751 176.157 176.870 0.062 0.000 0.973 48 L CA -0.468 54.404 54.840 0.054 0.000 0.826 48 L CB 2.551 44.647 42.059 0.061 0.000 1.372 48 L HN 0.740 nan 8.230 nan 0.000 0.409 49 E N 1.497 121.734 120.200 0.061 0.000 2.185 49 E HA 0.392 4.742 4.350 0.001 0.000 0.261 49 E C -1.369 175.261 176.600 0.049 0.000 0.879 49 E CA -0.708 55.730 56.400 0.062 0.000 0.756 49 E CB 2.075 31.823 29.700 0.081 0.000 1.152 49 E HN 0.346 nan 8.360 nan 0.000 0.416 50 V N 4.940 124.880 119.914 0.043 0.000 2.409 50 V HA 0.032 4.153 4.120 0.001 0.000 0.270 50 V C 1.104 177.199 176.094 0.002 0.000 1.019 50 V CA 0.954 63.282 62.300 0.045 0.000 1.066 50 V CB 0.194 32.051 31.823 0.057 0.000 1.021 50 V HN 0.889 nan 8.190 nan 0.000 0.476 51 A N 4.916 127.744 122.820 0.013 0.000 1.903 51 A HA 0.133 4.453 4.320 0.001 0.000 0.213 51 A C 0.830 178.393 177.584 -0.036 0.000 1.185 51 A CA 0.822 52.850 52.037 -0.015 0.000 0.628 51 A CB 0.145 19.147 19.000 0.002 0.000 0.830 51 A HN 0.884 nan 8.150 nan 0.000 0.446 52 Q N -1.623 118.180 119.800 0.005 0.000 2.472 52 Q HA 0.387 4.727 4.340 0.001 0.000 0.281 52 Q C -1.744 174.334 176.000 0.129 0.000 0.997 52 Q CA -0.735 55.063 55.803 -0.007 0.000 0.828 52 Q CB 0.648 29.387 28.738 0.002 0.000 1.443 52 Q HN 0.538 nan 8.270 nan 0.000 0.390 53 H N 1.612 120.684 119.070 0.003 0.000 2.652 53 H HA 0.257 4.813 4.556 0.001 0.000 0.298 53 H C 0.507 175.846 175.328 0.020 0.000 1.076 53 H CA -0.478 55.578 56.048 0.013 0.000 1.360 53 H CB 1.204 30.967 29.762 0.002 0.000 1.421 53 H HN 0.441 nan 8.280 nan 0.000 0.464 54 L N 3.063 124.374 121.223 0.147 0.000 2.554 54 L HA 0.147 4.487 4.340 0.001 0.000 0.226 54 L C 1.117 178.029 176.870 0.070 0.000 1.137 54 L CA 0.339 55.231 54.840 0.088 0.000 0.863 54 L CB -0.273 41.829 42.059 0.071 0.000 0.985 54 L HN 0.931 nan 8.230 nan 0.000 0.451 55 G N 0.681 109.526 108.800 0.076 0.000 2.712 55 G HA2 -0.197 3.764 3.960 0.001 0.000 0.686 55 G HA3 -0.197 3.764 3.960 0.001 0.000 0.686 55 G C -0.004 174.921 174.900 0.042 0.000 1.321 55 G CA -0.434 44.696 45.100 0.049 0.000 0.813 55 G HN 0.414 nan 8.290 nan 0.000 0.599 56 E N 0.402 120.624 120.200 0.035 0.000 2.271 56 E HA -0.263 4.088 4.350 0.001 0.000 0.223 56 E C 0.843 177.503 176.600 0.100 0.000 1.223 56 E CA 0.593 57.020 56.400 0.046 0.000 0.704 56 E CB -1.319 28.393 29.700 0.020 0.000 1.194 56 E HN 1.124 nan 8.360 nan 0.000 0.375 57 N N -1.636 117.115 118.700 0.085 0.000 2.681 57 N HA -0.170 4.570 4.740 0.001 0.000 0.250 57 N C -0.484 175.167 175.510 0.235 0.000 1.133 57 N CA 1.960 55.085 53.050 0.125 0.000 0.732 57 N CB -1.176 37.420 38.487 0.182 0.000 1.107 57 N HN 0.379 nan 8.380 nan 0.000 0.559 58 T N -0.258 114.399 114.554 0.171 0.000 2.823 58 T HA 0.608 4.959 4.350 0.001 0.000 0.279 58 T C 0.714 175.490 174.700 0.127 0.000 0.998 58 T CA -0.808 61.404 62.100 0.186 0.000 0.994 58 T CB 2.718 71.666 68.868 0.133 0.000 0.960 58 T HN 0.139 nan 8.240 nan 0.000 0.448 59 V N 0.752 120.769 119.914 0.172 0.000 2.994 59 V HA 0.796 4.917 4.120 0.001 0.000 0.318 59 V C -0.265 175.919 176.094 0.149 0.000 1.085 59 V CA -1.503 60.903 62.300 0.177 0.000 0.998 59 V CB 1.767 33.716 31.823 0.210 0.000 1.063 59 V HN 0.955 nan 8.190 nan 0.000 0.447 60 R N 1.514 122.091 120.500 0.128 0.000 2.480 60 R HA 0.700 5.040 4.340 0.001 0.000 0.306 60 R C -0.389 175.959 176.300 0.079 0.000 0.958 60 R CA 0.104 56.257 56.100 0.089 0.000 0.861 60 R CB 1.774 32.113 30.300 0.065 0.000 1.171 60 R HN 1.126 nan 8.270 nan 0.000 0.445 61 T N 1.397 115.994 114.554 0.072 0.000 2.950 61 T HA 0.557 4.907 4.350 0.001 0.000 0.288 61 T C 0.196 174.922 174.700 0.043 0.000 1.035 61 T CA -0.865 61.273 62.100 0.062 0.000 1.028 61 T CB 1.278 70.192 68.868 0.076 0.000 1.109 61 T HN 0.444 nan 8.240 nan 0.000 0.514 62 I N 1.494 122.088 120.570 0.039 0.000 2.354 62 I HA 0.563 4.734 4.170 0.001 0.000 0.292 62 I C 0.740 176.878 176.117 0.035 0.000 0.989 62 I CA -1.107 60.211 61.300 0.031 0.000 1.188 62 I CB 1.356 39.373 38.000 0.027 0.000 1.342 62 I HN 0.918 nan 8.210 nan 0.000 0.457 63 A N 6.678 129.515 122.820 0.029 0.000 2.462 63 A HA 0.326 4.646 4.320 0.001 0.000 0.243 63 A C 0.864 178.465 177.584 0.028 0.000 1.076 63 A CA -0.168 51.886 52.037 0.028 0.000 0.773 63 A CB 0.306 19.319 19.000 0.021 0.000 1.010 63 A HN 0.761 nan 8.150 nan 0.000 0.493 64 M N 0.862 120.480 119.600 0.029 0.000 2.561 64 M HA 0.175 4.655 4.480 0.001 0.000 0.238 64 M C -0.050 176.263 176.300 0.022 0.000 1.131 64 M CA 0.618 55.934 55.300 0.027 0.000 1.046 64 M CB -1.124 31.493 32.600 0.029 0.000 1.532 64 M HN 0.811 nan 8.290 nan 0.000 0.497 65 D N -1.585 118.826 120.400 0.019 0.000 2.759 65 D HA 0.461 5.101 4.640 0.001 0.000 0.321 65 D C -0.461 175.846 176.300 0.013 0.000 1.267 65 D CA -0.227 53.782 54.000 0.015 0.000 0.933 65 D CB 1.049 41.857 40.800 0.014 0.000 1.431 65 D HN 0.102 nan 8.370 nan 0.000 0.504 66 G N -0.980 107.826 108.800 0.010 0.000 2.491 66 G HA2 0.356 4.317 3.960 0.001 0.000 0.238 66 G HA3 0.356 4.317 3.960 0.001 0.000 0.238 66 G C 0.752 175.657 174.900 0.008 0.000 1.277 66 G CA 0.530 45.635 45.100 0.008 0.000 0.851 66 G HN 0.397 nan 8.290 nan 0.000 0.573 67 T N -1.203 113.355 114.554 0.007 0.000 3.092 67 T HA 0.201 4.551 4.350 0.001 0.000 0.258 67 T C 0.380 175.082 174.700 0.004 0.000 1.031 67 T CA -0.298 61.806 62.100 0.006 0.000 0.925 67 T CB 0.097 68.970 68.868 0.007 0.000 1.036 67 T HN 0.493 nan 8.240 nan 0.000 0.544 68 E N 1.693 121.896 120.200 0.004 0.000 2.608 68 E HA 0.373 4.723 4.350 0.001 0.000 0.259 68 E C 1.486 178.087 176.600 0.001 0.000 0.951 68 E CA 1.341 57.742 56.400 0.002 0.000 0.945 68 E CB -0.457 29.244 29.700 0.002 0.000 0.916 68 E HN 0.439 nan 8.360 nan 0.000 0.477 69 G N 2.469 111.270 108.800 0.000 0.000 2.225 69 G HA2 -0.328 3.632 3.960 0.001 0.000 0.254 69 G HA3 -0.328 3.632 3.960 0.001 0.000 0.254 69 G C 0.271 175.170 174.900 -0.002 0.000 0.988 69 G CA -0.080 45.020 45.100 -0.001 0.000 0.625 69 G HN 0.439 nan 8.290 nan 0.000 0.527 70 L N 0.988 122.210 121.223 -0.001 0.000 2.525 70 L HA 0.348 4.688 4.340 0.001 0.000 0.278 70 L C 0.591 177.459 176.870 -0.004 0.000 1.218 70 L CA 0.148 54.987 54.840 -0.002 0.000 0.878 70 L CB 0.864 42.923 42.059 -0.000 0.000 1.127 70 L HN 0.052 nan 8.230 nan 0.000 0.492 71 V N 4.249 124.159 119.914 -0.007 0.000 2.604 71 V HA 0.367 4.487 4.120 0.001 0.000 0.305 71 V C 0.205 176.293 176.094 -0.010 0.000 1.043 71 V CA -0.964 61.331 62.300 -0.008 0.000 0.888 71 V CB 1.780 33.598 31.823 -0.008 0.000 0.995 71 V HN 0.666 nan 8.190 nan 0.000 0.429 72 R N 2.311 122.805 120.500 -0.010 0.000 2.583 72 R HA 0.358 4.699 4.340 0.001 0.000 0.274 72 R C 1.320 177.611 176.300 -0.015 0.000 0.998 72 R CA 1.227 57.320 56.100 -0.011 0.000 1.081 72 R CB 0.081 30.375 30.300 -0.010 0.000 0.940 72 R HN 1.224 nan 8.270 nan 0.000 0.413 73 G N 1.828 110.617 108.800 -0.018 0.000 2.195 73 G HA2 -0.291 3.669 3.960 0.001 0.000 0.224 73 G HA3 -0.291 3.669 3.960 0.001 0.000 0.224 73 G C 0.099 174.979 174.900 -0.033 0.000 0.990 73 G CA 0.044 45.131 45.100 -0.022 0.000 0.639 73 G HN 0.613 nan 8.290 nan 0.000 0.514 74 E N 1.075 121.255 120.200 -0.034 0.000 2.442 74 E HA 0.366 4.716 4.350 0.001 0.000 0.262 74 E C 0.642 177.205 176.600 -0.062 0.000 1.004 74 E CA -0.111 56.266 56.400 -0.038 0.000 0.928 74 E CB 0.343 30.026 29.700 -0.028 0.000 0.937 74 E HN 0.273 nan 8.360 nan 0.000 0.446 75 K N 2.924 123.289 120.400 -0.058 0.000 2.322 75 K HA 0.196 4.516 4.320 0.001 0.000 0.283 75 K C -1.372 175.183 176.600 -0.076 0.000 1.042 75 K CA -0.420 55.820 56.287 -0.079 0.000 0.958 75 K CB 0.669 33.136 32.500 -0.056 0.000 0.984 75 K HN 0.295 nan 8.250 nan 0.000 0.473 76 V N 5.902 125.743 119.914 -0.122 0.000 2.444 76 V HA 0.272 4.392 4.120 0.001 0.000 0.294 76 V C -0.534 175.542 176.094 -0.030 0.000 1.022 76 V CA -1.055 61.197 62.300 -0.079 0.000 0.850 76 V CB 1.388 33.152 31.823 -0.099 0.000 0.992 76 V HN 0.651 nan 8.190 nan 0.000 0.426 77 L N 3.875 125.120 121.223 0.036 0.000 2.276 77 L HA 0.541 4.882 4.340 0.001 0.000 0.286 77 L C 0.016 176.968 176.870 0.137 0.000 1.061 77 L CA 0.169 55.057 54.840 0.080 0.000 0.807 77 L CB 1.184 43.271 42.059 0.046 0.000 1.177 77 L HN 0.754 nan 8.230 nan 0.000 0.429 78 D N 1.950 122.465 120.400 0.192 0.000 2.312 78 D HA 0.092 4.732 4.640 0.001 0.000 0.252 78 D C 0.877 177.217 176.300 0.067 0.000 1.150 78 D CA 0.216 54.301 54.000 0.142 0.000 0.870 78 D CB 1.394 42.254 40.800 0.099 0.000 1.153 78 D HN 0.652 nan 8.370 nan 0.000 0.457 79 T N 0.609 115.191 114.554 0.047 0.000 3.086 79 T HA 0.271 4.621 4.350 0.001 0.000 0.250 79 T C 1.476 176.184 174.700 0.013 0.000 1.074 79 T CA 0.303 62.420 62.100 0.028 0.000 0.988 79 T CB -0.312 68.573 68.868 0.028 0.000 0.988 79 T HN 0.638 nan 8.240 nan 0.000 0.530 80 G N 0.122 108.923 108.800 0.003 0.000 2.187 80 G HA2 0.092 4.052 3.960 0.001 0.000 0.261 80 G HA3 0.092 4.052 3.960 0.001 0.000 0.261 80 G C 0.389 175.287 174.900 -0.004 0.000 1.000 80 G CA -0.006 45.088 45.100 -0.010 0.000 0.718 80 G HN 1.392 nan 8.290 nan 0.000 0.519 81 G N -1.553 107.250 108.800 0.005 0.000 2.673 81 G HA2 0.721 4.681 3.960 0.001 0.000 0.292 81 G HA3 0.721 4.681 3.960 0.001 0.000 0.292 81 G C -2.931 171.986 174.900 0.028 0.000 1.450 81 G CA -0.409 44.698 45.100 0.012 0.000 0.837 81 G HN 0.154 nan 8.290 nan 0.000 0.505 82 P HA 0.182 nan 4.420 nan 0.000 0.272 82 P C 0.194 177.536 177.300 0.069 0.000 1.243 82 P CA -0.288 62.870 63.100 0.095 0.000 0.803 82 P CB 0.528 32.314 31.700 0.143 0.000 0.974 83 I N -0.078 120.539 120.570 0.078 0.000 2.648 83 I HA -0.004 4.166 4.170 0.001 0.000 0.284 83 I C 0.856 176.969 176.117 -0.007 0.000 1.153 83 I CA 1.051 62.366 61.300 0.024 0.000 1.426 83 I CB 0.042 38.047 38.000 0.009 0.000 1.381 83 I HN 0.170 nan 8.210 nan 0.000 0.571 84 S N 4.930 120.621 115.700 -0.014 0.000 2.549 84 S HA 0.768 5.238 4.470 0.001 0.000 0.297 84 S C -0.661 173.912 174.600 -0.044 0.000 1.115 84 S CA -0.686 57.496 58.200 -0.030 0.000 1.059 84 S CB 1.897 65.082 63.200 -0.024 0.000 1.046 84 S HN 0.491 nan 8.310 nan 0.000 0.506 85 V N 0.266 120.142 119.914 -0.062 0.000 2.808 85 V HA 0.649 4.770 4.120 0.001 0.000 0.308 85 V C -3.236 172.795 176.094 -0.105 0.000 1.099 85 V CA -2.954 59.302 62.300 -0.073 0.000 0.920 85 V CB 1.473 33.251 31.823 -0.075 0.000 1.014 85 V HN 0.553 nan 8.190 nan 0.000 0.425 86 P HA 0.344 nan 4.420 nan 0.000 0.271 86 P C -0.146 177.025 177.300 -0.214 0.000 1.226 86 P CA 0.192 63.205 63.100 -0.145 0.000 0.765 86 P CB 1.060 32.700 31.700 -0.101 0.000 0.835 87 V N 0.858 120.553 119.914 -0.364 0.000 3.166 87 V HA 0.986 5.106 4.120 0.001 0.000 0.317 87 V C 0.322 175.955 176.094 -0.768 0.000 1.136 87 V CA -0.019 61.915 62.300 -0.609 0.000 1.035 87 V CB 0.974 32.289 31.823 -0.847 0.000 1.110 87 V HN 0.927 nan 8.190 nan 0.000 0.450 88 G N 1.773 109.954 108.800 -1.032 0.000 2.725 88 G HA2 -0.182 3.778 3.960 0.001 0.000 0.220 88 G HA3 -0.182 3.778 3.960 0.001 0.000 0.220 88 G C 0.194 174.952 174.900 -0.237 0.000 1.357 88 G CA 0.243 44.927 45.100 -0.694 0.000 0.866 88 G HN 1.064 nan 8.290 nan 0.000 0.548 89 R N 0.192 120.673 120.500 -0.032 0.000 2.293 89 R HA -0.030 4.310 4.340 0.001 0.000 0.219 89 R C 1.893 178.200 176.300 0.011 0.000 1.091 89 R CA 1.254 57.380 56.100 0.043 0.000 1.004 89 R CB -0.089 30.238 30.300 0.046 0.000 0.865 89 R HN 0.508 nan 8.270 nan 0.000 0.469 90 E N 0.010 120.194 120.200 -0.027 0.000 2.409 90 E HA -0.088 4.262 4.350 0.001 0.000 0.198 90 E C 1.461 178.057 176.600 -0.007 0.000 1.024 90 E CA 1.296 57.682 56.400 -0.024 0.000 0.861 90 E CB 0.158 29.825 29.700 -0.054 0.000 0.788 90 E HN 0.414 nan 8.360 nan 0.000 0.521 91 T N -2.493 112.069 114.554 0.014 0.000 3.092 91 T HA 0.259 4.610 4.350 0.001 0.000 0.258 91 T C 0.795 175.531 174.700 0.059 0.000 1.031 91 T CA -0.285 61.834 62.100 0.032 0.000 0.925 91 T CB -0.096 68.791 68.868 0.032 0.000 1.036 91 T HN -0.115 nan 8.240 nan 0.000 0.544 92 L N 2.046 123.295 121.223 0.043 0.000 2.313 92 L HA 0.550 4.891 4.340 0.001 0.000 0.282 92 L C 1.441 178.342 176.870 0.052 0.000 1.092 92 L CA 0.448 55.299 54.840 0.019 0.000 0.831 92 L CB 0.482 42.511 42.059 -0.049 0.000 1.159 92 L HN 0.502 nan 8.230 nan 0.000 0.442 93 G N 1.979 110.826 108.800 0.078 0.000 2.153 93 G HA2 -0.217 3.743 3.960 0.001 0.000 0.252 93 G HA3 -0.217 3.743 3.960 0.001 0.000 0.252 93 G C 0.169 175.137 174.900 0.114 0.000 0.994 93 G CA -0.355 44.814 45.100 0.115 0.000 0.698 93 G HN 0.436 nan 8.290 nan 0.000 0.521 94 R N -0.457 120.091 120.500 0.079 0.000 2.604 94 R HA 0.699 5.040 4.340 0.001 0.000 0.287 94 R C 0.394 176.715 176.300 0.036 0.000 0.970 94 R CA -1.149 54.979 56.100 0.046 0.000 0.946 94 R CB 0.997 31.314 30.300 0.028 0.000 1.127 94 R HN 0.276 nan 8.270 nan 0.000 0.473 95 I N 3.532 124.089 120.570 -0.023 0.000 2.353 95 I HA 0.388 4.559 4.170 0.001 0.000 0.293 95 I C 0.253 176.388 176.117 0.029 0.000 0.992 95 I CA -0.377 60.927 61.300 0.006 0.000 1.268 95 I CB 0.929 38.847 38.000 -0.137 0.000 1.387 95 I HN 0.298 nan 8.210 nan 0.000 0.478 96 I N 5.152 125.772 120.570 0.083 0.000 2.957 96 I HA 0.384 4.554 4.170 0.001 0.000 0.310 96 I C 0.126 176.281 176.117 0.064 0.000 1.063 96 I CA -0.784 60.545 61.300 0.048 0.000 1.033 96 I CB 1.608 39.623 38.000 0.026 0.000 1.230 96 I HN 0.496 nan 8.210 nan 0.000 0.447 97 N N 0.792 119.512 118.700 0.032 0.000 2.405 97 N HA 0.182 4.923 4.740 0.001 0.000 0.269 97 N C 0.761 176.282 175.510 0.018 0.000 1.249 97 N CA -0.287 52.782 53.050 0.031 0.000 0.974 97 N CB 1.292 39.788 38.487 0.014 0.000 1.204 97 N HN 0.487 nan 8.380 nan 0.000 0.565 98 V N 1.069 120.993 119.914 0.017 0.000 2.379 98 V HA -0.053 4.067 4.120 0.001 0.000 0.245 98 V C 1.521 177.609 176.094 -0.010 0.000 1.044 98 V CA 1.518 63.818 62.300 0.001 0.000 1.036 98 V CB -0.429 31.400 31.823 0.011 0.000 0.664 98 V HN 0.633 nan 8.190 nan 0.000 0.453 99 I N -0.559 120.010 120.570 -0.002 0.000 3.752 99 I HA 0.468 4.638 4.170 0.001 0.000 0.313 99 I C 1.169 177.278 176.117 -0.013 0.000 1.304 99 I CA 0.415 61.711 61.300 -0.006 0.000 1.171 99 I CB -1.118 36.884 38.000 0.003 0.000 1.038 99 I HN 0.343 nan 8.210 nan 0.000 0.427 100 G N 1.529 110.319 108.800 -0.018 0.000 2.359 100 G HA2 -0.267 3.693 3.960 0.001 0.000 0.298 100 G HA3 -0.267 3.693 3.960 0.001 0.000 0.298 100 G C -0.277 174.611 174.900 -0.020 0.000 1.030 100 G CA 0.214 45.299 45.100 -0.025 0.000 1.149 100 G HN 0.718 nan 8.290 nan 0.000 0.512 101 E N -0.216 119.978 120.200 -0.010 0.000 2.336 101 E HA 0.504 4.854 4.350 0.001 0.000 0.267 101 E C -2.656 173.940 176.600 -0.006 0.000 0.906 101 E CA -2.459 53.936 56.400 -0.009 0.000 0.781 101 E CB 2.461 32.158 29.700 -0.006 0.000 1.261 101 E HN 0.109 nan 8.360 nan 0.000 0.436 102 P HA 0.145 nan 4.420 nan 0.000 0.282 102 P C -0.181 177.108 177.300 -0.018 0.000 1.262 102 P CA 0.141 63.233 63.100 -0.013 0.000 0.773 102 P CB 0.212 31.905 31.700 -0.012 0.000 0.879 103 I N -0.577 119.975 120.570 -0.029 0.000 3.966 103 I HA 0.306 4.477 4.170 0.001 0.000 0.324 103 I C 0.012 176.080 176.117 -0.083 0.000 1.517 103 I CA -0.223 61.051 61.300 -0.042 0.000 1.117 103 I CB 0.204 38.186 38.000 -0.030 0.000 1.190 103 I HN -0.030 nan 8.210 nan 0.000 0.466 104 D N 0.458 120.804 120.400 -0.090 0.000 2.561 104 D HA 0.048 4.689 4.640 0.001 0.000 0.232 104 D C 0.323 176.593 176.300 -0.050 0.000 1.198 104 D CA -0.312 53.608 54.000 -0.133 0.000 0.826 104 D CB -0.330 40.360 40.800 -0.182 0.000 0.992 104 D HN 0.429 nan 8.370 nan 0.000 0.490 105 E N -0.099 120.081 120.200 -0.033 0.000 2.450 105 E HA -0.286 4.064 4.350 0.001 0.000 0.244 105 E C -0.053 176.550 176.600 0.005 0.000 1.226 105 E CA 0.384 56.779 56.400 -0.009 0.000 0.720 105 E CB -0.790 28.910 29.700 -0.001 0.000 1.254 105 E HN 0.471 nan 8.360 nan 0.000 0.399 106 R N -0.530 119.972 120.500 0.003 0.000 2.698 106 R HA 0.281 4.621 4.340 0.001 0.000 0.422 106 R C 0.459 176.764 176.300 0.009 0.000 1.073 106 R CA 0.247 56.356 56.100 0.015 0.000 1.054 106 R CB 1.234 31.552 30.300 0.031 0.000 1.373 106 R HN 0.305 nan 8.270 nan 0.000 0.593 107 G N 1.797 110.598 108.800 0.003 0.000 2.782 107 G HA2 -0.235 3.726 3.960 0.001 0.000 0.228 107 G HA3 -0.235 3.726 3.960 0.001 0.000 0.228 107 G C -2.559 172.340 174.900 -0.002 0.000 1.372 107 G CA -1.217 43.883 45.100 0.001 0.000 0.862 107 G HN 0.080 nan 8.290 nan 0.000 0.547 108 P HA 0.387 nan 4.420 nan 0.000 0.268 108 P C 0.196 177.490 177.300 -0.010 0.000 1.204 108 P CA -0.173 62.922 63.100 -0.009 0.000 0.768 108 P CB 0.398 32.093 31.700 -0.009 0.000 0.842 109 I N 3.857 124.418 120.570 -0.016 0.000 2.311 109 I HA 0.051 4.221 4.170 0.001 0.000 0.297 109 I C 0.915 177.013 176.117 -0.031 0.000 1.131 109 I CA -0.017 61.270 61.300 -0.021 0.000 1.289 109 I CB -0.160 37.825 38.000 -0.026 0.000 1.446 109 I HN 0.082 nan 8.210 nan 0.000 0.524 110 K N 5.720 126.104 120.400 -0.026 0.000 2.278 110 K HA 0.162 4.482 4.320 0.001 0.000 0.237 110 K C 0.491 177.066 176.600 -0.041 0.000 1.229 110 K CA -0.193 56.077 56.287 -0.028 0.000 1.155 110 K CB -0.106 32.383 32.500 -0.017 0.000 1.590 110 K HN 0.631 nan 8.250 nan 0.000 0.290 111 S N 0.490 116.152 115.700 -0.063 0.000 2.686 111 S HA 0.212 4.683 4.470 0.001 0.000 0.270 111 S C 1.023 175.573 174.600 -0.082 0.000 1.194 111 S CA -0.640 57.504 58.200 -0.093 0.000 0.990 111 S CB 1.366 64.478 63.200 -0.146 0.000 1.029 111 S HN 0.385 nan 8.310 nan 0.000 0.560 112 K N -0.453 119.888 120.400 -0.098 0.000 2.099 112 K HA 0.276 4.596 4.320 0.001 0.000 0.203 112 K C -0.004 176.549 176.600 -0.080 0.000 1.047 112 K CA 0.640 56.885 56.287 -0.070 0.000 0.963 112 K CB -0.365 32.106 32.500 -0.049 0.000 0.759 112 K HN 0.462 nan 8.250 nan 0.000 0.451 113 L N 1.107 122.251 121.223 -0.130 0.000 2.342 113 L HA 0.399 4.739 4.340 0.001 0.000 0.271 113 L C -0.332 176.451 176.870 -0.145 0.000 1.008 113 L CA -0.838 53.929 54.840 -0.120 0.000 0.818 113 L CB 2.015 44.005 42.059 -0.114 0.000 1.296 113 L HN -0.084 nan 8.230 nan 0.000 0.427 114 R N 2.090 122.532 120.500 -0.096 0.000 2.437 114 R HA 0.499 4.839 4.340 0.001 0.000 0.310 114 R C -1.007 175.252 176.300 -0.069 0.000 0.955 114 R CA -0.816 55.229 56.100 -0.092 0.000 0.851 114 R CB 2.009 32.271 30.300 -0.064 0.000 1.161 114 R HN 0.478 nan 8.270 nan 0.000 0.446 115 K N 3.545 123.899 120.400 -0.077 0.000 2.156 115 K HA 0.429 4.749 4.320 0.001 0.000 0.250 115 K C -2.350 174.228 176.600 -0.036 0.000 0.955 115 K CA -2.026 54.235 56.287 -0.044 0.000 0.855 115 K CB 1.873 34.351 32.500 -0.036 0.000 1.101 115 K HN 0.318 nan 8.250 nan 0.000 0.434 116 P HA 0.022 nan 4.420 nan 0.000 0.269 116 P C 0.561 177.834 177.300 -0.045 0.000 1.215 116 P CA 0.062 63.159 63.100 -0.005 0.000 0.780 116 P CB 0.372 32.092 31.700 0.033 0.000 0.898 117 I N -1.438 119.066 120.570 -0.110 0.000 2.876 117 I HA 0.068 4.238 4.170 0.001 0.000 0.264 117 I C 0.842 176.798 176.117 -0.269 0.000 1.204 117 I CA 0.612 61.779 61.300 -0.223 0.000 1.485 117 I CB -0.819 36.984 38.000 -0.328 0.000 1.103 117 I HN 0.222 nan 8.210 nan 0.000 0.446 118 H N 2.777 121.837 119.070 -0.017 0.000 2.552 118 H HA 0.797 5.353 4.556 0.001 0.000 0.311 118 H C -0.443 174.875 175.328 -0.017 0.000 1.071 118 H CA -0.293 55.745 56.048 -0.016 0.000 1.307 118 H CB 1.437 31.193 29.762 -0.010 0.000 1.416 118 H HN 0.400 nan 8.280 nan 0.000 0.464 119 A N 3.380 126.251 122.820 0.086 0.000 2.589 119 A HA 0.312 4.632 4.320 0.001 0.000 0.296 119 A C -1.091 176.509 177.584 0.028 0.000 1.062 119 A CA -1.022 51.041 52.037 0.042 0.000 0.686 119 A CB 1.327 20.337 19.000 0.017 0.000 1.282 119 A HN 0.533 nan 8.150 nan 0.000 0.404 120 D N 2.849 123.260 120.400 0.019 0.000 2.382 120 D HA 0.448 5.089 4.640 0.001 0.000 0.245 120 D C -2.008 174.295 176.300 0.005 0.000 1.120 120 D CA -0.241 53.767 54.000 0.013 0.000 0.890 120 D CB 0.454 41.261 40.800 0.012 0.000 1.201 120 D HN 0.360 nan 8.370 nan 0.000 0.433 121 P HA 0.180 nan 4.420 nan 0.000 0.271 121 P C -2.526 174.778 177.300 0.008 0.000 1.218 121 P CA -1.148 61.950 63.100 -0.003 0.000 0.780 121 P CB -0.320 31.377 31.700 -0.005 0.000 0.901 122 P HA -0.052 nan 4.420 nan 0.000 0.263 122 P C 0.669 177.988 177.300 0.031 0.000 1.175 122 P CA 0.507 63.611 63.100 0.007 0.000 0.761 122 P CB 0.110 31.807 31.700 -0.004 0.000 0.794 123 S N 2.792 118.513 115.700 0.036 0.000 2.626 123 S HA 0.109 4.579 4.470 0.001 0.000 0.257 123 S C 0.899 175.569 174.600 0.116 0.000 1.288 123 S CA -0.260 57.985 58.200 0.075 0.000 0.980 123 S CB -0.018 63.221 63.200 0.064 0.000 0.975 123 S HN 0.366 nan 8.310 nan 0.000 0.577 124 F N 1.153 121.103 119.950 0.001 0.000 2.187 124 F HA 0.201 4.728 4.527 0.001 0.000 0.295 124 F C 2.504 178.304 175.800 0.001 0.000 1.091 124 F CA 1.191 59.192 58.000 0.003 0.000 1.308 124 F CB -1.142 37.861 39.000 0.004 0.000 1.030 124 F HN 0.704 nan 8.300 nan 0.000 0.487 125 A N 0.188 123.008 122.820 -0.000 0.000 1.940 125 A HA -0.234 4.087 4.320 0.001 0.000 0.219 125 A C 1.952 179.449 177.584 -0.145 0.000 1.176 125 A CA 1.922 53.892 52.037 -0.113 0.000 0.631 125 A CB -0.930 18.067 19.000 -0.005 0.000 0.814 125 A HN 0.584 nan 8.150 nan 0.000 0.446 126 E N 0.076 120.223 120.200 -0.087 0.000 2.512 126 E HA -0.029 4.321 4.350 0.001 0.000 0.195 126 E C 0.103 176.645 176.600 -0.097 0.000 1.083 126 E CA -0.115 56.240 56.400 -0.074 0.000 0.873 126 E CB 0.066 29.745 29.700 -0.035 0.000 0.897 126 E HN 0.574 nan 8.360 nan 0.000 0.514 127 Q N 0.319 120.018 119.800 -0.168 0.000 2.382 127 Q HA 0.273 4.613 4.340 0.001 0.000 0.229 127 Q C -0.290 175.625 176.000 -0.141 0.000 1.006 127 Q CA 0.080 55.788 55.803 -0.157 0.000 0.916 127 Q CB 1.820 30.414 28.738 -0.239 0.000 1.235 127 Q HN -0.046 nan 8.270 nan 0.000 0.512 128 S N 0.258 115.902 115.700 -0.093 0.000 2.599 128 S HA 0.395 4.865 4.470 0.001 0.000 0.269 128 S C -1.028 173.547 174.600 -0.043 0.000 1.135 128 S CA -0.446 57.713 58.200 -0.069 0.000 1.027 128 S CB 0.483 63.651 63.200 -0.052 0.000 1.129 128 S HN 0.646 nan 8.310 nan 0.000 0.458 129 T N 0.963 115.494 114.554 -0.038 0.000 2.942 129 T HA 0.958 5.309 4.350 0.001 0.000 0.289 129 T C -0.399 174.295 174.700 -0.010 0.000 1.044 129 T CA -0.490 61.600 62.100 -0.017 0.000 1.023 129 T CB 1.634 70.497 68.868 -0.009 0.000 1.123 129 T HN 1.401 nan 8.240 nan 0.000 0.512 130 S N -0.876 114.825 115.700 0.001 0.000 2.614 130 S HA 0.644 5.114 4.470 0.001 0.000 0.280 130 S C -1.029 173.580 174.600 0.015 0.000 1.111 130 S CA -0.792 57.411 58.200 0.005 0.000 0.847 130 S CB 0.808 64.011 63.200 0.004 0.000 1.079 130 S HN 1.695 nan 8.310 nan 0.000 0.452 131 A N 1.002 123.833 122.820 0.018 0.000 3.064 131 A HA 0.685 5.006 4.320 0.001 0.000 0.339 131 A C -0.256 177.346 177.584 0.031 0.000 1.078 131 A CA -0.354 51.699 52.037 0.026 0.000 0.869 131 A CB -0.163 18.851 19.000 0.024 0.000 1.067 131 A HN 0.779 nan 8.150 nan 0.000 0.480 132 E N 2.263 122.484 120.200 0.036 0.000 2.133 132 E HA 0.521 4.872 4.350 0.001 0.000 0.274 132 E C -0.582 176.052 176.600 0.058 0.000 0.930 132 E CA -0.606 55.819 56.400 0.041 0.000 0.770 132 E CB 0.660 30.380 29.700 0.034 0.000 1.104 132 E HN 0.573 nan 8.360 nan 0.000 0.403 133 I N 3.862 124.470 120.570 0.063 0.000 2.872 133 I HA -0.069 4.101 4.170 0.001 0.000 0.291 133 I C 0.020 176.189 176.117 0.086 0.000 1.216 133 I CA 0.328 61.676 61.300 0.081 0.000 1.424 133 I CB 0.310 38.359 38.000 0.081 0.000 1.351 133 I HN 0.527 nan 8.210 nan 0.000 0.592 134 L N 6.115 127.405 121.223 0.112 0.000 2.417 134 L HA 0.374 4.714 4.340 0.001 0.000 0.259 134 L C -0.084 176.855 176.870 0.116 0.000 1.023 134 L CA -0.224 54.687 54.840 0.118 0.000 0.901 134 L CB 0.975 43.122 42.059 0.146 0.000 1.227 134 L HN 0.547 nan 8.230 nan 0.000 0.454 135 E N 1.419 121.666 120.200 0.078 0.000 2.502 135 E HA -0.031 4.319 4.350 0.001 0.000 0.261 135 E C 0.350 176.986 176.600 0.059 0.000 0.974 135 E CA 0.981 57.413 56.400 0.052 0.000 0.936 135 E CB 0.851 30.574 29.700 0.037 0.000 0.926 135 E HN 0.787 nan 8.360 nan 0.000 0.459 136 T N 0.481 115.055 114.554 0.032 0.000 2.955 136 T HA 0.284 4.635 4.350 0.001 0.000 0.251 136 T C 1.293 175.988 174.700 -0.008 0.000 1.002 136 T CA 0.519 62.641 62.100 0.036 0.000 0.970 136 T CB 0.497 69.392 68.868 0.045 0.000 1.091 136 T HN 0.732 nan 8.240 nan 0.000 0.495 137 G N 1.616 110.411 108.800 -0.009 0.000 2.176 137 G HA2 -0.191 3.769 3.960 0.001 0.000 0.253 137 G HA3 -0.191 3.769 3.960 0.001 0.000 0.253 137 G C -0.036 174.872 174.900 0.012 0.000 0.979 137 G CA 0.113 45.209 45.100 -0.007 0.000 0.641 137 G HN 0.654 nan 8.290 nan 0.000 0.530 138 I N 1.345 121.922 120.570 0.013 0.000 2.297 138 I HA 0.265 4.435 4.170 0.001 0.000 0.291 138 I C 1.611 177.746 176.117 0.030 0.000 1.033 138 I CA -0.670 60.680 61.300 0.084 0.000 1.253 138 I CB 1.239 39.312 38.000 0.122 0.000 1.396 138 I HN 0.013 nan 8.210 nan 0.000 0.476 139 K N 3.922 124.330 120.400 0.013 0.000 2.015 139 K HA -0.214 4.106 4.320 0.001 0.000 0.216 139 K C 1.891 178.433 176.600 -0.098 0.000 1.052 139 K CA 2.022 58.274 56.287 -0.058 0.000 0.937 139 K CB -0.305 32.149 32.500 -0.077 0.000 0.719 139 K HN 0.678 nan 8.250 nan 0.000 0.446 140 V N -0.634 119.258 119.914 -0.037 0.000 2.380 140 V HA -0.220 3.901 4.120 0.001 0.000 0.251 140 V C 2.194 178.250 176.094 -0.063 0.000 1.063 140 V CA 1.697 63.969 62.300 -0.047 0.000 1.055 140 V CB -0.931 30.916 31.823 0.040 0.000 0.657 140 V HN 0.039 nan 8.190 nan 0.000 0.455 141 V N 0.410 120.294 119.914 -0.051 0.000 2.283 141 V HA -0.112 4.008 4.120 0.001 0.000 0.239 141 V C 2.436 178.427 176.094 -0.172 0.000 1.035 141 V CA 1.956 64.150 62.300 -0.176 0.000 1.018 141 V CB -0.826 30.782 31.823 -0.358 0.000 0.658 141 V HN 0.409 nan 8.190 nan 0.000 0.459 142 D N 0.202 120.519 120.400 -0.138 0.000 2.268 142 D HA -0.250 4.391 4.640 0.001 0.000 0.189 142 D C 1.839 178.126 176.300 -0.021 0.000 1.010 142 D CA 2.070 56.024 54.000 -0.077 0.000 0.862 142 D CB -0.387 40.366 40.800 -0.079 0.000 0.943 142 D HN 0.300 nan 8.370 nan 0.000 0.451 143 L N -0.425 120.743 121.223 -0.091 0.000 2.023 143 L HA 0.025 4.365 4.340 0.001 0.000 0.205 143 L C 2.044 178.959 176.870 0.074 0.000 1.073 143 L CA 1.473 56.279 54.840 -0.058 0.000 0.745 143 L CB -0.337 41.509 42.059 -0.354 0.000 0.900 143 L HN 0.094 nan 8.230 nan 0.000 0.435 144 L N -1.084 120.101 121.223 -0.064 0.000 2.269 144 L HA 0.276 4.617 4.340 0.001 0.000 0.200 144 L C 0.806 177.638 176.870 -0.064 0.000 1.069 144 L CA 0.581 55.371 54.840 -0.083 0.000 0.804 144 L CB -0.175 41.821 42.059 -0.104 0.000 0.987 144 L HN 0.243 nan 8.230 nan 0.000 0.468 145 A N 0.421 123.209 122.820 -0.053 0.000 3.030 145 A HA 0.511 4.832 4.320 0.001 0.000 0.335 145 A C -2.562 174.999 177.584 -0.038 0.000 1.089 145 A CA -1.148 50.877 52.037 -0.020 0.000 0.807 145 A CB -0.080 18.934 19.000 0.024 0.000 1.099 145 A HN -0.107 nan 8.150 nan 0.000 0.474 146 P HA 0.136 nan 4.420 nan 0.000 0.267 146 P C -0.497 176.872 177.300 0.116 0.000 1.209 146 P CA 0.406 63.504 63.100 -0.005 0.000 0.763 146 P CB 0.077 31.805 31.700 0.048 0.000 0.816 147 Y N 1.921 122.272 120.300 0.085 0.000 2.426 147 Y HA 0.364 4.914 4.550 0.001 0.000 0.344 147 Y C 1.159 177.095 175.900 0.060 0.000 1.256 147 Y CA -1.000 57.147 58.100 0.078 0.000 1.451 147 Y CB -0.193 38.322 38.460 0.090 0.000 1.342 147 Y HN 0.338 nan 8.280 nan 0.000 0.600 148 A N 3.396 126.348 122.820 0.219 0.000 2.343 148 A HA 0.594 4.914 4.320 0.001 0.000 0.316 148 A C -0.294 177.340 177.584 0.083 0.000 1.104 148 A CA -1.117 50.994 52.037 0.123 0.000 0.768 148 A CB 0.779 19.834 19.000 0.090 0.000 1.213 148 A HN 0.783 nan 8.150 nan 0.000 0.456 149 R N 1.055 121.597 120.500 0.071 0.000 2.484 149 R HA 0.340 4.680 4.340 0.001 0.000 0.293 149 R C 1.149 177.465 176.300 0.028 0.000 1.023 149 R CA 1.281 57.412 56.100 0.051 0.000 1.037 149 R CB 0.243 30.575 30.300 0.053 0.000 0.951 149 R HN 1.673 nan 8.270 nan 0.000 0.418 150 G N 1.972 110.777 108.800 0.008 0.000 2.143 150 G HA2 -0.242 3.718 3.960 0.001 0.000 0.248 150 G HA3 -0.242 3.718 3.960 0.001 0.000 0.248 150 G C 0.408 175.299 174.900 -0.014 0.000 0.991 150 G CA -0.021 45.076 45.100 -0.006 0.000 0.689 150 G HN 0.875 nan 8.290 nan 0.000 0.522 151 G N -0.870 107.921 108.800 -0.015 0.000 2.568 151 G HA2 0.641 4.601 3.960 0.001 0.000 0.293 151 G HA3 0.641 4.601 3.960 0.001 0.000 0.293 151 G C -0.293 174.581 174.900 -0.044 0.000 1.347 151 G CA -0.789 44.305 45.100 -0.010 0.000 1.039 151 G HN 0.360 nan 8.290 nan 0.000 0.523 152 K N 0.094 120.478 120.400 -0.027 0.000 2.425 152 K HA 0.448 4.769 4.320 0.001 0.000 0.259 152 K C -0.855 175.716 176.600 -0.048 0.000 0.978 152 K CA -0.199 56.059 56.287 -0.048 0.000 0.883 152 K CB 1.930 34.421 32.500 -0.015 0.000 1.110 152 K HN 0.260 nan 8.250 nan 0.000 0.436 153 I N 1.122 121.615 120.570 -0.129 0.000 2.525 153 I HA 0.499 4.669 4.170 0.001 0.000 0.301 153 I C 0.427 176.479 176.117 -0.109 0.000 0.992 153 I CA -0.645 60.545 61.300 -0.183 0.000 1.162 153 I CB 2.060 39.768 38.000 -0.486 0.000 1.332 153 I HN 0.635 nan 8.210 nan 0.000 0.458 154 G N 5.378 114.166 108.800 -0.019 0.000 2.701 154 G HA2 0.658 4.618 3.960 0.001 0.000 0.300 154 G HA3 0.658 4.618 3.960 0.001 0.000 0.300 154 G C -1.323 173.591 174.900 0.023 0.000 1.410 154 G CA -0.578 44.495 45.100 -0.045 0.000 1.014 154 G HN 0.407 nan 8.290 nan 0.000 0.509 155 L N 1.744 122.895 121.223 -0.120 0.000 2.265 155 L HA 0.520 4.860 4.340 0.001 0.000 0.289 155 L C -0.794 175.966 176.870 -0.182 0.000 1.033 155 L CA -0.640 54.163 54.840 -0.061 0.000 0.814 155 L CB 0.953 42.984 42.059 -0.047 0.000 1.203 155 L HN 0.307 nan 8.230 nan 0.000 0.423 156 F N 1.404 121.318 119.950 -0.060 0.000 2.422 156 F HA 0.826 5.354 4.527 0.000 0.000 0.333 156 F C 0.825 176.595 175.800 -0.050 0.000 1.095 156 F CA -0.590 57.370 58.000 -0.067 0.000 1.038 156 F CB 2.101 41.072 39.000 -0.048 0.000 1.156 156 F HN 0.474 nan 8.300 nan 0.000 0.483 157 G N 0.600 109.437 108.800 0.061 0.000 2.442 157 G HA2 0.470 4.430 3.960 0.001 0.000 0.296 157 G HA3 0.470 4.430 3.960 0.001 0.000 0.296 157 G C -0.692 174.173 174.900 -0.058 0.000 1.564 157 G CA -0.320 44.796 45.100 0.026 0.000 0.828 157 G HN 0.920 nan 8.290 nan 0.000 0.571 158 G N -0.515 108.235 108.800 -0.083 0.000 2.525 158 G HA2 0.666 4.627 3.960 0.001 0.000 0.276 158 G HA3 0.666 4.627 3.960 0.001 0.000 0.276 158 G C 0.727 175.701 174.900 0.123 0.000 1.388 158 G CA 0.464 45.497 45.100 -0.111 0.000 1.050 158 G HN 1.744 nan 8.290 nan 0.000 0.520 159 A N -1.536 121.411 122.820 0.212 0.000 2.409 159 A HA 0.544 4.864 4.320 0.001 0.000 0.262 159 A C 1.398 179.066 177.584 0.139 0.000 1.113 159 A CA 0.842 53.026 52.037 0.245 0.000 0.790 159 A CB -0.326 18.805 19.000 0.219 0.000 1.046 159 A HN 2.507 nan 8.150 nan 0.000 0.496 160 G N 1.123 109.996 108.800 0.123 0.000 2.249 160 G HA2 -0.181 3.779 3.960 0.001 0.000 0.273 160 G HA3 -0.181 3.779 3.960 0.001 0.000 0.273 160 G C 0.631 175.596 174.900 0.108 0.000 1.036 160 G CA 1.049 46.207 45.100 0.097 0.000 0.824 160 G HN 1.980 nan 8.290 nan 0.000 0.504 161 V N -3.777 116.205 119.914 0.113 0.000 2.825 161 V HA 0.650 4.770 4.120 0.001 0.000 0.246 161 V C 1.664 177.859 176.094 0.167 0.000 1.068 161 V CA 0.977 63.346 62.300 0.115 0.000 1.088 161 V CB 0.179 32.042 31.823 0.068 0.000 0.733 161 V HN 2.174 nan 8.190 nan 0.000 0.468 162 G N 0.942 109.833 108.800 0.152 0.000 2.587 162 G HA2 -0.088 3.872 3.960 0.001 0.000 0.216 162 G HA3 -0.088 3.872 3.960 0.001 0.000 0.216 162 G C 0.046 175.073 174.900 0.212 0.000 1.124 162 G CA 0.049 45.259 45.100 0.183 0.000 0.858 162 G HN 0.463 nan 8.290 nan 0.000 0.523 163 K N -0.416 120.085 120.400 0.168 0.000 2.128 163 K HA 0.098 4.418 4.320 0.001 0.000 0.202 163 K C 2.523 179.254 176.600 0.219 0.000 1.050 163 K CA 1.483 57.873 56.287 0.172 0.000 0.966 163 K CB -0.131 32.434 32.500 0.107 0.000 0.759 163 K HN 0.244 nan 8.250 nan 0.000 0.454 164 T N 1.377 116.035 114.554 0.174 0.000 2.652 164 T HA -0.145 4.206 4.350 0.001 0.000 0.267 164 T C 2.083 176.875 174.700 0.154 0.000 1.039 164 T CA 1.414 63.612 62.100 0.163 0.000 1.153 164 T CB -0.391 68.557 68.868 0.133 0.000 0.863 164 T HN -0.079 nan 8.240 nan 0.000 0.428 165 V N 0.828 120.828 119.914 0.144 0.000 2.343 165 V HA -0.135 3.985 4.120 0.001 0.000 0.247 165 V C 2.022 178.221 176.094 0.175 0.000 1.051 165 V CA 1.620 63.996 62.300 0.127 0.000 1.036 165 V CB -0.721 31.146 31.823 0.072 0.000 0.654 165 V HN 0.406 nan 8.190 nan 0.000 0.451 166 F N 0.032 120.073 119.950 0.153 0.000 2.091 166 F HA -0.269 4.258 4.527 0.000 0.000 0.299 166 F C 2.139 177.970 175.800 0.052 0.000 1.103 166 F CA 2.058 60.157 58.000 0.166 0.000 1.228 166 F CB -0.182 38.957 39.000 0.233 0.000 0.984 166 F HN 0.056 nan 8.300 nan 0.000 0.477 167 I N -0.162 120.580 120.570 0.286 0.000 2.286 167 I HA -0.332 3.838 4.170 0.001 0.000 0.248 167 I C 2.265 178.352 176.117 -0.050 0.000 1.115 167 I CA 1.399 62.806 61.300 0.178 0.000 1.392 167 I CB -0.347 37.792 38.000 0.231 0.000 1.065 167 I HN 0.260 nan 8.210 nan 0.000 0.418 168 Q N -0.233 119.523 119.800 -0.073 0.000 2.226 168 Q HA -0.273 4.068 4.340 0.001 0.000 0.204 168 Q C 1.892 177.748 176.000 -0.241 0.000 0.975 168 Q CA 1.296 56.999 55.803 -0.166 0.000 0.866 168 Q CB -0.025 28.654 28.738 -0.099 0.000 0.915 168 Q HN 0.364 nan 8.270 nan 0.000 0.440 169 E N 0.732 120.721 120.200 -0.351 0.000 2.107 169 E HA -0.072 4.278 4.350 0.001 0.000 0.191 169 E C 1.692 178.035 176.600 -0.429 0.000 0.982 169 E CA 0.671 56.734 56.400 -0.562 0.000 0.809 169 E CB -0.029 28.929 29.700 -1.236 0.000 0.756 169 E HN 0.262 nan 8.360 nan 0.000 0.459 170 L N 0.049 121.077 121.223 -0.325 0.000 2.027 170 L HA -0.147 4.194 4.340 0.001 0.000 0.206 170 L C 2.357 179.193 176.870 -0.057 0.000 1.074 170 L CA 1.052 55.832 54.840 -0.101 0.000 0.745 170 L CB -0.407 41.719 42.059 0.112 0.000 0.898 170 L HN 0.202 nan 8.230 nan 0.000 0.433 171 I N -0.000 120.434 120.570 -0.226 0.000 2.151 171 I HA -0.375 3.795 4.170 0.001 0.000 0.243 171 I C 2.340 178.353 176.117 -0.173 0.000 1.080 171 I CA 1.652 62.746 61.300 -0.343 0.000 1.339 171 I CB -0.583 37.062 38.000 -0.591 0.000 1.039 171 I HN 0.399 nan 8.210 nan 0.000 0.409 172 N N 1.453 120.042 118.700 -0.185 0.000 2.021 172 N HA -0.220 4.521 4.740 0.001 0.000 0.198 172 N C 1.495 176.950 175.510 -0.093 0.000 1.041 172 N CA 2.209 55.173 53.050 -0.143 0.000 0.862 172 N CB -0.165 38.217 38.487 -0.174 0.000 1.048 172 N HN 0.283 nan 8.380 nan 0.000 0.427 173 N N 0.235 118.878 118.700 -0.094 0.000 2.085 173 N HA -0.017 4.723 4.740 0.001 0.000 0.191 173 N C 2.005 177.519 175.510 0.007 0.000 1.058 173 N CA 1.387 54.409 53.050 -0.047 0.000 0.849 173 N CB -0.732 37.719 38.487 -0.059 0.000 1.038 173 N HN 0.334 nan 8.380 nan 0.000 0.434 174 I N 1.508 122.103 120.570 0.041 0.000 2.127 174 I HA -0.237 3.933 4.170 0.001 0.000 0.241 174 I C 2.383 178.564 176.117 0.108 0.000 1.075 174 I CA 1.423 62.778 61.300 0.091 0.000 1.334 174 I CB -0.564 37.510 38.000 0.123 0.000 1.040 174 I HN 0.071 nan 8.210 nan 0.000 0.405 175 A N 0.723 123.602 122.820 0.098 0.000 1.978 175 A HA -0.209 4.111 4.320 0.001 0.000 0.220 175 A C 2.335 179.973 177.584 0.091 0.000 1.170 175 A CA 1.594 53.689 52.037 0.097 0.000 0.636 175 A CB -0.452 18.594 19.000 0.076 0.000 0.810 175 A HN 0.367 nan 8.150 nan 0.000 0.448 176 K N -0.379 120.051 120.400 0.050 0.000 1.973 176 K HA -0.002 4.318 4.320 0.001 0.000 0.210 176 K C 1.262 177.893 176.600 0.052 0.000 1.045 176 K CA 1.176 57.484 56.287 0.035 0.000 0.937 176 K CB -0.277 32.226 32.500 0.005 0.000 0.721 176 K HN 0.352 nan 8.250 nan 0.000 0.438 177 A N 1.359 124.211 122.820 0.053 0.000 3.118 177 A HA 0.050 4.371 4.320 0.001 0.000 0.256 177 A C 0.392 178.028 177.584 0.086 0.000 1.667 177 A CA 0.096 52.160 52.037 0.046 0.000 1.338 177 A CB -0.619 18.396 19.000 0.026 0.000 1.127 177 A HN 0.459 nan 8.150 nan 0.000 0.634 178 H N -0.741 118.324 119.070 -0.009 0.000 2.926 178 H HA 0.359 4.915 4.556 0.001 0.000 0.249 178 H C 1.581 176.877 175.328 -0.054 0.000 0.963 178 H CA 1.506 57.543 56.048 -0.018 0.000 1.158 178 H CB 0.539 30.305 29.762 0.006 0.000 1.445 178 H HN 0.725 nan 8.280 nan 0.000 0.452 179 G N 0.249 108.987 108.800 -0.103 0.000 3.548 179 G HA2 -0.354 3.607 3.960 0.001 0.000 0.224 179 G HA3 -0.354 3.607 3.960 0.001 0.000 0.224 179 G C 1.106 175.854 174.900 -0.252 0.000 1.351 179 G CA 0.568 45.555 45.100 -0.188 0.000 0.905 179 G HN 0.855 nan 8.290 nan 0.000 0.561 180 G N -0.022 108.518 108.800 -0.432 0.000 2.525 180 G HA2 0.496 4.456 3.960 0.001 0.000 0.276 180 G HA3 0.496 4.456 3.960 0.001 0.000 0.276 180 G C -0.112 174.693 174.900 -0.157 0.000 1.388 180 G CA -0.132 44.709 45.100 -0.432 0.000 1.050 180 G HN 0.465 nan 8.290 nan 0.000 0.520 181 F N -0.602 119.377 119.950 0.049 0.000 2.384 181 F HA 0.554 5.081 4.527 0.001 0.000 0.338 181 F C 0.881 176.618 175.800 -0.105 0.000 1.103 181 F CA -0.561 57.359 58.000 -0.133 0.000 1.157 181 F CB 1.685 40.377 39.000 -0.513 0.000 1.167 181 F HN 0.163 nan 8.300 nan 0.000 0.529 182 S N 0.956 116.726 115.700 0.116 0.000 2.537 182 S HA 0.793 5.263 4.470 0.001 0.000 0.301 182 S C -1.078 173.568 174.600 0.075 0.000 1.092 182 S CA -0.652 57.602 58.200 0.091 0.000 1.048 182 S CB 1.580 64.894 63.200 0.189 0.000 1.053 182 S HN 0.319 nan 8.310 nan 0.000 0.501 183 V N 3.938 123.914 119.914 0.102 0.000 2.385 183 V HA 0.398 4.519 4.120 0.001 0.000 0.277 183 V C -0.862 175.315 176.094 0.138 0.000 1.012 183 V CA -0.671 61.688 62.300 0.097 0.000 0.832 183 V CB 0.498 32.359 31.823 0.063 0.000 1.028 183 V HN 0.827 nan 8.190 nan 0.000 0.436 184 F N 3.238 123.217 119.950 0.049 0.000 2.410 184 F HA 0.640 5.168 4.527 0.000 0.000 0.348 184 F C 0.563 176.257 175.800 -0.176 0.000 1.106 184 F CA 0.404 58.411 58.000 0.011 0.000 1.163 184 F CB 1.369 40.369 39.000 0.001 0.000 1.129 184 F HN 0.429 nan 8.300 nan 0.000 0.516 185 T N 4.928 119.001 114.554 -0.801 0.000 2.864 185 T HA 0.387 4.737 4.350 0.001 0.000 0.299 185 T C 0.047 174.306 174.700 -0.734 0.000 1.011 185 T CA -0.602 61.123 62.100 -0.626 0.000 0.975 185 T CB 1.045 69.681 68.868 -0.387 0.000 0.962 185 T HN 0.860 nan 8.240 nan 0.000 0.448 186 G N 2.573 110.978 108.800 -0.659 0.000 2.448 186 G HA2 0.502 4.462 3.960 0.001 0.000 0.309 186 G HA3 0.502 4.462 3.960 0.001 0.000 0.309 186 G C -0.265 174.597 174.900 -0.064 0.000 1.027 186 G CA -0.321 44.650 45.100 -0.215 0.000 1.104 186 G HN 0.652 nan 8.290 nan 0.000 0.428 187 V N 2.282 122.163 119.914 -0.054 0.000 2.435 187 V HA 0.646 4.766 4.120 0.001 0.000 0.290 187 V C 1.263 177.387 176.094 0.050 0.000 1.030 187 V CA 0.132 62.434 62.300 0.002 0.000 0.881 187 V CB 1.132 32.945 31.823 -0.018 0.000 0.983 187 V HN 1.201 nan 8.190 nan 0.000 0.445 188 G N 2.853 111.691 108.800 0.064 0.000 2.416 188 G HA2 -0.200 3.760 3.960 0.001 0.000 0.301 188 G HA3 -0.200 3.760 3.960 0.001 0.000 0.301 188 G C 0.176 175.115 174.900 0.065 0.000 0.985 188 G CA 0.587 45.723 45.100 0.060 0.000 0.934 188 G HN 0.660 nan 8.290 nan 0.000 0.513 189 E N -0.840 119.420 120.200 0.101 0.000 2.469 189 E HA 0.446 4.797 4.350 0.001 0.000 0.246 189 E C 0.893 177.554 176.600 0.103 0.000 0.969 189 E CA -0.963 55.499 56.400 0.104 0.000 0.881 189 E CB 0.737 30.527 29.700 0.150 0.000 1.320 189 E HN 0.440 nan 8.360 nan 0.000 0.421 190 R N 0.049 120.605 120.500 0.094 0.000 2.438 190 R HA 0.196 4.536 4.340 0.001 0.000 0.287 190 R C 1.163 177.503 176.300 0.065 0.000 1.077 190 R CA 0.064 56.205 56.100 0.068 0.000 1.034 190 R CB 0.190 30.524 30.300 0.056 0.000 0.993 190 R HN 0.415 nan 8.270 nan 0.000 0.459 191 T N 1.952 116.522 114.554 0.027 0.000 2.821 191 T HA -0.181 4.169 4.350 0.001 0.000 0.267 191 T C 1.768 176.440 174.700 -0.046 0.000 1.046 191 T CA 1.233 63.315 62.100 -0.029 0.000 1.139 191 T CB -0.185 68.658 68.868 -0.040 0.000 0.871 191 T HN 0.610 nan 8.240 nan 0.000 0.454 192 R N 1.596 122.089 120.500 -0.012 0.000 2.162 192 R HA -0.264 4.076 4.340 0.001 0.000 0.245 192 R C 2.167 178.468 176.300 0.002 0.000 1.129 192 R CA 2.327 58.425 56.100 -0.004 0.000 0.940 192 R CB -0.386 29.924 30.300 0.016 0.000 0.875 192 R HN 0.490 nan 8.270 nan 0.000 0.437 193 E N -0.976 119.244 120.200 0.034 0.000 2.097 193 E HA -0.184 4.166 4.350 0.001 0.000 0.196 193 E C 1.953 178.583 176.600 0.049 0.000 1.000 193 E CA 1.309 57.745 56.400 0.060 0.000 0.804 193 E CB -0.311 29.456 29.700 0.113 0.000 0.740 193 E HN 0.708 nan 8.360 nan 0.000 0.454 194 G N 1.521 110.330 108.800 0.015 0.000 2.402 194 G HA2 -0.300 3.660 3.960 0.001 0.000 0.216 194 G HA3 -0.300 3.660 3.960 0.001 0.000 0.216 194 G C 1.385 176.124 174.900 -0.267 0.000 1.162 194 G CA 0.709 45.688 45.100 -0.202 0.000 0.777 194 G HN 0.215 nan 8.290 nan 0.000 0.539 195 N N 1.030 119.622 118.700 -0.180 0.000 2.223 195 N HA -0.123 4.618 4.740 0.001 0.000 0.185 195 N C 1.389 176.896 175.510 -0.005 0.000 1.016 195 N CA 1.480 54.486 53.050 -0.074 0.000 0.863 195 N CB -0.260 38.193 38.487 -0.056 0.000 0.983 195 N HN 0.144 nan 8.380 nan 0.000 0.429 196 D N 0.740 121.130 120.400 -0.017 0.000 2.123 196 D HA -0.100 4.541 4.640 0.001 0.000 0.200 196 D C 1.958 178.244 176.300 -0.023 0.000 0.976 196 D CA 0.358 54.349 54.000 -0.014 0.000 0.831 196 D CB -0.252 40.545 40.800 -0.006 0.000 0.974 196 D HN 0.222 nan 8.370 nan 0.000 0.469 197 L N 0.197 121.406 121.223 -0.024 0.000 2.131 197 L HA -0.166 4.174 4.340 0.001 0.000 0.210 197 L C 2.055 178.939 176.870 0.023 0.000 1.092 197 L CA 1.348 56.153 54.840 -0.059 0.000 0.759 197 L CB -0.636 41.342 42.059 -0.135 0.000 0.903 197 L HN 0.025 nan 8.230 nan 0.000 0.435 198 Y N -0.042 120.215 120.300 -0.072 0.000 2.314 198 Y HA -0.148 4.402 4.550 0.001 0.000 0.293 198 Y C 2.770 178.641 175.900 -0.049 0.000 1.129 198 Y CA 1.667 59.738 58.100 -0.048 0.000 1.201 198 Y CB -0.201 38.222 38.460 -0.063 0.000 0.999 198 Y HN 0.198 nan 8.280 nan 0.000 0.541 199 R N 0.240 120.675 120.500 -0.108 0.000 2.066 199 R HA -0.193 4.148 4.340 0.001 0.000 0.232 199 R C 2.223 178.435 176.300 -0.146 0.000 1.131 199 R CA 1.741 57.740 56.100 -0.168 0.000 0.955 199 R CB -0.319 29.928 30.300 -0.089 0.000 0.851 199 R HN 0.275 nan 8.270 nan 0.000 0.432 200 E N 0.463 120.603 120.200 -0.100 0.000 2.130 200 E HA -0.204 4.146 4.350 0.001 0.000 0.196 200 E C 1.788 178.329 176.600 -0.099 0.000 0.998 200 E CA 1.900 58.243 56.400 -0.094 0.000 0.806 200 E CB -0.045 29.599 29.700 -0.094 0.000 0.738 200 E HN 0.326 nan 8.360 nan 0.000 0.459 201 M N -0.117 119.423 119.600 -0.101 0.000 2.193 201 M HA 0.002 4.483 4.480 0.001 0.000 0.265 201 M C 2.107 178.352 176.300 -0.093 0.000 1.071 201 M CA 1.300 56.554 55.300 -0.077 0.000 1.140 201 M CB -0.653 31.931 32.600 -0.026 0.000 1.369 201 M HN 0.024 nan 8.290 nan 0.000 0.423 202 K N 0.459 120.761 120.400 -0.163 0.000 2.360 202 K HA -0.139 4.181 4.320 0.001 0.000 0.201 202 K C 1.803 178.334 176.600 -0.115 0.000 1.046 202 K CA 0.992 57.179 56.287 -0.168 0.000 0.945 202 K CB 0.041 32.366 32.500 -0.291 0.000 0.750 202 K HN 0.448 nan 8.250 nan 0.000 0.464 203 E N -0.763 119.374 120.200 -0.104 0.000 2.127 203 E HA -0.070 4.281 4.350 0.001 0.000 0.191 203 E C 1.852 178.417 176.600 -0.059 0.000 0.964 203 E CA 1.319 57.672 56.400 -0.078 0.000 0.832 203 E CB 0.291 29.944 29.700 -0.078 0.000 0.790 203 E HN 0.363 nan 8.360 nan 0.000 0.465 204 T N -2.327 112.193 114.554 -0.058 0.000 3.035 204 T HA 0.075 4.426 4.350 0.001 0.000 0.268 204 T C 1.610 176.290 174.700 -0.032 0.000 1.109 204 T CA 0.696 62.769 62.100 -0.044 0.000 1.119 204 T CB 0.181 69.021 68.868 -0.046 0.000 0.900 204 T HN 0.296 nan 8.240 nan 0.000 0.503 205 G N 0.288 109.067 108.800 -0.035 0.000 2.141 205 G HA2 -0.292 3.668 3.960 0.001 0.000 0.242 205 G HA3 -0.292 3.668 3.960 0.001 0.000 0.242 205 G C 0.838 175.735 174.900 -0.004 0.000 0.982 205 G CA 0.176 45.264 45.100 -0.021 0.000 0.662 205 G HN 0.538 nan 8.290 nan 0.000 0.527 206 V N -0.060 119.851 119.914 -0.005 0.000 2.295 206 V HA 0.068 4.189 4.120 0.001 0.000 0.246 206 V C 1.734 177.849 176.094 0.035 0.000 1.049 206 V CA 1.905 64.216 62.300 0.018 0.000 1.024 206 V CB -0.204 31.626 31.823 0.012 0.000 0.648 206 V HN 0.488 nan 8.190 nan 0.000 0.447 207 I N 1.078 121.661 120.570 0.022 0.000 2.321 207 I HA 0.284 4.454 4.170 0.001 0.000 0.291 207 I C -0.350 175.772 176.117 0.009 0.000 0.998 207 I CA 0.102 61.425 61.300 0.038 0.000 1.227 207 I CB 0.935 38.972 38.000 0.063 0.000 1.368 207 I HN 0.130 nan 8.210 nan 0.000 0.466 208 N N 6.039 124.754 118.700 0.026 0.000 2.626 208 N HA 0.351 5.091 4.740 0.001 0.000 0.249 208 N C 0.792 176.318 175.510 0.027 0.000 1.021 208 N CA -0.447 52.611 53.050 0.014 0.000 0.886 208 N CB 1.256 39.752 38.487 0.016 0.000 1.149 208 N HN 0.477 nan 8.380 nan 0.000 0.517 209 L N 0.658 121.894 121.223 0.022 0.000 2.051 209 L HA -0.205 4.135 4.340 0.001 0.000 0.214 209 L C 1.258 178.147 176.870 0.030 0.000 1.076 209 L CA 1.460 56.323 54.840 0.038 0.000 0.758 209 L CB -0.085 41.992 42.059 0.030 0.000 0.890 209 L HN 0.446 nan 8.230 nan 0.000 0.433 210 E N -0.382 119.829 120.200 0.019 0.000 2.452 210 E HA 0.115 4.466 4.350 0.001 0.000 0.197 210 E C 1.141 177.753 176.600 0.020 0.000 1.022 210 E CA 0.451 56.862 56.400 0.017 0.000 0.890 210 E CB 0.322 30.028 29.700 0.010 0.000 0.918 210 E HN 0.435 nan 8.360 nan 0.000 0.496 211 G N -0.429 108.384 108.800 0.023 0.000 2.849 211 G HA2 0.250 4.211 3.960 0.001 0.000 0.174 211 G HA3 0.250 4.211 3.960 0.001 0.000 0.174 211 G C -0.042 174.880 174.900 0.038 0.000 1.370 211 G CA -0.514 44.602 45.100 0.027 0.000 1.040 211 G HN -0.107 nan 8.290 nan 0.000 0.582 212 E N -0.640 119.586 120.200 0.045 0.000 2.292 212 E HA 0.589 4.939 4.350 0.001 0.000 0.258 212 E C -0.754 175.886 176.600 0.068 0.000 1.115 212 E CA -0.195 56.242 56.400 0.062 0.000 0.929 212 E CB 1.574 31.319 29.700 0.074 0.000 1.161 212 E HN 0.211 nan 8.360 nan 0.000 0.453 213 S N 0.006 115.758 115.700 0.088 0.000 2.536 213 S HA 0.261 4.732 4.470 0.001 0.000 0.271 213 S C 0.337 175.018 174.600 0.135 0.000 1.134 213 S CA -0.725 57.530 58.200 0.092 0.000 0.897 213 S CB 1.894 65.141 63.200 0.079 0.000 1.094 213 S HN 0.316 nan 8.310 nan 0.000 0.473 214 K N 0.495 120.976 120.400 0.136 0.000 2.352 214 K HA 0.280 4.600 4.320 0.001 0.000 0.194 214 K C 0.347 177.050 176.600 0.172 0.000 1.038 214 K CA 0.355 56.761 56.287 0.198 0.000 1.023 214 K CB 0.583 33.166 32.500 0.139 0.000 0.840 214 K HN 0.341 nan 8.250 nan 0.000 0.519 215 V N -0.079 119.901 119.914 0.109 0.000 3.158 215 V HA 0.760 4.880 4.120 0.001 0.000 0.315 215 V C -1.655 174.482 176.094 0.073 0.000 1.148 215 V CA -0.797 61.560 62.300 0.096 0.000 1.042 215 V CB 2.032 33.924 31.823 0.116 0.000 1.101 215 V HN 0.110 nan 8.190 nan 0.000 0.448 216 A N 3.205 126.080 122.820 0.091 0.000 2.475 216 A HA 0.875 5.195 4.320 0.001 0.000 0.301 216 A C -1.741 175.922 177.584 0.132 0.000 1.059 216 A CA -0.609 51.487 52.037 0.099 0.000 0.710 216 A CB 1.605 20.658 19.000 0.089 0.000 1.288 216 A HN 0.749 nan 8.150 nan 0.000 0.408 217 L N 1.837 123.140 121.223 0.134 0.000 2.356 217 L HA 0.671 5.011 4.340 0.001 0.000 0.277 217 L C -1.041 175.880 176.870 0.085 0.000 0.996 217 L CA -0.907 54.028 54.840 0.159 0.000 0.822 217 L CB 1.921 44.192 42.059 0.354 0.000 1.256 217 L HN 0.453 nan 8.230 nan 0.000 0.413 218 V N 2.617 122.464 119.914 -0.113 0.000 2.588 218 V HA 0.527 4.647 4.120 0.001 0.000 0.304 218 V C -0.963 174.931 176.094 -0.333 0.000 1.042 218 V CA -0.540 61.697 62.300 -0.104 0.000 0.877 218 V CB 1.963 33.730 31.823 -0.094 0.000 0.996 218 V HN 0.423 nan 8.190 nan 0.000 0.425 219 F N 2.078 122.044 119.950 0.026 0.000 2.659 219 F HA 0.684 5.211 4.527 0.000 0.000 0.342 219 F C 0.594 176.403 175.800 0.014 0.000 1.168 219 F CA -0.440 57.580 58.000 0.033 0.000 1.003 219 F CB 2.308 41.330 39.000 0.036 0.000 1.267 219 F HN 0.603 nan 8.300 nan 0.000 0.463 220 G N 4.129 113.017 108.800 0.147 0.000 3.205 220 G HA2 0.414 4.374 3.960 0.001 0.000 0.343 220 G HA3 0.414 4.374 3.960 0.001 0.000 0.343 220 G C -0.521 174.449 174.900 0.116 0.000 1.305 220 G CA -0.385 44.777 45.100 0.104 0.000 1.120 220 G HN 0.307 nan 8.290 nan 0.000 0.472 221 Q N 1.216 121.099 119.800 0.139 0.000 2.222 221 Q HA 0.214 4.554 4.340 0.001 0.000 0.211 221 Q C 1.966 178.012 176.000 0.076 0.000 1.013 221 Q CA -0.643 55.239 55.803 0.132 0.000 0.993 221 Q CB 0.996 29.817 28.738 0.139 0.000 1.151 221 Q HN 0.731 nan 8.270 nan 0.000 0.544 222 M N -0.285 119.354 119.600 0.065 0.000 2.632 222 M HA -0.075 4.405 4.480 0.001 0.000 0.256 222 M C 0.858 177.175 176.300 0.029 0.000 1.080 222 M CA 1.296 56.620 55.300 0.040 0.000 1.084 222 M CB -0.399 32.219 32.600 0.032 0.000 1.439 222 M HN 0.352 nan 8.290 nan 0.000 0.509 223 N N 0.212 118.930 118.700 0.030 0.000 2.446 223 N HA -0.017 4.724 4.740 0.001 0.000 0.179 223 N C -0.006 175.516 175.510 0.020 0.000 1.054 223 N CA 0.530 53.593 53.050 0.021 0.000 0.905 223 N CB -0.383 38.114 38.487 0.017 0.000 0.973 223 N HN 0.370 nan 8.380 nan 0.000 0.448 224 E N 1.859 122.075 120.200 0.026 0.000 2.398 224 E HA 0.247 4.598 4.350 0.001 0.000 0.263 224 E C -2.056 174.554 176.600 0.016 0.000 1.046 224 E CA -1.822 54.592 56.400 0.024 0.000 0.908 224 E CB -0.010 29.709 29.700 0.033 0.000 0.963 224 E HN 0.225 nan 8.360 nan 0.000 0.431 225 P HA -0.003 nan 4.420 nan 0.000 0.269 225 P C -1.780 175.523 177.300 0.005 0.000 1.217 225 P CA -0.791 62.314 63.100 0.008 0.000 0.783 225 P CB 0.063 31.769 31.700 0.009 0.000 0.898 226 P HA -0.138 nan 4.420 nan 0.000 0.220 226 P C 1.435 178.728 177.300 -0.011 0.000 1.148 226 P CA 1.642 64.733 63.100 -0.016 0.000 0.803 226 P CB -0.423 31.260 31.700 -0.028 0.000 0.782 227 G N 0.949 109.750 108.800 0.002 0.000 2.433 227 G HA2 -0.236 3.724 3.960 0.001 0.000 0.216 227 G HA3 -0.236 3.724 3.960 0.001 0.000 0.216 227 G C 1.836 176.751 174.900 0.026 0.000 1.186 227 G CA 1.265 46.374 45.100 0.015 0.000 0.779 227 G HN 0.335 nan 8.290 nan 0.000 0.543 228 A N 0.881 123.715 122.820 0.023 0.000 1.884 228 A HA -0.157 4.164 4.320 0.001 0.000 0.219 228 A C 2.420 180.023 177.584 0.032 0.000 1.197 228 A CA 1.980 54.033 52.037 0.027 0.000 0.637 228 A CB -0.505 18.511 19.000 0.026 0.000 0.827 228 A HN 0.367 nan 8.150 nan 0.000 0.450 229 R N -0.898 119.619 120.500 0.028 0.000 2.235 229 R HA 0.075 4.415 4.340 0.001 0.000 0.213 229 R C 1.985 178.318 176.300 0.054 0.000 1.059 229 R CA 0.728 56.848 56.100 0.033 0.000 0.997 229 R CB -0.280 30.029 30.300 0.015 0.000 0.884 229 R HN 0.515 nan 8.270 nan 0.000 0.462 230 A N 0.374 123.219 122.820 0.040 0.000 2.238 230 A HA 0.037 4.357 4.320 0.001 0.000 0.208 230 A C 1.618 179.315 177.584 0.188 0.000 1.177 230 A CA 0.555 52.627 52.037 0.059 0.000 0.804 230 A CB 0.170 19.159 19.000 -0.018 0.000 0.823 230 A HN 0.061 nan 8.150 nan 0.000 0.482 231 R N -2.568 118.005 120.500 0.121 0.000 2.562 231 R HA 0.108 4.449 4.340 0.001 0.000 0.191 231 R C 1.676 177.979 176.300 0.005 0.000 0.835 231 R CA 0.881 57.022 56.100 0.068 0.000 1.036 231 R CB -0.912 29.412 30.300 0.041 0.000 1.437 231 R HN 0.256 nan 8.270 nan 0.000 0.654 232 V N 2.202 122.121 119.914 0.009 0.000 2.527 232 V HA -0.265 3.855 4.120 0.001 0.000 0.255 232 V C 2.170 178.223 176.094 -0.069 0.000 1.081 232 V CA 2.309 64.595 62.300 -0.024 0.000 1.092 232 V CB -0.416 31.405 31.823 -0.004 0.000 0.673 232 V HN 0.373 nan 8.190 nan 0.000 0.470 233 A N -0.805 121.968 122.820 -0.079 0.000 1.929 233 A HA -0.047 4.273 4.320 0.001 0.000 0.216 233 A C 2.070 179.554 177.584 -0.167 0.000 1.176 233 A CA 1.519 53.468 52.037 -0.147 0.000 0.628 233 A CB -0.417 18.466 19.000 -0.194 0.000 0.816 233 A HN 0.553 nan 8.150 nan 0.000 0.444 234 L N -0.574 120.553 121.223 -0.160 0.000 2.131 234 L HA -0.167 4.174 4.340 0.001 0.000 0.210 234 L C 2.711 179.490 176.870 -0.153 0.000 1.092 234 L CA 1.630 56.364 54.840 -0.176 0.000 0.759 234 L CB -0.894 41.035 42.059 -0.217 0.000 0.903 234 L HN 0.320 nan 8.230 nan 0.000 0.435 235 T N -0.263 114.215 114.554 -0.128 0.000 2.674 235 T HA -0.124 4.226 4.350 0.001 0.000 0.265 235 T C 1.908 176.559 174.700 -0.083 0.000 1.039 235 T CA 1.396 63.436 62.100 -0.099 0.000 1.150 235 T CB -0.620 68.203 68.868 -0.076 0.000 0.864 235 T HN 0.556 nan 8.240 nan 0.000 0.427 236 G N 1.860 110.604 108.800 -0.094 0.000 2.553 236 G HA2 -0.231 3.730 3.960 0.001 0.000 0.218 236 G HA3 -0.231 3.730 3.960 0.001 0.000 0.218 236 G C 1.524 176.386 174.900 -0.063 0.000 1.195 236 G CA 1.177 46.226 45.100 -0.086 0.000 0.779 236 G HN 0.395 nan 8.290 nan 0.000 0.577 237 L N 1.135 122.302 121.223 -0.093 0.000 1.990 237 L HA -0.100 4.240 4.340 0.001 0.000 0.213 237 L C 3.055 179.899 176.870 -0.044 0.000 1.072 237 L CA 2.931 57.722 54.840 -0.081 0.000 0.755 237 L CB -1.280 40.708 42.059 -0.120 0.000 0.889 237 L HN 0.295 nan 8.230 nan 0.000 0.432 238 T N 0.164 114.684 114.554 -0.058 0.000 2.649 238 T HA -0.285 4.065 4.350 0.001 0.000 0.268 238 T C 1.985 176.677 174.700 -0.014 0.000 1.036 238 T CA 2.296 64.373 62.100 -0.039 0.000 1.157 238 T CB -0.533 68.296 68.868 -0.065 0.000 0.861 238 T HN 0.376 nan 8.240 nan 0.000 0.445 239 I N 1.183 121.746 120.570 -0.012 0.000 2.142 239 I HA -0.186 3.984 4.170 0.001 0.000 0.240 239 I C 3.038 179.244 176.117 0.148 0.000 1.078 239 I CA 1.226 62.534 61.300 0.012 0.000 1.343 239 I CB -0.669 37.371 38.000 0.066 0.000 1.046 239 I HN 0.233 nan 8.210 nan 0.000 0.405 240 A N 0.498 123.436 122.820 0.197 0.000 1.873 240 A HA -0.281 4.040 4.320 0.001 0.000 0.218 240 A C 2.192 179.889 177.584 0.188 0.000 1.193 240 A CA 2.003 54.192 52.037 0.254 0.000 0.629 240 A CB -0.811 18.251 19.000 0.102 0.000 0.826 240 A HN 0.456 nan 8.150 nan 0.000 0.447 241 E N -2.016 118.233 120.200 0.082 0.000 2.219 241 E HA -0.238 4.112 4.350 0.001 0.000 0.198 241 E C 1.756 178.373 176.600 0.028 0.000 0.998 241 E CA 1.442 57.866 56.400 0.040 0.000 0.818 241 E CB -0.257 29.448 29.700 0.007 0.000 0.741 241 E HN 0.796 nan 8.360 nan 0.000 0.477 242 Y N -0.080 120.152 120.300 -0.112 0.000 2.133 242 Y HA -0.222 4.328 4.550 0.001 0.000 0.287 242 Y C 1.777 177.580 175.900 -0.163 0.000 1.134 242 Y CA 1.549 59.521 58.100 -0.214 0.000 1.133 242 Y CB -0.262 37.945 38.460 -0.422 0.000 0.987 242 Y HN -0.031 nan 8.280 nan 0.000 0.502 243 F N 0.217 120.273 119.950 0.177 0.000 2.307 243 F HA -0.173 4.354 4.527 0.001 0.000 0.301 243 F C 2.594 178.447 175.800 0.088 0.000 1.076 243 F CA 1.736 59.829 58.000 0.155 0.000 1.383 243 F CB -0.517 38.600 39.000 0.195 0.000 1.055 243 F HN 0.052 nan 8.300 nan 0.000 0.526 244 R N 0.053 120.659 120.500 0.177 0.000 2.075 244 R HA -0.057 4.283 4.340 0.001 0.000 0.220 244 R C 1.540 177.841 176.300 0.002 0.000 1.118 244 R CA 1.432 57.587 56.100 0.092 0.000 0.986 244 R CB -0.130 30.206 30.300 0.061 0.000 0.884 244 R HN 0.092 nan 8.270 nan 0.000 0.439 245 D N 0.066 120.421 120.400 -0.075 0.000 2.259 245 D HA -0.040 4.600 4.640 0.001 0.000 0.216 245 D C 1.708 177.894 176.300 -0.191 0.000 0.961 245 D CA 0.736 54.666 54.000 -0.117 0.000 0.878 245 D CB 0.278 41.008 40.800 -0.118 0.000 1.009 245 D HN 0.254 nan 8.370 nan 0.000 0.490 246 E N 1.057 121.033 120.200 -0.374 0.000 2.030 246 E HA -0.021 4.329 4.350 0.001 0.000 0.189 246 E C 1.168 177.619 176.600 -0.248 0.000 0.974 246 E CA 0.567 56.683 56.400 -0.473 0.000 0.807 246 E CB -0.034 28.954 29.700 -1.186 0.000 0.771 246 E HN 0.363 nan 8.360 nan 0.000 0.451 247 E N 0.682 120.780 120.200 -0.171 0.000 2.403 247 E HA 0.154 4.504 4.350 0.001 0.000 0.188 247 E C 0.241 176.899 176.600 0.097 0.000 1.056 247 E CA -0.023 56.406 56.400 0.048 0.000 0.892 247 E CB 0.164 30.000 29.700 0.226 0.000 1.049 247 E HN 0.228 nan 8.360 nan 0.000 0.465 248 G N 2.656 111.476 108.800 0.032 0.000 2.216 248 G HA2 -0.263 3.698 3.960 0.001 0.000 0.263 248 G HA3 -0.263 3.698 3.960 0.001 0.000 0.263 248 G C -0.067 174.873 174.900 0.067 0.000 0.837 248 G CA 0.590 45.711 45.100 0.035 0.000 1.227 248 G HN 0.071 nan 8.290 nan 0.000 0.407 249 Q N -0.113 119.757 119.800 0.117 0.000 2.399 249 Q HA 0.400 4.740 4.340 0.001 0.000 0.276 249 Q C -0.465 175.587 176.000 0.086 0.000 1.098 249 Q CA -0.954 54.916 55.803 0.112 0.000 0.827 249 Q CB 1.498 30.388 28.738 0.253 0.000 1.386 249 Q HN 0.358 nan 8.270 nan 0.000 0.443 250 D N 0.728 121.147 120.400 0.032 0.000 2.338 250 D HA 0.271 4.911 4.640 0.001 0.000 0.255 250 D C -0.714 175.696 176.300 0.182 0.000 1.237 250 D CA 0.115 54.163 54.000 0.080 0.000 0.883 250 D CB 0.631 41.446 40.800 0.026 0.000 1.087 250 D HN 0.059 nan 8.370 nan 0.000 0.485 251 V N 3.198 123.190 119.914 0.130 0.000 2.417 251 V HA 0.344 4.464 4.120 0.001 0.000 0.291 251 V C 0.297 176.348 176.094 -0.073 0.000 1.024 251 V CA -0.970 61.380 62.300 0.083 0.000 0.861 251 V CB 1.504 33.387 31.823 0.101 0.000 0.985 251 V HN 0.339 nan 8.190 nan 0.000 0.436 252 L N 5.430 126.522 121.223 -0.219 0.000 2.265 252 L HA 0.475 4.815 4.340 0.001 0.000 0.288 252 L C -0.586 176.039 176.870 -0.408 0.000 1.058 252 L CA -0.423 54.160 54.840 -0.429 0.000 0.809 252 L CB 1.420 43.160 42.059 -0.530 0.000 1.179 252 L HN 0.526 nan 8.230 nan 0.000 0.429 253 L N 5.501 126.396 121.223 -0.546 0.000 2.366 253 L HA 0.463 4.803 4.340 0.001 0.000 0.266 253 L C -1.027 175.558 176.870 -0.474 0.000 1.010 253 L CA 0.014 54.634 54.840 -0.367 0.000 0.879 253 L CB 0.572 42.499 42.059 -0.219 0.000 1.228 253 L HN 0.166 nan 8.230 nan 0.000 0.439 254 F N 5.571 125.439 119.950 -0.136 0.000 2.404 254 F HA 0.502 5.030 4.527 0.001 0.000 0.358 254 F C 0.341 175.832 175.800 -0.514 0.000 1.120 254 F CA -0.406 57.465 58.000 -0.215 0.000 1.144 254 F CB 0.580 39.584 39.000 0.007 0.000 1.133 254 F HN 0.215 nan 8.300 nan 0.000 0.495 255 I N 2.845 123.266 120.570 -0.248 0.000 2.412 255 I HA 0.409 4.579 4.170 0.001 0.000 0.296 255 I C -0.973 174.998 176.117 -0.244 0.000 0.987 255 I CA -0.475 60.628 61.300 -0.327 0.000 1.180 255 I CB 1.888 39.744 38.000 -0.240 0.000 1.340 255 I HN 0.489 nan 8.210 nan 0.000 0.455 256 D N 4.960 125.201 120.400 -0.264 0.000 2.419 256 D HA 0.170 4.811 4.640 0.001 0.000 0.219 256 D C -1.508 174.767 176.300 -0.042 0.000 1.349 256 D CA -0.404 53.546 54.000 -0.084 0.000 0.964 256 D CB 0.966 41.785 40.800 0.032 0.000 1.463 256 D HN 0.385 nan 8.370 nan 0.000 0.573 257 N N 4.078 122.786 118.700 0.013 0.000 2.342 257 N HA 0.299 5.039 4.740 0.001 0.000 0.293 257 N C 0.519 176.060 175.510 0.052 0.000 1.026 257 N CA -0.523 52.553 53.050 0.044 0.000 0.857 257 N CB 1.810 40.363 38.487 0.111 0.000 1.256 257 N HN 0.590 nan 8.380 nan 0.000 0.484 258 I N 3.158 123.741 120.570 0.022 0.000 2.830 258 I HA -0.121 4.049 4.170 0.001 0.000 0.263 258 I C 1.556 177.756 176.117 0.138 0.000 1.230 258 I CA 0.440 61.752 61.300 0.019 0.000 1.480 258 I CB -0.080 37.875 38.000 -0.074 0.000 1.095 258 I HN 0.532 nan 8.210 nan 0.000 0.455 259 F N 1.891 121.877 119.950 0.060 0.000 2.126 259 F HA -0.232 4.296 4.527 0.001 0.000 0.299 259 F C 2.312 178.202 175.800 0.150 0.000 1.096 259 F CA 1.525 59.601 58.000 0.126 0.000 1.255 259 F CB -0.336 38.786 39.000 0.204 0.000 0.997 259 F HN -0.048 nan 8.300 nan 0.000 0.479 260 R N 0.116 120.624 120.500 0.013 0.000 2.303 260 R HA -0.192 4.149 4.340 0.001 0.000 0.225 260 R C 2.036 178.280 176.300 -0.094 0.000 1.114 260 R CA 1.168 57.218 56.100 -0.083 0.000 1.007 260 R CB -1.790 28.541 30.300 0.052 0.000 0.861 260 R HN 0.549 nan 8.270 nan 0.000 0.471 261 F N 0.787 120.626 119.950 -0.185 0.000 2.219 261 F HA -0.049 4.478 4.527 0.000 0.000 0.294 261 F C 1.729 177.429 175.800 -0.166 0.000 1.086 261 F CA 1.188 59.103 58.000 -0.142 0.000 1.330 261 F CB -0.174 38.761 39.000 -0.107 0.000 1.047 261 F HN -0.170 nan 8.300 nan 0.000 0.495 262 T N 0.372 114.610 114.554 -0.526 0.000 2.896 262 T HA -0.149 4.201 4.350 0.001 0.000 0.263 262 T C 1.866 176.316 174.700 -0.417 0.000 1.050 262 T CA 1.207 62.962 62.100 -0.575 0.000 1.140 262 T CB -0.362 68.347 68.868 -0.264 0.000 0.877 262 T HN 0.440 nan 8.240 nan 0.000 0.457 263 Q N 1.231 120.680 119.800 -0.584 0.000 2.061 263 Q HA -0.171 4.169 4.340 0.001 0.000 0.204 263 Q C 2.486 178.354 176.000 -0.220 0.000 0.984 263 Q CA 1.790 57.367 55.803 -0.377 0.000 0.846 263 Q CB -0.378 28.074 28.738 -0.475 0.000 0.902 263 Q HN 0.516 nan 8.270 nan 0.000 0.421 264 A N 0.585 123.262 122.820 -0.238 0.000 1.908 264 A HA -0.154 4.167 4.320 0.001 0.000 0.218 264 A C 2.306 179.779 177.584 -0.184 0.000 1.181 264 A CA 1.748 53.684 52.037 -0.169 0.000 0.627 264 A CB -1.466 17.452 19.000 -0.136 0.000 0.818 264 A HN 0.650 nan 8.150 nan 0.000 0.445 265 G N -0.006 108.618 108.800 -0.293 0.000 2.469 265 G HA2 -0.266 3.695 3.960 0.001 0.000 0.219 265 G HA3 -0.266 3.695 3.960 0.001 0.000 0.219 265 G C 1.995 176.820 174.900 -0.126 0.000 1.150 265 G CA 2.009 46.958 45.100 -0.251 0.000 0.763 265 G HN 0.883 nan 8.290 nan 0.000 0.561 266 S N 0.409 116.054 115.700 -0.093 0.000 2.371 266 S HA -0.022 4.449 4.470 0.001 0.000 0.224 266 S C 1.931 176.491 174.600 -0.067 0.000 1.029 266 S CA 1.403 59.571 58.200 -0.052 0.000 0.978 266 S CB -0.416 62.747 63.200 -0.060 0.000 0.833 266 S HN 0.533 nan 8.310 nan 0.000 0.466 267 E N 0.914 121.069 120.200 -0.074 0.000 2.136 267 E HA -0.181 4.169 4.350 0.001 0.000 0.202 267 E C 2.241 178.816 176.600 -0.043 0.000 1.019 267 E CA 1.935 58.301 56.400 -0.056 0.000 0.819 267 E CB -0.512 29.157 29.700 -0.052 0.000 0.739 267 E HN 0.726 nan 8.360 nan 0.000 0.458 268 V N -2.678 117.208 119.914 -0.046 0.000 2.992 268 V HA 0.021 4.142 4.120 0.001 0.000 0.250 268 V C 2.167 178.246 176.094 -0.025 0.000 1.090 268 V CA 1.219 63.500 62.300 -0.031 0.000 1.101 268 V CB 0.416 32.222 31.823 -0.029 0.000 0.743 268 V HN 0.078 nan 8.190 nan 0.000 0.468 269 S N 1.288 116.969 115.700 -0.031 0.000 2.374 269 S HA -0.205 4.266 4.470 0.001 0.000 0.227 269 S C 2.124 176.717 174.600 -0.012 0.000 1.037 269 S CA 2.190 60.378 58.200 -0.021 0.000 1.024 269 S CB -0.534 62.656 63.200 -0.017 0.000 0.861 269 S HN 0.999 nan 8.310 nan 0.000 0.456 270 A N 1.132 123.944 122.820 -0.015 0.000 1.897 270 A HA 0.135 4.455 4.320 0.001 0.000 0.215 270 A C 2.131 179.711 177.584 -0.006 0.000 1.181 270 A CA 1.211 53.242 52.037 -0.010 0.000 0.620 270 A CB -0.655 18.337 19.000 -0.013 0.000 0.821 270 A HN 0.581 nan 8.150 nan 0.000 0.443 271 L N -0.748 120.470 121.223 -0.007 0.000 2.201 271 L HA -0.075 4.266 4.340 0.001 0.000 0.212 271 L C 2.047 178.918 176.870 0.001 0.000 1.105 271 L CA 0.561 55.399 54.840 -0.003 0.000 0.775 271 L CB -0.503 41.554 42.059 -0.003 0.000 0.913 271 L HN 0.309 nan 8.230 nan 0.000 0.440 272 L N 0.037 121.260 121.223 -0.001 0.000 2.622 272 L HA 0.026 4.367 4.340 0.001 0.000 0.233 272 L C 1.441 178.314 176.870 0.005 0.000 1.156 272 L CA 0.714 55.556 54.840 0.003 0.000 0.866 272 L CB -0.377 41.681 42.059 -0.001 0.000 0.980 272 L HN 0.517 nan 8.230 nan 0.000 0.448 273 G N 0.011 108.813 108.800 0.003 0.000 2.141 273 G HA2 -0.248 3.712 3.960 0.001 0.000 0.231 273 G HA3 -0.248 3.712 3.960 0.001 0.000 0.231 273 G C 0.260 175.162 174.900 0.004 0.000 0.984 273 G CA -0.429 44.674 45.100 0.005 0.000 0.660 273 G HN 0.309 nan 8.290 nan 0.000 0.525 274 R N -0.289 120.213 120.500 0.003 0.000 2.459 274 R HA 0.591 4.931 4.340 0.001 0.000 0.281 274 R C 0.837 177.141 176.300 0.006 0.000 1.050 274 R CA -0.640 55.463 56.100 0.005 0.000 1.055 274 R CB 0.872 31.175 30.300 0.005 0.000 1.045 274 R HN 0.303 nan 8.270 nan 0.000 0.495 275 I N 5.093 125.669 120.570 0.009 0.000 2.556 275 I HA 0.102 4.273 4.170 0.001 0.000 0.284 275 I C -1.514 174.612 176.117 0.015 0.000 1.114 275 I CA -1.656 59.650 61.300 0.010 0.000 1.418 275 I CB 0.558 38.565 38.000 0.011 0.000 1.394 275 I HN 0.363 nan 8.210 nan 0.000 0.552 276 P HA 0.154 nan 4.420 nan 0.000 0.275 276 P C -0.534 176.787 177.300 0.036 0.000 1.266 276 P CA -0.363 62.750 63.100 0.022 0.000 0.793 276 P CB 1.092 32.797 31.700 0.007 0.000 1.074 277 S N -1.359 114.378 115.700 0.060 0.000 2.823 277 S HA 0.680 5.151 4.470 0.001 0.000 0.316 277 S C -0.663 173.996 174.600 0.098 0.000 1.116 277 S CA -0.590 57.656 58.200 0.077 0.000 0.911 277 S CB 0.511 63.766 63.200 0.093 0.000 1.276 277 S HN 0.591 nan 8.310 nan 0.000 0.565 278 A N 0.670 123.555 122.820 0.109 0.000 2.540 278 A HA 0.443 4.763 4.320 0.001 0.000 0.239 278 A C 1.077 178.772 177.584 0.185 0.000 1.061 278 A CA 0.554 52.660 52.037 0.115 0.000 0.758 278 A CB -0.937 18.123 19.000 0.099 0.000 0.991 278 A HN 1.733 nan 8.150 nan 0.000 0.502 279 V N 1.137 121.123 119.914 0.120 0.000 2.886 279 V HA -0.298 3.822 4.120 0.001 0.000 0.162 279 V C 1.626 177.681 176.094 -0.066 0.000 0.448 279 V CA 1.594 63.944 62.300 0.082 0.000 1.186 279 V CB -2.422 29.528 31.823 0.210 0.000 1.373 279 V HN 2.949 nan 8.190 nan 0.000 1.100 280 G N -2.024 106.758 108.800 -0.029 0.000 2.182 280 G HA2 -0.308 3.652 3.960 0.001 0.000 0.248 280 G HA3 -0.308 3.652 3.960 0.001 0.000 0.248 280 G C -0.391 174.404 174.900 -0.175 0.000 1.042 280 G CA 0.351 45.394 45.100 -0.096 0.000 0.775 280 G HN 0.945 nan 8.290 nan 0.000 0.501 281 Y N 0.699 121.008 120.300 0.016 0.000 2.334 281 Y HA 0.460 5.010 4.550 0.000 0.000 0.328 281 Y C 1.187 177.082 175.900 -0.008 0.000 1.130 281 Y CA -0.656 57.446 58.100 0.003 0.000 1.163 281 Y CB 0.936 39.406 38.460 0.017 0.000 1.207 281 Y HN 0.461 nan 8.280 nan 0.000 0.471 282 Q N 3.998 123.891 119.800 0.154 0.000 2.368 282 Q HA -0.088 4.252 4.340 0.001 0.000 0.331 282 Q C -2.325 173.721 176.000 0.077 0.000 1.086 282 Q CA -0.626 55.223 55.803 0.076 0.000 1.031 282 Q CB 0.489 29.244 28.738 0.028 0.000 1.125 282 Q HN 0.431 nan 8.270 nan 0.000 0.389 283 P HA -0.064 nan 4.420 nan 0.000 0.230 283 P C 0.777 178.096 177.300 0.032 0.000 1.158 283 P CA 1.425 64.551 63.100 0.043 0.000 0.769 283 P CB 0.040 31.758 31.700 0.029 0.000 0.807 284 T N -4.277 110.292 114.554 0.026 0.000 3.105 284 T HA 0.149 4.500 4.350 0.001 0.000 0.253 284 T C 1.473 176.187 174.700 0.024 0.000 1.047 284 T CA -0.305 61.808 62.100 0.022 0.000 0.944 284 T CB -0.926 67.951 68.868 0.015 0.000 1.016 284 T HN 0.020 nan 8.240 nan 0.000 0.544 285 L N 1.149 122.381 121.223 0.015 0.000 2.051 285 L HA -0.135 4.206 4.340 0.001 0.000 0.214 285 L C 2.704 179.591 176.870 0.028 0.000 1.076 285 L CA 1.999 56.835 54.840 -0.007 0.000 0.758 285 L CB -0.715 41.302 42.059 -0.070 0.000 0.890 285 L HN 0.375 nan 8.230 nan 0.000 0.433 286 A N -0.199 122.642 122.820 0.035 0.000 1.845 286 A HA -0.236 4.084 4.320 0.001 0.000 0.215 286 A C 2.359 180.001 177.584 0.098 0.000 1.195 286 A CA 2.515 54.593 52.037 0.068 0.000 0.616 286 A CB -1.377 17.652 19.000 0.048 0.000 0.832 286 A HN 0.637 nan 8.150 nan 0.000 0.443 287 T N -2.396 112.202 114.554 0.073 0.000 2.915 287 T HA -0.090 4.260 4.350 0.001 0.000 0.269 287 T C 1.081 175.834 174.700 0.087 0.000 1.071 287 T CA 1.446 63.590 62.100 0.074 0.000 1.132 287 T CB -0.397 68.500 68.868 0.049 0.000 0.878 287 T HN 0.340 nan 8.240 nan 0.000 0.479 288 D N 0.351 120.815 120.400 0.105 0.000 2.269 288 D HA 0.105 4.745 4.640 0.001 0.000 0.208 288 D C 1.788 178.252 176.300 0.273 0.000 0.963 288 D CA 0.540 54.642 54.000 0.170 0.000 0.864 288 D CB -0.192 40.689 40.800 0.136 0.000 0.936 288 D HN 0.404 nan 8.370 nan 0.000 0.505 289 M N -0.232 119.496 119.600 0.212 0.000 2.357 289 M HA 0.063 4.543 4.480 0.001 0.000 0.266 289 M C 1.980 178.267 176.300 -0.022 0.000 1.095 289 M CA 0.964 56.363 55.300 0.164 0.000 1.156 289 M CB 0.161 32.882 32.600 0.202 0.000 1.365 289 M HN -0.004 nan 8.290 nan 0.000 0.447 290 G N 0.815 109.648 108.800 0.054 0.000 2.422 290 G HA2 -0.197 3.763 3.960 0.001 0.000 0.218 290 G HA3 -0.197 3.763 3.960 0.001 0.000 0.218 290 G C 1.384 176.254 174.900 -0.050 0.000 1.146 290 G CA 0.626 45.734 45.100 0.013 0.000 0.769 290 G HN 0.409 nan 8.290 nan 0.000 0.547 291 L N -0.511 120.706 121.223 -0.010 0.000 2.083 291 L HA -0.009 4.331 4.340 0.001 0.000 0.209 291 L C 2.634 179.457 176.870 -0.079 0.000 1.083 291 L CA 0.699 55.529 54.840 -0.017 0.000 0.752 291 L CB -0.267 41.809 42.059 0.029 0.000 0.899 291 L HN 0.295 nan 8.230 nan 0.000 0.433 292 L N -1.102 120.034 121.223 -0.145 0.000 2.145 292 L HA -0.086 4.254 4.340 0.001 0.000 0.201 292 L C 2.452 179.153 176.870 -0.283 0.000 1.075 292 L CA 1.403 56.089 54.840 -0.257 0.000 0.773 292 L CB -0.441 41.322 42.059 -0.493 0.000 0.936 292 L HN 0.053 nan 8.230 nan 0.000 0.451 293 Q N 0.182 119.772 119.800 -0.349 0.000 2.050 293 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 293 Q C 2.137 177.955 176.000 -0.303 0.000 0.980 293 Q CA 1.819 57.377 55.803 -0.408 0.000 0.840 293 Q CB -0.295 27.978 28.738 -0.776 0.000 0.898 293 Q HN 0.490 nan 8.270 nan 0.000 0.424 294 E N -0.218 119.825 120.200 -0.262 0.000 2.396 294 E HA -0.185 4.165 4.350 0.001 0.000 0.200 294 E C 1.749 178.303 176.600 -0.077 0.000 1.023 294 E CA 0.693 57.027 56.400 -0.110 0.000 0.857 294 E CB 0.018 29.695 29.700 -0.038 0.000 0.775 294 E HN 0.322 nan 8.360 nan 0.000 0.525 295 R N -0.127 120.310 120.500 -0.104 0.000 2.173 295 R HA 0.147 4.487 4.340 0.001 0.000 0.208 295 R C 0.936 177.186 176.300 -0.084 0.000 1.035 295 R CA 0.177 56.228 56.100 -0.080 0.000 1.004 295 R CB 0.238 30.486 30.300 -0.086 0.000 0.917 295 R HN 0.053 nan 8.270 nan 0.000 0.462 296 I N 1.703 122.205 120.570 -0.112 0.000 2.311 296 I HA 0.071 4.241 4.170 0.001 0.000 0.297 296 I C 0.038 176.108 176.117 -0.079 0.000 1.131 296 I CA 0.294 61.531 61.300 -0.105 0.000 1.289 296 I CB 0.773 38.690 38.000 -0.139 0.000 1.446 296 I HN -0.052 nan 8.210 nan 0.000 0.524 297 T N 3.123 117.643 114.554 -0.056 0.000 2.830 297 T HA 0.276 4.626 4.350 0.001 0.000 0.322 297 T C -0.531 174.151 174.700 -0.028 0.000 1.501 297 T CA -0.407 61.671 62.100 -0.037 0.000 1.036 297 T CB 1.679 70.532 68.868 -0.024 0.000 1.379 297 T HN 0.377 nan 8.240 nan 0.000 0.493 298 T N 3.124 117.665 114.554 -0.022 0.000 2.889 298 T HA 0.658 5.008 4.350 0.001 0.000 0.291 298 T C 0.239 174.926 174.700 -0.022 0.000 0.995 298 T CA -0.292 61.797 62.100 -0.018 0.000 1.092 298 T CB 0.954 69.814 68.868 -0.014 0.000 0.954 298 T HN 0.896 nan 8.240 nan 0.000 0.506 299 T N -0.451 114.089 114.554 -0.023 0.000 2.887 299 T HA 0.454 4.805 4.350 0.001 0.000 0.292 299 T C 0.722 175.402 174.700 -0.033 0.000 1.087 299 T CA -1.114 60.967 62.100 -0.031 0.000 1.009 299 T CB 1.403 70.253 68.868 -0.030 0.000 1.203 299 T HN 0.387 nan 8.240 nan 0.000 0.518 300 K N 0.039 120.414 120.400 -0.041 0.000 2.589 300 K HA 0.004 4.325 4.320 0.001 0.000 0.195 300 K C 1.365 177.946 176.600 -0.031 0.000 1.040 300 K CA 0.875 57.139 56.287 -0.039 0.000 0.950 300 K CB -0.069 32.403 32.500 -0.047 0.000 0.781 300 K HN 0.467 nan 8.250 nan 0.000 0.486 301 K N -0.685 119.698 120.400 -0.029 0.000 2.412 301 K HA 0.119 4.439 4.320 0.001 0.000 0.202 301 K C 0.180 176.770 176.600 -0.017 0.000 1.102 301 K CA -0.042 56.229 56.287 -0.027 0.000 1.027 301 K CB 1.671 34.149 32.500 -0.037 0.000 0.931 301 K HN 0.128 nan 8.250 nan 0.000 0.557 302 G N 0.679 109.472 108.800 -0.011 0.000 2.498 302 G HA2 0.079 4.039 3.960 0.001 0.000 0.301 302 G HA3 0.079 4.039 3.960 0.001 0.000 0.301 302 G C -1.431 173.473 174.900 0.006 0.000 1.577 302 G CA -0.664 44.439 45.100 0.005 0.000 0.868 302 G HN -0.074 nan 8.290 nan 0.000 0.599 303 S N -0.219 115.488 115.700 0.012 0.000 2.565 303 S HA 0.655 5.126 4.470 0.001 0.000 0.276 303 S C -0.067 174.542 174.600 0.016 0.000 1.326 303 S CA -0.349 57.857 58.200 0.010 0.000 1.045 303 S CB 1.161 64.369 63.200 0.014 0.000 0.918 303 S HN 1.158 nan 8.310 nan 0.000 0.505 304 V N 4.730 124.640 119.914 -0.006 0.000 2.482 304 V HA 0.393 4.513 4.120 0.001 0.000 0.295 304 V C -0.212 175.845 176.094 -0.062 0.000 1.026 304 V CA -0.782 61.500 62.300 -0.030 0.000 0.856 304 V CB 1.823 33.623 31.823 -0.038 0.000 1.001 304 V HN 1.039 nan 8.190 nan 0.000 0.424 305 T N 2.705 117.202 114.554 -0.095 0.000 2.837 305 T HA 0.636 4.987 4.350 0.001 0.000 0.285 305 T C 0.014 174.560 174.700 -0.256 0.000 0.984 305 T CA -0.608 61.405 62.100 -0.146 0.000 1.049 305 T CB 1.340 70.126 68.868 -0.137 0.000 0.947 305 T HN 0.797 nan 8.240 nan 0.000 0.472 306 S N 0.987 116.532 115.700 -0.257 0.000 2.571 306 S HA 0.647 5.118 4.470 0.001 0.000 0.284 306 S C -0.716 173.703 174.600 -0.302 0.000 1.128 306 S CA -0.892 57.116 58.200 -0.320 0.000 0.970 306 S CB 1.137 64.204 63.200 -0.222 0.000 1.039 306 S HN 0.508 nan 8.310 nan 0.000 0.485 307 V N 3.108 122.813 119.914 -0.348 0.000 2.427 307 V HA 0.501 4.621 4.120 0.001 0.000 0.286 307 V C -0.267 175.765 176.094 -0.104 0.000 1.034 307 V CA -0.545 61.655 62.300 -0.166 0.000 0.893 307 V CB 1.118 32.966 31.823 0.042 0.000 0.982 307 V HN 0.956 nan 8.190 nan 0.000 0.452 308 Q N 2.499 122.234 119.800 -0.110 0.000 2.337 308 Q HA 0.754 5.095 4.340 0.001 0.000 0.266 308 Q C -0.393 175.539 176.000 -0.114 0.000 1.023 308 Q CA -0.654 55.077 55.803 -0.120 0.000 0.829 308 Q CB 2.424 31.065 28.738 -0.161 0.000 1.306 308 Q HN 0.910 nan 8.270 nan 0.000 0.449 309 A N 2.162 124.936 122.820 -0.078 0.000 2.309 309 A HA 0.494 4.814 4.320 0.001 0.000 0.290 309 A C -0.388 177.112 177.584 -0.139 0.000 1.206 309 A CA -0.446 51.553 52.037 -0.065 0.000 0.850 309 A CB 0.343 19.360 19.000 0.029 0.000 1.118 309 A HN 0.492 nan 8.150 nan 0.000 0.523 310 V N 3.896 123.627 119.914 -0.305 0.000 2.370 310 V HA 0.204 4.324 4.120 0.001 0.000 0.283 310 V C -0.306 175.691 176.094 -0.162 0.000 1.023 310 V CA -0.539 61.531 62.300 -0.384 0.000 0.857 310 V CB 0.652 31.802 31.823 -1.122 0.000 0.985 310 V HN 0.795 nan 8.190 nan 0.000 0.443 311 Y N 5.034 125.253 120.300 -0.135 0.000 2.301 311 Y HA 0.531 5.081 4.550 0.001 0.000 0.328 311 Y C 0.022 175.706 175.900 -0.360 0.000 1.242 311 Y CA -0.472 57.497 58.100 -0.219 0.000 1.323 311 Y CB 1.477 39.801 38.460 -0.226 0.000 1.266 311 Y HN 0.378 nan 8.280 nan 0.000 0.527 312 V N 7.614 126.813 119.914 -1.193 0.000 2.327 312 V HA 0.284 4.405 4.120 0.001 0.000 0.272 312 V C -2.377 173.087 176.094 -1.049 0.000 1.019 312 V CA -2.087 59.729 62.300 -0.807 0.000 0.814 312 V CB 0.775 32.393 31.823 -0.342 0.000 1.040 312 V HN 0.728 nan 8.190 nan 0.000 0.440 313 P HA -0.012 nan 4.420 nan 0.000 0.263 313 P C 0.872 178.044 177.300 -0.213 0.000 1.168 313 P CA 1.265 64.124 63.100 -0.402 0.000 0.759 313 P CB 0.543 32.196 31.700 -0.079 0.000 0.782 314 A N 3.740 126.500 122.820 -0.100 0.000 2.790 314 A HA -0.294 4.027 4.320 0.001 0.000 0.277 314 A C 1.116 178.662 177.584 -0.063 0.000 1.435 314 A CA 1.522 53.537 52.037 -0.037 0.000 0.877 314 A CB -2.473 16.527 19.000 -0.000 0.000 1.007 314 A HN 0.630 nan 8.150 nan 0.000 0.613 315 D N -2.167 118.154 120.400 -0.132 0.000 2.978 315 D HA -0.178 4.462 4.640 0.001 0.000 0.205 315 D C -0.153 176.104 176.300 -0.072 0.000 1.093 315 D CA 2.094 56.032 54.000 -0.105 0.000 1.006 315 D CB -1.150 39.620 40.800 -0.050 0.000 1.116 315 D HN 0.959 nan 8.370 nan 0.000 0.419 316 D N 0.325 120.687 120.400 -0.064 0.000 2.352 316 D HA 0.153 4.793 4.640 0.001 0.000 0.245 316 D C 1.426 177.720 176.300 -0.010 0.000 1.224 316 D CA -0.145 53.841 54.000 -0.024 0.000 0.879 316 D CB 0.334 41.133 40.800 -0.000 0.000 1.057 316 D HN 0.176 nan 8.370 nan 0.000 0.491 317 L N 2.903 124.134 121.223 0.013 0.000 2.362 317 L HA -0.098 4.242 4.340 0.001 0.000 0.219 317 L C 2.253 179.179 176.870 0.094 0.000 1.134 317 L CA 1.348 56.231 54.840 0.071 0.000 0.807 317 L CB -0.141 41.954 42.059 0.060 0.000 0.927 317 L HN 0.536 nan 8.230 nan 0.000 0.447 318 T N -4.034 110.552 114.554 0.052 0.000 3.107 318 T HA -0.052 4.299 4.350 0.001 0.000 0.249 318 T C 0.790 175.532 174.700 0.070 0.000 1.096 318 T CA -0.484 61.648 62.100 0.054 0.000 1.012 318 T CB -0.295 68.587 68.868 0.023 0.000 0.977 318 T HN 0.214 nan 8.240 nan 0.000 0.527 319 D N 2.565 123.012 120.400 0.079 0.000 2.515 319 D HA -0.010 4.630 4.640 0.001 0.000 0.232 319 D C -1.610 174.742 176.300 0.086 0.000 1.157 319 D CA -1.040 53.030 54.000 0.117 0.000 0.871 319 D CB 1.502 42.382 40.800 0.133 0.000 1.200 319 D HN 0.104 nan 8.370 nan 0.000 0.466 320 P HA 0.012 nan 4.420 nan 0.000 0.229 320 P C 0.696 177.878 177.300 -0.197 0.000 1.160 320 P CA 0.861 63.905 63.100 -0.092 0.000 0.777 320 P CB 0.140 31.752 31.700 -0.147 0.000 0.814 321 A N 1.151 123.832 122.820 -0.231 0.000 1.825 321 A HA -0.076 4.245 4.320 0.001 0.000 0.214 321 A C -0.116 177.524 177.584 0.093 0.000 1.206 321 A CA 1.852 53.855 52.037 -0.056 0.000 0.609 321 A CB -2.127 17.019 19.000 0.244 0.000 0.851 321 A HN 0.177 nan 8.150 nan 0.000 0.445 322 P HA -0.061 nan 4.420 nan 0.000 0.216 322 P C 1.698 179.109 177.300 0.185 0.000 1.153 322 P CA 1.929 65.121 63.100 0.153 0.000 0.848 322 P CB -0.253 31.556 31.700 0.183 0.000 0.787 323 A N -0.312 122.634 122.820 0.210 0.000 1.954 323 A HA -0.281 4.039 4.320 0.001 0.000 0.222 323 A C 2.168 179.881 177.584 0.215 0.000 1.199 323 A CA 3.075 55.263 52.037 0.251 0.000 0.657 323 A CB -2.055 17.017 19.000 0.121 0.000 0.823 323 A HN 0.290 nan 8.150 nan 0.000 0.463 324 T N -1.261 113.365 114.554 0.119 0.000 2.978 324 T HA -0.044 4.306 4.350 0.001 0.000 0.262 324 T C 1.929 176.695 174.700 0.110 0.000 1.063 324 T CA 1.398 63.549 62.100 0.084 0.000 1.140 324 T CB -0.588 68.313 68.868 0.055 0.000 0.886 324 T HN 0.533 nan 8.240 nan 0.000 0.470 325 T N 2.377 117.016 114.554 0.141 0.000 2.544 325 T HA -0.161 4.189 4.350 0.001 0.000 0.264 325 T C 1.480 176.278 174.700 0.164 0.000 1.096 325 T CA 1.632 63.831 62.100 0.164 0.000 1.181 325 T CB -0.856 68.063 68.868 0.084 0.000 0.864 325 T HN 0.241 nan 8.240 nan 0.000 0.415 326 F N 1.845 121.927 119.950 0.219 0.000 2.068 326 F HA -0.321 4.206 4.527 0.000 0.000 0.289 326 F C 2.651 178.471 175.800 0.032 0.000 1.089 326 F CA 1.407 59.457 58.000 0.084 0.000 1.263 326 F CB -1.341 37.599 39.000 -0.100 0.000 0.955 326 F HN 0.223 nan 8.300 nan 0.000 0.501 327 A N -1.888 121.007 122.820 0.125 0.000 2.272 327 A HA -0.186 4.135 4.320 0.001 0.000 0.213 327 A C 1.469 178.972 177.584 -0.135 0.000 1.183 327 A CA 1.494 53.504 52.037 -0.046 0.000 0.719 327 A CB -0.948 17.963 19.000 -0.149 0.000 0.771 327 A HN 0.588 nan 8.150 nan 0.000 0.484 328 H N -1.410 117.722 119.070 0.103 0.000 2.652 328 H HA 0.382 4.938 4.556 0.001 0.000 0.274 328 H C 0.186 175.550 175.328 0.061 0.000 1.021 328 H CA 0.034 56.119 56.048 0.063 0.000 1.187 328 H CB 0.185 29.968 29.762 0.036 0.000 1.505 328 H HN 0.377 nan 8.280 nan 0.000 0.530 329 L N -0.172 121.167 121.223 0.194 0.000 2.304 329 L HA 0.285 4.625 4.340 0.001 0.000 0.268 329 L C 0.732 177.679 176.870 0.128 0.000 1.010 329 L CA -0.587 54.346 54.840 0.155 0.000 0.813 329 L CB 1.504 43.681 42.059 0.196 0.000 1.315 329 L HN -0.150 nan 8.230 nan 0.000 0.445 330 D N 0.001 120.463 120.400 0.104 0.000 2.454 330 D HA 0.276 4.916 4.640 0.001 0.000 0.219 330 D C -0.008 176.361 176.300 0.116 0.000 1.081 330 D CA 0.455 54.510 54.000 0.092 0.000 0.867 330 D CB 1.338 42.179 40.800 0.067 0.000 1.054 330 D HN 0.489 nan 8.370 nan 0.000 0.500 331 A N 0.642 123.547 122.820 0.142 0.000 2.459 331 A HA 0.581 4.901 4.320 0.001 0.000 0.296 331 A C -0.650 177.072 177.584 0.231 0.000 1.039 331 A CA -0.614 51.546 52.037 0.206 0.000 0.698 331 A CB 1.348 20.549 19.000 0.334 0.000 1.261 331 A HN -0.046 nan 8.150 nan 0.000 0.405 332 T N -0.271 114.429 114.554 0.243 0.000 2.840 332 T HA 0.708 5.058 4.350 0.001 0.000 0.287 332 T C -0.403 174.449 174.700 0.252 0.000 0.991 332 T CA -0.236 62.043 62.100 0.298 0.000 0.964 332 T CB 1.065 70.097 68.868 0.274 0.000 0.954 332 T HN 1.384 nan 8.240 nan 0.000 0.438 333 T N 0.132 114.864 114.554 0.297 0.000 2.864 333 T HA 0.594 4.945 4.350 0.001 0.000 0.299 333 T C -0.321 174.463 174.700 0.140 0.000 1.011 333 T CA -0.715 61.488 62.100 0.172 0.000 0.975 333 T CB 0.787 69.739 68.868 0.139 0.000 0.962 333 T HN 0.565 nan 8.240 nan 0.000 0.448 334 V N 4.960 124.936 119.914 0.102 0.000 2.509 334 V HA 0.449 4.570 4.120 0.001 0.000 0.284 334 V C 0.131 176.244 176.094 0.032 0.000 1.047 334 V CA -0.886 61.482 62.300 0.114 0.000 0.952 334 V CB 1.057 32.921 31.823 0.068 0.000 0.988 334 V HN 0.831 nan 8.190 nan 0.000 0.469 335 L N 3.818 125.063 121.223 0.037 0.000 2.265 335 L HA 0.479 4.819 4.340 0.001 0.000 0.289 335 L C 0.488 177.361 176.870 0.005 0.000 1.033 335 L CA -0.026 54.816 54.840 0.003 0.000 0.814 335 L CB 1.522 43.584 42.059 0.006 0.000 1.203 335 L HN 0.664 nan 8.230 nan 0.000 0.423 336 S N 2.760 118.450 115.700 -0.016 0.000 2.523 336 S HA 0.195 4.666 4.470 0.001 0.000 0.275 336 S C 1.195 175.775 174.600 -0.033 0.000 1.281 336 S CA -0.428 57.757 58.200 -0.025 0.000 1.050 336 S CB 0.946 64.126 63.200 -0.033 0.000 0.937 336 S HN 0.771 nan 8.310 nan 0.000 0.492 337 R N 3.953 124.441 120.500 -0.021 0.000 2.070 337 R HA -0.044 4.296 4.340 0.001 0.000 0.233 337 R C 2.273 178.556 176.300 -0.029 0.000 1.137 337 R CA 1.941 58.032 56.100 -0.015 0.000 0.945 337 R CB -1.266 29.033 30.300 -0.001 0.000 0.845 337 R HN 0.840 nan 8.270 nan 0.000 0.430 338 G N 1.364 110.147 108.800 -0.028 0.000 2.547 338 G HA2 -0.302 3.658 3.960 0.001 0.000 0.221 338 G HA3 -0.302 3.658 3.960 0.001 0.000 0.221 338 G C 1.493 176.365 174.900 -0.046 0.000 1.140 338 G CA 1.367 46.449 45.100 -0.030 0.000 0.760 338 G HN 0.361 nan 8.290 nan 0.000 0.583 339 I N 1.393 121.925 120.570 -0.063 0.000 2.315 339 I HA -0.186 3.984 4.170 0.001 0.000 0.248 339 I C 3.145 179.159 176.117 -0.172 0.000 1.117 339 I CA 1.475 62.723 61.300 -0.086 0.000 1.404 339 I CB -0.166 37.788 38.000 -0.076 0.000 1.071 339 I HN 0.392 nan 8.210 nan 0.000 0.419 340 S N 0.345 115.909 115.700 -0.227 0.000 2.402 340 S HA -0.169 4.302 4.470 0.001 0.000 0.229 340 S C 1.695 176.206 174.600 -0.150 0.000 1.021 340 S CA 0.986 58.946 58.200 -0.399 0.000 0.974 340 S CB -0.387 62.660 63.200 -0.255 0.000 0.800 340 S HN 0.486 nan 8.310 nan 0.000 0.484 341 E N 0.766 120.933 120.200 -0.055 0.000 2.418 341 E HA 0.108 4.459 4.350 0.001 0.000 0.197 341 E C 1.524 178.127 176.600 0.005 0.000 1.026 341 E CA 0.558 56.962 56.400 0.005 0.000 0.862 341 E CB -0.229 29.476 29.700 0.007 0.000 0.799 341 E HN 0.578 nan 8.360 nan 0.000 0.518 342 L N -0.572 120.637 121.223 -0.023 0.000 2.554 342 L HA 0.132 4.472 4.340 0.001 0.000 0.226 342 L C 1.463 178.346 176.870 0.023 0.000 1.137 342 L CA 0.392 55.230 54.840 -0.003 0.000 0.863 342 L CB -0.018 42.041 42.059 0.001 0.000 0.985 342 L HN 0.251 nan 8.230 nan 0.000 0.451 343 G N 0.629 109.450 108.800 0.033 0.000 2.148 343 G HA2 -0.239 3.721 3.960 0.001 0.000 0.254 343 G HA3 -0.239 3.721 3.960 0.001 0.000 0.254 343 G C 0.229 175.287 174.900 0.263 0.000 0.981 343 G CA -0.304 44.927 45.100 0.218 0.000 0.670 343 G HN 0.161 nan 8.290 nan 0.000 0.528 344 I N 0.671 121.234 120.570 -0.012 0.000 2.396 344 I HA 0.484 4.654 4.170 0.001 0.000 0.289 344 I C 0.023 175.949 176.117 -0.318 0.000 1.056 344 I CA -0.733 60.578 61.300 0.019 0.000 1.365 344 I CB -0.235 37.779 38.000 0.023 0.000 1.407 344 I HN 0.093 nan 8.210 nan 0.000 0.509 345 Y N 6.622 126.925 120.300 0.005 0.000 2.433 345 Y HA 0.383 4.934 4.550 0.000 0.000 0.337 345 Y C -2.231 173.515 175.900 -0.256 0.000 1.026 345 Y CA -2.312 55.737 58.100 -0.084 0.000 1.037 345 Y CB 2.275 40.677 38.460 -0.097 0.000 1.245 345 Y HN 0.423 nan 8.280 nan 0.000 0.443 346 P HA 0.107 nan 4.420 nan 0.000 0.271 346 P C -0.289 177.046 177.300 0.058 0.000 1.216 346 P CA -0.144 63.049 63.100 0.154 0.000 0.776 346 P CB 1.197 33.177 31.700 0.467 0.000 0.881 347 A N 3.784 126.600 122.820 -0.007 0.000 2.916 347 A HA 0.221 4.542 4.320 0.001 0.000 0.254 347 A C 0.658 178.212 177.584 -0.050 0.000 1.544 347 A CA -0.298 51.660 52.037 -0.133 0.000 1.224 347 A CB -1.217 17.629 19.000 -0.257 0.000 1.012 347 A HN 0.377 nan 8.150 nan 0.000 0.636 348 V N 0.298 120.205 119.914 -0.011 0.000 2.963 348 V HA 0.035 4.155 4.120 0.001 0.000 0.306 348 V C 0.494 176.581 176.094 -0.013 0.000 1.077 348 V CA -0.295 61.996 62.300 -0.015 0.000 1.124 348 V CB 0.952 32.783 31.823 0.012 0.000 0.987 348 V HN 0.552 nan 8.190 nan 0.000 0.487 349 D N 4.081 124.473 120.400 -0.014 0.000 2.428 349 D HA 0.303 4.943 4.640 0.001 0.000 0.221 349 D C -1.732 174.559 176.300 -0.015 0.000 1.123 349 D CA -2.104 51.887 54.000 -0.016 0.000 0.869 349 D CB 1.802 42.588 40.800 -0.024 0.000 1.032 349 D HN 0.224 nan 8.370 nan 0.000 0.506 350 P HA -0.040 nan 4.420 nan 0.000 0.223 350 P C 1.148 178.432 177.300 -0.026 0.000 1.144 350 P CA 0.745 63.837 63.100 -0.012 0.000 0.783 350 P CB 0.408 32.114 31.700 0.011 0.000 0.771 351 L N -2.076 119.130 121.223 -0.028 0.000 2.701 351 L HA 0.187 4.527 4.340 0.001 0.000 0.238 351 L C 1.399 178.233 176.870 -0.060 0.000 1.106 351 L CA 0.481 55.296 54.840 -0.041 0.000 0.898 351 L CB 0.147 42.185 42.059 -0.036 0.000 1.188 351 L HN -0.159 nan 8.230 nan 0.000 0.508 352 D N -0.976 119.387 120.400 -0.060 0.000 2.433 352 D HA 0.080 4.720 4.640 0.001 0.000 0.211 352 D C 0.337 176.588 176.300 -0.082 0.000 1.114 352 D CA 0.229 54.175 54.000 -0.090 0.000 0.837 352 D CB 0.647 41.392 40.800 -0.092 0.000 0.984 352 D HN -0.062 nan 8.370 nan 0.000 0.505 353 S N 0.171 115.845 115.700 -0.044 0.000 2.554 353 S HA 0.562 5.033 4.470 0.001 0.000 0.278 353 S C -0.032 174.561 174.600 -0.013 0.000 1.242 353 S CA -0.429 57.766 58.200 -0.007 0.000 1.051 353 S CB 2.187 65.395 63.200 0.013 0.000 0.986 353 S HN 0.024 nan 8.310 nan 0.000 0.502 354 K N 0.614 121.026 120.400 0.021 0.000 2.509 354 K HA 0.717 5.038 4.320 0.001 0.000 0.266 354 K C -1.221 175.421 176.600 0.069 0.000 0.987 354 K CA -0.575 55.721 56.287 0.015 0.000 0.868 354 K CB 2.105 34.592 32.500 -0.021 0.000 1.421 354 K HN 0.634 nan 8.250 nan 0.000 0.444 355 S N 0.006 115.738 115.700 0.054 0.000 2.543 355 S HA 0.313 4.784 4.470 0.001 0.000 0.274 355 S C -0.408 174.225 174.600 0.054 0.000 1.149 355 S CA -0.737 57.513 58.200 0.083 0.000 0.866 355 S CB 1.775 65.032 63.200 0.095 0.000 1.111 355 S HN 0.706 nan 8.310 nan 0.000 0.457 356 R N 1.669 122.207 120.500 0.064 0.000 2.193 356 R HA 0.302 4.642 4.340 0.001 0.000 0.213 356 R C 1.397 177.723 176.300 0.044 0.000 1.055 356 R CA 0.752 56.881 56.100 0.049 0.000 0.995 356 R CB -0.200 30.132 30.300 0.052 0.000 0.893 356 R HN 0.752 nan 8.270 nan 0.000 0.459 357 L N 0.404 121.656 121.223 0.048 0.000 2.341 357 L HA 0.000 4.341 4.340 0.001 0.000 0.214 357 L C 0.566 177.439 176.870 0.006 0.000 1.115 357 L CA 0.084 54.946 54.840 0.037 0.000 0.820 357 L CB 0.011 42.102 42.059 0.055 0.000 0.944 357 L HN 0.164 nan 8.230 nan 0.000 0.452 358 L N 1.832 123.047 121.223 -0.013 0.000 2.505 358 L HA 0.051 4.391 4.340 0.001 0.000 0.275 358 L C -0.511 176.399 176.870 0.066 0.000 1.264 358 L CA 0.568 55.374 54.840 -0.057 0.000 1.148 358 L CB -0.583 41.414 42.059 -0.104 0.000 1.377 358 L HN 0.039 nan 8.230 nan 0.000 0.442 359 D N 1.992 122.447 120.400 0.092 0.000 2.947 359 D HA 0.403 5.043 4.640 0.001 0.000 0.224 359 D C 0.719 177.056 176.300 0.061 0.000 1.230 359 D CA 0.050 54.127 54.000 0.128 0.000 0.871 359 D CB 1.981 42.807 40.800 0.045 0.000 1.671 359 D HN 0.241 nan 8.370 nan 0.000 0.507 360 A N 3.165 125.937 122.820 -0.080 0.000 1.948 360 A HA -0.028 4.292 4.320 0.001 0.000 0.220 360 A C 2.059 179.608 177.584 -0.058 0.000 1.177 360 A CA 2.295 54.260 52.037 -0.121 0.000 0.636 360 A CB -0.893 17.900 19.000 -0.344 0.000 0.815 360 A HN 0.748 nan 8.150 nan 0.000 0.449 361 A N -1.135 121.647 122.820 -0.063 0.000 2.070 361 A HA 0.115 4.435 4.320 0.001 0.000 0.220 361 A C 1.992 179.572 177.584 -0.006 0.000 1.159 361 A CA 1.925 53.942 52.037 -0.032 0.000 0.656 361 A CB -0.377 18.604 19.000 -0.032 0.000 0.800 361 A HN 0.454 nan 8.150 nan 0.000 0.453 362 V N -1.301 118.615 119.914 0.003 0.000 2.854 362 V HA -0.040 4.080 4.120 0.001 0.000 0.236 362 V C 2.334 178.446 176.094 0.030 0.000 1.157 362 V CA 1.171 63.481 62.300 0.018 0.000 1.187 362 V CB 0.048 31.882 31.823 0.019 0.000 0.949 362 V HN 0.466 nan 8.190 nan 0.000 0.488 363 V N -1.000 118.923 119.914 0.014 0.000 3.174 363 V HA 0.667 4.788 4.120 0.001 0.000 0.254 363 V C 0.911 177.063 176.094 0.096 0.000 1.120 363 V CA 0.693 63.015 62.300 0.037 0.000 1.114 363 V CB -0.452 31.226 31.823 -0.242 0.000 0.756 363 V HN 1.053 nan 8.190 nan 0.000 0.467 364 G N 0.191 109.030 108.800 0.066 0.000 2.712 364 G HA2 -0.186 3.775 3.960 0.001 0.000 0.686 364 G HA3 -0.186 3.775 3.960 0.001 0.000 0.686 364 G C -0.195 174.771 174.900 0.111 0.000 1.181 364 G CA 0.210 45.354 45.100 0.074 0.000 0.762 364 G HN 0.461 nan 8.290 nan 0.000 0.641 365 Q N -0.035 119.806 119.800 0.070 0.000 2.133 365 Q HA -0.149 4.191 4.340 0.001 0.000 0.208 365 Q C 2.373 178.474 176.000 0.168 0.000 0.991 365 Q CA 3.032 58.886 55.803 0.084 0.000 0.867 365 Q CB -0.149 28.610 28.738 0.036 0.000 0.911 365 Q HN 0.830 nan 8.270 nan 0.000 0.417 366 E N -1.488 118.802 120.200 0.149 0.000 2.028 366 E HA -0.227 4.123 4.350 0.001 0.000 0.190 366 E C 1.982 178.705 176.600 0.205 0.000 0.984 366 E CA 0.976 57.469 56.400 0.154 0.000 0.800 366 E CB -0.303 29.469 29.700 0.121 0.000 0.758 366 E HN 0.700 nan 8.360 nan 0.000 0.448 367 H N -1.283 117.840 119.070 0.088 0.000 2.387 367 H HA -0.204 4.352 4.556 0.001 0.000 0.299 367 H C 2.092 177.449 175.328 0.049 0.000 1.090 367 H CA 1.395 57.476 56.048 0.056 0.000 1.332 367 H CB -0.059 29.732 29.762 0.048 0.000 1.386 367 H HN 0.291 nan 8.280 nan 0.000 0.516 368 Y N 1.636 121.947 120.300 0.018 0.000 2.128 368 Y HA -0.264 4.287 4.550 0.001 0.000 0.284 368 Y C 1.998 177.901 175.900 0.005 0.000 1.154 368 Y CA 2.174 60.241 58.100 -0.054 0.000 1.149 368 Y CB -0.175 38.257 38.460 -0.047 0.000 0.976 368 Y HN 0.323 nan 8.280 nan 0.000 0.505 369 D N -0.991 119.518 120.400 0.182 0.000 2.183 369 D HA -0.118 4.523 4.640 0.001 0.000 0.205 369 D C 2.385 178.715 176.300 0.050 0.000 0.962 369 D CA 1.258 55.331 54.000 0.121 0.000 0.849 369 D CB -0.309 40.593 40.800 0.170 0.000 0.978 369 D HN 0.291 nan 8.370 nan 0.000 0.488 370 V N 1.779 121.743 119.914 0.083 0.000 2.469 370 V HA -0.262 3.858 4.120 0.001 0.000 0.251 370 V C 2.498 178.607 176.094 0.025 0.000 1.064 370 V CA 1.789 64.138 62.300 0.083 0.000 1.066 370 V CB -0.720 31.173 31.823 0.117 0.000 0.667 370 V HN 0.156 nan 8.190 nan 0.000 0.461 371 A N 0.090 122.894 122.820 -0.027 0.000 1.835 371 A HA -0.205 4.115 4.320 0.001 0.000 0.215 371 A C 2.495 179.995 177.584 -0.140 0.000 1.199 371 A CA 2.286 54.253 52.037 -0.116 0.000 0.615 371 A CB -0.987 17.896 19.000 -0.196 0.000 0.838 371 A HN 0.523 nan 8.150 nan 0.000 0.444 372 S N -0.045 115.528 115.700 -0.211 0.000 2.368 372 S HA -0.257 4.213 4.470 0.001 0.000 0.226 372 S C 2.000 176.564 174.600 -0.059 0.000 1.044 372 S CA 1.903 60.008 58.200 -0.159 0.000 1.062 372 S CB -0.391 62.717 63.200 -0.153 0.000 0.931 372 S HN 0.588 nan 8.310 nan 0.000 0.440 373 K N 0.640 121.027 120.400 -0.021 0.000 2.063 373 K HA -0.066 4.254 4.320 0.001 0.000 0.208 373 K C 2.067 178.683 176.600 0.028 0.000 1.048 373 K CA 1.130 57.427 56.287 0.016 0.000 0.928 373 K CB -0.352 32.172 32.500 0.040 0.000 0.713 373 K HN 0.148 nan 8.250 nan 0.000 0.442 374 V N 1.271 121.205 119.914 0.033 0.000 2.287 374 V HA -0.321 3.799 4.120 0.001 0.000 0.248 374 V C 2.264 178.375 176.094 0.028 0.000 1.053 374 V CA 1.869 64.203 62.300 0.056 0.000 1.027 374 V CB -0.404 31.447 31.823 0.046 0.000 0.646 374 V HN 0.425 nan 8.190 nan 0.000 0.447 375 Q N -0.643 119.150 119.800 -0.012 0.000 2.050 375 Q HA -0.234 4.106 4.340 0.001 0.000 0.202 375 Q C 2.290 178.292 176.000 0.002 0.000 0.980 375 Q CA 1.926 57.719 55.803 -0.015 0.000 0.840 375 Q CB -0.181 28.528 28.738 -0.049 0.000 0.898 375 Q HN 0.710 nan 8.270 nan 0.000 0.424 376 E N -0.260 119.941 120.200 0.001 0.000 2.070 376 E HA -0.207 4.144 4.350 0.001 0.000 0.197 376 E C 2.041 178.657 176.600 0.028 0.000 1.004 376 E CA 1.693 58.100 56.400 0.012 0.000 0.805 376 E CB -0.149 29.558 29.700 0.012 0.000 0.744 376 E HN 0.320 nan 8.360 nan 0.000 0.451 377 T N 1.742 116.316 114.554 0.034 0.000 2.622 377 T HA -0.169 4.182 4.350 0.001 0.000 0.266 377 T C 2.013 176.756 174.700 0.071 0.000 1.047 377 T CA 1.146 63.271 62.100 0.042 0.000 1.159 377 T CB -0.381 68.509 68.868 0.036 0.000 0.863 377 T HN 0.079 nan 8.240 nan 0.000 0.422 378 L N 0.842 122.111 121.223 0.077 0.000 2.079 378 L HA -0.165 4.175 4.340 0.001 0.000 0.210 378 L C 2.877 179.810 176.870 0.104 0.000 1.081 378 L CA 1.262 56.172 54.840 0.117 0.000 0.752 378 L CB -0.539 41.574 42.059 0.090 0.000 0.896 378 L HN 0.238 nan 8.230 nan 0.000 0.433 379 Q N -0.214 119.618 119.800 0.053 0.000 2.167 379 Q HA -0.146 4.195 4.340 0.001 0.000 0.202 379 Q C 2.009 178.030 176.000 0.034 0.000 0.970 379 Q CA 2.194 58.012 55.803 0.025 0.000 0.855 379 Q CB -0.267 28.475 28.738 0.005 0.000 0.911 379 Q HN 0.391 nan 8.270 nan 0.000 0.438 380 T N -0.040 114.550 114.554 0.059 0.000 2.701 380 T HA -0.155 4.196 4.350 0.001 0.000 0.263 380 T C 1.213 175.983 174.700 0.117 0.000 1.040 380 T CA 1.270 63.410 62.100 0.067 0.000 1.147 380 T CB -0.755 68.150 68.868 0.061 0.000 0.865 380 T HN 0.369 nan 8.240 nan 0.000 0.426 381 Y N 2.418 122.713 120.300 -0.007 0.000 2.132 381 Y HA -0.254 4.296 4.550 -0.000 0.000 0.280 381 Y C 2.398 178.293 175.900 -0.009 0.000 1.193 381 Y CA 1.543 59.638 58.100 -0.008 0.000 1.157 381 Y CB -0.504 37.951 38.460 -0.007 0.000 0.966 381 Y HN 0.114 nan 8.280 nan 0.000 0.511 382 K N -0.763 119.594 120.400 -0.071 0.000 2.026 382 K HA -0.141 4.180 4.320 0.001 0.000 0.208 382 K C 2.337 178.867 176.600 -0.117 0.000 1.048 382 K CA 1.543 57.727 56.287 -0.173 0.000 0.929 382 K CB -0.264 32.180 32.500 -0.093 0.000 0.713 382 K HN 0.245 nan 8.250 nan 0.000 0.439 383 S N 1.024 116.695 115.700 -0.048 0.000 2.400 383 S HA -0.102 4.369 4.470 0.001 0.000 0.232 383 S C 1.614 176.193 174.600 -0.034 0.000 1.025 383 S CA 1.142 59.322 58.200 -0.033 0.000 0.993 383 S CB -0.136 63.058 63.200 -0.009 0.000 0.808 383 S HN 0.284 nan 8.310 nan 0.000 0.478 384 L N 1.209 122.418 121.223 -0.023 0.000 2.558 384 L HA 0.072 4.412 4.340 0.001 0.000 0.225 384 L C 2.168 179.011 176.870 -0.044 0.000 1.128 384 L CA 0.135 54.971 54.840 -0.006 0.000 0.868 384 L CB -0.383 41.709 42.059 0.054 0.000 1.006 384 L HN 0.155 nan 8.230 nan 0.000 0.454 385 Q N 0.455 120.179 119.800 -0.126 0.000 2.290 385 Q HA -0.258 4.083 4.340 0.001 0.000 0.211 385 Q C 1.323 177.275 176.000 -0.080 0.000 0.991 385 Q CA 1.620 57.326 55.803 -0.162 0.000 0.893 385 Q CB -0.234 28.374 28.738 -0.217 0.000 0.913 385 Q HN 0.541 nan 8.270 nan 0.000 0.428 386 D N -0.173 120.193 120.400 -0.056 0.000 2.110 386 D HA 0.012 4.652 4.640 0.001 0.000 0.202 386 D C 2.122 178.411 176.300 -0.018 0.000 0.975 386 D CA 0.467 54.447 54.000 -0.035 0.000 0.839 386 D CB -0.164 40.617 40.800 -0.031 0.000 0.996 386 D HN 0.210 nan 8.370 nan 0.000 0.464 387 I N 1.534 122.098 120.570 -0.011 0.000 2.163 387 I HA -0.241 3.929 4.170 0.001 0.000 0.243 387 I C 2.137 178.258 176.117 0.007 0.000 1.085 387 I CA 0.703 62.003 61.300 0.000 0.000 1.347 387 I CB -0.278 37.726 38.000 0.006 0.000 1.044 387 I HN 0.023 nan 8.210 nan 0.000 0.408 388 I N 1.250 121.829 120.570 0.014 0.000 2.361 388 I HA -0.238 3.932 4.170 0.001 0.000 0.251 388 I C 2.811 178.937 176.117 0.015 0.000 1.133 388 I CA 1.602 62.918 61.300 0.027 0.000 1.413 388 I CB -2.009 36.028 38.000 0.061 0.000 1.073 388 I HN 0.185 nan 8.210 nan 0.000 0.424 389 A N 1.156 123.975 122.820 -0.001 0.000 1.930 389 A HA -0.103 4.217 4.320 0.001 0.000 0.217 389 A C 2.263 179.846 177.584 -0.002 0.000 1.175 389 A CA 1.378 53.412 52.037 -0.006 0.000 0.627 389 A CB -0.280 18.708 19.000 -0.019 0.000 0.815 389 A HN 0.298 nan 8.150 nan 0.000 0.443 390 I N -1.368 119.201 120.570 -0.002 0.000 2.685 390 I HA 0.092 4.263 4.170 0.001 0.000 0.251 390 I C 2.218 178.336 176.117 0.003 0.000 1.102 390 I CA 0.784 62.084 61.300 -0.001 0.000 1.442 390 I CB -1.199 36.800 38.000 -0.003 0.000 1.194 390 I HN 0.208 nan 8.210 nan 0.000 0.448 391 L N 0.047 121.273 121.223 0.005 0.000 2.375 391 L HA 0.257 4.597 4.340 0.001 0.000 0.215 391 L C 1.241 178.118 176.870 0.010 0.000 1.108 391 L CA 0.561 55.405 54.840 0.007 0.000 0.830 391 L CB -0.298 41.765 42.059 0.007 0.000 0.959 391 L HN 0.465 nan 8.230 nan 0.000 0.457 392 G N -0.480 108.328 108.800 0.014 0.000 2.698 392 G HA2 -0.303 3.658 3.960 0.001 0.000 0.233 392 G HA3 -0.303 3.658 3.960 0.001 0.000 0.233 392 G C 0.438 175.352 174.900 0.024 0.000 1.352 392 G CA -0.024 45.088 45.100 0.020 0.000 0.879 392 G HN -0.085 nan 8.290 nan 0.000 0.567 393 M N -0.239 119.376 119.600 0.025 0.000 2.200 393 M HA -0.013 4.467 4.480 0.001 0.000 0.265 393 M C 1.964 178.274 176.300 0.017 0.000 1.066 393 M CA 1.886 57.200 55.300 0.025 0.000 1.127 393 M CB -1.069 31.544 32.600 0.021 0.000 1.379 393 M HN 0.569 nan 8.290 nan 0.000 0.420 394 D N 0.708 121.116 120.400 0.013 0.000 2.311 394 D HA -0.131 4.509 4.640 0.001 0.000 0.212 394 D C 1.618 177.923 176.300 0.009 0.000 0.972 394 D CA 0.905 54.910 54.000 0.009 0.000 0.887 394 D CB 0.035 40.839 40.800 0.007 0.000 0.915 394 D HN 0.339 nan 8.370 nan 0.000 0.497 395 E N -0.254 119.953 120.200 0.011 0.000 2.452 395 E HA 0.102 4.452 4.350 0.001 0.000 0.197 395 E C 0.874 177.481 176.600 0.011 0.000 1.022 395 E CA -0.140 56.266 56.400 0.010 0.000 0.890 395 E CB 0.478 30.183 29.700 0.009 0.000 0.918 395 E HN 0.328 nan 8.360 nan 0.000 0.496 396 L N 1.741 122.973 121.223 0.014 0.000 2.452 396 L HA 0.034 4.375 4.340 0.001 0.000 0.267 396 L C 1.384 178.261 176.870 0.011 0.000 1.188 396 L CA -0.278 54.571 54.840 0.016 0.000 0.821 396 L CB 0.482 42.554 42.059 0.021 0.000 1.102 396 L HN 0.010 nan 8.230 nan 0.000 0.470 397 S N 0.911 116.618 115.700 0.011 0.000 2.562 397 S HA 0.104 4.574 4.470 0.001 0.000 0.256 397 S C 0.831 175.435 174.600 0.006 0.000 1.248 397 S CA -0.394 57.811 58.200 0.008 0.000 0.988 397 S CB 0.544 63.748 63.200 0.007 0.000 1.035 397 S HN 0.613 nan 8.310 nan 0.000 0.548 398 E N 0.465 120.668 120.200 0.004 0.000 2.057 398 E HA -0.001 4.350 4.350 0.001 0.000 0.190 398 E C 2.416 179.017 176.600 0.001 0.000 0.969 398 E CA 0.912 57.313 56.400 0.002 0.000 0.812 398 E CB -0.821 28.880 29.700 0.001 0.000 0.777 398 E HN 0.690 nan 8.360 nan 0.000 0.455 399 Q N 0.867 120.669 119.800 0.003 0.000 2.096 399 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 399 Q C 1.793 177.795 176.000 0.004 0.000 0.982 399 Q CA 1.388 57.193 55.803 0.003 0.000 0.850 399 Q CB -0.053 28.688 28.738 0.006 0.000 0.901 399 Q HN 0.236 nan 8.270 nan 0.000 0.422 400 D N 0.740 121.145 120.400 0.009 0.000 2.092 400 D HA -0.171 4.470 4.640 0.001 0.000 0.193 400 D C 1.730 178.035 176.300 0.009 0.000 0.994 400 D CA 1.190 55.199 54.000 0.015 0.000 0.828 400 D CB -0.099 40.714 40.800 0.021 0.000 0.963 400 D HN 0.135 nan 8.370 nan 0.000 0.450 401 K N 0.206 120.608 120.400 0.004 0.000 2.044 401 K HA -0.183 4.137 4.320 0.001 0.000 0.210 401 K C 2.228 178.815 176.600 -0.022 0.000 1.049 401 K CA 0.783 57.068 56.287 -0.004 0.000 0.927 401 K CB -0.291 32.207 32.500 -0.002 0.000 0.713 401 K HN -0.027 nan 8.250 nan 0.000 0.443 402 L N 0.829 122.040 121.223 -0.020 0.000 1.970 402 L HA -0.219 4.122 4.340 0.001 0.000 0.212 402 L C 2.034 178.875 176.870 -0.050 0.000 1.071 402 L CA 2.135 56.957 54.840 -0.031 0.000 0.751 402 L CB -0.917 41.131 42.059 -0.019 0.000 0.889 402 L HN 0.229 nan 8.230 nan 0.000 0.432 403 T N -0.946 113.587 114.554 -0.034 0.000 2.649 403 T HA -0.256 4.094 4.350 0.001 0.000 0.268 403 T C 1.895 176.540 174.700 -0.092 0.000 1.036 403 T CA 1.946 64.023 62.100 -0.039 0.000 1.157 403 T CB -0.661 68.206 68.868 -0.002 0.000 0.861 403 T HN 0.246 nan 8.240 nan 0.000 0.445 404 V N 1.239 121.093 119.914 -0.100 0.000 2.261 404 V HA -0.180 3.941 4.120 0.001 0.000 0.246 404 V C 2.470 178.377 176.094 -0.311 0.000 1.047 404 V CA 1.864 64.022 62.300 -0.236 0.000 1.015 404 V CB -0.685 31.073 31.823 -0.109 0.000 0.642 404 V HN 0.500 nan 8.190 nan 0.000 0.446 405 E N -0.356 119.735 120.200 -0.182 0.000 2.160 405 E HA -0.241 4.109 4.350 0.001 0.000 0.195 405 E C 2.389 178.865 176.600 -0.206 0.000 0.991 405 E CA 1.284 57.583 56.400 -0.168 0.000 0.810 405 E CB -0.173 29.469 29.700 -0.096 0.000 0.742 405 E HN 0.435 nan 8.360 nan 0.000 0.466 406 R N 0.215 120.603 120.500 -0.187 0.000 2.062 406 R HA -0.034 4.306 4.340 0.001 0.000 0.229 406 R C 2.235 178.400 176.300 -0.224 0.000 1.128 406 R CA 1.150 57.132 56.100 -0.197 0.000 0.960 406 R CB -0.157 30.073 30.300 -0.117 0.000 0.855 406 R HN 0.162 nan 8.270 nan 0.000 0.432 407 A N 1.176 123.868 122.820 -0.213 0.000 1.877 407 A HA -0.181 4.139 4.320 0.001 0.000 0.216 407 A C 2.118 179.548 177.584 -0.256 0.000 1.186 407 A CA 1.530 53.451 52.037 -0.194 0.000 0.620 407 A CB -0.494 18.387 19.000 -0.199 0.000 0.822 407 A HN 0.345 nan 8.150 nan 0.000 0.443 408 R N -0.286 119.964 120.500 -0.417 0.000 2.159 408 R HA -0.139 4.202 4.340 0.001 0.000 0.237 408 R C 2.118 178.300 176.300 -0.197 0.000 1.131 408 R CA 1.683 57.604 56.100 -0.298 0.000 0.982 408 R CB -0.242 29.873 30.300 -0.307 0.000 0.868 408 R HN 0.549 nan 8.270 nan 0.000 0.453 409 K N 0.467 120.674 120.400 -0.322 0.000 2.021 409 K HA -0.013 4.307 4.320 0.001 0.000 0.205 409 K C 2.042 178.386 176.600 -0.426 0.000 1.047 409 K CA 1.032 56.964 56.287 -0.592 0.000 0.943 409 K CB -0.095 31.724 32.500 -1.136 0.000 0.725 409 K HN 0.050 nan 8.250 nan 0.000 0.439 410 I N 1.572 121.980 120.570 -0.269 0.000 2.248 410 I HA -0.361 3.810 4.170 0.001 0.000 0.248 410 I C 2.676 178.885 176.117 0.154 0.000 1.107 410 I CA 1.411 62.713 61.300 0.003 0.000 1.373 410 I CB -0.170 37.898 38.000 0.114 0.000 1.055 410 I HN 0.294 nan 8.210 nan 0.000 0.418 411 Q N 0.263 120.109 119.800 0.077 0.000 2.016 411 Q HA -0.201 4.139 4.340 0.001 0.000 0.200 411 Q C 2.412 178.510 176.000 0.163 0.000 0.978 411 Q CA 1.495 57.373 55.803 0.125 0.000 0.833 411 Q CB 0.010 28.811 28.738 0.105 0.000 0.895 411 Q HN 0.393 nan 8.270 nan 0.000 0.427 412 R N -0.690 119.909 120.500 0.165 0.000 2.115 412 R HA -0.121 4.219 4.340 0.001 0.000 0.230 412 R C 1.967 178.454 176.300 0.312 0.000 1.111 412 R CA 0.973 57.238 56.100 0.275 0.000 0.976 412 R CB -0.151 30.334 30.300 0.308 0.000 0.870 412 R HN 0.201 nan 8.270 nan 0.000 0.445 413 F N 0.853 120.854 119.950 0.085 0.000 2.325 413 F HA -0.011 4.516 4.527 0.001 0.000 0.299 413 F C 1.588 177.468 175.800 0.134 0.000 1.090 413 F CA 0.898 58.928 58.000 0.050 0.000 1.392 413 F CB -0.060 38.846 39.000 -0.157 0.000 1.053 413 F HN -0.060 nan 8.300 nan 0.000 0.521 414 L N -0.150 121.197 121.223 0.206 0.000 2.275 414 L HA -0.095 4.245 4.340 0.001 0.000 0.215 414 L C 1.327 178.205 176.870 0.013 0.000 1.119 414 L CA 0.648 55.573 54.840 0.142 0.000 0.790 414 L CB -0.828 41.330 42.059 0.165 0.000 0.919 414 L HN 0.159 nan 8.230 nan 0.000 0.443 415 S N -0.008 115.698 115.700 0.011 0.000 2.562 415 S HA 0.171 4.641 4.470 0.001 0.000 0.281 415 S C -0.306 174.190 174.600 -0.173 0.000 1.333 415 S CA -0.425 57.731 58.200 -0.074 0.000 1.052 415 S CB 1.515 64.682 63.200 -0.055 0.000 0.884 415 S HN 0.317 nan 8.310 nan 0.000 0.506 416 Q N 2.220 121.867 119.800 -0.255 0.000 2.289 416 Q HA 0.433 4.774 4.340 0.001 0.000 0.270 416 Q C -2.976 172.819 176.000 -0.343 0.000 1.038 416 Q CA -2.399 53.248 55.803 -0.260 0.000 0.812 416 Q CB 2.249 30.881 28.738 -0.178 0.000 1.300 416 Q HN 0.517 nan 8.270 nan 0.000 0.427 417 P HA 0.108 nan 4.420 nan 0.000 0.271 417 P C -1.107 176.240 177.300 0.078 0.000 1.220 417 P CA 0.113 63.151 63.100 -0.104 0.000 0.768 417 P CB 0.239 31.911 31.700 -0.048 0.000 0.848 418 F N 1.574 121.513 119.950 -0.018 0.000 2.421 418 F HA 0.395 4.923 4.527 0.001 0.000 0.337 418 F C 1.626 177.416 175.800 -0.016 0.000 1.105 418 F CA -1.520 56.463 58.000 -0.029 0.000 1.049 418 F CB 0.875 39.855 39.000 -0.032 0.000 1.139 418 F HN 0.375 nan 8.300 nan 0.000 0.479 419 A N 3.021 125.931 122.820 0.151 0.000 1.908 419 A HA -0.112 4.208 4.320 0.001 0.000 0.218 419 A C 2.174 179.794 177.584 0.061 0.000 1.181 419 A CA 1.951 54.027 52.037 0.065 0.000 0.627 419 A CB -0.862 18.144 19.000 0.010 0.000 0.818 419 A HN 0.563 nan 8.150 nan 0.000 0.445 420 V N -0.674 119.267 119.914 0.044 0.000 2.626 420 V HA -0.098 4.022 4.120 0.001 0.000 0.252 420 V C 2.406 178.586 176.094 0.144 0.000 1.067 420 V CA 1.731 64.059 62.300 0.046 0.000 1.081 420 V CB -0.363 31.444 31.823 -0.026 0.000 0.686 420 V HN 0.596 nan 8.190 nan 0.000 0.468 421 A N -1.377 121.569 122.820 0.210 0.000 2.415 421 A HA 0.126 4.446 4.320 0.001 0.000 0.248 421 A C 1.827 179.594 177.584 0.306 0.000 1.299 421 A CA 0.375 52.602 52.037 0.317 0.000 0.899 421 A CB -0.314 18.816 19.000 0.216 0.000 0.997 421 A HN 0.572 nan 8.150 nan 0.000 0.506 422 E N 0.164 120.461 120.200 0.162 0.000 2.118 422 E HA -0.164 4.186 4.350 0.001 0.000 0.195 422 E C 1.197 177.801 176.600 0.006 0.000 0.992 422 E CA 1.728 58.173 56.400 0.075 0.000 0.804 422 E CB -0.130 29.590 29.700 0.033 0.000 0.741 422 E HN 0.530 nan 8.360 nan 0.000 0.458 423 V N -0.769 119.092 119.914 -0.089 0.000 3.458 423 V HA 0.021 4.141 4.120 0.001 0.000 0.318 423 V C 0.439 176.076 176.094 -0.762 0.000 1.182 423 V CA 0.677 62.747 62.300 -0.383 0.000 1.303 423 V CB -1.146 30.392 31.823 -0.475 0.000 1.073 423 V HN 0.196 nan 8.190 nan 0.000 0.418 424 F N -0.547 119.383 119.950 -0.033 0.000 2.743 424 F HA 0.090 4.617 4.527 0.000 0.000 0.356 424 F C 2.153 177.920 175.800 -0.054 0.000 0.845 424 F CA 0.746 58.711 58.000 -0.058 0.000 1.058 424 F CB -0.132 38.798 39.000 -0.117 0.000 0.952 424 F HN 0.183 nan 8.300 nan 0.000 0.620 425 T N -2.795 111.835 114.554 0.125 0.000 2.904 425 T HA 0.490 4.841 4.350 0.001 0.000 0.243 425 T C 2.019 176.751 174.700 0.054 0.000 1.024 425 T CA 1.120 63.267 62.100 0.077 0.000 1.158 425 T CB -0.203 68.691 68.868 0.043 0.000 0.867 425 T HN 0.460 nan 8.240 nan 0.000 0.429 426 G N 1.919 110.736 108.800 0.028 0.000 2.349 426 G HA2 -0.170 3.791 3.960 0.001 0.000 0.213 426 G HA3 -0.170 3.791 3.960 0.001 0.000 0.213 426 G C 0.109 175.017 174.900 0.014 0.000 1.044 426 G CA -0.208 44.898 45.100 0.011 0.000 0.633 426 G HN 0.703 nan 8.290 nan 0.000 0.506 427 I N 3.517 124.100 120.570 0.022 0.000 2.533 427 I HA 0.327 4.497 4.170 0.001 0.000 0.284 427 I C -1.925 174.201 176.117 0.014 0.000 1.109 427 I CA -1.797 59.512 61.300 0.014 0.000 1.412 427 I CB 0.654 38.657 38.000 0.005 0.000 1.396 427 I HN -0.062 nan 8.210 nan 0.000 0.543 428 P HA 0.005 nan 4.420 nan 0.000 0.262 428 P C 0.344 177.657 177.300 0.021 0.000 1.182 428 P CA 0.066 63.175 63.100 0.014 0.000 0.761 428 P CB 0.424 32.128 31.700 0.007 0.000 0.795 429 G N 3.253 112.076 108.800 0.039 0.000 2.594 429 G HA2 0.252 4.213 3.960 0.001 0.000 0.243 429 G HA3 0.252 4.213 3.960 0.001 0.000 0.243 429 G C -0.435 174.496 174.900 0.052 0.000 1.229 429 G CA -0.386 44.753 45.100 0.066 0.000 0.843 429 G HN 0.312 nan 8.290 nan 0.000 0.578 430 K N 0.110 120.551 120.400 0.068 0.000 2.328 430 K HA 0.464 4.784 4.320 0.001 0.000 0.246 430 K C -1.263 175.376 176.600 0.066 0.000 0.955 430 K CA -0.779 55.535 56.287 0.046 0.000 0.817 430 K CB 2.858 35.370 32.500 0.020 0.000 1.208 430 K HN 0.359 nan 8.250 nan 0.000 0.432 431 L N 2.364 123.608 121.223 0.035 0.000 2.342 431 L HA 0.357 4.698 4.340 0.001 0.000 0.276 431 L C -0.975 175.905 176.870 0.017 0.000 0.997 431 L CA -0.815 54.041 54.840 0.027 0.000 0.838 431 L CB 1.489 43.550 42.059 0.004 0.000 1.224 431 L HN 0.261 nan 8.230 nan 0.000 0.416 432 V N 4.510 124.433 119.914 0.015 0.000 2.863 432 V HA 0.522 4.643 4.120 0.001 0.000 0.307 432 V C 0.371 176.466 176.094 0.003 0.000 1.061 432 V CA -0.698 61.606 62.300 0.007 0.000 1.024 432 V CB 1.674 33.494 31.823 -0.005 0.000 1.049 432 V HN 0.753 nan 8.190 nan 0.000 0.471 433 R N 0.954 121.457 120.500 0.004 0.000 2.607 433 R HA 0.438 4.778 4.340 0.001 0.000 0.261 433 R C 0.971 177.261 176.300 -0.017 0.000 1.051 433 R CA -0.813 55.286 56.100 -0.002 0.000 1.110 433 R CB 0.885 31.188 30.300 0.005 0.000 1.158 433 R HN 0.603 nan 8.270 nan 0.000 0.543 434 L N 1.763 122.969 121.223 -0.028 0.000 1.994 434 L HA -0.184 4.156 4.340 0.001 0.000 0.208 434 L C 1.990 178.806 176.870 -0.090 0.000 1.071 434 L CA 1.917 56.714 54.840 -0.072 0.000 0.745 434 L CB -0.150 41.879 42.059 -0.049 0.000 0.892 434 L HN 0.525 nan 8.230 nan 0.000 0.431 435 K N -0.733 119.643 120.400 -0.040 0.000 2.147 435 K HA -0.197 4.123 4.320 0.001 0.000 0.205 435 K C 1.797 178.399 176.600 0.002 0.000 1.049 435 K CA 1.337 57.612 56.287 -0.021 0.000 0.936 435 K CB -0.222 32.281 32.500 0.005 0.000 0.722 435 K HN 0.399 nan 8.250 nan 0.000 0.446 436 D N 0.142 120.548 120.400 0.011 0.000 2.097 436 D HA -0.094 4.547 4.640 0.001 0.000 0.197 436 D C 1.663 178.008 176.300 0.076 0.000 0.984 436 D CA 1.268 55.293 54.000 0.041 0.000 0.826 436 D CB 0.018 40.839 40.800 0.033 0.000 0.973 436 D HN 0.056 nan 8.370 nan 0.000 0.460 437 T N 0.048 114.632 114.554 0.052 0.000 2.708 437 T HA -0.097 4.253 4.350 0.001 0.000 0.266 437 T C 2.191 177.002 174.700 0.186 0.000 1.037 437 T CA 1.072 63.241 62.100 0.116 0.000 1.146 437 T CB -0.403 68.458 68.868 -0.012 0.000 0.865 437 T HN -0.042 nan 8.240 nan 0.000 0.435 438 V N 1.731 121.653 119.914 0.014 0.000 2.261 438 V HA -0.188 3.932 4.120 0.001 0.000 0.246 438 V C 2.896 179.070 176.094 0.133 0.000 1.047 438 V CA 1.785 64.091 62.300 0.010 0.000 1.015 438 V CB -1.309 30.438 31.823 -0.126 0.000 0.642 438 V HN 0.543 nan 8.190 nan 0.000 0.446 439 A N -0.013 122.872 122.820 0.107 0.000 1.859 439 A HA -0.275 4.046 4.320 0.001 0.000 0.217 439 A C 2.473 180.156 177.584 0.165 0.000 1.198 439 A CA 2.652 54.761 52.037 0.121 0.000 0.629 439 A CB -1.126 17.929 19.000 0.092 0.000 0.830 439 A HN 0.528 nan 8.150 nan 0.000 0.446 440 S N -0.587 115.225 115.700 0.187 0.000 2.390 440 S HA -0.254 4.216 4.470 0.001 0.000 0.234 440 S C 1.647 176.351 174.600 0.174 0.000 1.063 440 S CA 2.038 60.348 58.200 0.182 0.000 1.108 440 S CB -0.706 62.696 63.200 0.336 0.000 0.975 440 S HN 0.506 nan 8.310 nan 0.000 0.442 441 F N 1.526 121.595 119.950 0.198 0.000 2.186 441 F HA 0.011 4.538 4.527 0.001 0.000 0.299 441 F C 2.374 178.237 175.800 0.106 0.000 1.090 441 F CA 1.175 59.281 58.000 0.176 0.000 1.307 441 F CB -0.309 38.779 39.000 0.147 0.000 1.019 441 F HN 0.096 nan 8.300 nan 0.000 0.489 442 K N 0.417 120.979 120.400 0.270 0.000 2.063 442 K HA -0.208 4.113 4.320 0.001 0.000 0.208 442 K C 2.249 178.939 176.600 0.150 0.000 1.048 442 K CA 1.313 57.707 56.287 0.179 0.000 0.928 442 K CB -0.308 32.280 32.500 0.146 0.000 0.713 442 K HN 0.207 nan 8.250 nan 0.000 0.442 443 A N 0.473 123.390 122.820 0.161 0.000 1.902 443 A HA -0.120 4.200 4.320 0.001 0.000 0.217 443 A C 2.220 179.941 177.584 0.229 0.000 1.181 443 A CA 1.744 53.907 52.037 0.210 0.000 0.623 443 A CB -0.637 18.560 19.000 0.328 0.000 0.818 443 A HN 0.179 nan 8.150 nan 0.000 0.443 444 V N -0.118 119.880 119.914 0.141 0.000 2.407 444 V HA -0.205 3.915 4.120 0.001 0.000 0.248 444 V C 2.390 178.520 176.094 0.060 0.000 1.055 444 V CA 1.719 64.065 62.300 0.077 0.000 1.049 444 V CB -0.662 31.073 31.823 -0.147 0.000 0.662 444 V HN 0.553 nan 8.190 nan 0.000 0.455 445 L N -0.432 120.841 121.223 0.082 0.000 2.478 445 L HA -0.019 4.321 4.340 0.001 0.000 0.223 445 L C 1.914 178.823 176.870 0.064 0.000 1.140 445 L CA 0.927 55.811 54.840 0.074 0.000 0.842 445 L CB -0.199 41.922 42.059 0.104 0.000 0.953 445 L HN 0.401 nan 8.230 nan 0.000 0.452 446 E N -0.435 119.810 120.200 0.075 0.000 2.444 446 E HA 0.113 4.464 4.350 0.001 0.000 0.191 446 E C 1.214 177.839 176.600 0.042 0.000 1.041 446 E CA 0.352 56.785 56.400 0.055 0.000 0.883 446 E CB 0.397 30.133 29.700 0.059 0.000 1.024 446 E HN 0.398 nan 8.360 nan 0.000 0.470 447 G N 2.280 111.110 108.800 0.051 0.000 2.187 447 G HA2 -0.380 3.580 3.960 0.001 0.000 0.261 447 G HA3 -0.380 3.580 3.960 0.001 0.000 0.261 447 G C 0.741 175.656 174.900 0.026 0.000 1.000 447 G CA 0.624 45.747 45.100 0.038 0.000 0.718 447 G HN 0.285 nan 8.290 nan 0.000 0.519 448 K N -1.121 119.300 120.400 0.035 0.000 2.589 448 K HA 0.182 4.503 4.320 0.001 0.000 0.192 448 K C 0.796 177.133 176.600 -0.437 0.000 1.029 448 K CA 0.759 56.951 56.287 -0.159 0.000 1.031 448 K CB 0.002 32.405 32.500 -0.163 0.000 0.821 448 K HN 0.655 nan 8.250 nan 0.000 0.502 449 Y N -1.381 118.927 120.300 0.014 0.000 2.729 449 Y HA 0.051 4.601 4.550 0.000 0.000 0.266 449 Y C 0.818 176.768 175.900 0.083 0.000 1.064 449 Y CA -0.626 57.502 58.100 0.046 0.000 1.251 449 Y CB 0.639 39.155 38.460 0.094 0.000 1.379 449 Y HN -0.021 nan 8.280 nan 0.000 0.569 450 D N 1.177 121.660 120.400 0.138 0.000 2.244 450 D HA -0.219 4.421 4.640 0.001 0.000 0.197 450 D C 1.223 177.573 176.300 0.084 0.000 1.006 450 D CA 1.728 55.777 54.000 0.081 0.000 0.888 450 D CB -0.346 40.469 40.800 0.025 0.000 0.912 450 D HN 0.538 nan 8.370 nan 0.000 0.452 451 N N 0.631 119.369 118.700 0.064 0.000 2.471 451 N HA -0.054 4.686 4.740 0.001 0.000 0.205 451 N C 0.030 175.581 175.510 0.068 0.000 1.251 451 N CA 0.133 53.210 53.050 0.045 0.000 0.843 451 N CB 0.038 38.529 38.487 0.007 0.000 1.044 451 N HN 0.247 nan 8.380 nan 0.000 0.461 452 I N 0.778 121.427 120.570 0.132 0.000 2.465 452 I HA 0.319 4.490 4.170 0.001 0.000 0.291 452 I C -2.416 173.805 176.117 0.173 0.000 1.014 452 I CA -2.593 58.778 61.300 0.119 0.000 1.093 452 I CB 2.158 40.200 38.000 0.070 0.000 1.267 452 I HN -0.274 nan 8.210 nan 0.000 0.431 453 P HA 0.040 nan 4.420 nan 0.000 0.263 453 P C 0.494 177.933 177.300 0.232 0.000 1.195 453 P CA 0.097 63.279 63.100 0.137 0.000 0.762 453 P CB 0.494 32.257 31.700 0.105 0.000 0.799 454 E N 1.543 121.888 120.200 0.242 0.000 2.236 454 E HA -0.344 4.006 4.350 0.001 0.000 0.205 454 E C 1.573 178.389 176.600 0.359 0.000 1.028 454 E CA 1.311 57.885 56.400 0.289 0.000 0.827 454 E CB -0.281 29.496 29.700 0.128 0.000 0.735 454 E HN 0.668 nan 8.360 nan 0.000 0.470 455 H N -0.343 118.826 119.070 0.166 0.000 2.421 455 H HA -0.045 4.512 4.556 0.001 0.000 0.298 455 H C 2.002 177.430 175.328 0.165 0.000 1.087 455 H CA 1.040 57.176 56.048 0.147 0.000 1.330 455 H CB 0.189 29.998 29.762 0.078 0.000 1.388 455 H HN 0.190 nan 8.280 nan 0.000 0.526 456 A N 0.662 123.477 122.820 -0.008 0.000 1.940 456 A HA -0.167 4.154 4.320 0.001 0.000 0.219 456 A C 2.011 179.430 177.584 -0.276 0.000 1.176 456 A CA 1.255 53.155 52.037 -0.228 0.000 0.631 456 A CB -1.139 17.655 19.000 -0.343 0.000 0.814 456 A HN 0.410 nan 8.150 nan 0.000 0.446 457 F N -2.100 117.806 119.950 -0.074 0.000 2.546 457 F HA 0.017 4.545 4.527 0.000 0.000 0.298 457 F C 0.949 176.816 175.800 0.111 0.000 1.120 457 F CA 0.370 58.351 58.000 -0.030 0.000 1.456 457 F CB -0.457 38.500 39.000 -0.071 0.000 1.088 457 F HN 0.332 nan 8.300 nan 0.000 0.572 458 Y N 1.238 121.581 120.300 0.072 0.000 2.393 458 Y HA 0.341 4.892 4.550 0.002 0.000 0.338 458 Y C 0.555 176.445 175.900 -0.015 0.000 1.029 458 Y CA -1.861 56.261 58.100 0.037 0.000 1.239 458 Y CB 0.310 38.775 38.460 0.009 0.000 1.170 458 Y HN 0.123 nan 8.280 nan 0.000 0.515 459 M N 5.502 124.730 119.600 -0.621 0.000 2.981 459 M HA -0.136 4.344 4.480 0.001 0.000 0.176 459 M C -1.787 174.353 176.300 -0.265 0.000 1.201 459 M CA 1.277 56.208 55.300 -0.616 0.000 0.743 459 M CB -1.311 30.669 32.600 -1.033 0.000 1.223 459 M HN 0.653 nan 8.290 nan 0.000 0.747 460 V N -1.016 118.814 119.914 -0.141 0.000 3.226 460 V HA 1.073 5.194 4.120 0.001 0.000 0.304 460 V C 0.668 176.746 176.094 -0.026 0.000 1.336 460 V CA -0.325 61.939 62.300 -0.060 0.000 1.066 460 V CB 1.285 33.087 31.823 -0.035 0.000 1.087 460 V HN 0.607 nan 8.190 nan 0.000 0.451 461 G N 0.124 108.925 108.800 0.001 0.000 2.948 461 G HA2 0.537 4.497 3.960 0.001 0.000 0.174 461 G HA3 0.537 4.497 3.960 0.001 0.000 0.174 461 G C 0.571 175.498 174.900 0.044 0.000 1.839 461 G CA 0.121 45.222 45.100 0.002 0.000 0.908 461 G HN 1.536 nan 8.290 nan 0.000 0.419 462 G N -1.170 107.678 108.800 0.080 0.000 2.525 462 G HA2 0.365 4.326 3.960 0.001 0.000 0.287 462 G HA3 0.365 4.326 3.960 0.001 0.000 0.287 462 G C 0.823 175.851 174.900 0.213 0.000 1.350 462 G CA -0.115 45.085 45.100 0.168 0.000 1.039 462 G HN 0.392 nan 8.290 nan 0.000 0.513 463 I N -0.736 119.932 120.570 0.163 0.000 2.423 463 I HA -0.094 4.076 4.170 0.001 0.000 0.254 463 I C 2.399 178.427 176.117 -0.148 0.000 1.151 463 I CA 1.414 62.640 61.300 -0.124 0.000 1.421 463 I CB -0.047 37.831 38.000 -0.203 0.000 1.079 463 I HN 0.483 nan 8.210 nan 0.000 0.431 464 E N 0.716 120.893 120.200 -0.038 0.000 2.110 464 E HA -0.204 4.147 4.350 0.001 0.000 0.193 464 E C 1.817 178.386 176.600 -0.051 0.000 0.988 464 E CA 1.403 57.786 56.400 -0.028 0.000 0.804 464 E CB -0.365 29.336 29.700 0.001 0.000 0.745 464 E HN 0.554 nan 8.360 nan 0.000 0.458 465 D N -0.634 119.739 120.400 -0.045 0.000 2.269 465 D HA -0.071 4.570 4.640 0.001 0.000 0.208 465 D C 1.803 178.032 176.300 -0.118 0.000 0.963 465 D CA 0.558 54.526 54.000 -0.052 0.000 0.864 465 D CB 0.258 41.049 40.800 -0.015 0.000 0.936 465 D HN 0.094 nan 8.370 nan 0.000 0.505 466 V N 1.155 120.943 119.914 -0.209 0.000 2.323 466 V HA -0.181 3.940 4.120 0.001 0.000 0.244 466 V C 2.738 178.653 176.094 -0.298 0.000 1.041 466 V CA 0.997 63.061 62.300 -0.393 0.000 1.025 466 V CB -0.590 30.775 31.823 -0.764 0.000 0.656 466 V HN 0.048 nan 8.190 nan 0.000 0.451 467 V N 0.618 120.416 119.914 -0.194 0.000 2.626 467 V HA -0.157 3.964 4.120 0.001 0.000 0.252 467 V C 2.629 178.681 176.094 -0.070 0.000 1.067 467 V CA 1.597 63.846 62.300 -0.086 0.000 1.081 467 V CB -1.493 30.330 31.823 -0.000 0.000 0.686 467 V HN 0.486 nan 8.190 nan 0.000 0.468 468 A N 1.001 123.777 122.820 -0.073 0.000 1.825 468 A HA -0.241 4.080 4.320 0.001 0.000 0.214 468 A C 2.349 179.902 177.584 -0.053 0.000 1.206 468 A CA 2.146 54.153 52.037 -0.050 0.000 0.609 468 A CB -0.629 18.347 19.000 -0.041 0.000 0.851 468 A HN 0.500 nan 8.150 nan 0.000 0.445 469 K N -0.250 120.106 120.400 -0.073 0.000 2.160 469 K HA -0.132 4.189 4.320 0.001 0.000 0.206 469 K C 1.924 178.493 176.600 -0.053 0.000 1.047 469 K CA 1.452 57.701 56.287 -0.063 0.000 0.930 469 K CB -0.311 32.132 32.500 -0.096 0.000 0.720 469 K HN 0.380 nan 8.250 nan 0.000 0.450 470 A N 0.904 123.673 122.820 -0.084 0.000 1.968 470 A HA -0.104 4.217 4.320 0.001 0.000 0.217 470 A C 1.731 179.298 177.584 -0.027 0.000 1.169 470 A CA 1.291 53.292 52.037 -0.061 0.000 0.638 470 A CB -0.259 18.682 19.000 -0.099 0.000 0.812 470 A HN 0.470 nan 8.150 nan 0.000 0.446 471 E N -0.182 120.001 120.200 -0.028 0.000 2.107 471 E HA -0.125 4.226 4.350 0.001 0.000 0.191 471 E C 1.959 178.556 176.600 -0.006 0.000 0.982 471 E CA 0.934 57.325 56.400 -0.015 0.000 0.809 471 E CB -0.090 29.601 29.700 -0.016 0.000 0.756 471 E HN 0.524 nan 8.360 nan 0.000 0.459 472 K N 0.631 121.027 120.400 -0.006 0.000 2.026 472 K HA -0.117 4.204 4.320 0.001 0.000 0.208 472 K C 2.159 178.769 176.600 0.016 0.000 1.048 472 K CA 1.015 57.305 56.287 0.005 0.000 0.929 472 K CB -0.051 32.453 32.500 0.006 0.000 0.713 472 K HN 0.114 nan 8.250 nan 0.000 0.439 473 L N 0.045 121.282 121.223 0.024 0.000 2.109 473 L HA -0.050 4.291 4.340 0.001 0.000 0.207 473 L C 1.953 178.838 176.870 0.026 0.000 1.086 473 L CA 0.499 55.363 54.840 0.039 0.000 0.760 473 L CB -0.352 41.751 42.059 0.073 0.000 0.910 473 L HN 0.114 nan 8.230 nan 0.000 0.437 474 A N -0.366 122.463 122.820 0.016 0.000 2.223 474 A HA 0.405 4.725 4.320 0.001 0.000 0.222 474 A C 1.039 178.627 177.584 0.007 0.000 1.317 474 A CA 1.018 53.061 52.037 0.010 0.000 0.985 474 A CB -0.624 18.379 19.000 0.005 0.000 0.858 474 A HN 0.444 nan 8.150 nan 0.000 0.496 475 A N -1.862 120.964 122.820 0.010 0.000 2.588 475 A HA 0.883 5.203 4.320 0.001 0.000 0.172 475 A C 0.128 177.719 177.584 0.011 0.000 1.149 475 A CA 0.957 52.999 52.037 0.008 0.000 1.987 475 A CB -0.098 18.905 19.000 0.006 0.000 2.500 475 A HN 1.525 nan 8.150 nan 0.000 0.982 476 E N 0.000 120.207 120.200 0.011 0.000 2.725 476 E HA 0.000 4.350 4.350 0.001 0.000 0.291 476 E CA 0.000 nan 56.400 nan 0.000 0.976 476 E CB 0.000 nan 29.700 nan 0.000 0.812 476 E HN 0.000 nan 8.360 nan 0.000 0.440