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 3gno_1_A DATA FIRST_RESID 11 DATA SEQUENCE GLTRGSFPEG FVFGTASAAY QYEGAVKEDG RGQTIWDTFA HTFGKITDFS DATA SEQUENCE NADVAVDQYH RFEEDIQLMA DMGMDAYRFS IAWSRIYPNG VGQVNQAGID DATA SEQUENCE HYNKLIDALL AKGIQPYVTL YHWDLPQALE DKYKGWLDRQ IVDDFAAYAE DATA SEQUENCE TCFREFGDRV KHWITLNEPH TVAIQGYDAG LQAPGRcSVL LHLYcKAGNS DATA SEQUENCE GTEPYVVAHH FILAHAAAAS IYRTKYKATQ NGQLGIAFDV MWFEPMSNTT DATA SEQUENCE IDIEAAKRAQ EFQLGWFADP FFFGDYPATM RARVGERLPR FTADEAAVVK DATA SEQUENCE GALDFVGINH YTTYYTRHNN TNIIGTLLNN TLADTGTVSL PFKNGKPIGD DATA SEQUENCE RANSIWLYIV PRGMRSLMNY VKERYNSPPV YITENGMDDS NNPFISIKDA DATA SEQUENCE LKDSKRIKYH NDYLTNLAAS IKEDGCDVRG YFAWSLLDNW EWAAGYSSRF DATA SEQUENCE GLYFVDYKDN LKRYPKNSVQ WFKALLKT 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 4.007 3.960 0.078 0.000 0.244 11 G C 0.000 174.875 174.900 -0.042 0.000 0.946 11 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 12 L N 1.240 122.445 121.223 -0.031 0.000 2.490 12 L HA 0.474 4.861 4.340 0.078 0.000 0.274 12 L C 1.290 178.095 176.870 -0.109 0.000 1.201 12 L CA 0.279 55.092 54.840 -0.045 0.000 0.869 12 L CB 0.796 42.873 42.059 0.030 0.000 1.123 12 L HN 0.892 nan 8.230 nan 0.000 0.484 13 T N -1.028 113.490 114.554 -0.060 0.000 2.716 13 T HA 0.369 4.766 4.350 0.078 0.000 0.286 13 T C 0.869 175.593 174.700 0.040 0.000 1.052 13 T CA -0.929 61.126 62.100 -0.075 0.000 1.024 13 T CB 1.406 70.234 68.868 -0.066 0.000 1.349 13 T HN 0.469 nan 8.240 nan 0.000 0.525 14 R N -0.324 120.190 120.500 0.025 0.000 2.148 14 R HA 0.049 4.436 4.340 0.078 0.000 0.227 14 R C 2.422 178.835 176.300 0.189 0.000 1.103 14 R CA 1.298 57.495 56.100 0.162 0.000 0.983 14 R CB -0.818 29.546 30.300 0.106 0.000 0.874 14 R HN 0.854 nan 8.270 nan 0.000 0.451 15 G N -0.331 108.515 108.800 0.077 0.000 2.559 15 G HA2 -0.174 3.833 3.960 0.078 0.000 0.216 15 G HA3 -0.174 3.833 3.960 0.078 0.000 0.216 15 G C 1.187 176.076 174.900 -0.019 0.000 1.126 15 G CA 0.372 45.492 45.100 0.034 0.000 0.778 15 G HN 0.208 nan 8.290 nan 0.000 0.543 16 S N -0.171 115.503 115.700 -0.044 0.000 2.481 16 S HA 0.229 4.746 4.470 0.078 0.000 0.231 16 S C 0.238 174.480 174.600 -0.596 0.000 0.996 16 S CA 0.252 58.274 58.200 -0.298 0.000 0.942 16 S CB -0.054 62.917 63.200 -0.381 0.000 0.768 16 S HN 0.270 nan 8.310 nan 0.000 0.520 17 F N 0.903 120.766 119.950 -0.145 0.000 2.575 17 F HA 0.498 5.067 4.527 0.071 0.000 0.330 17 F C -2.450 173.283 175.800 -0.112 0.000 1.056 17 F CA -2.817 55.016 58.000 -0.279 0.000 0.964 17 F CB 0.103 38.743 39.000 -0.600 0.000 1.258 17 F HN -0.242 nan 8.300 nan 0.000 0.484 18 P HA 0.022 nan 4.420 nan 0.000 0.267 18 P C -0.880 176.529 177.300 0.182 0.000 1.200 18 P CA -0.099 63.080 63.100 0.131 0.000 0.772 18 P CB 0.360 32.161 31.700 0.168 0.000 0.855 19 E N 0.998 121.274 120.200 0.127 0.000 2.502 19 E HA 0.182 4.579 4.350 0.078 0.000 0.261 19 E C 1.237 177.921 176.600 0.140 0.000 0.974 19 E CA 1.057 57.532 56.400 0.124 0.000 0.936 19 E CB -0.272 29.478 29.700 0.084 0.000 0.926 19 E HN 0.785 nan 8.360 nan 0.000 0.459 20 G N 3.167 112.053 108.800 0.143 0.000 2.179 20 G HA2 -0.331 3.676 3.960 0.078 0.000 0.260 20 G HA3 -0.331 3.676 3.960 0.078 0.000 0.260 20 G C 0.044 175.014 174.900 0.117 0.000 0.977 20 G CA -0.088 45.083 45.100 0.119 0.000 0.641 20 G HN 0.542 nan 8.290 nan 0.000 0.533 21 F N 1.709 121.659 119.950 -0.000 0.000 2.578 21 F HA 0.449 5.022 4.527 0.077 0.000 0.376 21 F C 0.771 176.442 175.800 -0.216 0.000 1.085 21 F CA -0.015 57.910 58.000 -0.125 0.000 1.260 21 F CB 0.856 39.780 39.000 -0.127 0.000 1.095 21 F HN 0.039 nan 8.300 nan 0.000 0.573 22 V N 7.761 127.227 119.914 -0.747 0.000 2.406 22 V HA 0.196 4.363 4.120 0.078 0.000 0.272 22 V C -0.330 175.254 176.094 -0.851 0.000 1.043 22 V CA -0.427 61.535 62.300 -0.563 0.000 0.915 22 V CB 0.570 32.135 31.823 -0.430 0.000 0.988 22 V HN 0.512 nan 8.190 nan 0.000 0.466 23 F N 2.960 122.696 119.950 -0.356 0.000 2.443 23 F HA 0.826 5.397 4.527 0.073 0.000 0.335 23 F C 0.786 176.278 175.800 -0.514 0.000 1.104 23 F CA -0.090 57.706 58.000 -0.340 0.000 1.013 23 F CB 2.120 41.063 39.000 -0.094 0.000 1.136 23 F HN 0.632 nan 8.300 nan 0.000 0.470 24 G N 0.398 108.865 108.800 -0.555 0.000 2.788 24 G HA2 0.644 4.651 3.960 0.078 0.000 0.293 24 G HA3 0.644 4.651 3.960 0.078 0.000 0.293 24 G C -1.360 173.437 174.900 -0.171 0.000 1.392 24 G CA -0.773 44.032 45.100 -0.493 0.000 0.810 24 G HN 0.625 nan 8.290 nan 0.000 0.508 25 T N -2.732 111.888 114.554 0.111 0.000 2.916 25 T HA 0.831 5.228 4.350 0.078 0.000 0.292 25 T C -0.253 174.604 174.700 0.263 0.000 1.055 25 T CA -0.153 62.040 62.100 0.154 0.000 1.009 25 T CB 1.908 70.842 68.868 0.109 0.000 1.118 25 T HN 1.682 nan 8.240 nan 0.000 0.497 26 A N 1.212 124.087 122.820 0.093 0.000 2.380 26 A HA 0.944 5.311 4.320 0.078 0.000 0.315 26 A C 0.087 177.435 177.584 -0.393 0.000 1.101 26 A CA -0.592 51.409 52.037 -0.059 0.000 0.771 26 A CB 1.385 20.514 19.000 0.214 0.000 1.287 26 A HN 1.696 nan 8.150 nan 0.000 0.436 27 S N -0.363 115.035 115.700 -0.503 0.000 2.685 27 S HA 0.931 5.448 4.470 0.078 0.000 0.282 27 S C -0.598 173.808 174.600 -0.324 0.000 1.159 27 S CA -0.135 57.563 58.200 -0.837 0.000 0.833 27 S CB 1.557 63.892 63.200 -1.441 0.000 1.151 27 S HN 2.376 nan 8.310 nan 0.000 0.485 28 A N -0.133 122.516 122.820 -0.286 0.000 2.515 28 A HA 0.905 5.272 4.320 0.078 0.000 0.298 28 A C 0.786 178.320 177.584 -0.083 0.000 1.059 28 A CA -0.441 51.409 52.037 -0.312 0.000 0.698 28 A CB 0.875 19.378 19.000 -0.829 0.000 1.289 28 A HN 1.787 nan 8.150 nan 0.000 0.404 29 A N 0.638 123.475 122.820 0.028 0.000 1.865 29 A HA -0.112 4.255 4.320 0.078 0.000 0.217 29 A C 1.825 179.520 177.584 0.185 0.000 1.191 29 A CA 2.353 54.505 52.037 0.191 0.000 0.623 29 A CB -1.011 18.169 19.000 0.300 0.000 0.826 29 A HN 1.359 nan 8.150 nan 0.000 0.444 30 Y N 0.752 121.070 120.300 0.031 0.000 2.293 30 Y HA -0.157 4.440 4.550 0.077 0.000 0.291 30 Y C 2.496 178.303 175.900 -0.154 0.000 1.137 30 Y CA 1.968 60.050 58.100 -0.031 0.000 1.202 30 Y CB -0.264 38.211 38.460 0.026 0.000 0.990 30 Y HN 0.487 nan 8.280 nan 0.000 0.537 31 Q N -2.296 117.383 119.800 -0.202 0.000 2.311 31 Q HA -0.148 4.239 4.340 0.078 0.000 0.203 31 Q C 1.050 177.056 176.000 0.010 0.000 0.954 31 Q CA 1.233 56.931 55.803 -0.175 0.000 0.885 31 Q CB -0.002 28.628 28.738 -0.180 0.000 0.963 31 Q HN 0.534 nan 8.270 nan 0.000 0.471 32 Y N -0.103 120.139 120.300 -0.096 0.000 2.609 32 Y HA 0.107 4.703 4.550 0.076 0.000 0.281 32 Y C 1.863 177.763 175.900 -0.000 0.000 1.132 32 Y CA 0.121 58.213 58.100 -0.012 0.000 1.264 32 Y CB 0.612 39.092 38.460 0.033 0.000 1.325 32 Y HN -0.013 nan 8.280 nan 0.000 0.514 33 E N 0.006 120.301 120.200 0.159 0.000 2.047 33 E HA 0.082 4.479 4.350 0.078 0.000 0.191 33 E C 1.457 178.081 176.600 0.040 0.000 0.987 33 E CA 0.845 57.328 56.400 0.139 0.000 0.799 33 E CB -0.342 29.446 29.700 0.146 0.000 0.752 33 E HN 0.446 nan 8.360 nan 0.000 0.449 34 G N 0.695 109.449 108.800 -0.076 0.000 2.575 34 G HA2 -0.282 3.725 3.960 0.078 0.000 0.267 34 G HA3 -0.282 3.725 3.960 0.078 0.000 0.267 34 G C 0.434 175.242 174.900 -0.152 0.000 1.264 34 G CA 0.351 45.388 45.100 -0.105 0.000 0.935 34 G HN 1.025 nan 8.290 nan 0.000 0.568 35 A N -2.582 120.165 122.820 -0.122 0.000 2.745 35 A HA 0.089 4.456 4.320 0.078 0.000 0.296 35 A C 2.341 179.766 177.584 -0.266 0.000 1.500 35 A CA 2.611 54.505 52.037 -0.238 0.000 0.766 35 A CB -2.167 16.430 19.000 -0.672 0.000 1.030 35 A HN 2.621 nan 8.150 nan 0.000 0.489 36 V N -3.328 116.509 119.914 -0.127 0.000 2.759 36 V HA -0.019 4.148 4.120 0.078 0.000 0.256 36 V C 1.384 177.448 176.094 -0.050 0.000 1.080 36 V CA 2.263 64.529 62.300 -0.057 0.000 1.101 36 V CB -0.494 31.347 31.823 0.030 0.000 0.698 36 V HN 0.582 nan 8.190 nan 0.000 0.477 37 K N 0.358 120.718 120.400 -0.066 0.000 2.537 37 K HA 0.364 4.731 4.320 0.078 0.000 0.206 37 K C 0.263 176.826 176.600 -0.061 0.000 1.041 37 K CA -0.080 56.179 56.287 -0.046 0.000 1.090 37 K CB 0.586 33.070 32.500 -0.027 0.000 0.833 37 K HN 0.639 nan 8.250 nan 0.000 0.493 38 E N 1.252 121.375 120.200 -0.128 0.000 2.214 38 E HA 0.050 4.447 4.350 0.078 0.000 0.274 38 E C -0.705 175.826 176.600 -0.115 0.000 0.977 38 E CA -0.361 55.966 56.400 -0.121 0.000 0.827 38 E CB 0.700 30.291 29.700 -0.181 0.000 1.130 38 E HN 0.102 nan 8.360 nan 0.000 0.394 39 D N 2.793 123.184 120.400 -0.016 0.000 2.751 39 D HA -0.213 4.474 4.640 0.078 0.000 0.233 39 D C 0.581 176.897 176.300 0.027 0.000 1.149 39 D CA 1.473 55.494 54.000 0.034 0.000 0.682 39 D CB -1.321 39.539 40.800 0.101 0.000 1.068 39 D HN 0.895 nan 8.370 nan 0.000 0.429 40 G N 0.094 108.902 108.800 0.013 0.000 2.176 40 G HA2 -0.393 3.614 3.960 0.078 0.000 0.253 40 G HA3 -0.393 3.614 3.960 0.078 0.000 0.253 40 G C 0.384 175.302 174.900 0.031 0.000 0.979 40 G CA 0.439 45.555 45.100 0.027 0.000 0.641 40 G HN 0.634 nan 8.290 nan 0.000 0.530 41 R N 1.033 121.539 120.500 0.011 0.000 2.538 41 R HA 0.419 4.806 4.340 0.078 0.000 0.282 41 R C 1.104 177.427 176.300 0.038 0.000 1.009 41 R CA 0.608 56.727 56.100 0.032 0.000 1.063 41 R CB -0.048 30.244 30.300 -0.013 0.000 0.945 41 R HN 0.388 nan 8.270 nan 0.000 0.414 42 G N 2.602 111.437 108.800 0.059 0.000 2.507 42 G HA2 0.076 4.083 3.960 0.078 0.000 0.271 42 G HA3 0.076 4.083 3.960 0.078 0.000 0.271 42 G C -0.800 174.123 174.900 0.039 0.000 1.189 42 G CA -0.583 44.539 45.100 0.037 0.000 0.859 42 G HN 0.701 nan 8.290 nan 0.000 0.542 43 Q N -0.381 119.431 119.800 0.020 0.000 2.330 43 Q HA 0.382 4.769 4.340 0.078 0.000 0.279 43 Q C 0.718 176.730 176.000 0.019 0.000 1.024 43 Q CA 0.191 56.011 55.803 0.029 0.000 0.900 43 Q CB 0.574 29.317 28.738 0.008 0.000 1.221 43 Q HN 0.681 nan 8.270 nan 0.000 0.396 44 T N 0.413 114.998 114.554 0.052 0.000 2.938 44 T HA 0.362 4.759 4.350 0.078 0.000 0.285 44 T C 1.306 176.030 174.700 0.040 0.000 1.028 44 T CA -0.309 61.814 62.100 0.038 0.000 1.005 44 T CB 0.458 69.371 68.868 0.075 0.000 1.157 44 T HN 0.730 nan 8.240 nan 0.000 0.550 45 I N -2.748 117.840 120.570 0.030 0.000 2.454 45 I HA 0.072 4.289 4.170 0.078 0.000 0.254 45 I C 1.757 177.845 176.117 -0.050 0.000 1.156 45 I CA 0.835 62.116 61.300 -0.032 0.000 1.433 45 I CB -0.442 37.504 38.000 -0.090 0.000 1.082 45 I HN 0.590 nan 8.210 nan 0.000 0.432 46 W N 2.094 123.382 121.300 -0.019 0.000 2.576 46 W HA -0.025 4.682 4.660 0.079 0.000 0.270 46 W C 2.277 178.847 176.519 0.084 0.000 1.255 46 W CA 0.757 58.113 57.345 0.019 0.000 1.314 46 W CB -0.048 29.276 29.460 -0.226 0.000 1.101 46 W HN 0.137 nan 8.180 nan 0.000 0.595 47 D N -0.476 120.055 120.400 0.219 0.000 2.104 47 D HA -0.164 4.523 4.640 0.078 0.000 0.194 47 D C 1.882 178.400 176.300 0.364 0.000 0.994 47 D CA 2.146 56.367 54.000 0.368 0.000 0.830 47 D CB -0.669 40.279 40.800 0.247 0.000 0.959 47 D HN 0.111 nan 8.370 nan 0.000 0.452 48 T N 0.845 115.533 114.554 0.223 0.000 2.674 48 T HA -0.161 4.236 4.350 0.078 0.000 0.265 48 T C 1.755 176.589 174.700 0.222 0.000 1.039 48 T CA 0.686 62.895 62.100 0.181 0.000 1.150 48 T CB -0.551 68.374 68.868 0.095 0.000 0.864 48 T HN 0.062 nan 8.240 nan 0.000 0.427 49 F N 2.137 122.094 119.950 0.012 0.000 2.095 49 F HA -0.041 4.532 4.527 0.077 0.000 0.298 49 F C 2.505 178.383 175.800 0.129 0.000 1.104 49 F CA 1.072 59.042 58.000 -0.050 0.000 1.232 49 F CB -0.676 38.094 39.000 -0.384 0.000 0.987 49 F HN 0.145 nan 8.300 nan 0.000 0.475 50 A N -1.619 121.446 122.820 0.409 0.000 2.067 50 A HA -0.169 4.198 4.320 0.078 0.000 0.219 50 A C 1.575 179.158 177.584 -0.001 0.000 1.158 50 A CA 1.396 53.626 52.037 0.321 0.000 0.661 50 A CB -0.958 18.286 19.000 0.407 0.000 0.801 50 A HN 0.599 nan 8.150 nan 0.000 0.452 51 H N -0.511 118.645 119.070 0.143 0.000 2.505 51 H HA 0.151 4.755 4.556 0.079 0.000 0.289 51 H C -0.493 174.879 175.328 0.073 0.000 1.052 51 H CA 0.347 56.458 56.048 0.105 0.000 1.156 51 H CB 0.217 30.038 29.762 0.098 0.000 1.507 51 H HN 0.261 nan 8.280 nan 0.000 0.548 52 T N 1.426 116.022 114.554 0.071 0.000 2.794 52 T HA 0.098 4.495 4.350 0.078 0.000 0.280 52 T C -0.216 174.485 174.700 0.000 0.000 0.987 52 T CA -0.620 61.498 62.100 0.030 0.000 0.993 52 T CB 1.236 70.068 68.868 -0.060 0.000 0.939 52 T HN 0.100 nan 8.240 nan 0.000 0.449 53 F N 2.776 122.718 119.950 -0.012 0.000 2.629 53 F HA 0.353 4.928 4.527 0.080 0.000 0.377 53 F C 1.367 177.134 175.800 -0.055 0.000 1.101 53 F CA 1.372 59.376 58.000 0.008 0.000 1.301 53 F CB -0.102 38.922 39.000 0.039 0.000 1.062 53 F HN 0.844 nan 8.300 nan 0.000 0.583 54 G N 4.235 112.309 108.800 -1.209 0.000 2.195 54 G HA2 -0.290 3.717 3.960 0.078 0.000 0.246 54 G HA3 -0.290 3.717 3.960 0.078 0.000 0.246 54 G C 1.074 175.582 174.900 -0.654 0.000 0.984 54 G CA 0.299 44.715 45.100 -1.140 0.000 0.633 54 G HN 0.572 nan 8.290 nan 0.000 0.525 55 K N -0.205 119.839 120.400 -0.593 0.000 2.284 55 K HA 0.339 4.706 4.320 0.078 0.000 0.198 55 K C 1.060 177.429 176.600 -0.384 0.000 1.048 55 K CA 0.586 56.460 56.287 -0.688 0.000 0.987 55 K CB 0.490 32.142 32.500 -1.413 0.000 0.800 55 K HN 0.466 nan 8.250 nan 0.000 0.486 56 I N 2.222 122.623 120.570 -0.280 0.000 2.378 56 I HA 0.081 4.298 4.170 0.078 0.000 0.291 56 I C 1.617 177.530 176.117 -0.340 0.000 0.992 56 I CA -0.174 61.041 61.300 -0.143 0.000 1.154 56 I CB 1.147 39.204 38.000 0.095 0.000 1.315 56 I HN 0.044 nan 8.210 nan 0.000 0.448 57 T N 0.840 115.209 114.554 -0.309 0.000 2.788 57 T HA -0.175 4.222 4.350 0.078 0.000 0.268 57 T C 0.843 175.188 174.700 -0.591 0.000 1.044 57 T CA 1.486 63.343 62.100 -0.406 0.000 1.139 57 T CB -0.197 68.536 68.868 -0.225 0.000 0.867 57 T HN 0.632 nan 8.240 nan 0.000 0.454 58 D N 0.302 120.475 120.400 -0.379 0.000 2.388 58 D HA 0.074 4.761 4.640 0.078 0.000 0.221 58 D C 0.303 176.613 176.300 0.017 0.000 1.133 58 D CA -0.813 53.068 54.000 -0.199 0.000 0.831 58 D CB -1.089 39.711 40.800 -0.001 0.000 0.962 58 D HN 0.510 nan 8.370 nan 0.000 0.502 59 F N -0.085 119.892 119.950 0.046 0.000 3.006 59 F HA -0.290 4.285 4.527 0.079 0.000 0.289 59 F C 0.861 176.720 175.800 0.097 0.000 0.772 59 F CA 0.626 58.661 58.000 0.058 0.000 1.162 59 F CB -2.542 36.499 39.000 0.067 0.000 1.382 59 F HN 0.169 nan 8.300 nan 0.000 0.406 60 S N 0.359 116.220 115.700 0.267 0.000 2.738 60 S HA 0.825 5.342 4.470 0.078 0.000 0.284 60 S C -0.004 174.759 174.600 0.271 0.000 1.146 60 S CA 0.046 58.434 58.200 0.314 0.000 0.997 60 S CB 2.640 66.109 63.200 0.448 0.000 1.081 60 S HN 0.459 nan 8.310 nan 0.000 0.553 61 N N -1.679 117.058 118.700 0.061 0.000 2.972 61 N HA 0.620 5.407 4.740 0.078 0.000 0.262 61 N C -0.933 174.046 175.510 -0.885 0.000 1.478 61 N CA -0.680 52.126 53.050 -0.406 0.000 0.841 61 N CB 0.985 39.237 38.487 -0.391 0.000 1.512 61 N HN 0.766 nan 8.380 nan 0.000 0.548 62 A N -0.726 121.356 122.820 -1.231 0.000 2.630 62 A HA 0.285 4.652 4.320 0.078 0.000 0.290 62 A C 0.124 177.353 177.584 -0.591 0.000 1.267 62 A CA -0.367 51.001 52.037 -1.114 0.000 0.950 62 A CB -0.620 17.323 19.000 -1.761 0.000 1.144 62 A HN 0.623 nan 8.150 nan 0.000 0.527 63 D N -0.282 119.942 120.400 -0.293 0.000 2.149 63 D HA -0.122 4.565 4.640 0.078 0.000 0.198 63 D C 1.709 177.942 176.300 -0.112 0.000 0.990 63 D CA 1.633 55.565 54.000 -0.113 0.000 0.839 63 D CB 0.240 41.049 40.800 0.014 0.000 0.948 63 D HN 0.290 nan 8.370 nan 0.000 0.460 64 V N -0.403 119.449 119.914 -0.103 0.000 3.048 64 V HA 0.298 4.465 4.120 0.078 0.000 0.241 64 V C 1.394 177.457 176.094 -0.053 0.000 1.129 64 V CA 0.644 62.912 62.300 -0.053 0.000 1.128 64 V CB -0.025 31.781 31.823 -0.028 0.000 0.849 64 V HN 0.319 nan 8.190 nan 0.000 0.475 65 A N 0.956 123.738 122.820 -0.063 0.000 5.308 65 A HA -0.321 4.046 4.320 0.078 0.000 0.321 65 A C 1.395 179.023 177.584 0.073 0.000 1.849 65 A CA 3.020 55.073 52.037 0.028 0.000 0.713 65 A CB -1.701 17.240 19.000 -0.098 0.000 1.360 65 A HN 1.480 nan 8.150 nan 0.000 0.384 66 V N -2.868 117.064 119.914 0.031 0.000 3.319 66 V HA 0.542 4.709 4.120 0.078 0.000 0.317 66 V C 0.515 176.620 176.094 0.019 0.000 1.411 66 V CA 1.795 64.095 62.300 0.000 0.000 1.112 66 V CB -0.025 31.732 31.823 -0.109 0.000 1.031 66 V HN 1.809 nan 8.190 nan 0.000 0.448 67 D N 0.807 121.241 120.400 0.058 0.000 2.800 67 D HA -0.298 4.389 4.640 0.078 0.000 0.232 67 D C 1.117 177.508 176.300 0.152 0.000 1.137 67 D CA 1.448 55.522 54.000 0.123 0.000 0.718 67 D CB -1.351 39.526 40.800 0.128 0.000 1.084 67 D HN 0.750 nan 8.370 nan 0.000 0.432 68 Q N -1.275 118.627 119.800 0.171 0.000 2.291 68 Q HA -0.181 4.206 4.340 0.078 0.000 0.205 68 Q C 1.753 177.914 176.000 0.267 0.000 0.970 68 Q CA 1.050 56.989 55.803 0.226 0.000 0.876 68 Q CB -0.112 28.826 28.738 0.334 0.000 0.935 68 Q HN 0.710 nan 8.270 nan 0.000 0.455 69 Y N 0.037 120.361 120.300 0.039 0.000 2.193 69 Y HA -0.291 4.305 4.550 0.078 0.000 0.285 69 Y C 1.332 177.202 175.900 -0.049 0.000 1.166 69 Y CA 2.482 60.515 58.100 -0.111 0.000 1.181 69 Y CB -0.039 38.156 38.460 -0.442 0.000 0.976 69 Y HN 0.339 nan 8.280 nan 0.000 0.520 70 H N -1.799 117.388 119.070 0.195 0.000 2.520 70 H HA 0.253 4.856 4.556 0.078 0.000 0.279 70 H C 1.381 176.625 175.328 -0.139 0.000 0.990 70 H CA 0.603 56.664 56.048 0.021 0.000 1.288 70 H CB 0.214 30.000 29.762 0.041 0.000 1.446 70 H HN 0.104 nan 8.280 nan 0.000 0.538 71 R N 1.078 121.594 120.500 0.028 0.000 2.466 71 R HA 0.074 4.461 4.340 0.078 0.000 0.279 71 R C 0.576 176.784 176.300 -0.154 0.000 0.976 71 R CA -0.078 55.963 56.100 -0.097 0.000 1.081 71 R CB -0.047 30.231 30.300 -0.037 0.000 1.215 71 R HN 0.387 nan 8.270 nan 0.000 0.546 72 F N 0.557 120.457 119.950 -0.083 0.000 2.269 72 F HA -0.037 4.537 4.527 0.078 0.000 0.301 72 F C 1.554 177.252 175.800 -0.170 0.000 1.082 72 F CA 0.844 58.763 58.000 -0.134 0.000 1.360 72 F CB -0.220 38.679 39.000 -0.170 0.000 1.041 72 F HN -0.098 nan 8.300 nan 0.000 0.512 73 E N 0.952 120.828 120.200 -0.539 0.000 2.072 73 E HA -0.228 4.169 4.350 0.078 0.000 0.191 73 E C 2.090 178.564 176.600 -0.210 0.000 0.985 73 E CA 1.273 57.489 56.400 -0.307 0.000 0.801 73 E CB -0.407 29.061 29.700 -0.387 0.000 0.750 73 E HN 0.715 nan 8.360 nan 0.000 0.452 74 E N 1.268 121.333 120.200 -0.224 0.000 2.038 74 E HA -0.232 4.165 4.350 0.078 0.000 0.195 74 E C 1.470 177.946 176.600 -0.207 0.000 1.000 74 E CA 1.497 57.782 56.400 -0.193 0.000 0.803 74 E CB 0.086 29.675 29.700 -0.184 0.000 0.750 74 E HN 0.088 nan 8.360 nan 0.000 0.448 75 D N 0.436 120.717 120.400 -0.199 0.000 2.178 75 D HA -0.139 4.548 4.640 0.078 0.000 0.201 75 D C 2.054 178.187 176.300 -0.278 0.000 0.980 75 D CA 0.861 54.714 54.000 -0.245 0.000 0.842 75 D CB -0.191 40.510 40.800 -0.164 0.000 0.948 75 D HN 0.352 nan 8.370 nan 0.000 0.472 76 I N 0.452 120.889 120.570 -0.223 0.000 2.286 76 I HA -0.285 3.932 4.170 0.078 0.000 0.248 76 I C 2.423 178.442 176.117 -0.163 0.000 1.115 76 I CA 0.873 62.047 61.300 -0.209 0.000 1.392 76 I CB -0.088 37.837 38.000 -0.125 0.000 1.065 76 I HN -0.065 nan 8.210 nan 0.000 0.418 77 Q N 1.244 120.954 119.800 -0.149 0.000 2.124 77 Q HA -0.144 4.243 4.340 0.078 0.000 0.202 77 Q C 2.105 178.033 176.000 -0.120 0.000 0.977 77 Q CA 1.693 57.426 55.803 -0.118 0.000 0.850 77 Q CB -0.313 28.357 28.738 -0.112 0.000 0.901 77 Q HN 0.497 nan 8.270 nan 0.000 0.429 78 L N -0.730 120.371 121.223 -0.203 0.000 2.141 78 L HA -0.147 4.240 4.340 0.078 0.000 0.209 78 L C 2.352 179.181 176.870 -0.068 0.000 1.094 78 L CA 0.962 55.657 54.840 -0.242 0.000 0.763 78 L CB -0.428 41.175 42.059 -0.759 0.000 0.908 78 L HN 0.331 nan 8.230 nan 0.000 0.437 79 M N -0.455 119.072 119.600 -0.122 0.000 2.123 79 M HA -0.120 4.407 4.480 0.078 0.000 0.263 79 M C 2.561 178.845 176.300 -0.028 0.000 1.069 79 M CA 1.810 57.069 55.300 -0.068 0.000 1.133 79 M CB -0.493 32.011 32.600 -0.160 0.000 1.356 79 M HN 0.264 nan 8.290 nan 0.000 0.415 80 A N 0.252 123.044 122.820 -0.045 0.000 2.019 80 A HA -0.175 4.192 4.320 0.078 0.000 0.219 80 A C 1.611 179.194 177.584 -0.001 0.000 1.164 80 A CA 1.818 53.841 52.037 -0.023 0.000 0.644 80 A CB -0.727 18.253 19.000 -0.033 0.000 0.805 80 A HN 0.382 nan 8.150 nan 0.000 0.449 81 D N -0.475 119.934 120.400 0.015 0.000 2.221 81 D HA -0.120 4.567 4.640 0.078 0.000 0.204 81 D C 1.691 178.022 176.300 0.053 0.000 0.982 81 D CA 1.234 55.260 54.000 0.044 0.000 0.857 81 D CB -0.214 40.639 40.800 0.090 0.000 0.934 81 D HN 0.536 nan 8.370 nan 0.000 0.475 82 M N -1.550 118.084 119.600 0.056 0.000 2.441 82 M HA 0.191 4.718 4.480 0.078 0.000 0.244 82 M C 1.056 177.363 176.300 0.011 0.000 1.122 82 M CA 0.406 55.734 55.300 0.047 0.000 1.041 82 M CB 0.968 33.608 32.600 0.065 0.000 1.438 82 M HN 0.030 nan 8.290 nan 0.000 0.484 83 G N 1.316 110.118 108.800 0.004 0.000 2.160 83 G HA2 -0.193 3.814 3.960 0.078 0.000 0.244 83 G HA3 -0.193 3.814 3.960 0.078 0.000 0.244 83 G C 0.073 174.973 174.900 -0.000 0.000 1.022 83 G CA -0.351 44.746 45.100 -0.004 0.000 0.741 83 G HN 0.270 nan 8.290 nan 0.000 0.508 84 M N 0.549 120.148 119.600 -0.002 0.000 2.250 84 M HA 0.136 4.662 4.480 0.078 0.000 0.337 84 M C 1.110 177.417 176.300 0.011 0.000 1.161 84 M CA 0.429 55.728 55.300 -0.001 0.000 1.088 84 M CB 0.231 32.821 32.600 -0.017 0.000 1.639 84 M HN 0.135 nan 8.290 nan 0.000 0.447 85 D N 1.126 121.531 120.400 0.009 0.000 2.305 85 D HA 0.270 4.957 4.640 0.078 0.000 0.206 85 D C 0.337 176.649 176.300 0.021 0.000 0.974 85 D CA 0.593 54.601 54.000 0.014 0.000 0.871 85 D CB 0.512 41.312 40.800 -0.001 0.000 0.947 85 D HN 0.627 nan 8.370 nan 0.000 0.516 86 A N -0.329 122.485 122.820 -0.009 0.000 2.609 86 A HA 0.542 4.909 4.320 0.078 0.000 0.291 86 A C -2.068 175.665 177.584 0.249 0.000 1.096 86 A CA -0.626 51.474 52.037 0.105 0.000 0.684 86 A CB 1.777 20.741 19.000 -0.061 0.000 1.282 86 A HN 0.001 nan 8.150 nan 0.000 0.412 87 Y N 0.553 120.987 120.300 0.223 0.000 2.386 87 Y HA 0.633 5.229 4.550 0.077 0.000 0.334 87 Y C -0.196 175.852 175.900 0.246 0.000 1.002 87 Y CA -0.785 57.449 58.100 0.224 0.000 1.068 87 Y CB 1.584 40.136 38.460 0.153 0.000 1.203 87 Y HN 0.821 nan 8.280 nan 0.000 0.443 88 R N 6.797 127.185 120.500 -0.187 0.000 2.265 88 R HA 0.588 4.975 4.340 0.078 0.000 0.319 88 R C -1.678 174.232 176.300 -0.649 0.000 1.006 88 R CA -0.297 55.520 56.100 -0.472 0.000 0.880 88 R CB 0.372 30.276 30.300 -0.661 0.000 1.077 88 R HN 0.583 nan 8.270 nan 0.000 0.454 89 F N 0.785 120.390 119.950 -0.574 0.000 2.643 89 F HA 0.596 5.169 4.527 0.077 0.000 0.314 89 F C -1.121 174.524 175.800 -0.259 0.000 1.096 89 F CA -1.097 56.586 58.000 -0.528 0.000 0.953 89 F CB 1.405 40.105 39.000 -0.501 0.000 1.345 89 F HN 0.430 nan 8.300 nan 0.000 0.468 90 S N 1.542 117.231 115.700 -0.019 0.000 2.578 90 S HA 0.763 5.280 4.470 0.078 0.000 0.301 90 S C -0.784 173.871 174.600 0.092 0.000 1.091 90 S CA -0.762 57.417 58.200 -0.034 0.000 1.032 90 S CB 1.399 64.638 63.200 0.065 0.000 1.064 90 S HN 0.724 nan 8.310 nan 0.000 0.508 91 I N 2.026 122.563 120.570 -0.055 0.000 2.365 91 I HA 0.398 4.615 4.170 0.078 0.000 0.291 91 I C 0.625 176.857 176.117 0.193 0.000 1.004 91 I CA -0.639 60.530 61.300 -0.219 0.000 1.311 91 I CB 1.251 39.065 38.000 -0.311 0.000 1.401 91 I HN 0.882 nan 8.210 nan 0.000 0.491 92 A N 7.152 130.164 122.820 0.320 0.000 2.395 92 A HA 0.000 4.367 4.320 0.078 0.000 0.286 92 A C 0.731 178.577 177.584 0.438 0.000 1.193 92 A CA -0.387 51.899 52.037 0.415 0.000 0.852 92 A CB -0.112 19.152 19.000 0.439 0.000 1.118 92 A HN 0.975 nan 8.150 nan 0.000 0.524 93 W N 3.461 124.830 121.300 0.116 0.000 2.321 93 W HA -0.259 4.448 4.660 0.077 0.000 0.306 93 W C 2.066 178.583 176.519 -0.004 0.000 1.217 93 W CA 2.418 59.597 57.345 -0.276 0.000 1.257 93 W CB -0.817 28.354 29.460 -0.481 0.000 1.145 93 W HN 0.789 nan 8.180 nan 0.000 0.509 94 S N 0.273 116.161 115.700 0.314 0.000 2.547 94 S HA -0.086 4.431 4.470 0.078 0.000 0.235 94 S C 1.792 176.531 174.600 0.231 0.000 0.980 94 S CA 0.841 59.161 58.200 0.201 0.000 0.941 94 S CB -0.440 62.825 63.200 0.109 0.000 0.763 94 S HN 0.377 nan 8.310 nan 0.000 0.532 95 R N -0.095 120.592 120.500 0.312 0.000 2.210 95 R HA 0.244 4.631 4.340 0.078 0.000 0.203 95 R C 1.463 177.951 176.300 0.312 0.000 1.010 95 R CA 0.609 56.893 56.100 0.307 0.000 1.008 95 R CB -0.091 30.466 30.300 0.428 0.000 0.923 95 R HN 0.428 nan 8.270 nan 0.000 0.469 96 I N -0.763 120.026 120.570 0.365 0.000 2.512 96 I HA -0.064 4.153 4.170 0.078 0.000 0.247 96 I C 0.343 176.467 176.117 0.012 0.000 1.094 96 I CA 1.061 62.511 61.300 0.249 0.000 1.427 96 I CB -0.397 37.865 38.000 0.437 0.000 1.149 96 I HN -0.035 nan 8.210 nan 0.000 0.438 97 Y N 1.216 121.702 120.300 0.311 0.000 2.686 97 Y HA 0.336 4.933 4.550 0.078 0.000 0.331 97 Y C -1.744 174.244 175.900 0.147 0.000 0.996 97 Y CA -1.871 56.371 58.100 0.237 0.000 1.293 97 Y CB 0.810 39.460 38.460 0.317 0.000 1.092 97 Y HN -0.038 nan 8.280 nan 0.000 0.524 98 P HA -0.146 nan 4.420 nan 0.000 0.219 98 P C 0.539 177.868 177.300 0.049 0.000 1.146 98 P CA 1.519 64.683 63.100 0.107 0.000 0.808 98 P CB 0.383 32.130 31.700 0.078 0.000 0.779 99 N N -1.783 116.961 118.700 0.073 0.000 2.251 99 N HA 0.124 4.911 4.740 0.078 0.000 0.217 99 N C 1.409 176.888 175.510 -0.053 0.000 1.124 99 N CA 0.841 53.891 53.050 -0.001 0.000 0.843 99 N CB 0.438 38.937 38.487 0.020 0.000 1.024 99 N HN 0.120 nan 8.380 nan 0.000 0.501 100 G N 0.298 109.070 108.800 -0.046 0.000 2.708 100 G HA2 -0.342 3.665 3.960 0.078 0.000 0.229 100 G HA3 -0.342 3.665 3.960 0.078 0.000 0.229 100 G C 0.228 175.192 174.900 0.108 0.000 1.236 100 G CA 0.828 45.825 45.100 -0.171 0.000 0.749 100 G HN 0.400 nan 8.290 nan 0.000 0.515 101 V N -2.822 117.118 119.914 0.043 0.000 3.164 101 V HA 1.015 5.182 4.120 0.078 0.000 0.313 101 V C 1.239 177.443 176.094 0.183 0.000 1.188 101 V CA 0.609 62.904 62.300 -0.008 0.000 1.058 101 V CB 1.092 32.910 31.823 -0.008 0.000 1.110 101 V HN 2.482 nan 8.190 nan 0.000 0.453 102 G N 0.458 109.384 108.800 0.211 0.000 2.826 102 G HA2 -0.193 3.814 3.960 0.078 0.000 0.233 102 G HA3 -0.193 3.814 3.960 0.078 0.000 0.233 102 G C -0.098 174.969 174.900 0.279 0.000 1.296 102 G CA 0.371 45.595 45.100 0.207 0.000 1.001 102 G HN 1.249 nan 8.290 nan 0.000 0.576 103 Q N 0.560 120.476 119.800 0.193 0.000 2.288 103 Q HA 0.519 4.906 4.340 0.078 0.000 0.258 103 Q C 0.302 176.323 176.000 0.035 0.000 0.957 103 Q CA -0.495 55.374 55.803 0.109 0.000 0.919 103 Q CB 1.075 29.854 28.738 0.067 0.000 1.185 103 Q HN 0.559 nan 8.270 nan 0.000 0.408 104 V N 4.237 124.097 119.914 -0.089 0.000 2.614 104 V HA 0.029 4.196 4.120 0.078 0.000 0.291 104 V C 0.198 176.208 176.094 -0.139 0.000 1.049 104 V CA -0.336 61.770 62.300 -0.323 0.000 1.038 104 V CB 1.079 32.723 31.823 -0.299 0.000 0.980 104 V HN 0.743 nan 8.190 nan 0.000 0.481 105 N N 2.814 121.443 118.700 -0.118 0.000 2.527 105 N HA 0.191 4.978 4.740 0.078 0.000 0.236 105 N C 0.713 176.243 175.510 0.033 0.000 0.999 105 N CA -0.342 52.706 53.050 -0.003 0.000 0.935 105 N CB 1.330 39.845 38.487 0.047 0.000 1.132 105 N HN 0.632 nan 8.380 nan 0.000 0.511 106 Q N 3.648 123.467 119.800 0.031 0.000 2.181 106 Q HA -0.024 4.363 4.340 0.078 0.000 0.205 106 Q C 1.501 177.558 176.000 0.096 0.000 0.980 106 Q CA 2.000 57.834 55.803 0.051 0.000 0.862 106 Q CB -0.218 28.542 28.738 0.037 0.000 0.905 106 Q HN 0.732 nan 8.270 nan 0.000 0.429 107 A N -0.572 122.307 122.820 0.100 0.000 2.019 107 A HA -0.012 4.355 4.320 0.078 0.000 0.219 107 A C 2.187 179.880 177.584 0.181 0.000 1.164 107 A CA 1.452 53.565 52.037 0.127 0.000 0.644 107 A CB -1.081 17.988 19.000 0.114 0.000 0.805 107 A HN 0.534 nan 8.150 nan 0.000 0.449 108 G N 0.094 109.017 108.800 0.205 0.000 2.394 108 G HA2 -0.128 3.879 3.960 0.078 0.000 0.214 108 G HA3 -0.128 3.879 3.960 0.078 0.000 0.214 108 G C 1.510 176.667 174.900 0.428 0.000 1.176 108 G CA 0.992 46.281 45.100 0.315 0.000 0.786 108 G HN 0.455 nan 8.290 nan 0.000 0.533 109 I N 1.255 122.046 120.570 0.367 0.000 2.163 109 I HA -0.178 4.039 4.170 0.078 0.000 0.243 109 I C 2.297 178.638 176.117 0.373 0.000 1.085 109 I CA 1.384 62.949 61.300 0.442 0.000 1.347 109 I CB -0.191 37.924 38.000 0.191 0.000 1.044 109 I HN 0.056 nan 8.210 nan 0.000 0.408 110 D N -0.505 120.025 120.400 0.218 0.000 2.144 110 D HA -0.241 4.446 4.640 0.078 0.000 0.199 110 D C 1.957 178.300 176.300 0.072 0.000 0.984 110 D CA 1.499 55.583 54.000 0.140 0.000 0.834 110 D CB -0.450 40.414 40.800 0.106 0.000 0.955 110 D HN 0.465 nan 8.370 nan 0.000 0.465 111 H N -0.345 118.702 119.070 -0.039 0.000 2.293 111 H HA -0.156 4.447 4.556 0.078 0.000 0.300 111 H C 1.707 176.779 175.328 -0.427 0.000 1.082 111 H CA 1.698 57.571 56.048 -0.292 0.000 1.308 111 H CB -0.427 29.082 29.762 -0.422 0.000 1.375 111 H HN 0.117 nan 8.280 nan 0.000 0.495 112 Y N 0.318 120.491 120.300 -0.211 0.000 2.293 112 Y HA -0.140 4.457 4.550 0.078 0.000 0.291 112 Y C 2.476 178.157 175.900 -0.364 0.000 1.137 112 Y CA 1.062 58.908 58.100 -0.422 0.000 1.202 112 Y CB -0.416 37.800 38.460 -0.408 0.000 0.990 112 Y HN 0.321 nan 8.280 nan 0.000 0.537 113 N N 0.501 119.239 118.700 0.065 0.000 2.104 113 N HA -0.166 4.621 4.740 0.078 0.000 0.190 113 N C 1.638 177.103 175.510 -0.076 0.000 1.024 113 N CA 1.404 54.511 53.050 0.095 0.000 0.853 113 N CB -0.265 38.342 38.487 0.199 0.000 1.008 113 N HN 0.381 nan 8.380 nan 0.000 0.424 114 K N 0.347 120.638 120.400 -0.181 0.000 2.057 114 K HA -0.119 4.248 4.320 0.078 0.000 0.207 114 K C 1.937 178.318 176.600 -0.365 0.000 1.049 114 K CA 0.726 56.898 56.287 -0.191 0.000 0.931 114 K CB -0.228 32.191 32.500 -0.135 0.000 0.714 114 K HN 0.054 nan 8.250 nan 0.000 0.440 115 L N 1.414 122.153 121.223 -0.805 0.000 2.027 115 L HA -0.101 4.286 4.340 0.078 0.000 0.206 115 L C 1.896 178.478 176.870 -0.479 0.000 1.074 115 L CA 1.505 55.734 54.840 -1.017 0.000 0.745 115 L CB -0.231 41.033 42.059 -1.325 0.000 0.898 115 L HN 0.119 nan 8.230 nan 0.000 0.433 116 I N -0.207 120.177 120.570 -0.311 0.000 2.226 116 I HA -0.267 3.950 4.170 0.078 0.000 0.245 116 I C 1.979 178.067 176.117 -0.048 0.000 1.100 116 I CA 1.357 62.598 61.300 -0.098 0.000 1.374 116 I CB -0.514 37.480 38.000 -0.009 0.000 1.057 116 I HN 0.288 nan 8.210 nan 0.000 0.413 117 D N 1.009 121.379 120.400 -0.049 0.000 2.117 117 D HA -0.114 4.573 4.640 0.078 0.000 0.198 117 D C 2.277 178.575 176.300 -0.004 0.000 0.982 117 D CA 1.470 55.466 54.000 -0.006 0.000 0.828 117 D CB -0.240 40.564 40.800 0.007 0.000 0.967 117 D HN 0.325 nan 8.370 nan 0.000 0.464 118 A N 0.813 123.627 122.820 -0.009 0.000 1.883 118 A HA -0.153 4.214 4.320 0.078 0.000 0.217 118 A C 2.388 179.973 177.584 0.001 0.000 1.186 118 A CA 1.033 53.086 52.037 0.026 0.000 0.624 118 A CB -0.854 18.230 19.000 0.139 0.000 0.822 118 A HN 0.195 nan 8.150 nan 0.000 0.444 119 L N -0.803 120.406 121.223 -0.024 0.000 1.994 119 L HA -0.192 4.195 4.340 0.078 0.000 0.208 119 L C 2.605 179.487 176.870 0.019 0.000 1.071 119 L CA 1.328 56.166 54.840 -0.004 0.000 0.745 119 L CB -0.501 41.575 42.059 0.029 0.000 0.892 119 L HN 0.374 nan 8.230 nan 0.000 0.431 120 L N -0.648 120.589 121.223 0.024 0.000 2.131 120 L HA -0.180 4.207 4.340 0.078 0.000 0.210 120 L C 2.744 179.627 176.870 0.022 0.000 1.092 120 L CA 0.954 55.813 54.840 0.031 0.000 0.759 120 L CB -0.637 41.441 42.059 0.032 0.000 0.903 120 L HN 0.260 nan 8.230 nan 0.000 0.435 121 A N -0.766 122.062 122.820 0.014 0.000 2.067 121 A HA -0.131 4.236 4.320 0.078 0.000 0.219 121 A C 2.077 179.664 177.584 0.005 0.000 1.158 121 A CA 1.204 53.247 52.037 0.010 0.000 0.661 121 A CB -0.142 18.861 19.000 0.006 0.000 0.801 121 A HN 0.157 nan 8.150 nan 0.000 0.452 122 K N -1.156 119.246 120.400 0.002 0.000 2.404 122 K HA 0.163 4.530 4.320 0.078 0.000 0.194 122 K C 0.985 177.589 176.600 0.007 0.000 1.023 122 K CA 0.663 56.948 56.287 -0.004 0.000 1.094 122 K CB -0.053 32.436 32.500 -0.019 0.000 0.841 122 K HN 0.714 nan 8.250 nan 0.000 0.523 123 G N 1.991 110.802 108.800 0.018 0.000 2.160 123 G HA2 -0.252 3.755 3.960 0.078 0.000 0.244 123 G HA3 -0.252 3.755 3.960 0.078 0.000 0.244 123 G C -0.000 174.924 174.900 0.040 0.000 1.022 123 G CA -0.058 45.060 45.100 0.029 0.000 0.741 123 G HN 0.282 nan 8.290 nan 0.000 0.508 124 I N 0.703 121.300 120.570 0.046 0.000 2.339 124 I HA 0.294 4.511 4.170 0.078 0.000 0.290 124 I C 0.242 176.428 176.117 0.114 0.000 0.994 124 I CA -0.891 60.452 61.300 0.071 0.000 1.191 124 I CB 1.512 39.543 38.000 0.052 0.000 1.343 124 I HN -0.052 nan 8.210 nan 0.000 0.458 125 Q N 7.872 127.763 119.800 0.152 0.000 2.304 125 Q HA 0.292 4.679 4.340 0.078 0.000 0.260 125 Q C -2.305 173.859 176.000 0.273 0.000 0.965 125 Q CA -1.772 54.143 55.803 0.187 0.000 0.898 125 Q CB 1.123 29.994 28.738 0.221 0.000 1.196 125 Q HN 0.274 nan 8.270 nan 0.000 0.402 126 P HA 0.140 nan 4.420 nan 0.000 0.282 126 P C -1.203 176.061 177.300 -0.061 0.000 1.262 126 P CA -0.224 62.985 63.100 0.181 0.000 0.773 126 P CB 0.275 32.067 31.700 0.154 0.000 0.879 127 Y N 2.099 122.227 120.300 -0.288 0.000 2.356 127 Y HA 0.292 4.891 4.550 0.081 0.000 0.334 127 Y C 0.299 175.783 175.900 -0.694 0.000 0.958 127 Y CA -0.757 57.054 58.100 -0.482 0.000 1.196 127 Y CB 1.515 39.627 38.460 -0.579 0.000 1.137 127 Y HN 0.084 nan 8.280 nan 0.000 0.485 128 V N 3.694 123.210 119.914 -0.664 0.000 2.370 128 V HA 0.335 4.502 4.120 0.078 0.000 0.283 128 V C -0.019 175.867 176.094 -0.346 0.000 1.023 128 V CA -0.800 61.014 62.300 -0.810 0.000 0.857 128 V CB 1.582 32.843 31.823 -0.937 0.000 0.985 128 V HN 0.722 nan 8.190 nan 0.000 0.443 129 T N 6.582 120.951 114.554 -0.309 0.000 2.749 129 T HA 0.385 4.782 4.350 0.078 0.000 0.295 129 T C 1.243 175.977 174.700 0.057 0.000 0.936 129 T CA -0.242 61.818 62.100 -0.067 0.000 1.060 129 T CB 1.097 69.946 68.868 -0.032 0.000 0.904 129 T HN 0.418 nan 8.240 nan 0.000 0.500 130 L N 1.959 123.291 121.223 0.182 0.000 2.131 130 L HA 0.155 4.542 4.340 0.078 0.000 0.206 130 L C 0.366 177.593 176.870 0.595 0.000 1.087 130 L CA 0.887 55.886 54.840 0.265 0.000 0.767 130 L CB 0.023 42.139 42.059 0.095 0.000 0.917 130 L HN 0.597 nan 8.230 nan 0.000 0.441 131 Y N -0.227 120.337 120.300 0.439 0.000 2.376 131 Y HA 0.303 4.900 4.550 0.079 0.000 0.326 131 Y C -0.233 175.878 175.900 0.351 0.000 0.970 131 Y CA -0.959 57.458 58.100 0.528 0.000 1.248 131 Y CB 0.329 39.165 38.460 0.628 0.000 1.117 131 Y HN -0.013 nan 8.280 nan 0.000 0.476 132 H N 6.769 125.728 119.070 -0.185 0.000 2.500 132 H HA 0.159 4.761 4.556 0.077 0.000 0.243 132 H C -0.722 174.408 175.328 -0.330 0.000 1.318 132 H CA -0.146 55.710 56.048 -0.319 0.000 1.077 132 H CB -0.185 29.450 29.762 -0.212 0.000 1.748 132 H HN 0.974 nan 8.280 nan 0.000 0.556 133 W N 0.013 120.797 121.300 -0.859 0.000 1.273 133 W HA -0.203 4.502 4.660 0.076 0.000 0.240 133 W C -0.152 176.358 176.519 -0.015 0.000 0.987 133 W CA 0.640 57.692 57.345 -0.488 0.000 0.393 133 W CB -2.170 27.083 29.460 -0.346 0.000 1.994 133 W HN 0.509 nan 8.180 nan 0.000 1.170 134 D N 1.127 121.633 120.400 0.176 0.000 2.767 134 D HA 0.415 5.102 4.640 0.078 0.000 0.241 134 D C 0.243 176.792 176.300 0.414 0.000 1.187 134 D CA -0.381 53.834 54.000 0.358 0.000 0.999 134 D CB -0.403 40.578 40.800 0.301 0.000 1.042 134 D HN 0.087 nan 8.370 nan 0.000 0.510 135 L N 1.024 122.584 121.223 0.562 0.000 2.499 135 L HA 0.228 4.615 4.340 0.078 0.000 0.273 135 L C -2.342 174.479 176.870 -0.082 0.000 1.195 135 L CA -1.147 53.857 54.840 0.273 0.000 0.882 135 L CB 0.245 42.465 42.059 0.270 0.000 1.133 135 L HN 0.006 nan 8.230 nan 0.000 0.483 136 P HA -0.021 nan 4.420 nan 0.000 0.264 136 P C -0.306 176.834 177.300 -0.267 0.000 1.193 136 P CA 0.115 63.013 63.100 -0.338 0.000 0.763 136 P CB 0.643 32.023 31.700 -0.533 0.000 0.810 137 Q N 4.784 124.493 119.800 -0.153 0.000 2.170 137 Q HA -0.188 4.199 4.340 0.078 0.000 0.203 137 Q C 1.921 177.813 176.000 -0.180 0.000 0.976 137 Q CA 2.165 57.890 55.803 -0.131 0.000 0.858 137 Q CB -1.029 27.669 28.738 -0.067 0.000 0.907 137 Q HN 0.504 nan 8.270 nan 0.000 0.433 138 A N 0.143 122.849 122.820 -0.191 0.000 1.948 138 A HA -0.173 4.194 4.320 0.078 0.000 0.220 138 A C 2.001 179.394 177.584 -0.319 0.000 1.177 138 A CA 1.601 53.517 52.037 -0.202 0.000 0.636 138 A CB -0.705 18.200 19.000 -0.159 0.000 0.815 138 A HN 0.476 nan 8.150 nan 0.000 0.449 139 L N -1.500 119.458 121.223 -0.440 0.000 2.179 139 L HA -0.093 4.294 4.340 0.078 0.000 0.208 139 L C 2.551 178.995 176.870 -0.710 0.000 1.096 139 L CA 1.355 55.763 54.840 -0.721 0.000 0.779 139 L CB -0.440 41.177 42.059 -0.737 0.000 0.922 139 L HN 0.417 nan 8.230 nan 0.000 0.443 140 E N 0.779 120.734 120.200 -0.407 0.000 2.077 140 E HA -0.225 4.172 4.350 0.078 0.000 0.193 140 E C 1.666 178.141 176.600 -0.209 0.000 0.989 140 E CA 1.528 57.779 56.400 -0.248 0.000 0.800 140 E CB 0.057 29.672 29.700 -0.142 0.000 0.746 140 E HN 0.339 nan 8.360 nan 0.000 0.452 141 D N -0.148 120.129 120.400 -0.205 0.000 2.149 141 D HA -0.121 4.566 4.640 0.078 0.000 0.201 141 D C 1.699 177.904 176.300 -0.157 0.000 0.972 141 D CA 0.830 54.745 54.000 -0.141 0.000 0.835 141 D CB -0.193 40.539 40.800 -0.113 0.000 0.966 141 D HN 0.161 nan 8.370 nan 0.000 0.476 142 K N -0.023 120.218 120.400 -0.265 0.000 2.025 142 K HA -0.146 4.221 4.320 0.078 0.000 0.207 142 K C 0.826 177.362 176.600 -0.107 0.000 1.049 142 K CA 1.172 57.324 56.287 -0.225 0.000 0.933 142 K CB 0.131 32.421 32.500 -0.349 0.000 0.714 142 K HN 0.392 nan 8.250 nan 0.000 0.438 143 Y N -2.650 117.606 120.300 -0.075 0.000 2.926 143 Y HA 0.385 4.982 4.550 0.078 0.000 0.258 143 Y C -0.748 175.117 175.900 -0.058 0.000 1.110 143 Y CA -0.943 57.117 58.100 -0.066 0.000 1.224 143 Y CB 0.053 38.463 38.460 -0.083 0.000 1.276 143 Y HN -0.111 nan 8.280 nan 0.000 0.595 144 K N 1.334 121.746 120.400 0.020 0.000 3.117 144 K HA -0.192 4.175 4.320 0.078 0.000 0.269 144 K C 1.212 177.875 176.600 0.104 0.000 1.098 144 K CA 0.719 57.041 56.287 0.057 0.000 0.785 144 K CB -1.698 30.864 32.500 0.104 0.000 1.242 144 K HN 1.097 nan 8.250 nan 0.000 0.491 145 G N 0.430 109.223 108.800 -0.012 0.000 2.629 145 G HA2 -0.373 3.634 3.960 0.078 0.000 0.313 145 G HA3 -0.373 3.634 3.960 0.078 0.000 0.313 145 G C 0.509 175.388 174.900 -0.036 0.000 1.217 145 G CA 0.671 45.704 45.100 -0.111 0.000 0.994 145 G HN 0.381 nan 8.290 nan 0.000 0.549 146 W N 1.124 122.432 121.300 0.012 0.000 2.721 146 W HA 0.325 5.034 4.660 0.081 0.000 0.245 146 W C 2.525 179.030 176.519 -0.024 0.000 1.276 146 W CA 0.539 57.797 57.345 -0.145 0.000 1.342 146 W CB -0.249 28.950 29.460 -0.434 0.000 1.135 146 W HN 0.303 nan 8.180 nan 0.000 0.654 147 L N -0.543 120.792 121.223 0.187 0.000 2.395 147 L HA -0.009 4.378 4.340 0.078 0.000 0.218 147 L C 0.859 177.865 176.870 0.227 0.000 1.130 147 L CA 0.751 55.694 54.840 0.172 0.000 0.826 147 L CB -0.315 41.826 42.059 0.137 0.000 0.941 147 L HN -0.147 nan 8.230 nan 0.000 0.451 148 D N -0.630 119.812 120.400 0.070 0.000 2.256 148 D HA 0.080 4.767 4.640 0.078 0.000 0.246 148 D C 0.664 176.608 176.300 -0.593 0.000 1.042 148 D CA -0.455 53.440 54.000 -0.176 0.000 0.841 148 D CB 2.243 42.883 40.800 -0.268 0.000 1.223 148 D HN -0.211 nan 8.370 nan 0.000 0.470 149 R N 2.226 122.368 120.500 -0.598 0.000 2.211 149 R HA -0.208 4.179 4.340 0.078 0.000 0.240 149 R C 1.729 177.711 176.300 -0.530 0.000 1.144 149 R CA 1.696 57.387 56.100 -0.682 0.000 0.992 149 R CB -0.270 29.865 30.300 -0.275 0.000 0.869 149 R HN 0.369 nan 8.270 nan 0.000 0.462 150 Q N -0.008 119.419 119.800 -0.621 0.000 2.291 150 Q HA -0.089 4.298 4.340 0.078 0.000 0.206 150 Q C 1.679 177.373 176.000 -0.510 0.000 0.976 150 Q CA 1.363 56.798 55.803 -0.614 0.000 0.875 150 Q CB -0.397 27.796 28.738 -0.910 0.000 0.927 150 Q HN 0.463 nan 8.270 nan 0.000 0.450 151 I N -0.851 119.376 120.570 -0.573 0.000 2.335 151 I HA -0.232 3.985 4.170 0.078 0.000 0.251 151 I C 1.658 177.667 176.117 -0.179 0.000 1.129 151 I CA 0.888 61.981 61.300 -0.344 0.000 1.402 151 I CB -0.223 37.424 38.000 -0.587 0.000 1.069 151 I HN 0.085 nan 8.210 nan 0.000 0.424 152 V N 0.535 120.350 119.914 -0.165 0.000 2.237 152 V HA -0.296 3.871 4.120 0.078 0.000 0.245 152 V C 2.169 178.290 176.094 0.045 0.000 1.046 152 V CA 2.277 64.577 62.300 -0.000 0.000 1.007 152 V CB -0.864 30.946 31.823 -0.022 0.000 0.638 152 V HN 0.369 nan 8.190 nan 0.000 0.445 153 D N -0.194 120.190 120.400 -0.027 0.000 2.178 153 D HA -0.134 4.553 4.640 0.078 0.000 0.202 153 D C 1.879 178.169 176.300 -0.016 0.000 0.974 153 D CA 1.176 55.163 54.000 -0.022 0.000 0.841 153 D CB -0.324 40.449 40.800 -0.046 0.000 0.953 153 D HN 0.431 nan 8.370 nan 0.000 0.478 154 D N -0.335 120.077 120.400 0.018 0.000 2.117 154 D HA -0.109 4.578 4.640 0.078 0.000 0.198 154 D C 1.752 178.119 176.300 0.111 0.000 0.982 154 D CA 0.332 54.384 54.000 0.086 0.000 0.828 154 D CB -0.422 40.492 40.800 0.190 0.000 0.967 154 D HN 0.184 nan 8.370 nan 0.000 0.464 155 F N 1.761 121.711 119.950 -0.001 0.000 2.102 155 F HA -0.111 4.463 4.527 0.078 0.000 0.298 155 F C 2.192 177.851 175.800 -0.235 0.000 1.105 155 F CA 1.602 59.487 58.000 -0.191 0.000 1.239 155 F CB -0.371 38.613 39.000 -0.027 0.000 0.991 155 F HN -0.057 nan 8.300 nan 0.000 0.474 156 A N 0.552 123.290 122.820 -0.136 0.000 1.940 156 A HA -0.137 4.230 4.320 0.078 0.000 0.219 156 A C 2.398 179.753 177.584 -0.381 0.000 1.176 156 A CA 1.983 53.859 52.037 -0.268 0.000 0.631 156 A CB -1.612 17.358 19.000 -0.050 0.000 0.814 156 A HN 0.561 nan 8.150 nan 0.000 0.446 157 A N -1.337 121.310 122.820 -0.288 0.000 1.898 157 A HA -0.053 4.314 4.320 0.078 0.000 0.216 157 A C 2.134 179.489 177.584 -0.382 0.000 1.181 157 A CA 1.659 53.532 52.037 -0.273 0.000 0.620 157 A CB -0.783 18.095 19.000 -0.203 0.000 0.819 157 A HN 0.832 nan 8.150 nan 0.000 0.442 158 Y N 0.818 120.713 120.300 -0.674 0.000 2.114 158 Y HA -0.058 4.538 4.550 0.078 0.000 0.284 158 Y C 2.570 177.978 175.900 -0.821 0.000 1.143 158 Y CA 1.192 58.842 58.100 -0.750 0.000 1.135 158 Y CB -0.899 36.779 38.460 -1.303 0.000 0.980 158 Y HN 0.285 nan 8.280 nan 0.000 0.499 159 A N 0.495 122.428 122.820 -1.479 0.000 1.892 159 A HA -0.319 4.048 4.320 0.078 0.000 0.218 159 A C 2.283 178.806 177.584 -1.768 0.000 1.188 159 A CA 2.205 53.179 52.037 -1.771 0.000 0.631 159 A CB -1.149 16.902 19.000 -1.581 0.000 0.822 159 A HN 0.703 nan 8.150 nan 0.000 0.447 160 E N -1.021 118.563 120.200 -1.027 0.000 2.077 160 E HA -0.166 4.231 4.350 0.078 0.000 0.193 160 E C 1.983 178.239 176.600 -0.572 0.000 0.989 160 E CA 1.697 57.713 56.400 -0.639 0.000 0.800 160 E CB -0.227 29.348 29.700 -0.208 0.000 0.746 160 E HN 0.550 nan 8.360 nan 0.000 0.452 161 T N -0.095 114.195 114.554 -0.441 0.000 2.720 161 T HA -0.186 4.211 4.350 0.078 0.000 0.268 161 T C 1.924 176.366 174.700 -0.430 0.000 1.037 161 T CA 1.302 63.237 62.100 -0.275 0.000 1.144 161 T CB -0.403 68.468 68.868 0.005 0.000 0.864 161 T HN 0.363 nan 8.240 nan 0.000 0.444 162 C N 0.812 119.747 119.300 -0.609 0.000 2.446 162 C HA 0.014 4.521 4.460 0.078 0.000 0.277 162 C C 2.357 177.124 174.990 -0.372 0.000 1.275 162 C CA -0.056 58.708 59.018 -0.423 0.000 1.727 162 C CB -1.532 25.896 27.740 -0.520 0.000 2.010 162 C HN 0.473 nan 8.230 nan 0.000 0.486 163 F N 1.594 121.118 119.950 -0.710 0.000 2.095 163 F HA -0.125 4.448 4.527 0.078 0.000 0.298 163 F C 2.587 178.082 175.800 -0.508 0.000 1.104 163 F CA 1.248 58.822 58.000 -0.710 0.000 1.232 163 F CB -1.238 37.106 39.000 -1.094 0.000 0.987 163 F HN 0.201 nan 8.300 nan 0.000 0.475 164 R N 0.128 120.395 120.500 -0.388 0.000 2.073 164 R HA -0.140 4.247 4.340 0.078 0.000 0.234 164 R C 2.053 178.258 176.300 -0.159 0.000 1.134 164 R CA 1.481 57.481 56.100 -0.167 0.000 0.952 164 R CB -0.413 29.828 30.300 -0.099 0.000 0.850 164 R HN 0.276 nan 8.270 nan 0.000 0.433 165 E N -0.559 119.411 120.200 -0.382 0.000 2.158 165 E HA -0.068 4.329 4.350 0.078 0.000 0.191 165 E C 1.318 177.630 176.600 -0.480 0.000 0.982 165 E CA 1.060 57.095 56.400 -0.608 0.000 0.823 165 E CB 0.166 29.166 29.700 -1.167 0.000 0.766 165 E HN 0.295 nan 8.360 nan 0.000 0.468 166 F N -1.209 118.840 119.950 0.166 0.000 2.784 166 F HA 0.326 4.901 4.527 0.079 0.000 0.323 166 F C 2.040 178.002 175.800 0.269 0.000 1.085 166 F CA 0.037 58.167 58.000 0.218 0.000 1.196 166 F CB -0.253 38.916 39.000 0.283 0.000 1.053 166 F HN -0.038 nan 8.300 nan 0.000 0.578 167 G N 0.723 109.816 108.800 0.488 0.000 2.534 167 G HA2 -0.194 3.813 3.960 0.078 0.000 0.217 167 G HA3 -0.194 3.813 3.960 0.078 0.000 0.217 167 G C 1.388 176.460 174.900 0.287 0.000 1.128 167 G CA 1.042 46.456 45.100 0.523 0.000 0.784 167 G HN 0.427 nan 8.290 nan 0.000 0.542 168 D N 0.546 121.070 120.400 0.207 0.000 2.218 168 D HA -0.094 4.593 4.640 0.078 0.000 0.204 168 D C 2.159 178.521 176.300 0.103 0.000 0.976 168 D CA 0.676 54.757 54.000 0.134 0.000 0.853 168 D CB -0.146 40.719 40.800 0.107 0.000 0.939 168 D HN 0.355 nan 8.370 nan 0.000 0.481 169 R N -0.284 120.284 120.500 0.114 0.000 2.276 169 R HA 0.234 4.621 4.340 0.078 0.000 0.195 169 R C 0.273 176.562 176.300 -0.019 0.000 0.908 169 R CA -0.074 56.061 56.100 0.059 0.000 1.083 169 R CB 1.036 31.383 30.300 0.078 0.000 1.182 169 R HN -0.055 nan 8.270 nan 0.000 0.608 170 V N 2.883 122.759 119.914 -0.063 0.000 2.432 170 V HA 0.102 4.269 4.120 0.078 0.000 0.271 170 V C 0.484 176.324 176.094 -0.423 0.000 1.046 170 V CA 0.246 62.320 62.300 -0.378 0.000 0.945 170 V CB 1.465 32.805 31.823 -0.805 0.000 0.992 170 V HN 0.150 nan 8.190 nan 0.000 0.471 171 K N 2.632 122.735 120.400 -0.495 0.000 2.374 171 K HA 0.245 4.612 4.320 0.078 0.000 0.202 171 K C -0.151 175.918 176.600 -0.885 0.000 1.040 171 K CA 0.129 56.097 56.287 -0.531 0.000 1.085 171 K CB 0.368 32.564 32.500 -0.507 0.000 0.873 171 K HN 0.776 nan 8.250 nan 0.000 0.539 172 H N -0.993 117.604 119.070 -0.788 0.000 2.906 172 H HA 0.316 4.920 4.556 0.080 0.000 0.324 172 H C -1.306 173.588 175.328 -0.723 0.000 0.973 172 H CA -0.528 55.065 56.048 -0.757 0.000 1.321 172 H CB 0.590 29.505 29.762 -1.411 0.000 1.535 172 H HN -0.063 nan 8.280 nan 0.000 0.518 173 W N 3.821 125.049 121.300 -0.121 0.000 2.632 173 W HA 0.593 5.300 4.660 0.078 0.000 0.328 173 W C -0.641 175.850 176.519 -0.047 0.000 1.044 173 W CA -0.714 56.551 57.345 -0.132 0.000 1.225 173 W CB 1.362 30.704 29.460 -0.197 0.000 1.396 173 W HN 0.366 nan 8.180 nan 0.000 0.499 174 I N 2.973 123.646 120.570 0.173 0.000 2.382 174 I HA 0.134 4.351 4.170 0.078 0.000 0.285 174 I C 1.317 177.475 176.117 0.067 0.000 1.007 174 I CA -0.257 61.069 61.300 0.042 0.000 1.142 174 I CB 1.779 39.762 38.000 -0.028 0.000 1.289 174 I HN 0.623 nan 8.210 nan 0.000 0.453 175 T N 4.441 119.032 114.554 0.062 0.000 2.770 175 T HA 0.136 4.533 4.350 0.078 0.000 0.263 175 T C 0.601 175.432 174.700 0.219 0.000 1.039 175 T CA 0.822 63.059 62.100 0.227 0.000 1.142 175 T CB 0.012 69.075 68.868 0.324 0.000 0.868 175 T HN 0.315 nan 8.240 nan 0.000 0.435 176 L N 1.274 122.484 121.223 -0.021 0.000 2.401 176 L HA 0.486 4.873 4.340 0.078 0.000 0.266 176 L C -0.648 176.058 176.870 -0.272 0.000 0.991 176 L CA -0.949 53.825 54.840 -0.109 0.000 0.818 176 L CB 2.197 44.054 42.059 -0.337 0.000 1.321 176 L HN 0.187 nan 8.230 nan 0.000 0.413 177 N N 3.070 121.621 118.700 -0.249 0.000 2.437 177 N HA 0.134 4.921 4.740 0.078 0.000 0.259 177 N C -0.703 174.641 175.510 -0.278 0.000 0.983 177 N CA -0.160 52.647 53.050 -0.405 0.000 0.937 177 N CB 0.959 38.924 38.487 -0.871 0.000 1.122 177 N HN 0.717 nan 8.380 nan 0.000 0.499 178 E N 1.738 121.739 120.200 -0.332 0.000 2.240 178 E HA -0.148 4.249 4.350 0.078 0.000 0.194 178 E C -1.769 174.540 176.600 -0.485 0.000 1.385 178 E CA -0.132 56.117 56.400 -0.253 0.000 0.686 178 E CB -0.515 29.177 29.700 -0.012 0.000 1.125 178 E HN 0.650 nan 8.360 nan 0.000 0.359 179 P HA -0.241 nan 4.420 nan 0.000 0.218 179 P C 1.215 178.006 177.300 -0.848 0.000 1.148 179 P CA 1.743 64.025 63.100 -1.362 0.000 0.822 179 P CB 0.054 30.699 31.700 -1.758 0.000 0.784 180 H N 0.269 118.892 119.070 -0.746 0.000 2.293 180 H HA -0.094 4.509 4.556 0.078 0.000 0.300 180 H C 1.726 176.978 175.328 -0.127 0.000 1.082 180 H CA 2.837 58.779 56.048 -0.177 0.000 1.308 180 H CB -0.775 29.058 29.762 0.119 0.000 1.375 180 H HN -0.069 nan 8.280 nan 0.000 0.495 181 T N 0.122 114.544 114.554 -0.220 0.000 2.684 181 T HA -0.166 4.231 4.350 0.078 0.000 0.267 181 T C 2.237 176.646 174.700 -0.485 0.000 1.036 181 T CA 1.592 63.495 62.100 -0.328 0.000 1.148 181 T CB -0.559 68.154 68.868 -0.259 0.000 0.863 181 T HN 0.166 nan 8.240 nan 0.000 0.436 182 V N 1.809 121.371 119.914 -0.587 0.000 2.287 182 V HA -0.201 3.966 4.120 0.078 0.000 0.248 182 V C 2.918 178.932 176.094 -0.134 0.000 1.053 182 V CA 1.811 63.802 62.300 -0.516 0.000 1.027 182 V CB -1.292 30.269 31.823 -0.436 0.000 0.646 182 V HN 0.548 nan 8.190 nan 0.000 0.447 183 A N -0.193 122.577 122.820 -0.083 0.000 1.933 183 A HA -0.149 4.218 4.320 0.078 0.000 0.218 183 A C 2.119 179.739 177.584 0.061 0.000 1.175 183 A CA 1.867 53.925 52.037 0.034 0.000 0.628 183 A CB -0.403 18.575 19.000 -0.037 0.000 0.814 183 A HN 0.428 nan 8.150 nan 0.000 0.444 184 I N -0.727 119.791 120.570 -0.086 0.000 2.296 184 I HA -0.089 4.128 4.170 0.078 0.000 0.242 184 I C 2.409 178.463 176.117 -0.105 0.000 1.087 184 I CA 0.946 62.192 61.300 -0.089 0.000 1.393 184 I CB -1.612 36.271 38.000 -0.195 0.000 1.093 184 I HN 0.300 nan 8.210 nan 0.000 0.421 185 Q N 0.691 120.372 119.800 -0.197 0.000 2.167 185 Q HA -0.027 4.360 4.340 0.078 0.000 0.202 185 Q C 2.198 178.036 176.000 -0.270 0.000 0.970 185 Q CA 1.473 57.140 55.803 -0.226 0.000 0.855 185 Q CB -0.579 27.980 28.738 -0.299 0.000 0.911 185 Q HN 0.568 nan 8.270 nan 0.000 0.438 186 G N -1.762 106.861 108.800 -0.294 0.000 2.539 186 G HA2 -0.086 3.921 3.960 0.078 0.000 0.215 186 G HA3 -0.086 3.921 3.960 0.078 0.000 0.215 186 G C 0.608 175.081 174.900 -0.712 0.000 1.141 186 G CA 0.167 44.940 45.100 -0.545 0.000 0.806 186 G HN 0.341 nan 8.290 nan 0.000 0.533 187 Y N -1.609 118.616 120.300 -0.124 0.000 2.590 187 Y HA 0.269 4.865 4.550 0.078 0.000 0.263 187 Y C 1.539 177.412 175.900 -0.044 0.000 1.069 187 Y CA -0.186 57.872 58.100 -0.070 0.000 1.242 187 Y CB 0.836 39.262 38.460 -0.058 0.000 1.357 187 Y HN 0.131 nan 8.280 nan 0.000 0.556 188 D N 0.095 120.535 120.400 0.065 0.000 2.995 188 D HA 0.145 4.832 4.640 0.078 0.000 0.289 188 D C 2.089 178.434 176.300 0.075 0.000 1.116 188 D CA 1.247 55.284 54.000 0.061 0.000 0.994 188 D CB 0.094 40.913 40.800 0.032 0.000 1.209 188 D HN 0.054 nan 8.370 nan 0.000 0.458 189 A N -0.086 122.725 122.820 -0.016 0.000 2.021 189 A HA 0.368 4.735 4.320 0.078 0.000 0.216 189 A C 1.774 179.289 177.584 -0.115 0.000 1.163 189 A CA 1.383 53.325 52.037 -0.158 0.000 0.676 189 A CB -0.699 18.221 19.000 -0.134 0.000 0.818 189 A HN 0.571 nan 8.150 nan 0.000 0.453 190 G N -0.819 107.947 108.800 -0.056 0.000 2.249 190 G HA2 -0.255 3.752 3.960 0.078 0.000 0.273 190 G HA3 -0.255 3.752 3.960 0.078 0.000 0.273 190 G C 0.558 175.506 174.900 0.079 0.000 1.036 190 G CA 0.677 45.777 45.100 0.000 0.000 0.824 190 G HN 0.494 nan 8.290 nan 0.000 0.504 191 L N -1.469 119.733 121.223 -0.036 0.000 2.554 191 L HA 0.282 4.669 4.340 0.078 0.000 0.225 191 L C 1.517 178.400 176.870 0.022 0.000 1.104 191 L CA 0.532 55.371 54.840 -0.003 0.000 0.866 191 L CB 0.139 42.164 42.059 -0.056 0.000 1.047 191 L HN 0.393 nan 8.230 nan 0.000 0.468 192 Q N -0.550 119.061 119.800 -0.315 0.000 2.458 192 Q HA 0.616 5.003 4.340 0.078 0.000 0.282 192 Q C -0.406 174.686 176.000 -1.513 0.000 1.106 192 Q CA -0.848 54.519 55.803 -0.727 0.000 0.814 192 Q CB 2.367 30.888 28.738 -0.361 0.000 1.425 192 Q HN 0.133 nan 8.270 nan 0.000 0.437 193 A N 1.980 123.370 122.820 -2.383 0.000 2.540 193 A HA 0.145 4.512 4.320 0.078 0.000 0.239 193 A C -1.755 175.249 177.584 -0.966 0.000 1.061 193 A CA -0.635 50.264 52.037 -1.897 0.000 0.758 193 A CB -0.270 17.521 19.000 -2.014 0.000 0.991 193 A HN 0.499 nan 8.150 nan 0.000 0.502 194 P HA 0.153 nan 4.420 nan 0.000 0.257 194 P C 0.697 177.758 177.300 -0.399 0.000 1.325 194 P CA 0.863 63.645 63.100 -0.530 0.000 0.850 194 P CB 0.022 31.543 31.700 -0.299 0.000 1.324 195 G N 0.611 109.103 108.800 -0.513 0.000 2.212 195 G HA2 -0.258 3.749 3.960 0.078 0.000 0.255 195 G HA3 -0.258 3.749 3.960 0.078 0.000 0.255 195 G C -0.089 174.765 174.900 -0.078 0.000 1.062 195 G CA -0.453 44.575 45.100 -0.120 0.000 0.815 195 G HN 0.365 nan 8.290 nan 0.000 0.497 196 R N -0.790 119.571 120.500 -0.232 0.000 2.540 196 R HA 0.815 5.202 4.340 0.078 0.000 0.287 196 R C 0.578 176.847 176.300 -0.052 0.000 0.980 196 R CA 0.143 56.171 56.100 -0.120 0.000 0.966 196 R CB 1.578 31.800 30.300 -0.130 0.000 1.106 196 R HN 1.004 nan 8.270 nan 0.000 0.480 197 c N -1.644 116.961 118.600 0.008 0.000 3.165 197 c HA 0.333 4.950 4.570 0.078 0.000 0.345 197 c C -0.622 173.483 174.090 0.026 0.000 1.367 197 c CA -1.094 55.261 56.329 0.043 0.000 1.205 197 c CB 1.107 43.668 42.510 0.084 0.000 1.447 197 c HN 0.720 nan 8.230 nan 0.000 0.451 198 S N 0.832 116.545 115.700 0.022 0.000 2.466 198 S HA 0.160 4.677 4.470 0.078 0.000 0.286 198 S C 1.034 175.598 174.600 -0.061 0.000 1.221 198 S CA 0.393 58.581 58.200 -0.020 0.000 1.091 198 S CB 1.261 64.439 63.200 -0.036 0.000 0.956 198 S HN 1.245 nan 8.310 nan 0.000 0.501 199 V N 5.863 125.745 119.914 -0.054 0.000 2.568 199 V HA -0.146 4.021 4.120 0.078 0.000 0.253 199 V C 1.639 177.673 176.094 -0.101 0.000 1.072 199 V CA 1.774 64.028 62.300 -0.076 0.000 1.084 199 V CB -0.404 31.393 31.823 -0.043 0.000 0.676 199 V HN 0.883 nan 8.190 nan 0.000 0.469 200 L N -1.136 120.032 121.223 -0.091 0.000 2.275 200 L HA -0.104 4.283 4.340 0.078 0.000 0.215 200 L C 2.189 178.964 176.870 -0.159 0.000 1.119 200 L CA 1.185 55.966 54.840 -0.099 0.000 0.790 200 L CB -0.215 41.801 42.059 -0.072 0.000 0.919 200 L HN 0.338 nan 8.230 nan 0.000 0.443 201 L N -1.861 119.220 121.223 -0.237 0.000 2.253 201 L HA 0.015 4.402 4.340 0.078 0.000 0.205 201 L C 0.055 176.487 176.870 -0.730 0.000 1.078 201 L CA 0.388 54.956 54.840 -0.453 0.000 0.805 201 L CB 0.156 41.910 42.059 -0.508 0.000 0.963 201 L HN 0.259 nan 8.230 nan 0.000 0.459 202 H N -1.347 117.577 119.070 -0.244 0.000 3.013 202 H HA 0.239 4.842 4.556 0.078 0.000 0.326 202 H C 0.333 175.339 175.328 -0.538 0.000 0.973 202 H CA -0.440 55.310 56.048 -0.497 0.000 1.369 202 H CB 1.298 30.545 29.762 -0.859 0.000 1.598 202 H HN -0.098 nan 8.280 nan 0.000 0.518 203 L N 1.871 122.947 121.223 -0.244 0.000 2.265 203 L HA -0.186 4.201 4.340 0.078 0.000 0.215 203 L C 1.588 178.421 176.870 -0.062 0.000 1.117 203 L CA 1.220 55.995 54.840 -0.108 0.000 0.782 203 L CB -0.348 41.709 42.059 -0.004 0.000 0.914 203 L HN 0.755 nan 8.230 nan 0.000 0.441 204 Y N -2.203 118.148 120.300 0.085 0.000 2.509 204 Y HA 0.061 4.658 4.550 0.078 0.000 0.293 204 Y C 1.448 177.379 175.900 0.051 0.000 1.133 204 Y CA -1.185 56.952 58.100 0.060 0.000 1.283 204 Y CB -1.429 37.053 38.460 0.036 0.000 1.001 204 Y HN 0.006 nan 8.280 nan 0.000 0.555 205 c N 2.652 121.244 118.600 -0.013 0.000 2.605 205 c HA 0.124 4.741 4.570 0.078 0.000 0.404 205 c C 1.890 176.006 174.090 0.043 0.000 1.284 205 c CA -0.599 55.764 56.329 0.056 0.000 2.199 205 c CB 0.966 43.465 42.510 -0.019 0.000 2.647 205 c HN 0.598 nan 8.230 nan 0.000 0.604 206 K N 0.810 121.243 120.400 0.055 0.000 2.284 206 K HA 0.349 4.716 4.320 0.078 0.000 0.198 206 K C 0.501 177.117 176.600 0.026 0.000 1.048 206 K CA 0.926 57.239 56.287 0.043 0.000 0.987 206 K CB 0.196 32.725 32.500 0.049 0.000 0.800 206 K HN 0.884 nan 8.250 nan 0.000 0.486 207 A N -0.829 122.004 122.820 0.022 0.000 2.586 207 A HA 0.638 5.005 4.320 0.078 0.000 0.290 207 A C -0.617 176.980 177.584 0.022 0.000 1.086 207 A CA -0.310 51.739 52.037 0.020 0.000 0.665 207 A CB 0.941 19.955 19.000 0.024 0.000 1.279 207 A HN 0.334 nan 8.150 nan 0.000 0.423 208 G N -0.181 108.638 108.800 0.032 0.000 2.334 208 G HA2 0.442 4.449 3.960 0.078 0.000 0.315 208 G HA3 0.442 4.449 3.960 0.078 0.000 0.315 208 G C -1.637 173.291 174.900 0.045 0.000 1.284 208 G CA -0.026 45.105 45.100 0.052 0.000 0.985 208 G HN 1.793 nan 8.290 nan 0.000 0.504 209 N N -0.653 118.084 118.700 0.062 0.000 2.752 209 N HA 0.367 5.154 4.740 0.078 0.000 0.268 209 N C 0.684 176.230 175.510 0.060 0.000 1.190 209 N CA 0.182 53.261 53.050 0.048 0.000 0.897 209 N CB 1.551 40.064 38.487 0.043 0.000 1.515 209 N HN 0.428 nan 8.380 nan 0.000 0.567 210 S N 0.858 116.588 115.700 0.049 0.000 2.481 210 S HA 0.016 4.533 4.470 0.078 0.000 0.231 210 S C 1.619 176.247 174.600 0.047 0.000 0.996 210 S CA 1.088 59.319 58.200 0.052 0.000 0.942 210 S CB 0.198 63.429 63.200 0.052 0.000 0.768 210 S HN 0.688 nan 8.310 nan 0.000 0.520 211 G N 1.255 110.092 108.800 0.061 0.000 2.539 211 G HA2 -0.037 3.970 3.960 0.078 0.000 0.215 211 G HA3 -0.037 3.970 3.960 0.078 0.000 0.215 211 G C 1.442 176.451 174.900 0.182 0.000 1.141 211 G CA 1.154 46.317 45.100 0.105 0.000 0.806 211 G HN 0.618 nan 8.290 nan 0.000 0.533 212 T N -2.358 112.270 114.554 0.123 0.000 3.056 212 T HA 0.186 4.583 4.350 0.078 0.000 0.243 212 T C 1.838 176.599 174.700 0.101 0.000 0.995 212 T CA 0.575 62.757 62.100 0.136 0.000 1.091 212 T CB 0.047 68.951 68.868 0.059 0.000 0.990 212 T HN 0.232 nan 8.240 nan 0.000 0.464 213 E N 2.260 122.491 120.200 0.052 0.000 2.106 213 E HA -0.018 4.379 4.350 0.078 0.000 0.192 213 E C -0.716 175.823 176.600 -0.102 0.000 0.984 213 E CA 1.185 57.588 56.400 0.005 0.000 0.806 213 E CB -0.997 28.768 29.700 0.108 0.000 0.750 213 E HN 0.456 nan 8.360 nan 0.000 0.458 214 P HA -0.174 nan 4.420 nan 0.000 0.216 214 P C 0.723 177.947 177.300 -0.126 0.000 1.150 214 P CA 1.260 64.265 63.100 -0.157 0.000 0.837 214 P CB -0.097 31.463 31.700 -0.233 0.000 0.786 215 Y N -1.184 119.196 120.300 0.134 0.000 2.242 215 Y HA -0.117 4.480 4.550 0.078 0.000 0.291 215 Y C 2.384 178.267 175.900 -0.029 0.000 1.137 215 Y CA 0.637 58.807 58.100 0.116 0.000 1.181 215 Y CB -1.610 36.803 38.460 -0.078 0.000 0.989 215 Y HN -0.235 nan 8.280 nan 0.000 0.527 216 V N -0.975 118.926 119.914 -0.021 0.000 2.261 216 V HA -0.257 3.910 4.120 0.078 0.000 0.246 216 V C 2.282 178.169 176.094 -0.345 0.000 1.047 216 V CA 1.635 63.799 62.300 -0.228 0.000 1.015 216 V CB -0.954 30.753 31.823 -0.194 0.000 0.642 216 V HN 0.225 nan 8.190 nan 0.000 0.446 217 V N 0.451 120.190 119.914 -0.293 0.000 2.255 217 V HA -0.316 3.851 4.120 0.078 0.000 0.247 217 V C 2.753 178.738 176.094 -0.182 0.000 1.051 217 V CA 2.260 64.347 62.300 -0.355 0.000 1.018 217 V CB -1.277 30.133 31.823 -0.687 0.000 0.641 217 V HN 0.569 nan 8.190 nan 0.000 0.445 218 A N -1.244 121.571 122.820 -0.008 0.000 1.908 218 A HA -0.316 4.051 4.320 0.078 0.000 0.218 218 A C 2.236 179.947 177.584 0.212 0.000 1.181 218 A CA 2.176 54.286 52.037 0.122 0.000 0.627 218 A CB -0.982 17.794 19.000 -0.372 0.000 0.818 218 A HN 0.721 nan 8.150 nan 0.000 0.445 219 H N -1.169 117.932 119.070 0.051 0.000 2.319 219 H HA -0.191 4.411 4.556 0.078 0.000 0.299 219 H C 2.062 177.496 175.328 0.177 0.000 1.092 219 H CA 2.223 58.324 56.048 0.087 0.000 1.302 219 H CB -0.129 29.578 29.762 -0.092 0.000 1.373 219 H HN 0.801 nan 8.280 nan 0.000 0.497 220 H N -1.149 118.009 119.070 0.147 0.000 2.387 220 H HA -0.121 4.482 4.556 0.078 0.000 0.299 220 H C 2.314 177.733 175.328 0.153 0.000 1.090 220 H CA 0.888 57.001 56.048 0.108 0.000 1.332 220 H CB -0.116 29.705 29.762 0.098 0.000 1.386 220 H HN 0.301 nan 8.280 nan 0.000 0.516 221 F N 0.658 120.722 119.950 0.189 0.000 2.095 221 F HA -0.245 4.330 4.527 0.080 0.000 0.298 221 F C 2.359 178.247 175.800 0.146 0.000 1.104 221 F CA 0.940 58.920 58.000 -0.034 0.000 1.232 221 F CB -0.177 38.705 39.000 -0.198 0.000 0.987 221 F HN 0.076 nan 8.300 nan 0.000 0.475 222 I N -0.091 120.728 120.570 0.417 0.000 2.142 222 I HA -0.328 3.889 4.170 0.078 0.000 0.240 222 I C 2.224 178.532 176.117 0.318 0.000 1.078 222 I CA 1.295 62.800 61.300 0.341 0.000 1.343 222 I CB -0.555 37.491 38.000 0.076 0.000 1.046 222 I HN 0.109 nan 8.210 nan 0.000 0.405 223 L N 0.439 121.794 121.223 0.221 0.000 2.046 223 L HA -0.219 4.168 4.340 0.078 0.000 0.208 223 L C 2.865 179.868 176.870 0.222 0.000 1.077 223 L CA 1.342 56.296 54.840 0.190 0.000 0.747 223 L CB -0.855 41.285 42.059 0.135 0.000 0.896 223 L HN 0.260 nan 8.230 nan 0.000 0.432 224 A N -0.708 122.269 122.820 0.262 0.000 1.883 224 A HA -0.297 4.070 4.320 0.078 0.000 0.217 224 A C 2.325 180.092 177.584 0.305 0.000 1.186 224 A CA 1.914 54.121 52.037 0.284 0.000 0.624 224 A CB -1.014 18.138 19.000 0.253 0.000 0.822 224 A HN 0.538 nan 8.150 nan 0.000 0.444 225 H N 0.128 119.317 119.070 0.198 0.000 2.319 225 H HA -0.116 4.487 4.556 0.079 0.000 0.299 225 H C 2.266 177.690 175.328 0.161 0.000 1.092 225 H CA 2.005 58.154 56.048 0.169 0.000 1.302 225 H CB -0.292 29.520 29.762 0.084 0.000 1.373 225 H HN 0.396 nan 8.280 nan 0.000 0.497 226 A N 1.139 124.103 122.820 0.239 0.000 1.933 226 A HA -0.055 4.312 4.320 0.078 0.000 0.218 226 A C 2.737 180.345 177.584 0.040 0.000 1.175 226 A CA 1.752 53.876 52.037 0.145 0.000 0.628 226 A CB -0.996 18.121 19.000 0.195 0.000 0.814 226 A HN 0.599 nan 8.150 nan 0.000 0.444 227 A N -0.102 122.768 122.820 0.083 0.000 1.902 227 A HA 0.171 4.538 4.320 0.078 0.000 0.217 227 A C 2.508 180.114 177.584 0.037 0.000 1.181 227 A CA 2.056 54.132 52.037 0.065 0.000 0.623 227 A CB -1.008 18.047 19.000 0.091 0.000 0.818 227 A HN 1.036 nan 8.150 nan 0.000 0.443 228 A N -0.206 122.638 122.820 0.041 0.000 1.898 228 A HA 0.190 4.557 4.320 0.078 0.000 0.216 228 A C 2.489 180.084 177.584 0.019 0.000 1.181 228 A CA 2.007 54.053 52.037 0.016 0.000 0.620 228 A CB -0.961 18.039 19.000 -0.000 0.000 0.819 228 A HN 1.032 nan 8.150 nan 0.000 0.442 229 A N -0.752 121.965 122.820 -0.171 0.000 1.902 229 A HA -0.093 4.274 4.320 0.078 0.000 0.217 229 A C 2.473 180.036 177.584 -0.034 0.000 1.181 229 A CA 2.119 54.054 52.037 -0.169 0.000 0.623 229 A CB -0.960 17.863 19.000 -0.295 0.000 0.818 229 A HN 0.584 nan 8.150 nan 0.000 0.443 230 S N -0.254 115.434 115.700 -0.020 0.000 2.359 230 S HA -0.154 4.363 4.470 0.078 0.000 0.224 230 S C 1.917 176.525 174.600 0.013 0.000 1.035 230 S CA 1.575 59.774 58.200 -0.002 0.000 1.018 230 S CB -0.548 62.655 63.200 0.004 0.000 0.876 230 S HN 0.488 nan 8.310 nan 0.000 0.448 231 I N -0.078 120.527 120.570 0.058 0.000 2.179 231 I HA -0.153 4.064 4.170 0.078 0.000 0.242 231 I C 2.292 178.495 176.117 0.143 0.000 1.088 231 I CA 1.703 63.074 61.300 0.118 0.000 1.357 231 I CB -0.560 37.557 38.000 0.195 0.000 1.051 231 I HN 0.374 nan 8.210 nan 0.000 0.409 232 Y N 1.953 122.202 120.300 -0.086 0.000 2.097 232 Y HA -0.267 4.331 4.550 0.079 0.000 0.282 232 Y C 2.780 178.570 175.900 -0.183 0.000 1.152 232 Y CA 1.683 59.574 58.100 -0.348 0.000 1.136 232 Y CB -0.285 37.703 38.460 -0.786 0.000 0.975 232 Y HN -0.031 nan 8.280 nan 0.000 0.498 233 R N -1.172 119.253 120.500 -0.124 0.000 2.081 233 R HA -0.139 4.248 4.340 0.078 0.000 0.235 233 R C 2.154 178.343 176.300 -0.185 0.000 1.131 233 R CA 1.942 57.948 56.100 -0.157 0.000 0.960 233 R CB -0.719 29.547 30.300 -0.057 0.000 0.856 233 R HN 0.300 nan 8.270 nan 0.000 0.436 234 T N 0.705 115.174 114.554 -0.141 0.000 2.821 234 T HA -0.072 4.325 4.350 0.078 0.000 0.267 234 T C 1.526 176.092 174.700 -0.223 0.000 1.046 234 T CA 1.314 63.328 62.100 -0.143 0.000 1.139 234 T CB 0.078 68.890 68.868 -0.095 0.000 0.871 234 T HN 0.281 nan 8.240 nan 0.000 0.454 235 K N -1.358 118.854 120.400 -0.314 0.000 2.436 235 K HA 0.236 4.603 4.320 0.078 0.000 0.198 235 K C 1.079 177.176 176.600 -0.839 0.000 1.174 235 K CA 0.200 56.143 56.287 -0.572 0.000 0.951 235 K CB 0.587 32.666 32.500 -0.702 0.000 1.040 235 K HN 0.295 nan 8.250 nan 0.000 0.536 236 Y N 0.385 120.432 120.300 -0.422 0.000 2.585 236 Y HA 0.214 4.811 4.550 0.079 0.000 0.272 236 Y C 1.970 177.463 175.900 -0.678 0.000 1.119 236 Y CA -0.166 57.627 58.100 -0.512 0.000 1.255 236 Y CB 0.352 38.488 38.460 -0.541 0.000 1.284 236 Y HN -0.208 nan 8.280 nan 0.000 0.499 237 K N 1.108 121.005 120.400 -0.839 0.000 2.063 237 K HA -0.169 4.198 4.320 0.078 0.000 0.208 237 K C 2.173 178.604 176.600 -0.283 0.000 1.048 237 K CA 1.314 57.190 56.287 -0.684 0.000 0.928 237 K CB -0.206 31.965 32.500 -0.548 0.000 0.713 237 K HN 0.281 nan 8.250 nan 0.000 0.442 238 A N 0.493 123.171 122.820 -0.236 0.000 1.933 238 A HA -0.164 4.203 4.320 0.078 0.000 0.218 238 A C 2.140 179.660 177.584 -0.107 0.000 1.175 238 A CA 2.338 54.291 52.037 -0.141 0.000 0.628 238 A CB -0.892 18.030 19.000 -0.131 0.000 0.814 238 A HN 0.626 nan 8.150 nan 0.000 0.444 239 T N -3.352 111.132 114.554 -0.117 0.000 2.976 239 T HA 0.009 4.406 4.350 0.078 0.000 0.257 239 T C 1.818 176.502 174.700 -0.026 0.000 1.051 239 T CA 1.081 63.144 62.100 -0.063 0.000 1.141 239 T CB -0.193 68.641 68.868 -0.056 0.000 0.881 239 T HN 0.540 nan 8.240 nan 0.000 0.461 240 Q N 0.652 120.437 119.800 -0.026 0.000 2.302 240 Q HA 0.199 4.586 4.340 0.078 0.000 0.202 240 Q C 0.320 176.346 176.000 0.043 0.000 0.936 240 Q CA 0.130 55.961 55.803 0.046 0.000 0.886 240 Q CB -0.043 28.778 28.738 0.138 0.000 0.986 240 Q HN 0.491 nan 8.270 nan 0.000 0.487 241 N N -0.183 118.521 118.700 0.007 0.000 2.735 241 N HA -0.153 4.634 4.740 0.078 0.000 0.248 241 N C -0.473 175.059 175.510 0.038 0.000 1.083 241 N CA 0.716 53.776 53.050 0.017 0.000 0.703 241 N CB -0.865 37.623 38.487 0.002 0.000 1.005 241 N HN 0.427 nan 8.380 nan 0.000 0.550 242 G N -0.882 108.007 108.800 0.148 0.000 2.671 242 G HA2 0.707 4.714 3.960 0.078 0.000 0.275 242 G HA3 0.707 4.714 3.960 0.078 0.000 0.275 242 G C -0.605 174.393 174.900 0.163 0.000 1.368 242 G CA -0.299 44.851 45.100 0.083 0.000 1.044 242 G HN 0.333 nan 8.290 nan 0.000 0.543 243 Q N -1.653 118.178 119.800 0.053 0.000 2.418 243 Q HA 0.689 5.076 4.340 0.078 0.000 0.282 243 Q C -2.087 173.972 176.000 0.099 0.000 1.044 243 Q CA -0.908 54.973 55.803 0.131 0.000 0.813 243 Q CB 2.284 31.162 28.738 0.235 0.000 1.428 243 Q HN 0.312 nan 8.270 nan 0.000 0.402 244 L N 1.091 122.300 121.223 -0.023 0.000 2.341 244 L HA 0.909 5.296 4.340 0.078 0.000 0.278 244 L C -0.071 176.495 176.870 -0.508 0.000 1.005 244 L CA 0.140 54.876 54.840 -0.174 0.000 0.818 244 L CB 2.131 44.020 42.059 -0.284 0.000 1.259 244 L HN 0.944 nan 8.230 nan 0.000 0.418 245 G N 3.155 111.428 108.800 -0.877 0.000 2.975 245 G HA2 0.769 4.776 3.960 0.078 0.000 0.291 245 G HA3 0.769 4.776 3.960 0.078 0.000 0.291 245 G C -1.510 172.920 174.900 -0.782 0.000 1.334 245 G CA -0.442 43.810 45.100 -1.413 0.000 0.843 245 G HN 0.406 nan 8.290 nan 0.000 0.548 246 I N -0.036 120.031 120.570 -0.838 0.000 2.769 246 I HA 0.573 4.790 4.170 0.078 0.000 0.298 246 I C -0.248 175.404 176.117 -0.776 0.000 1.128 246 I CA -1.133 59.673 61.300 -0.823 0.000 1.031 246 I CB 2.514 39.759 38.000 -1.258 0.000 1.235 246 I HN 0.620 nan 8.210 nan 0.000 0.423 247 A N 5.580 128.034 122.820 -0.610 0.000 2.253 247 A HA 0.707 5.074 4.320 0.078 0.000 0.316 247 A C -1.127 176.174 177.584 -0.471 0.000 1.327 247 A CA -0.174 51.621 52.037 -0.404 0.000 0.917 247 A CB -0.121 18.726 19.000 -0.255 0.000 1.162 247 A HN 0.427 nan 8.150 nan 0.000 0.535 248 F N 2.504 122.400 119.950 -0.091 0.000 2.408 248 F HA 0.256 4.829 4.527 0.076 0.000 0.344 248 F C 0.726 176.510 175.800 -0.026 0.000 1.112 248 F CA -1.062 56.880 58.000 -0.097 0.000 1.096 248 F CB 1.348 40.339 39.000 -0.014 0.000 1.129 248 F HN 0.657 nan 8.300 nan 0.000 0.486 249 D N 2.516 123.008 120.400 0.152 0.000 2.348 249 D HA 0.299 4.986 4.640 0.078 0.000 0.253 249 D C -0.804 175.578 176.300 0.137 0.000 1.161 249 D CA -0.051 54.029 54.000 0.134 0.000 0.876 249 D CB 1.662 42.516 40.800 0.090 0.000 1.160 249 D HN 0.222 nan 8.370 nan 0.000 0.459 250 V N 3.321 123.339 119.914 0.175 0.000 2.509 250 V HA 0.160 4.327 4.120 0.078 0.000 0.289 250 V C 0.287 176.495 176.094 0.189 0.000 1.026 250 V CA -0.750 61.639 62.300 0.150 0.000 0.872 250 V CB 1.324 33.271 31.823 0.207 0.000 1.017 250 V HN 0.585 nan 8.190 nan 0.000 0.436 251 M N 3.911 123.468 119.600 -0.071 0.000 2.242 251 M HA 0.293 4.820 4.480 0.078 0.000 0.344 251 M C -0.127 175.942 176.300 -0.385 0.000 1.140 251 M CA 0.081 55.233 55.300 -0.246 0.000 1.160 251 M CB 1.234 33.436 32.600 -0.663 0.000 1.491 251 M HN 0.741 nan 8.290 nan 0.000 0.459 252 W N 3.102 124.231 121.300 -0.286 0.000 2.313 252 W HA 0.381 5.082 4.660 0.069 0.000 0.328 252 W C -2.027 174.199 176.519 -0.490 0.000 1.197 252 W CA -0.436 56.714 57.345 -0.325 0.000 1.235 252 W CB 0.783 30.201 29.460 -0.070 0.000 1.158 252 W HN 0.402 nan 8.180 nan 0.000 0.578 253 F N 3.296 122.650 119.950 -0.993 0.000 2.493 253 F HA 0.296 4.873 4.527 0.084 0.000 0.329 253 F C 0.048 175.371 175.800 -0.794 0.000 1.126 253 F CA -0.916 56.699 58.000 -0.643 0.000 0.937 253 F CB 1.600 40.343 39.000 -0.428 0.000 1.146 253 F HN 0.201 nan 8.300 nan 0.000 0.442 254 E N 4.240 124.370 120.200 -0.118 0.000 2.207 254 E HA 0.384 4.781 4.350 0.078 0.000 0.270 254 E C -2.548 174.149 176.600 0.161 0.000 0.927 254 E CA -2.332 54.089 56.400 0.035 0.000 0.799 254 E CB 1.798 31.591 29.700 0.154 0.000 1.172 254 E HN 0.185 nan 8.360 nan 0.000 0.404 255 P HA -0.040 nan 4.420 nan 0.000 0.268 255 P C 0.051 177.460 177.300 0.180 0.000 1.204 255 P CA 0.268 63.449 63.100 0.134 0.000 0.768 255 P CB 0.750 32.507 31.700 0.095 0.000 0.842 256 M N 1.611 121.281 119.600 0.117 0.000 2.476 256 M HA -0.056 4.471 4.480 0.078 0.000 0.262 256 M C 0.259 176.516 176.300 -0.072 0.000 1.079 256 M CA 1.152 56.446 55.300 -0.009 0.000 1.104 256 M CB 0.058 32.650 32.600 -0.012 0.000 1.409 256 M HN 0.516 nan 8.290 nan 0.000 0.467 257 S N -1.783 113.914 115.700 -0.004 0.000 2.596 257 S HA 0.224 4.741 4.470 0.078 0.000 0.270 257 S C -0.728 173.884 174.600 0.021 0.000 1.155 257 S CA -1.055 57.140 58.200 -0.009 0.000 0.827 257 S CB 0.974 64.165 63.200 -0.016 0.000 1.130 257 S HN 0.339 nan 8.310 nan 0.000 0.467 258 N N 1.608 120.319 118.700 0.019 0.000 3.245 258 N HA 0.235 5.022 4.740 0.078 0.000 0.296 258 N C -0.491 175.031 175.510 0.020 0.000 1.254 258 N CA 0.034 53.102 53.050 0.030 0.000 1.190 258 N CB -0.100 38.406 38.487 0.032 0.000 1.460 258 N HN 0.787 nan 8.380 nan 0.000 0.538 259 T N -2.338 112.227 114.554 0.018 0.000 2.900 259 T HA 0.155 4.552 4.350 0.078 0.000 0.295 259 T C 1.536 176.243 174.700 0.010 0.000 1.044 259 T CA -0.676 61.428 62.100 0.008 0.000 0.995 259 T CB 1.570 70.435 68.868 -0.005 0.000 1.072 259 T HN 0.185 nan 8.240 nan 0.000 0.473 260 T N 0.668 115.224 114.554 0.004 0.000 2.803 260 T HA -0.107 4.290 4.350 0.078 0.000 0.269 260 T C 1.923 176.622 174.700 -0.001 0.000 1.052 260 T CA 0.594 62.697 62.100 0.007 0.000 1.136 260 T CB -0.566 68.303 68.868 0.000 0.000 0.864 260 T HN 0.559 nan 8.240 nan 0.000 0.467 261 I N 2.320 122.874 120.570 -0.027 0.000 2.208 261 I HA -0.142 4.074 4.170 0.078 0.000 0.245 261 I C 2.045 178.170 176.117 0.013 0.000 1.097 261 I CA 1.652 62.919 61.300 -0.055 0.000 1.363 261 I CB -0.962 36.951 38.000 -0.144 0.000 1.051 261 I HN 0.264 nan 8.210 nan 0.000 0.413 262 D N 0.459 120.873 120.400 0.024 0.000 2.213 262 D HA -0.002 4.685 4.640 0.078 0.000 0.205 262 D C 2.332 178.660 176.300 0.046 0.000 0.961 262 D CA 0.639 54.667 54.000 0.047 0.000 0.853 262 D CB 0.025 40.849 40.800 0.041 0.000 0.967 262 D HN 0.279 nan 8.370 nan 0.000 0.496 263 I N 1.334 121.931 120.570 0.045 0.000 2.127 263 I HA -0.241 3.976 4.170 0.078 0.000 0.241 263 I C 2.248 178.396 176.117 0.051 0.000 1.075 263 I CA 1.099 62.431 61.300 0.053 0.000 1.334 263 I CB -0.095 37.938 38.000 0.056 0.000 1.040 263 I HN -0.092 nan 8.210 nan 0.000 0.405 264 E N 0.871 121.100 120.200 0.049 0.000 2.110 264 E HA -0.207 4.190 4.350 0.078 0.000 0.193 264 E C 2.299 178.934 176.600 0.059 0.000 0.988 264 E CA 1.434 57.868 56.400 0.058 0.000 0.804 264 E CB -0.376 29.356 29.700 0.052 0.000 0.745 264 E HN 0.536 nan 8.360 nan 0.000 0.458 265 A N 1.564 124.418 122.820 0.057 0.000 1.877 265 A HA -0.085 4.282 4.320 0.078 0.000 0.216 265 A C 2.457 180.013 177.584 -0.047 0.000 1.186 265 A CA 2.122 54.172 52.037 0.022 0.000 0.620 265 A CB -0.651 18.373 19.000 0.040 0.000 0.822 265 A HN 0.274 nan 8.150 nan 0.000 0.443 266 A N -0.152 122.646 122.820 -0.037 0.000 1.908 266 A HA -0.193 4.174 4.320 0.078 0.000 0.218 266 A C 2.108 179.649 177.584 -0.071 0.000 1.181 266 A CA 1.915 53.902 52.037 -0.083 0.000 0.627 266 A CB -0.462 18.504 19.000 -0.056 0.000 0.818 266 A HN 0.565 nan 8.150 nan 0.000 0.445 267 K N -0.926 119.476 120.400 0.003 0.000 2.057 267 K HA -0.166 4.201 4.320 0.078 0.000 0.207 267 K C 2.386 179.050 176.600 0.106 0.000 1.049 267 K CA 1.593 57.927 56.287 0.078 0.000 0.931 267 K CB -0.182 32.392 32.500 0.123 0.000 0.714 267 K HN 0.477 nan 8.250 nan 0.000 0.440 268 R N 0.807 121.359 120.500 0.087 0.000 2.081 268 R HA -0.109 4.277 4.340 0.078 0.000 0.235 268 R C 2.225 178.624 176.300 0.165 0.000 1.131 268 R CA 1.347 57.539 56.100 0.154 0.000 0.960 268 R CB -0.213 30.153 30.300 0.109 0.000 0.856 268 R HN 0.200 nan 8.270 nan 0.000 0.436 269 A N 0.360 123.144 122.820 -0.060 0.000 1.933 269 A HA -0.231 4.136 4.320 0.078 0.000 0.218 269 A C 2.056 179.654 177.584 0.024 0.000 1.175 269 A CA 1.563 53.454 52.037 -0.245 0.000 0.628 269 A CB -0.524 17.975 19.000 -0.836 0.000 0.814 269 A HN 0.396 nan 8.150 nan 0.000 0.444 270 Q N 0.066 119.950 119.800 0.141 0.000 2.079 270 Q HA -0.143 4.244 4.340 0.078 0.000 0.200 270 Q C 1.846 178.005 176.000 0.264 0.000 0.974 270 Q CA 2.105 58.040 55.803 0.221 0.000 0.840 270 Q CB -0.356 28.340 28.738 -0.070 0.000 0.898 270 Q HN 0.766 nan 8.270 nan 0.000 0.430 271 E N -1.144 119.221 120.200 0.274 0.000 2.110 271 E HA -0.165 4.232 4.350 0.078 0.000 0.193 271 E C 1.473 178.197 176.600 0.206 0.000 0.988 271 E CA 0.928 57.484 56.400 0.260 0.000 0.804 271 E CB -0.143 29.672 29.700 0.193 0.000 0.745 271 E HN 0.356 nan 8.360 nan 0.000 0.458 272 F N 0.718 120.742 119.950 0.123 0.000 2.558 272 F HA -0.058 4.515 4.527 0.077 0.000 0.298 272 F C 2.447 178.423 175.800 0.293 0.000 1.119 272 F CA 0.851 58.909 58.000 0.097 0.000 1.451 272 F CB 0.199 39.187 39.000 -0.020 0.000 1.091 272 F HN 0.008 nan 8.300 nan 0.000 0.563 273 Q N -0.463 119.580 119.800 0.405 0.000 2.252 273 Q HA -0.032 4.355 4.340 0.078 0.000 0.195 273 Q C 1.933 178.076 176.000 0.238 0.000 0.974 273 Q CA 0.628 56.544 55.803 0.187 0.000 0.846 273 Q CB -0.230 28.584 28.738 0.127 0.000 0.943 273 Q HN 0.354 nan 8.270 nan 0.000 0.516 274 L N 0.307 121.672 121.223 0.235 0.000 2.145 274 L HA 0.269 4.656 4.340 0.078 0.000 0.201 274 L C 2.107 179.122 176.870 0.241 0.000 1.075 274 L CA 2.253 57.199 54.840 0.177 0.000 0.773 274 L CB -0.883 41.296 42.059 0.199 0.000 0.936 274 L HN 0.318 nan 8.230 nan 0.000 0.451 275 G N -1.033 107.974 108.800 0.345 0.000 2.450 275 G HA2 -0.342 3.665 3.960 0.078 0.000 0.220 275 G HA3 -0.342 3.665 3.960 0.078 0.000 0.220 275 G C 1.363 176.459 174.900 0.328 0.000 1.130 275 G CA 0.685 46.007 45.100 0.370 0.000 0.760 275 G HN 0.562 nan 8.290 nan 0.000 0.557 276 W N 1.136 122.474 121.300 0.065 0.000 2.308 276 W HA -0.087 4.618 4.660 0.076 0.000 0.301 276 W C 1.770 178.156 176.519 -0.222 0.000 1.220 276 W CA 1.214 58.513 57.345 -0.076 0.000 1.240 276 W CB -0.628 28.738 29.460 -0.157 0.000 1.142 276 W HN 0.254 nan 8.180 nan 0.000 0.521 277 F N -0.832 119.226 119.950 0.180 0.000 2.419 277 F HA 0.219 4.793 4.527 0.078 0.000 0.283 277 F C 2.510 178.217 175.800 -0.155 0.000 1.044 277 F CA 1.278 59.253 58.000 -0.041 0.000 1.376 277 F CB -1.370 37.668 39.000 0.063 0.000 1.131 277 F HN -0.174 nan 8.300 nan 0.000 0.585 278 A N -0.006 122.792 122.820 -0.038 0.000 1.968 278 A HA -0.126 4.241 4.320 0.078 0.000 0.217 278 A C 1.678 179.230 177.584 -0.054 0.000 1.169 278 A CA 1.909 53.873 52.037 -0.122 0.000 0.638 278 A CB -0.768 17.956 19.000 -0.461 0.000 0.812 278 A HN 0.253 nan 8.150 nan 0.000 0.446 279 D N -0.115 120.354 120.400 0.115 0.000 2.097 279 D HA -0.078 4.609 4.640 0.078 0.000 0.195 279 D C -0.500 175.774 176.300 -0.043 0.000 0.989 279 D CA 1.507 55.625 54.000 0.197 0.000 0.827 279 D CB -1.325 39.733 40.800 0.430 0.000 0.966 279 D HN 0.292 nan 8.370 nan 0.000 0.456 280 P HA -0.138 nan 4.420 nan 0.000 0.215 280 P C 1.156 178.134 177.300 -0.537 0.000 1.157 280 P CA 1.006 63.789 63.100 -0.528 0.000 0.874 280 P CB -0.102 31.113 31.700 -0.808 0.000 0.790 281 F N -2.712 117.026 119.950 -0.354 0.000 2.293 281 F HA -0.049 4.525 4.527 0.077 0.000 0.300 281 F C 2.022 177.383 175.800 -0.733 0.000 1.086 281 F CA 1.130 58.810 58.000 -0.533 0.000 1.375 281 F CB -1.240 37.388 39.000 -0.621 0.000 1.045 281 F HN -0.098 nan 8.300 nan 0.000 0.516 282 F N -2.846 116.912 119.950 -0.319 0.000 2.505 282 F HA 0.123 4.697 4.527 0.078 0.000 0.289 282 F C 1.527 177.103 175.800 -0.373 0.000 1.101 282 F CA 0.594 58.295 58.000 -0.497 0.000 1.446 282 F CB -0.215 38.268 39.000 -0.862 0.000 1.123 282 F HN -0.182 nan 8.300 nan 0.000 0.564 283 F N -1.677 118.378 119.950 0.176 0.000 2.784 283 F HA 0.400 4.973 4.527 0.078 0.000 0.323 283 F C 1.694 177.489 175.800 -0.009 0.000 1.085 283 F CA 0.217 58.278 58.000 0.100 0.000 1.196 283 F CB 0.771 39.847 39.000 0.127 0.000 1.053 283 F HN -0.064 nan 8.300 nan 0.000 0.578 284 G N 0.957 109.758 108.800 0.001 0.000 2.157 284 G HA2 -0.223 3.784 3.960 0.078 0.000 0.248 284 G HA3 -0.223 3.784 3.960 0.078 0.000 0.248 284 G C -0.544 174.238 174.900 -0.196 0.000 0.979 284 G CA 0.310 45.315 45.100 -0.159 0.000 0.650 284 G HN 0.360 nan 8.290 nan 0.000 0.529 285 D N -1.878 118.474 120.400 -0.081 0.000 2.622 285 D HA 0.512 5.199 4.640 0.078 0.000 0.255 285 D C -0.254 176.078 176.300 0.054 0.000 1.246 285 D CA -0.668 53.345 54.000 0.021 0.000 0.795 285 D CB 0.594 41.476 40.800 0.137 0.000 1.369 285 D HN -0.062 nan 8.370 nan 0.000 0.425 286 Y N 0.395 120.850 120.300 0.259 0.000 2.426 286 Y HA 0.265 4.862 4.550 0.078 0.000 0.344 286 Y C -1.385 174.574 175.900 0.097 0.000 1.256 286 Y CA -0.960 57.236 58.100 0.161 0.000 1.451 286 Y CB -0.289 38.225 38.460 0.090 0.000 1.342 286 Y HN 0.090 nan 8.280 nan 0.000 0.600 287 P HA 0.025 nan 4.420 nan 0.000 0.268 287 P C -0.102 177.221 177.300 0.039 0.000 1.205 287 P CA 0.474 63.648 63.100 0.124 0.000 0.771 287 P CB 0.834 32.564 31.700 0.049 0.000 0.858 288 A N 3.218 126.063 122.820 0.042 0.000 1.927 288 A HA -0.229 4.138 4.320 0.078 0.000 0.220 288 A C 1.913 179.488 177.584 -0.016 0.000 1.185 288 A CA 2.676 54.722 52.037 0.015 0.000 0.639 288 A CB -2.036 16.974 19.000 0.017 0.000 0.820 288 A HN 0.618 nan 8.150 nan 0.000 0.451 289 T N -0.704 113.841 114.554 -0.015 0.000 2.759 289 T HA -0.203 4.194 4.350 0.078 0.000 0.269 289 T C 1.874 176.538 174.700 -0.060 0.000 1.042 289 T CA 1.777 63.889 62.100 0.019 0.000 1.140 289 T CB -0.386 68.552 68.868 0.118 0.000 0.864 289 T HN 0.470 nan 8.240 nan 0.000 0.455 290 M N 0.361 119.761 119.600 -0.333 0.000 2.123 290 M HA 0.073 4.600 4.480 0.078 0.000 0.263 290 M C 2.672 178.795 176.300 -0.295 0.000 1.069 290 M CA 1.228 56.197 55.300 -0.551 0.000 1.133 290 M CB -0.283 31.822 32.600 -0.826 0.000 1.356 290 M HN 0.075 nan 8.290 nan 0.000 0.415 291 R N 1.370 121.758 120.500 -0.186 0.000 2.096 291 R HA -0.111 4.276 4.340 0.078 0.000 0.240 291 R C 1.981 178.219 176.300 -0.102 0.000 1.139 291 R CA 2.348 58.373 56.100 -0.125 0.000 0.952 291 R CB -1.040 29.238 30.300 -0.037 0.000 0.854 291 R HN 0.354 nan 8.270 nan 0.000 0.436 292 A N 0.201 122.985 122.820 -0.060 0.000 1.902 292 A HA -0.141 4.226 4.320 0.078 0.000 0.217 292 A C 2.220 179.782 177.584 -0.037 0.000 1.181 292 A CA 1.825 53.843 52.037 -0.033 0.000 0.623 292 A CB -0.367 18.633 19.000 -0.001 0.000 0.818 292 A HN 0.419 nan 8.150 nan 0.000 0.443 293 R N -1.482 119.008 120.500 -0.017 0.000 2.189 293 R HA 0.135 4.522 4.340 0.078 0.000 0.203 293 R C 1.626 177.880 176.300 -0.076 0.000 1.012 293 R CA 0.944 57.043 56.100 -0.001 0.000 1.015 293 R CB 0.077 30.447 30.300 0.117 0.000 0.938 293 R HN 0.375 nan 8.270 nan 0.000 0.472 294 V N -0.132 119.683 119.914 -0.166 0.000 3.125 294 V HA 0.175 4.342 4.120 0.078 0.000 0.249 294 V C 1.465 177.379 176.094 -0.299 0.000 1.113 294 V CA 0.893 62.994 62.300 -0.331 0.000 1.106 294 V CB -0.027 31.394 31.823 -0.670 0.000 0.768 294 V HN 0.623 nan 8.190 nan 0.000 0.468 295 G N 1.117 109.782 108.800 -0.225 0.000 2.611 295 G HA2 -0.366 3.641 3.960 0.078 0.000 0.301 295 G HA3 -0.366 3.641 3.960 0.078 0.000 0.301 295 G C 0.799 175.581 174.900 -0.196 0.000 1.233 295 G CA 0.582 45.579 45.100 -0.172 0.000 0.993 295 G HN 0.322 nan 8.290 nan 0.000 0.553 296 E N 1.086 121.193 120.200 -0.155 0.000 2.409 296 E HA -0.023 4.374 4.350 0.078 0.000 0.198 296 E C 2.667 179.160 176.600 -0.179 0.000 1.024 296 E CA 0.619 56.932 56.400 -0.145 0.000 0.861 296 E CB -0.103 29.536 29.700 -0.101 0.000 0.788 296 E HN 0.563 nan 8.360 nan 0.000 0.521 297 R N -0.026 120.338 120.500 -0.227 0.000 2.307 297 R HA 0.030 4.417 4.340 0.078 0.000 0.199 297 R C 0.516 176.592 176.300 -0.374 0.000 1.000 297 R CA -0.029 55.923 56.100 -0.247 0.000 1.023 297 R CB 0.083 30.245 30.300 -0.231 0.000 0.908 297 R HN -0.066 nan 8.270 nan 0.000 0.473 298 L N 2.067 123.019 121.223 -0.451 0.000 2.257 298 L HA 0.368 4.755 4.340 0.078 0.000 0.290 298 L C -2.461 174.177 176.870 -0.388 0.000 1.044 298 L CA -2.483 52.039 54.840 -0.529 0.000 0.810 298 L CB 0.991 42.671 42.059 -0.633 0.000 1.193 298 L HN -0.213 nan 8.230 nan 0.000 0.425 299 P HA 0.172 nan 4.420 nan 0.000 0.269 299 P C -1.127 175.915 177.300 -0.429 0.000 1.217 299 P CA -0.020 62.748 63.100 -0.553 0.000 0.783 299 P CB 0.435 31.462 31.700 -1.121 0.000 0.898 300 R N 1.129 121.438 120.500 -0.318 0.000 2.514 300 R HA 0.460 4.847 4.340 0.078 0.000 0.301 300 R C -0.399 175.858 176.300 -0.072 0.000 0.962 300 R CA -0.651 55.376 56.100 -0.122 0.000 0.882 300 R CB 0.695 30.979 30.300 -0.027 0.000 1.143 300 R HN 0.359 nan 8.270 nan 0.000 0.452 301 F N 0.989 121.062 119.950 0.206 0.000 2.429 301 F HA 0.085 4.659 4.527 0.078 0.000 0.348 301 F C 1.610 177.464 175.800 0.090 0.000 1.109 301 F CA -0.185 57.913 58.000 0.163 0.000 1.232 301 F CB 0.731 39.761 39.000 0.050 0.000 1.157 301 F HN 0.475 nan 8.300 nan 0.000 0.564 302 T N -0.374 114.338 114.554 0.263 0.000 2.766 302 T HA 0.376 4.773 4.350 0.078 0.000 0.295 302 T C 1.223 176.008 174.700 0.141 0.000 1.024 302 T CA -0.344 61.851 62.100 0.159 0.000 1.018 302 T CB 1.127 70.066 68.868 0.117 0.000 1.002 302 T HN 0.699 nan 8.240 nan 0.000 0.532 303 A N 0.887 123.761 122.820 0.091 0.000 1.933 303 A HA -0.080 4.287 4.320 0.078 0.000 0.218 303 A C 2.042 179.654 177.584 0.048 0.000 1.175 303 A CA 1.709 53.784 52.037 0.063 0.000 0.628 303 A CB -0.980 18.048 19.000 0.046 0.000 0.814 303 A HN 0.899 nan 8.150 nan 0.000 0.444 304 D N -0.395 120.036 120.400 0.051 0.000 2.144 304 D HA -0.089 4.598 4.640 0.078 0.000 0.200 304 D C 1.920 178.243 176.300 0.039 0.000 0.978 304 D CA 1.304 55.327 54.000 0.038 0.000 0.833 304 D CB -0.325 40.498 40.800 0.038 0.000 0.961 304 D HN 0.659 nan 8.370 nan 0.000 0.470 305 E N 0.715 120.959 120.200 0.073 0.000 2.072 305 E HA -0.080 4.317 4.350 0.078 0.000 0.191 305 E C 2.127 178.706 176.600 -0.035 0.000 0.985 305 E CA 0.933 57.381 56.400 0.080 0.000 0.801 305 E CB -0.046 29.787 29.700 0.222 0.000 0.750 305 E HN 0.166 nan 8.360 nan 0.000 0.452 306 A N 1.370 124.161 122.820 -0.049 0.000 1.978 306 A HA -0.157 4.210 4.320 0.078 0.000 0.220 306 A C 2.334 179.840 177.584 -0.131 0.000 1.170 306 A CA 1.734 53.656 52.037 -0.191 0.000 0.636 306 A CB -0.570 18.378 19.000 -0.087 0.000 0.810 306 A HN 0.296 nan 8.150 nan 0.000 0.448 307 A N -0.983 121.805 122.820 -0.053 0.000 2.014 307 A HA 0.173 4.540 4.320 0.078 0.000 0.218 307 A C 2.034 179.601 177.584 -0.029 0.000 1.163 307 A CA 1.488 53.507 52.037 -0.030 0.000 0.652 307 A CB -0.385 18.611 19.000 -0.006 0.000 0.808 307 A HN 0.369 nan 8.150 nan 0.000 0.449 308 V N -1.066 118.830 119.914 -0.030 0.000 2.725 308 V HA -0.083 4.084 4.120 0.078 0.000 0.247 308 V C 2.394 178.484 176.094 -0.006 0.000 1.058 308 V CA 1.295 63.589 62.300 -0.010 0.000 1.080 308 V CB 0.068 31.897 31.823 0.010 0.000 0.713 308 V HN 0.323 nan 8.190 nan 0.000 0.465 309 V N -0.328 119.543 119.914 -0.071 0.000 2.346 309 V HA -0.071 4.096 4.120 0.078 0.000 0.244 309 V C 1.379 177.444 176.094 -0.048 0.000 1.037 309 V CA 1.128 63.379 62.300 -0.083 0.000 1.029 309 V CB -0.266 31.293 31.823 -0.441 0.000 0.663 309 V HN 0.438 nan 8.190 nan 0.000 0.454 310 K N 0.358 120.681 120.400 -0.128 0.000 2.416 310 K HA 0.304 4.671 4.320 0.078 0.000 0.283 310 K C 1.001 177.568 176.600 -0.055 0.000 1.037 310 K CA 0.822 57.049 56.287 -0.099 0.000 0.995 310 K CB 0.345 32.803 32.500 -0.070 0.000 0.938 310 K HN 0.453 nan 8.250 nan 0.000 0.475 311 G N 2.595 111.335 108.800 -0.100 0.000 2.159 311 G HA2 -0.330 3.677 3.960 0.078 0.000 0.256 311 G HA3 -0.330 3.677 3.960 0.078 0.000 0.256 311 G C 0.674 175.517 174.900 -0.094 0.000 0.977 311 G CA 0.388 45.434 45.100 -0.089 0.000 0.652 311 G HN 0.775 nan 8.290 nan 0.000 0.531 312 A N -0.593 122.184 122.820 -0.071 0.000 2.209 312 A HA 0.584 4.951 4.320 0.078 0.000 0.212 312 A C 1.194 178.723 177.584 -0.091 0.000 1.158 312 A CA 0.771 52.799 52.037 -0.014 0.000 0.742 312 A CB 0.007 19.111 19.000 0.173 0.000 0.790 312 A HN 0.693 nan 8.150 nan 0.000 0.472 313 L N -0.014 121.009 121.223 -0.333 0.000 2.307 313 L HA 0.284 4.671 4.340 0.078 0.000 0.282 313 L C 0.168 176.927 176.870 -0.186 0.000 1.051 313 L CA -0.769 53.835 54.840 -0.394 0.000 0.804 313 L CB 1.299 43.004 42.059 -0.590 0.000 1.197 313 L HN 0.148 nan 8.230 nan 0.000 0.431 314 D N 2.021 122.337 120.400 -0.140 0.000 2.240 314 D HA 0.064 4.751 4.640 0.078 0.000 0.206 314 D C -0.090 176.341 176.300 0.218 0.000 0.963 314 D CA 1.134 55.170 54.000 0.061 0.000 0.863 314 D CB 0.433 41.319 40.800 0.143 0.000 0.973 314 D HN 0.326 nan 8.370 nan 0.000 0.501 315 F N -1.469 118.541 119.950 0.101 0.000 2.662 315 F HA 0.585 5.159 4.527 0.077 0.000 0.312 315 F C -1.204 174.688 175.800 0.153 0.000 1.113 315 F CA -1.463 56.648 58.000 0.185 0.000 0.951 315 F CB 1.143 40.337 39.000 0.323 0.000 1.344 315 F HN -0.421 nan 8.300 nan 0.000 0.462 316 V N 1.988 122.188 119.914 0.477 0.000 2.347 316 V HA 0.669 4.836 4.120 0.078 0.000 0.280 316 V C 0.423 176.827 176.094 0.516 0.000 1.021 316 V CA -0.461 62.076 62.300 0.395 0.000 0.847 316 V CB 0.980 33.057 31.823 0.424 0.000 0.990 316 V HN 1.118 nan 8.190 nan 0.000 0.444 317 G N 5.777 114.791 108.800 0.356 0.000 2.353 317 G HA2 0.584 4.591 3.960 0.078 0.000 0.284 317 G HA3 0.584 4.591 3.960 0.078 0.000 0.284 317 G C -0.561 174.478 174.900 0.232 0.000 1.172 317 G CA -0.368 44.916 45.100 0.307 0.000 0.854 317 G HN 0.485 nan 8.290 nan 0.000 0.485 318 I N 2.460 123.175 120.570 0.241 0.000 2.362 318 I HA 0.207 4.424 4.170 0.078 0.000 0.289 318 I C -0.809 175.407 176.117 0.164 0.000 0.994 318 I CA -1.143 60.301 61.300 0.240 0.000 1.158 318 I CB 1.612 39.764 38.000 0.254 0.000 1.315 318 I HN 0.301 nan 8.210 nan 0.000 0.451 319 N N 5.118 123.904 118.700 0.142 0.000 2.500 319 N HA 0.216 5.003 4.740 0.078 0.000 0.236 319 N C -0.566 175.039 175.510 0.158 0.000 1.022 319 N CA -0.238 52.866 53.050 0.090 0.000 0.935 319 N CB 0.227 38.776 38.487 0.103 0.000 1.147 319 N HN 0.492 nan 8.380 nan 0.000 0.512 320 H N 1.035 120.067 119.070 -0.065 0.000 2.529 320 H HA 0.337 4.937 4.556 0.072 0.000 0.348 320 H C -0.656 174.631 175.328 -0.070 0.000 1.079 320 H CA -0.462 55.627 56.048 0.069 0.000 1.198 320 H CB 0.674 30.529 29.762 0.154 0.000 1.521 320 H HN 0.443 nan 8.280 nan 0.000 0.514 321 Y N 1.694 121.797 120.300 -0.328 0.000 2.652 321 Y HA 0.260 4.852 4.550 0.069 0.000 0.274 321 Y C 0.870 176.753 175.900 -0.030 0.000 1.148 321 Y CA 0.405 58.481 58.100 -0.041 0.000 1.219 321 Y CB 1.094 39.731 38.460 0.294 0.000 1.337 321 Y HN 0.598 nan 8.280 nan 0.000 0.490 322 T N -0.976 113.583 114.554 0.008 0.000 2.762 322 T HA 0.591 4.988 4.350 0.078 0.000 0.301 322 T C -1.354 173.462 174.700 0.194 0.000 1.299 322 T CA -0.410 61.839 62.100 0.249 0.000 1.005 322 T CB 1.684 70.798 68.868 0.410 0.000 1.377 322 T HN -0.115 nan 8.240 nan 0.000 0.504 323 T N 2.230 116.945 114.554 0.268 0.000 2.921 323 T HA 0.694 5.091 4.350 0.078 0.000 0.297 323 T C -1.737 173.139 174.700 0.294 0.000 1.013 323 T CA -0.414 61.814 62.100 0.213 0.000 0.990 323 T CB 0.766 69.791 68.868 0.263 0.000 1.023 323 T HN 0.396 nan 8.240 nan 0.000 0.447 324 Y N 0.710 120.992 120.300 -0.030 0.000 2.598 324 Y HA 0.601 5.191 4.550 0.067 0.000 0.340 324 Y C -0.349 175.519 175.900 -0.053 0.000 1.038 324 Y CA -2.230 55.851 58.100 -0.032 0.000 1.100 324 Y CB 0.922 39.514 38.460 0.220 0.000 1.281 324 Y HN 0.550 nan 8.280 nan 0.000 0.488 325 Y N -0.221 120.217 120.300 0.230 0.000 2.307 325 Y HA 0.499 5.100 4.550 0.086 0.000 0.324 325 Y C 0.401 176.384 175.900 0.139 0.000 1.238 325 Y CA -0.338 57.848 58.100 0.142 0.000 1.280 325 Y CB 1.019 39.517 38.460 0.062 0.000 1.248 325 Y HN 0.311 nan 8.280 nan 0.000 0.508 326 T N 3.744 118.444 114.554 0.243 0.000 2.881 326 T HA 0.576 4.973 4.350 0.078 0.000 0.290 326 T C -0.741 173.988 174.700 0.049 0.000 1.000 326 T CA -1.131 61.009 62.100 0.067 0.000 0.978 326 T CB 1.113 69.927 68.868 -0.091 0.000 0.997 326 T HN 0.634 nan 8.240 nan 0.000 0.443 327 R N 0.955 121.466 120.500 0.018 0.000 2.832 327 R HA 0.659 5.046 4.340 0.078 0.000 0.271 327 R C -0.466 175.837 176.300 0.006 0.000 0.996 327 R CA -1.001 55.115 56.100 0.027 0.000 0.977 327 R CB 0.763 31.081 30.300 0.030 0.000 1.168 327 R HN 0.652 nan 8.270 nan 0.000 0.482 328 H N 0.826 119.869 119.070 -0.045 0.000 2.972 328 H HA 0.120 4.722 4.556 0.078 0.000 0.343 328 H C -0.982 174.313 175.328 -0.054 0.000 1.054 328 H CA 1.093 57.108 56.048 -0.054 0.000 1.412 328 H CB 0.626 30.364 29.762 -0.039 0.000 1.385 328 H HN 0.693 nan 8.280 nan 0.000 0.600 329 N N 2.555 120.932 118.700 -0.539 0.000 2.324 329 N HA 0.237 5.024 4.740 0.078 0.000 0.285 329 N C -1.965 173.338 175.510 -0.345 0.000 1.076 329 N CA -0.814 52.064 53.050 -0.287 0.000 0.864 329 N CB 1.240 39.613 38.487 -0.191 0.000 1.632 329 N HN 0.574 nan 8.380 nan 0.000 0.478 330 N N 0.867 119.482 118.700 -0.142 0.000 2.392 330 N HA 0.277 5.064 4.740 0.078 0.000 0.283 330 N C -0.642 174.825 175.510 -0.072 0.000 1.003 330 N CA -0.320 52.676 53.050 -0.090 0.000 0.892 330 N CB 1.620 40.106 38.487 -0.001 0.000 1.193 330 N HN 0.690 nan 8.380 nan 0.000 0.487 331 T N -0.175 114.332 114.554 -0.079 0.000 2.903 331 T HA 0.023 4.420 4.350 0.078 0.000 0.314 331 T C 0.654 175.329 174.700 -0.041 0.000 1.078 331 T CA -0.498 61.565 62.100 -0.062 0.000 1.114 331 T CB 0.491 69.321 68.868 -0.064 0.000 0.987 331 T HN 0.282 nan 8.240 nan 0.000 0.548 332 N N 1.116 119.795 118.700 -0.035 0.000 2.411 332 N HA -0.051 4.736 4.740 0.078 0.000 0.265 332 N C 0.929 176.424 175.510 -0.025 0.000 1.266 332 N CA -0.272 52.762 53.050 -0.026 0.000 0.889 332 N CB 0.188 38.661 38.487 -0.024 0.000 1.069 332 N HN 0.709 nan 8.380 nan 0.000 0.476 333 I N 5.448 126.007 120.570 -0.019 0.000 2.361 333 I HA -0.106 4.111 4.170 0.078 0.000 0.251 333 I C 0.779 176.885 176.117 -0.018 0.000 1.133 333 I CA 0.992 62.281 61.300 -0.018 0.000 1.413 333 I CB 0.000 37.992 38.000 -0.013 0.000 1.073 333 I HN 0.573 nan 8.210 nan 0.000 0.424 334 I N -0.551 120.008 120.570 -0.017 0.000 2.339 334 I HA 0.746 4.963 4.170 0.078 0.000 0.290 334 I C 0.073 176.179 176.117 -0.019 0.000 0.994 334 I CA -0.382 60.909 61.300 -0.016 0.000 1.191 334 I CB 0.694 38.686 38.000 -0.013 0.000 1.343 334 I HN 0.170 nan 8.210 nan 0.000 0.458 335 G N 2.848 111.636 108.800 -0.020 0.000 2.312 335 G HA2 0.029 4.036 3.960 0.078 0.000 0.347 335 G HA3 0.029 4.036 3.960 0.078 0.000 0.347 335 G C -0.755 174.130 174.900 -0.025 0.000 1.564 335 G CA -0.804 44.283 45.100 -0.022 0.000 0.981 335 G HN 0.772 nan 8.290 nan 0.000 0.678 336 T N 0.687 115.226 114.554 -0.026 0.000 2.784 336 T HA 0.343 4.740 4.350 0.078 0.000 0.291 336 T C 0.570 175.250 174.700 -0.033 0.000 0.942 336 T CA -0.113 61.970 62.100 -0.028 0.000 1.161 336 T CB -0.071 68.780 68.868 -0.028 0.000 0.885 336 T HN 1.164 nan 8.240 nan 0.000 0.534 337 L N 7.600 128.803 121.223 -0.032 0.000 2.369 337 L HA 0.414 4.801 4.340 0.078 0.000 0.279 337 L C -0.754 176.094 176.870 -0.037 0.000 1.108 337 L CA 0.278 55.096 54.840 -0.036 0.000 0.852 337 L CB -0.032 42.007 42.059 -0.034 0.000 1.169 337 L HN 0.617 nan 8.230 nan 0.000 0.452 338 L N 5.948 127.145 121.223 -0.043 0.000 2.313 338 L HA 0.401 4.788 4.340 0.078 0.000 0.273 338 L C 0.024 176.871 176.870 -0.039 0.000 1.028 338 L CA -0.634 54.179 54.840 -0.046 0.000 0.871 338 L CB 0.629 42.650 42.059 -0.065 0.000 1.242 338 L HN 0.590 nan 8.230 nan 0.000 0.434 339 N N 3.470 122.156 118.700 -0.024 0.000 2.407 339 N HA 0.069 4.856 4.740 0.078 0.000 0.250 339 N C -0.483 175.031 175.510 0.007 0.000 1.236 339 N CA 0.420 53.465 53.050 -0.008 0.000 0.879 339 N CB 0.670 39.161 38.487 0.006 0.000 1.088 339 N HN 0.735 nan 8.380 nan 0.000 0.450 340 N N -3.102 115.607 118.700 0.015 0.000 2.961 340 N HA 0.166 4.953 4.740 0.078 0.000 0.245 340 N C 0.450 175.975 175.510 0.024 0.000 1.404 340 N CA -0.657 52.407 53.050 0.023 0.000 0.880 340 N CB 0.465 38.957 38.487 0.009 0.000 1.461 340 N HN 0.237 nan 8.380 nan 0.000 0.510 341 T N -2.000 112.558 114.554 0.007 0.000 2.821 341 T HA -0.132 4.265 4.350 0.078 0.000 0.267 341 T C 1.484 176.149 174.700 -0.058 0.000 1.046 341 T CA 1.184 63.278 62.100 -0.009 0.000 1.139 341 T CB -0.281 68.533 68.868 -0.090 0.000 0.871 341 T HN 0.380 nan 8.240 nan 0.000 0.454 342 L N 1.938 123.131 121.223 -0.050 0.000 2.056 342 L HA 0.280 4.667 4.340 0.078 0.000 0.207 342 L C 2.880 179.653 176.870 -0.161 0.000 1.078 342 L CA 1.739 56.522 54.840 -0.095 0.000 0.749 342 L CB -1.298 40.740 42.059 -0.034 0.000 0.901 342 L HN 0.347 nan 8.230 nan 0.000 0.433 343 A N -0.721 122.031 122.820 -0.113 0.000 1.908 343 A HA -0.254 4.113 4.320 0.078 0.000 0.218 343 A C 1.992 179.465 177.584 -0.185 0.000 1.181 343 A CA 2.019 53.978 52.037 -0.130 0.000 0.627 343 A CB -0.905 18.046 19.000 -0.083 0.000 0.818 343 A HN 0.551 nan 8.150 nan 0.000 0.445 344 D N -0.489 119.808 120.400 -0.172 0.000 2.218 344 D HA -0.120 4.567 4.640 0.078 0.000 0.204 344 D C 2.252 178.240 176.300 -0.520 0.000 0.976 344 D CA 1.903 55.786 54.000 -0.196 0.000 0.853 344 D CB -0.554 40.236 40.800 -0.016 0.000 0.939 344 D HN 0.670 nan 8.370 nan 0.000 0.481 345 T N -2.586 111.491 114.554 -0.795 0.000 2.915 345 T HA 0.064 4.461 4.350 0.078 0.000 0.269 345 T C 1.753 176.023 174.700 -0.716 0.000 1.071 345 T CA 1.210 62.501 62.100 -1.349 0.000 1.132 345 T CB -0.262 68.026 68.868 -0.968 0.000 0.878 345 T HN 0.215 nan 8.240 nan 0.000 0.479 346 G N 1.521 110.045 108.800 -0.460 0.000 2.198 346 G HA2 -0.181 3.826 3.960 0.078 0.000 0.260 346 G HA3 -0.181 3.826 3.960 0.078 0.000 0.260 346 G C 0.206 174.844 174.900 -0.438 0.000 1.025 346 G CA 0.794 45.656 45.100 -0.396 0.000 0.769 346 G HN 1.401 nan 8.290 nan 0.000 0.507 347 T N -3.895 110.441 114.554 -0.363 0.000 2.864 347 T HA 0.746 5.143 4.350 0.078 0.000 0.299 347 T C -0.855 173.719 174.700 -0.210 0.000 1.166 347 T CA -0.422 61.505 62.100 -0.288 0.000 1.007 347 T CB 3.058 71.746 68.868 -0.301 0.000 1.219 347 T HN 0.948 nan 8.240 nan 0.000 0.506 348 V N 1.698 121.527 119.914 -0.141 0.000 2.531 348 V HA 0.670 4.837 4.120 0.078 0.000 0.301 348 V C -0.447 175.629 176.094 -0.032 0.000 1.034 348 V CA -0.670 61.588 62.300 -0.070 0.000 0.865 348 V CB 2.098 33.901 31.823 -0.033 0.000 0.995 348 V HN 1.118 nan 8.190 nan 0.000 0.424 349 S N 5.632 121.346 115.700 0.023 0.000 2.473 349 S HA 0.868 5.385 4.470 0.078 0.000 0.307 349 S C -1.010 173.742 174.600 0.255 0.000 1.094 349 S CA -0.494 57.795 58.200 0.148 0.000 1.070 349 S CB 1.485 64.750 63.200 0.109 0.000 1.019 349 S HN 0.413 nan 8.310 nan 0.000 0.480 350 L N 3.897 125.214 121.223 0.157 0.000 2.466 350 L HA 0.542 4.929 4.340 0.078 0.000 0.258 350 L C -2.143 174.523 176.870 -0.339 0.000 0.973 350 L CA -1.678 53.104 54.840 -0.096 0.000 0.826 350 L CB 2.156 44.264 42.059 0.082 0.000 1.372 350 L HN 0.297 nan 8.230 nan 0.000 0.409 351 P HA 0.121 nan 4.420 nan 0.000 0.255 351 P C -0.558 176.231 177.300 -0.852 0.000 1.357 351 P CA 0.458 62.923 63.100 -1.058 0.000 0.839 351 P CB -0.140 30.417 31.700 -1.905 0.000 1.356 352 F N 0.345 120.266 119.950 -0.048 0.000 2.551 352 F HA 0.532 5.116 4.527 0.095 0.000 0.316 352 F C 0.630 176.455 175.800 0.042 0.000 1.089 352 F CA -0.924 57.100 58.000 0.042 0.000 0.915 352 F CB 2.819 41.797 39.000 -0.035 0.000 1.186 352 F HN -0.395 nan 8.300 nan 0.000 0.456 353 K N 2.272 122.720 120.400 0.080 0.000 2.578 353 K HA 0.350 4.717 4.320 0.078 0.000 0.250 353 K C -0.726 175.831 176.600 -0.072 0.000 0.955 353 K CA -0.491 55.657 56.287 -0.230 0.000 0.825 353 K CB 0.678 32.667 32.500 -0.851 0.000 1.151 353 K HN 0.837 nan 8.250 nan 0.000 0.432 354 N N 3.175 121.848 118.700 -0.045 0.000 2.740 354 N HA -0.250 4.537 4.740 0.078 0.000 0.248 354 N C 0.512 176.035 175.510 0.021 0.000 1.062 354 N CA 0.642 53.681 53.050 -0.018 0.000 0.704 354 N CB -0.885 37.583 38.487 -0.031 0.000 0.968 354 N HN 1.082 nan 8.380 nan 0.000 0.547 355 G N -0.388 108.440 108.800 0.046 0.000 2.234 355 G HA2 -0.407 3.600 3.960 0.078 0.000 0.260 355 G HA3 -0.407 3.600 3.960 0.078 0.000 0.260 355 G C 0.073 175.090 174.900 0.195 0.000 0.987 355 G CA 0.818 45.944 45.100 0.044 0.000 0.625 355 G HN 0.559 nan 8.290 nan 0.000 0.532 356 K N 2.128 122.668 120.400 0.233 0.000 2.211 356 K HA 0.490 4.857 4.320 0.078 0.000 0.275 356 K C -2.165 174.629 176.600 0.324 0.000 1.024 356 K CA -2.133 54.307 56.287 0.255 0.000 0.887 356 K CB 1.667 34.252 32.500 0.142 0.000 1.084 356 K HN 0.095 nan 8.250 nan 0.000 0.463 357 P HA -0.040 nan 4.420 nan 0.000 0.272 357 P C 0.612 177.894 177.300 -0.030 0.000 1.223 357 P CA 0.049 63.044 63.100 -0.175 0.000 0.784 357 P CB 0.732 32.413 31.700 -0.033 0.000 0.923 358 I N 0.015 120.479 120.570 -0.176 0.000 2.756 358 I HA 0.000 4.217 4.170 0.078 0.000 0.262 358 I C 0.845 176.989 176.117 0.046 0.000 1.225 358 I CA 1.260 62.528 61.300 -0.054 0.000 1.472 358 I CB -0.265 37.509 38.000 -0.378 0.000 1.094 358 I HN 0.585 nan 8.210 nan 0.000 0.454 359 G N -0.539 108.336 108.800 0.125 0.000 2.430 359 G HA2 0.092 4.099 3.960 0.078 0.000 0.300 359 G HA3 0.092 4.099 3.960 0.078 0.000 0.300 359 G C -1.827 173.211 174.900 0.230 0.000 1.330 359 G CA -0.606 44.600 45.100 0.177 0.000 0.813 359 G HN -0.013 nan 8.290 nan 0.000 0.487 360 D N -0.287 120.199 120.400 0.143 0.000 2.390 360 D HA 0.333 5.020 4.640 0.078 0.000 0.236 360 D C 0.490 176.770 176.300 -0.034 0.000 1.189 360 D CA 0.309 54.351 54.000 0.070 0.000 0.887 360 D CB 0.653 41.485 40.800 0.053 0.000 1.198 360 D HN 0.473 nan 8.370 nan 0.000 0.444 361 R N 1.144 121.525 120.500 -0.199 0.000 2.664 361 R HA 0.678 5.065 4.340 0.078 0.000 0.286 361 R C -0.453 175.663 176.300 -0.307 0.000 0.967 361 R CA -0.893 54.915 56.100 -0.487 0.000 0.933 361 R CB 1.393 31.251 30.300 -0.736 0.000 1.146 361 R HN 0.502 nan 8.270 nan 0.000 0.468 362 A N 1.846 124.454 122.820 -0.353 0.000 2.336 362 A HA 0.062 4.429 4.320 0.078 0.000 0.278 362 A C 0.916 178.298 177.584 -0.336 0.000 1.371 362 A CA 0.029 51.870 52.037 -0.328 0.000 0.842 362 A CB 0.033 18.788 19.000 -0.408 0.000 1.363 362 A HN 0.942 nan 8.150 nan 0.000 0.517 363 N N -0.340 118.162 118.700 -0.330 0.000 2.069 363 N HA -0.099 4.688 4.740 0.078 0.000 0.191 363 N C 0.530 175.869 175.510 -0.285 0.000 1.031 363 N CA 1.640 54.530 53.050 -0.268 0.000 0.852 363 N CB -0.234 38.104 38.487 -0.248 0.000 1.018 363 N HN 0.445 nan 8.380 nan 0.000 0.423 364 S N 0.273 115.723 115.700 -0.417 0.000 2.537 364 S HA 0.032 4.549 4.470 0.078 0.000 0.286 364 S C 1.194 175.526 174.600 -0.446 0.000 1.299 364 S CA -0.414 57.516 58.200 -0.450 0.000 1.067 364 S CB 0.745 63.489 63.200 -0.760 0.000 0.864 364 S HN 0.305 nan 8.310 nan 0.000 0.494 365 I N 4.220 124.697 120.570 -0.155 0.000 2.567 365 I HA -0.101 4.116 4.170 0.078 0.000 0.257 365 I C 1.697 177.913 176.117 0.165 0.000 1.184 365 I CA 1.063 62.376 61.300 0.021 0.000 1.451 365 I CB -0.294 37.797 38.000 0.153 0.000 1.089 365 I HN 0.888 nan 8.210 nan 0.000 0.441 366 W N -0.723 120.701 121.300 0.207 0.000 3.077 366 W HA 0.235 4.949 4.660 0.090 0.000 0.266 366 W C 0.311 177.097 176.519 0.445 0.000 1.300 366 W CA -0.398 57.174 57.345 0.378 0.000 1.586 366 W CB -0.790 28.848 29.460 0.297 0.000 1.103 366 W HN -0.023 nan 8.180 nan 0.000 0.652 367 L N 2.427 123.395 121.223 -0.425 0.000 2.287 367 L HA 0.361 4.748 4.340 0.078 0.000 0.280 367 L C -1.228 175.513 176.870 -0.217 0.000 1.055 367 L CA -0.725 53.832 54.840 -0.472 0.000 0.863 367 L CB 0.146 41.559 42.059 -1.078 0.000 1.245 367 L HN -0.224 nan 8.230 nan 0.000 0.432 368 Y N 3.874 124.252 120.300 0.130 0.000 2.334 368 Y HA 0.362 4.948 4.550 0.060 0.000 0.328 368 Y C 0.406 176.441 175.900 0.224 0.000 1.130 368 Y CA -0.553 57.623 58.100 0.128 0.000 1.163 368 Y CB 1.642 40.161 38.460 0.098 0.000 1.207 368 Y HN 0.351 nan 8.280 nan 0.000 0.471 369 I N 4.379 125.138 120.570 0.315 0.000 2.308 369 I HA 0.191 4.407 4.170 0.078 0.000 0.293 369 I C -0.816 175.477 176.117 0.293 0.000 1.078 369 I CA -0.209 61.328 61.300 0.395 0.000 1.292 369 I CB 0.105 38.303 38.000 0.329 0.000 1.423 369 I HN 0.279 nan 8.210 nan 0.000 0.493 370 V N 8.300 128.386 119.914 0.286 0.000 2.564 370 V HA 0.169 4.336 4.120 0.078 0.000 0.259 370 V C -1.846 174.097 176.094 -0.251 0.000 0.936 370 V CA -0.839 61.503 62.300 0.070 0.000 0.867 370 V CB 1.094 32.999 31.823 0.136 0.000 1.076 370 V HN 0.522 nan 8.190 nan 0.000 0.476 371 P HA -0.173 nan 4.420 nan 0.000 0.218 371 P C 1.733 178.705 177.300 -0.548 0.000 1.148 371 P CA 1.243 63.734 63.100 -1.015 0.000 0.822 371 P CB 0.110 31.475 31.700 -0.557 0.000 0.784 372 R N -0.660 119.675 120.500 -0.275 0.000 2.193 372 R HA -0.024 4.363 4.340 0.078 0.000 0.229 372 R C 2.281 178.456 176.300 -0.207 0.000 1.110 372 R CA 1.694 57.682 56.100 -0.186 0.000 0.988 372 R CB -1.896 28.349 30.300 -0.091 0.000 0.871 372 R HN 0.098 nan 8.270 nan 0.000 0.458 373 G N 1.604 110.323 108.800 -0.134 0.000 2.450 373 G HA2 -0.330 3.677 3.960 0.078 0.000 0.220 373 G HA3 -0.330 3.677 3.960 0.078 0.000 0.220 373 G C 1.359 176.065 174.900 -0.323 0.000 1.130 373 G CA 0.975 46.022 45.100 -0.089 0.000 0.760 373 G HN 0.335 nan 8.290 nan 0.000 0.557 374 M N 0.473 119.951 119.600 -0.203 0.000 2.080 374 M HA 0.006 4.533 4.480 0.078 0.000 0.260 374 M C 2.373 178.511 176.300 -0.271 0.000 1.068 374 M CA 1.828 56.998 55.300 -0.218 0.000 1.109 374 M CB -0.421 32.200 32.600 0.035 0.000 1.342 374 M HN 0.236 nan 8.290 nan 0.000 0.405 375 R N -0.928 119.420 120.500 -0.252 0.000 2.075 375 R HA -0.076 4.311 4.340 0.078 0.000 0.232 375 R C 2.052 178.146 176.300 -0.342 0.000 1.126 375 R CA 1.803 57.768 56.100 -0.226 0.000 0.963 375 R CB -0.295 29.903 30.300 -0.170 0.000 0.858 375 R HN 0.459 nan 8.270 nan 0.000 0.435 376 S N 1.127 116.505 115.700 -0.537 0.000 2.370 376 S HA -0.165 4.352 4.470 0.078 0.000 0.226 376 S C 1.692 175.636 174.600 -1.093 0.000 1.033 376 S CA 1.247 58.946 58.200 -0.835 0.000 1.011 376 S CB -0.306 62.137 63.200 -1.262 0.000 0.852 376 S HN 0.290 nan 8.310 nan 0.000 0.457 377 L N 1.292 121.866 121.223 -1.082 0.000 2.109 377 L HA 0.083 4.470 4.340 0.078 0.000 0.207 377 L C 2.039 178.769 176.870 -0.233 0.000 1.086 377 L CA 1.630 56.057 54.840 -0.688 0.000 0.760 377 L CB -0.678 41.099 42.059 -0.471 0.000 0.910 377 L HN 0.166 nan 8.230 nan 0.000 0.437 378 M N -0.419 119.055 119.600 -0.210 0.000 2.108 378 M HA -0.203 4.324 4.480 0.078 0.000 0.261 378 M C 2.070 178.350 176.300 -0.034 0.000 1.066 378 M CA 1.639 56.904 55.300 -0.058 0.000 1.107 378 M CB -1.633 30.944 32.600 -0.038 0.000 1.356 378 M HN 0.393 nan 8.290 nan 0.000 0.406 379 N N -0.735 117.909 118.700 -0.093 0.000 2.142 379 N HA -0.180 4.607 4.740 0.078 0.000 0.186 379 N C 1.650 177.160 175.510 0.000 0.000 1.023 379 N CA 0.988 54.007 53.050 -0.051 0.000 0.852 379 N CB -0.372 38.070 38.487 -0.074 0.000 0.998 379 N HN 0.298 nan 8.380 nan 0.000 0.424 380 Y N 1.267 121.502 120.300 -0.108 0.000 2.114 380 Y HA -0.262 4.336 4.550 0.080 0.000 0.282 380 Y C 2.024 177.936 175.900 0.019 0.000 1.165 380 Y CA 1.393 59.506 58.100 0.022 0.000 1.148 380 Y CB -0.425 38.141 38.460 0.177 0.000 0.972 380 Y HN -0.148 nan 8.280 nan 0.000 0.504 381 V N 0.957 120.997 119.914 0.210 0.000 2.343 381 V HA -0.309 3.858 4.120 0.078 0.000 0.247 381 V C 2.435 178.543 176.094 0.023 0.000 1.051 381 V CA 2.290 64.707 62.300 0.196 0.000 1.036 381 V CB -0.738 31.256 31.823 0.283 0.000 0.654 381 V HN 0.389 nan 8.190 nan 0.000 0.451 382 K N -0.198 120.206 120.400 0.006 0.000 2.032 382 K HA -0.238 4.129 4.320 0.078 0.000 0.209 382 K C 2.173 178.724 176.600 -0.081 0.000 1.048 382 K CA 1.785 58.060 56.287 -0.020 0.000 0.927 382 K CB -0.073 32.422 32.500 -0.009 0.000 0.712 382 K HN 0.378 nan 8.250 nan 0.000 0.441 383 E N 0.337 120.457 120.200 -0.134 0.000 2.046 383 E HA -0.161 4.236 4.350 0.078 0.000 0.190 383 E C 2.097 178.542 176.600 -0.260 0.000 0.982 383 E CA 1.007 57.307 56.400 -0.166 0.000 0.800 383 E CB -0.194 29.415 29.700 -0.151 0.000 0.756 383 E HN 0.334 nan 8.360 nan 0.000 0.449 384 R N -0.512 119.698 120.500 -0.483 0.000 2.115 384 R HA -0.088 4.299 4.340 0.078 0.000 0.226 384 R C 0.899 176.871 176.300 -0.547 0.000 1.100 384 R CA 0.968 56.668 56.100 -0.666 0.000 0.980 384 R CB 0.102 29.679 30.300 -1.205 0.000 0.875 384 R HN 0.145 nan 8.270 nan 0.000 0.445 385 Y N 0.392 120.563 120.300 -0.215 0.000 2.612 385 Y HA 0.328 4.924 4.550 0.077 0.000 0.250 385 Y C -0.303 175.407 175.900 -0.318 0.000 1.175 385 Y CA -0.919 56.903 58.100 -0.462 0.000 1.205 385 Y CB 0.431 38.233 38.460 -1.097 0.000 1.201 385 Y HN 0.052 nan 8.280 nan 0.000 0.532 386 N N 0.426 119.100 118.700 -0.043 0.000 2.780 386 N HA -0.217 4.570 4.740 0.078 0.000 0.247 386 N C 0.179 175.699 175.510 0.018 0.000 1.076 386 N CA 1.059 54.114 53.050 0.009 0.000 0.688 386 N CB -1.509 37.021 38.487 0.072 0.000 0.957 386 N HN 0.254 nan 8.380 nan 0.000 0.551 387 S N -1.733 113.968 115.700 0.003 0.000 3.697 387 S HA -0.140 4.377 4.470 0.078 0.000 0.388 387 S C -1.824 172.815 174.600 0.066 0.000 0.941 387 S CA 0.244 58.462 58.200 0.032 0.000 1.247 387 S CB -0.391 62.830 63.200 0.034 0.000 0.904 387 S HN 0.493 nan 8.310 nan 0.000 0.518 388 P HA 0.383 nan 4.420 nan 0.000 0.274 388 P C -2.702 174.697 177.300 0.165 0.000 1.237 388 P CA -1.506 61.689 63.100 0.158 0.000 0.793 388 P CB -0.178 31.643 31.700 0.202 0.000 0.977 389 P HA 0.133 nan 4.420 nan 0.000 0.271 389 P C -0.646 176.783 177.300 0.215 0.000 1.216 389 P CA 0.236 63.431 63.100 0.159 0.000 0.771 389 P CB 0.409 32.228 31.700 0.198 0.000 0.864 390 V N 4.502 124.476 119.914 0.100 0.000 2.680 390 V HA 0.393 4.560 4.120 0.078 0.000 0.309 390 V C -0.775 175.307 176.094 -0.021 0.000 1.052 390 V CA -0.509 61.892 62.300 0.168 0.000 0.908 390 V CB 1.469 33.393 31.823 0.169 0.000 1.001 390 V HN 0.390 nan 8.190 nan 0.000 0.431 391 Y N 3.370 123.749 120.300 0.132 0.000 2.393 391 Y HA 0.539 5.135 4.550 0.077 0.000 0.341 391 Y C 0.187 176.153 175.900 0.110 0.000 0.988 391 Y CA -1.061 57.058 58.100 0.033 0.000 1.078 391 Y CB 1.779 40.175 38.460 -0.105 0.000 1.203 391 Y HN 0.354 nan 8.280 nan 0.000 0.453 392 I N 3.670 124.399 120.570 0.265 0.000 2.311 392 I HA 0.013 4.230 4.170 0.078 0.000 0.297 392 I C 1.260 177.480 176.117 0.171 0.000 1.131 392 I CA 0.083 61.515 61.300 0.220 0.000 1.289 392 I CB -0.140 38.024 38.000 0.274 0.000 1.446 392 I HN 0.776 nan 8.210 nan 0.000 0.524 393 T N 2.247 116.865 114.554 0.106 0.000 3.085 393 T HA 0.154 4.551 4.350 0.078 0.000 0.263 393 T C 0.567 175.249 174.700 -0.030 0.000 1.127 393 T CA 0.360 62.434 62.100 -0.043 0.000 1.103 393 T CB 0.221 69.023 68.868 -0.111 0.000 0.921 393 T HN 0.574 nan 8.240 nan 0.000 0.510 394 E N 0.302 120.491 120.200 -0.018 0.000 2.354 394 E HA 0.557 4.953 4.350 0.078 0.000 0.283 394 E C -1.622 174.838 176.600 -0.233 0.000 0.938 394 E CA -0.826 55.561 56.400 -0.021 0.000 0.777 394 E CB 1.761 31.479 29.700 0.031 0.000 1.222 394 E HN 0.210 nan 8.360 nan 0.000 0.423 395 N N 1.011 119.594 118.700 -0.195 0.000 2.431 395 N HA 0.690 5.477 4.740 0.078 0.000 0.275 395 N C -1.244 174.377 175.510 0.185 0.000 1.091 395 N CA -0.045 52.867 53.050 -0.229 0.000 0.922 395 N CB 2.134 40.647 38.487 0.043 0.000 1.666 395 N HN 0.660 nan 8.380 nan 0.000 0.484 396 G N 0.714 109.628 108.800 0.190 0.000 2.321 396 G HA2 0.517 4.524 3.960 0.078 0.000 0.296 396 G HA3 0.517 4.524 3.960 0.078 0.000 0.296 396 G C -1.675 173.172 174.900 -0.087 0.000 1.287 396 G CA -0.298 44.912 45.100 0.183 0.000 0.846 396 G HN 0.829 nan 8.290 nan 0.000 0.508 397 M N -0.831 118.670 119.600 -0.165 0.000 2.721 397 M HA 0.761 5.288 4.480 0.078 0.000 0.271 397 M C -2.063 173.917 176.300 -0.534 0.000 1.259 397 M CA -0.993 54.060 55.300 -0.411 0.000 0.835 397 M CB 2.554 34.580 32.600 -0.958 0.000 1.689 397 M HN 0.586 nan 8.290 nan 0.000 0.470 398 D N -0.510 119.329 120.400 -0.935 0.000 2.340 398 D HA 0.544 5.231 4.640 0.078 0.000 0.240 398 D C -1.495 174.515 176.300 -0.484 0.000 1.001 398 D CA -0.350 53.065 54.000 -0.976 0.000 0.888 398 D CB 1.392 41.208 40.800 -1.639 0.000 1.310 398 D HN 0.617 nan 8.370 nan 0.000 0.474 399 D N -0.207 120.011 120.400 -0.304 0.000 2.332 399 D HA 0.268 4.955 4.640 0.078 0.000 0.252 399 D C 0.417 176.642 176.300 -0.125 0.000 1.050 399 D CA -0.346 53.560 54.000 -0.155 0.000 0.970 399 D CB 1.447 42.219 40.800 -0.047 0.000 1.141 399 D HN 0.512 nan 8.370 nan 0.000 0.485 400 S N 0.527 116.188 115.700 -0.065 0.000 2.614 400 S HA 0.102 4.619 4.470 0.078 0.000 0.265 400 S C 0.208 174.825 174.600 0.030 0.000 1.303 400 S CA -0.761 57.423 58.200 -0.026 0.000 1.000 400 S CB 0.765 63.962 63.200 -0.004 0.000 0.935 400 S HN 0.379 nan 8.310 nan 0.000 0.551 401 N N 1.876 120.603 118.700 0.046 0.000 2.558 401 N HA 0.208 4.995 4.740 0.078 0.000 0.233 401 N C -1.392 174.152 175.510 0.057 0.000 1.038 401 N CA -0.284 52.817 53.050 0.085 0.000 0.934 401 N CB -0.132 38.414 38.487 0.099 0.000 1.175 401 N HN 0.669 nan 8.380 nan 0.000 0.512 402 N N 4.545 123.284 118.700 0.066 0.000 2.558 402 N HA 0.355 5.142 4.740 0.078 0.000 0.242 402 N C -1.977 173.501 175.510 -0.054 0.000 0.979 402 N CA -1.955 51.111 53.050 0.027 0.000 0.931 402 N CB 1.456 39.990 38.487 0.078 0.000 1.122 402 N HN 0.364 nan 8.380 nan 0.000 0.508 403 P HA 0.059 nan 4.420 nan 0.000 0.242 403 P C 0.263 177.331 177.300 -0.388 0.000 1.197 403 P CA 0.483 63.374 63.100 -0.348 0.000 0.765 403 P CB -0.032 31.378 31.700 -0.483 0.000 0.936 404 F N 0.568 120.539 119.950 0.034 0.000 2.765 404 F HA 0.256 4.829 4.527 0.076 0.000 0.302 404 F C 1.491 177.293 175.800 0.004 0.000 1.111 404 F CA -0.540 57.471 58.000 0.018 0.000 1.359 404 F CB -0.375 38.635 39.000 0.017 0.000 1.097 404 F HN -0.104 nan 8.300 nan 0.000 0.577 405 I N -2.738 117.897 120.570 0.108 0.000 2.846 405 I HA 0.641 4.858 4.170 0.078 0.000 0.307 405 I C 0.319 176.425 176.117 -0.019 0.000 1.053 405 I CA -1.209 60.118 61.300 0.044 0.000 1.050 405 I CB 1.815 39.830 38.000 0.025 0.000 1.239 405 I HN -0.110 nan 8.210 nan 0.000 0.439 406 S N 3.401 119.068 115.700 -0.056 0.000 2.593 406 S HA 0.337 4.854 4.470 0.078 0.000 0.269 406 S C 1.008 175.474 174.600 -0.223 0.000 1.334 406 S CA -0.613 57.519 58.200 -0.114 0.000 1.015 406 S CB 1.137 64.271 63.200 -0.110 0.000 0.912 406 S HN 0.708 nan 8.310 nan 0.000 0.541 407 I N 1.347 121.720 120.570 -0.328 0.000 2.163 407 I HA -0.227 3.990 4.170 0.078 0.000 0.243 407 I C 2.613 178.384 176.117 -0.576 0.000 1.085 407 I CA 1.567 62.482 61.300 -0.642 0.000 1.347 407 I CB -0.473 37.068 38.000 -0.766 0.000 1.044 407 I HN 0.764 nan 8.210 nan 0.000 0.408 408 K N 0.485 120.655 120.400 -0.383 0.000 2.074 408 K HA -0.238 4.129 4.320 0.078 0.000 0.209 408 K C 1.701 178.171 176.600 -0.217 0.000 1.048 408 K CA 1.873 57.996 56.287 -0.274 0.000 0.926 408 K CB -0.239 32.154 32.500 -0.179 0.000 0.713 408 K HN 0.299 nan 8.250 nan 0.000 0.444 409 D N 0.222 120.512 120.400 -0.184 0.000 2.183 409 D HA -0.066 4.621 4.640 0.078 0.000 0.203 409 D C 1.735 177.951 176.300 -0.140 0.000 0.969 409 D CA 0.992 54.915 54.000 -0.128 0.000 0.842 409 D CB -0.115 40.635 40.800 -0.084 0.000 0.957 409 D HN 0.203 nan 8.370 nan 0.000 0.484 410 A N 0.512 123.200 122.820 -0.220 0.000 2.019 410 A HA -0.091 4.276 4.320 0.078 0.000 0.219 410 A C 2.177 179.656 177.584 -0.176 0.000 1.164 410 A CA 0.711 52.626 52.037 -0.203 0.000 0.644 410 A CB -0.595 18.180 19.000 -0.376 0.000 0.805 410 A HN 0.245 nan 8.150 nan 0.000 0.449 411 L N -0.989 120.089 121.223 -0.241 0.000 2.478 411 L HA -0.022 4.365 4.340 0.078 0.000 0.223 411 L C 0.520 177.349 176.870 -0.069 0.000 1.140 411 L CA 0.572 55.327 54.840 -0.143 0.000 0.842 411 L CB -0.289 41.667 42.059 -0.170 0.000 0.953 411 L HN 0.249 nan 8.230 nan 0.000 0.452 412 K N 2.019 122.377 120.400 -0.069 0.000 2.307 412 K HA 0.038 4.405 4.320 0.078 0.000 0.240 412 K C -0.212 176.370 176.600 -0.030 0.000 1.214 412 K CA -0.186 56.075 56.287 -0.043 0.000 1.149 412 K CB -0.148 32.324 32.500 -0.046 0.000 1.668 412 K HN 0.111 nan 8.250 nan 0.000 0.314 413 D N 0.829 121.218 120.400 -0.018 0.000 3.134 413 D HA -0.054 4.633 4.640 0.078 0.000 0.248 413 D C 0.900 177.183 176.300 -0.029 0.000 1.273 413 D CA -0.359 53.633 54.000 -0.013 0.000 0.904 413 D CB 0.387 41.196 40.800 0.014 0.000 1.089 413 D HN 0.175 nan 8.370 nan 0.000 0.478 414 S N 0.136 115.814 115.700 -0.036 0.000 2.400 414 S HA -0.275 4.242 4.470 0.078 0.000 0.232 414 S C 1.724 176.287 174.600 -0.061 0.000 1.025 414 S CA 0.724 58.891 58.200 -0.054 0.000 0.993 414 S CB -0.233 62.944 63.200 -0.037 0.000 0.808 414 S HN 0.382 nan 8.310 nan 0.000 0.478 415 K N 1.607 121.983 120.400 -0.040 0.000 2.057 415 K HA -0.081 4.286 4.320 0.078 0.000 0.206 415 K C 2.587 179.176 176.600 -0.017 0.000 1.050 415 K CA 1.122 57.393 56.287 -0.027 0.000 0.935 415 K CB -0.227 32.253 32.500 -0.032 0.000 0.715 415 K HN 0.458 nan 8.250 nan 0.000 0.439 416 R N 0.817 121.299 120.500 -0.029 0.000 2.081 416 R HA -0.098 4.289 4.340 0.078 0.000 0.235 416 R C 2.247 178.557 176.300 0.016 0.000 1.131 416 R CA 1.474 57.579 56.100 0.010 0.000 0.960 416 R CB -0.292 30.049 30.300 0.068 0.000 0.856 416 R HN 0.215 nan 8.270 nan 0.000 0.436 417 I N 1.111 121.598 120.570 -0.138 0.000 2.208 417 I HA -0.308 3.909 4.170 0.078 0.000 0.245 417 I C 2.658 178.472 176.117 -0.505 0.000 1.097 417 I CA 1.560 62.558 61.300 -0.504 0.000 1.363 417 I CB -0.301 37.372 38.000 -0.544 0.000 1.051 417 I HN 0.280 nan 8.210 nan 0.000 0.413 418 K N 0.315 120.582 120.400 -0.221 0.000 2.097 418 K HA -0.259 4.108 4.320 0.078 0.000 0.206 418 K C 2.354 178.941 176.600 -0.021 0.000 1.049 418 K CA 1.520 57.736 56.287 -0.118 0.000 0.933 418 K CB -0.278 32.201 32.500 -0.036 0.000 0.717 418 K HN 0.206 nan 8.250 nan 0.000 0.442 419 Y N 1.154 121.394 120.300 -0.098 0.000 2.070 419 Y HA -0.318 4.281 4.550 0.082 0.000 0.280 419 Y C 2.058 177.953 175.900 -0.008 0.000 1.148 419 Y CA 2.459 60.536 58.100 -0.038 0.000 1.125 419 Y CB -0.528 37.815 38.460 -0.194 0.000 0.975 419 Y HN 0.268 nan 8.280 nan 0.000 0.492 420 H N -1.079 118.118 119.070 0.210 0.000 2.352 420 H HA -0.175 4.438 4.556 0.095 0.000 0.299 420 H C 2.101 177.439 175.328 0.017 0.000 1.097 420 H CA 1.723 57.858 56.048 0.145 0.000 1.311 420 H CB -0.354 29.452 29.762 0.074 0.000 1.377 420 H HN 0.393 nan 8.280 nan 0.000 0.504 421 N N 0.202 118.823 118.700 -0.132 0.000 2.069 421 N HA -0.161 4.626 4.740 0.078 0.000 0.191 421 N C 1.254 176.841 175.510 0.129 0.000 1.031 421 N CA 1.867 54.966 53.050 0.082 0.000 0.852 421 N CB -0.029 38.452 38.487 -0.011 0.000 1.018 421 N HN 0.238 nan 8.380 nan 0.000 0.423 422 D N -1.149 119.292 120.400 0.068 0.000 2.123 422 D HA -0.086 4.601 4.640 0.078 0.000 0.200 422 D C 1.586 177.894 176.300 0.014 0.000 0.976 422 D CA 0.894 54.908 54.000 0.024 0.000 0.831 422 D CB -0.438 40.352 40.800 -0.016 0.000 0.974 422 D HN 0.375 nan 8.370 nan 0.000 0.469 423 Y N 0.885 121.117 120.300 -0.113 0.000 2.200 423 Y HA -0.037 4.523 4.550 0.016 0.000 0.290 423 Y C 2.398 178.345 175.900 0.079 0.000 1.137 423 Y CA 0.646 58.718 58.100 -0.046 0.000 1.163 423 Y CB -0.464 37.934 38.460 -0.103 0.000 0.988 423 Y HN -0.059 nan 8.280 nan 0.000 0.518 424 L N -1.225 120.159 121.223 0.269 0.000 2.141 424 L HA -0.210 4.177 4.340 0.078 0.000 0.209 424 L C 2.253 179.254 176.870 0.218 0.000 1.094 424 L CA 1.510 56.500 54.840 0.250 0.000 0.763 424 L CB -0.740 41.480 42.059 0.269 0.000 0.908 424 L HN 0.186 nan 8.230 nan 0.000 0.437 425 T N -0.611 114.017 114.554 0.123 0.000 2.746 425 T HA -0.161 4.236 4.350 0.078 0.000 0.267 425 T C 1.608 176.286 174.700 -0.038 0.000 1.039 425 T CA 1.731 63.841 62.100 0.016 0.000 1.142 425 T CB -0.292 68.583 68.868 0.011 0.000 0.866 425 T HN 0.344 nan 8.240 nan 0.000 0.444 426 N N 0.821 119.503 118.700 -0.029 0.000 2.120 426 N HA -0.037 4.750 4.740 0.078 0.000 0.188 426 N C 1.624 177.116 175.510 -0.030 0.000 1.024 426 N CA 0.628 53.640 53.050 -0.064 0.000 0.852 426 N CB -0.347 38.067 38.487 -0.122 0.000 1.003 426 N HN 0.121 nan 8.380 nan 0.000 0.424 427 L N 0.827 122.086 121.223 0.059 0.000 2.012 427 L HA -0.075 4.312 4.340 0.078 0.000 0.210 427 L C 2.023 178.906 176.870 0.022 0.000 1.073 427 L CA 1.596 56.509 54.840 0.122 0.000 0.748 427 L CB -0.893 41.340 42.059 0.291 0.000 0.891 427 L HN 0.176 nan 8.230 nan 0.000 0.431 428 A N -0.766 121.977 122.820 -0.129 0.000 1.933 428 A HA -0.115 4.252 4.320 0.078 0.000 0.218 428 A C 2.419 179.823 177.584 -0.300 0.000 1.175 428 A CA 1.800 53.522 52.037 -0.524 0.000 0.628 428 A CB -1.085 17.368 19.000 -0.912 0.000 0.814 428 A HN 0.564 nan 8.150 nan 0.000 0.444 429 A N 0.219 122.926 122.820 -0.187 0.000 1.930 429 A HA -0.047 4.320 4.320 0.078 0.000 0.217 429 A C 2.493 180.017 177.584 -0.101 0.000 1.175 429 A CA 2.106 54.061 52.037 -0.136 0.000 0.627 429 A CB -0.942 17.994 19.000 -0.108 0.000 0.815 429 A HN 1.028 nan 8.150 nan 0.000 0.443 430 S N 0.034 115.686 115.700 -0.080 0.000 2.399 430 S HA -0.137 4.380 4.470 0.078 0.000 0.231 430 S C 1.825 176.400 174.600 -0.041 0.000 1.022 430 S CA 1.548 59.715 58.200 -0.056 0.000 0.983 430 S CB -0.657 62.519 63.200 -0.041 0.000 0.803 430 S HN 0.483 nan 8.310 nan 0.000 0.480 431 I N 1.199 121.739 120.570 -0.051 0.000 2.296 431 I HA 0.013 4.230 4.170 0.078 0.000 0.242 431 I C 2.811 178.892 176.117 -0.060 0.000 1.087 431 I CA 1.269 62.547 61.300 -0.036 0.000 1.393 431 I CB -0.259 37.720 38.000 -0.035 0.000 1.093 431 I HN 0.267 nan 8.210 nan 0.000 0.421 432 K N 0.985 121.321 120.400 -0.106 0.000 2.062 432 K HA -0.126 4.241 4.320 0.078 0.000 0.205 432 K C 1.916 178.474 176.600 -0.071 0.000 1.051 432 K CA 1.421 57.648 56.287 -0.098 0.000 0.941 432 K CB 0.146 32.560 32.500 -0.143 0.000 0.719 432 K HN 0.294 nan 8.250 nan 0.000 0.440 433 E N -0.228 119.928 120.200 -0.073 0.000 2.140 433 E HA -0.070 4.327 4.350 0.078 0.000 0.191 433 E C 0.912 177.487 176.600 -0.042 0.000 0.973 433 E CA 0.812 57.178 56.400 -0.056 0.000 0.829 433 E CB 0.331 29.994 29.700 -0.060 0.000 0.781 433 E HN 0.291 nan 8.360 nan 0.000 0.466 434 D N -0.992 119.382 120.400 -0.043 0.000 2.379 434 D HA 0.097 4.784 4.640 0.078 0.000 0.208 434 D C 0.946 177.233 176.300 -0.022 0.000 1.065 434 D CA 0.672 54.652 54.000 -0.033 0.000 0.848 434 D CB 1.088 41.864 40.800 -0.041 0.000 0.949 434 D HN 0.251 nan 8.370 nan 0.000 0.509 435 G N 0.837 109.625 108.800 -0.019 0.000 2.147 435 G HA2 -0.304 3.703 3.960 0.078 0.000 0.244 435 G HA3 -0.304 3.703 3.960 0.078 0.000 0.244 435 G C 0.432 175.336 174.900 0.006 0.000 1.005 435 G CA 0.082 45.178 45.100 -0.006 0.000 0.713 435 G HN 0.373 nan 8.290 nan 0.000 0.515 436 C N 0.648 119.953 119.300 0.007 0.000 2.637 436 C HA 0.415 4.922 4.460 0.078 0.000 0.418 436 C C 0.952 175.970 174.990 0.046 0.000 1.319 436 C CA -0.219 58.814 59.018 0.025 0.000 1.949 436 C CB 0.952 28.706 27.740 0.024 0.000 2.639 436 C HN 0.510 nan 8.230 nan 0.000 0.594 437 D N 2.622 123.054 120.400 0.052 0.000 2.619 437 D HA 0.241 4.928 4.640 0.078 0.000 0.224 437 D C -0.264 176.065 176.300 0.048 0.000 1.133 437 D CA 0.102 54.135 54.000 0.054 0.000 1.017 437 D CB 0.105 40.937 40.800 0.054 0.000 1.077 437 D HN 0.306 nan 8.370 nan 0.000 0.503 438 V N 4.294 124.259 119.914 0.086 0.000 2.439 438 V HA 0.353 4.520 4.120 0.078 0.000 0.282 438 V C 1.405 177.533 176.094 0.056 0.000 1.039 438 V CA -0.630 61.728 62.300 0.096 0.000 0.913 438 V CB 1.723 33.693 31.823 0.244 0.000 0.983 438 V HN 0.308 nan 8.190 nan 0.000 0.460 439 R N 2.675 122.943 120.500 -0.387 0.000 2.307 439 R HA 0.418 4.805 4.340 0.078 0.000 0.200 439 R C 0.603 176.214 176.300 -1.149 0.000 0.893 439 R CA 0.583 56.278 56.100 -0.675 0.000 1.042 439 R CB 1.286 30.969 30.300 -1.029 0.000 1.059 439 R HN 0.845 nan 8.270 nan 0.000 0.530 440 G N -0.178 107.872 108.800 -1.250 0.000 2.451 440 G HA2 0.373 4.380 3.960 0.078 0.000 0.292 440 G HA3 0.373 4.380 3.960 0.078 0.000 0.292 440 G C -2.287 172.276 174.900 -0.561 0.000 1.427 440 G CA -0.580 43.710 45.100 -1.350 0.000 0.792 440 G HN 0.038 nan 8.290 nan 0.000 0.498 441 Y N -0.329 119.554 120.300 -0.695 0.000 2.442 441 Y HA 0.711 5.304 4.550 0.071 0.000 0.330 441 Y C -2.040 173.661 175.900 -0.332 0.000 1.100 441 Y CA -1.301 56.680 58.100 -0.198 0.000 1.034 441 Y CB 1.706 40.152 38.460 -0.023 0.000 1.285 441 Y HN 0.480 nan 8.280 nan 0.000 0.440 442 F N 4.797 124.472 119.950 -0.458 0.000 2.477 442 F HA 0.749 5.321 4.527 0.076 0.000 0.335 442 F C 0.164 175.747 175.800 -0.363 0.000 1.130 442 F CA -0.806 57.014 58.000 -0.299 0.000 0.948 442 F CB 1.878 40.736 39.000 -0.237 0.000 1.154 442 F HN 0.676 nan 8.300 nan 0.000 0.439 443 A N 4.054 126.858 122.820 -0.026 0.000 2.409 443 A HA 0.189 4.556 4.320 0.078 0.000 0.262 443 A C -0.849 176.863 177.584 0.213 0.000 1.113 443 A CA -0.434 51.681 52.037 0.130 0.000 0.790 443 A CB 0.324 19.333 19.000 0.015 0.000 1.046 443 A HN 0.874 nan 8.150 nan 0.000 0.496 444 W N 3.631 125.036 121.300 0.175 0.000 2.332 444 W HA 0.496 5.199 4.660 0.071 0.000 0.306 444 W C -0.382 176.332 176.519 0.325 0.000 1.149 444 W CA 0.045 57.504 57.345 0.189 0.000 1.271 444 W CB 1.369 30.918 29.460 0.148 0.000 1.243 444 W HN 0.683 nan 8.180 nan 0.000 0.459 445 S N 3.840 119.445 115.700 -0.159 0.000 2.661 445 S HA 0.290 4.807 4.470 0.078 0.000 0.285 445 S C 0.341 174.860 174.600 -0.135 0.000 1.138 445 S CA -0.720 57.123 58.200 -0.596 0.000 0.855 445 S CB 1.491 63.861 63.200 -1.384 0.000 1.136 445 S HN 0.521 nan 8.310 nan 0.000 0.484 446 L N 2.250 123.459 121.223 -0.022 0.000 2.046 446 L HA 0.385 4.772 4.340 0.078 0.000 0.208 446 L C -0.181 176.815 176.870 0.209 0.000 1.077 446 L CA 1.898 56.829 54.840 0.150 0.000 0.747 446 L CB -0.315 41.878 42.059 0.223 0.000 0.896 446 L HN 0.590 nan 8.230 nan 0.000 0.432 447 L N -0.479 120.832 121.223 0.146 0.000 2.354 447 L HA 0.376 4.763 4.340 0.078 0.000 0.264 447 L C -0.652 176.165 176.870 -0.088 0.000 1.008 447 L CA -1.312 53.538 54.840 0.017 0.000 0.819 447 L CB 1.422 43.393 42.059 -0.145 0.000 1.339 447 L HN -0.161 nan 8.230 nan 0.000 0.420 448 D N 1.882 122.248 120.400 -0.056 0.000 2.478 448 D HA 0.150 4.837 4.640 0.078 0.000 0.234 448 D C -0.417 175.852 176.300 -0.053 0.000 1.154 448 D CA 0.780 54.770 54.000 -0.017 0.000 0.874 448 D CB 0.514 41.260 40.800 -0.090 0.000 1.198 448 D HN 0.696 nan 8.370 nan 0.000 0.455 449 N N -0.887 117.860 118.700 0.078 0.000 3.364 449 N HA 0.288 5.075 4.740 0.078 0.000 0.294 449 N C -1.818 173.765 175.510 0.122 0.000 1.562 449 N CA -1.033 52.027 53.050 0.017 0.000 0.862 449 N CB 0.348 38.624 38.487 -0.352 0.000 1.691 449 N HN 0.412 nan 8.380 nan 0.000 0.572 450 W N 1.038 122.190 121.300 -0.247 0.000 2.416 450 W HA 0.387 5.096 4.660 0.082 0.000 0.318 450 W C 0.018 176.234 176.519 -0.505 0.000 1.150 450 W CA -0.317 56.677 57.345 -0.585 0.000 1.392 450 W CB 0.769 29.819 29.460 -0.684 0.000 1.311 450 W HN 0.706 nan 8.180 nan 0.000 0.436 451 E N 6.857 126.675 120.200 -0.636 0.000 2.392 451 E HA 0.145 4.542 4.350 0.078 0.000 0.307 451 E C 0.074 176.296 176.600 -0.629 0.000 1.505 451 E CA -0.016 56.113 56.400 -0.451 0.000 1.716 451 E CB -0.691 28.997 29.700 -0.019 0.000 1.450 451 E HN 0.511 nan 8.360 nan 0.000 0.484 452 W N 0.630 121.318 121.300 -1.019 0.000 1.922 452 W HA -0.468 4.237 4.660 0.075 0.000 0.275 452 W C 1.767 177.749 176.519 -0.894 0.000 1.129 452 W CA 0.795 57.520 57.345 -1.034 0.000 1.077 452 W CB -1.674 27.549 29.460 -0.394 0.000 0.883 452 W HN 0.291 nan 8.180 nan 0.000 0.546 453 A N 0.434 123.312 122.820 0.097 0.000 2.121 453 A HA 0.252 4.619 4.320 0.078 0.000 0.218 453 A C 1.780 179.289 177.584 -0.125 0.000 1.154 453 A CA 2.397 54.478 52.037 0.073 0.000 0.679 453 A CB -1.146 17.986 19.000 0.221 0.000 0.795 453 A HN 1.077 nan 8.150 nan 0.000 0.458 454 A N -1.151 121.570 122.820 -0.165 0.000 2.167 454 A HA 0.411 4.778 4.320 0.078 0.000 0.214 454 A C 1.889 179.286 177.584 -0.313 0.000 1.151 454 A CA 1.381 53.323 52.037 -0.158 0.000 0.735 454 A CB -1.100 17.882 19.000 -0.031 0.000 0.802 454 A HN 1.827 nan 8.150 nan 0.000 0.467 455 G N -0.671 107.727 108.800 -0.670 0.000 2.614 455 G HA2 -0.380 3.627 3.960 0.078 0.000 0.303 455 G HA3 -0.380 3.627 3.960 0.078 0.000 0.303 455 G C 0.485 174.947 174.900 -0.729 0.000 1.270 455 G CA 0.894 45.447 45.100 -0.912 0.000 0.988 455 G HN 0.621 nan 8.290 nan 0.000 0.551 456 Y N 1.871 122.082 120.300 -0.149 0.000 2.462 456 Y HA 0.310 4.907 4.550 0.077 0.000 0.293 456 Y C 2.773 178.619 175.900 -0.090 0.000 1.195 456 Y CA 0.881 58.872 58.100 -0.182 0.000 1.276 456 Y CB 0.286 38.484 38.460 -0.436 0.000 1.082 456 Y HN 0.525 nan 8.280 nan 0.000 0.514 457 S N -1.661 114.039 115.700 0.000 0.000 2.561 457 S HA 0.010 4.527 4.470 0.078 0.000 0.225 457 S C 0.774 175.382 174.600 0.014 0.000 0.977 457 S CA 0.089 58.299 58.200 0.017 0.000 0.926 457 S CB 0.065 63.258 63.200 -0.011 0.000 0.769 457 S HN 0.153 nan 8.310 nan 0.000 0.533 458 S N 0.957 116.672 115.700 0.024 0.000 2.561 458 S HA 0.555 5.072 4.470 0.078 0.000 0.303 458 S C -0.940 173.699 174.600 0.066 0.000 1.110 458 S CA -0.868 57.336 58.200 0.008 0.000 1.034 458 S CB 0.925 64.172 63.200 0.078 0.000 1.010 458 S HN 0.427 nan 8.310 nan 0.000 0.482 459 R N 3.951 124.434 120.500 -0.029 0.000 2.287 459 R HA 0.343 4.730 4.340 0.078 0.000 0.316 459 R C -0.633 175.654 176.300 -0.022 0.000 1.050 459 R CA -0.206 55.915 56.100 0.036 0.000 0.983 459 R CB 0.452 30.777 30.300 0.040 0.000 1.140 459 R HN 0.687 nan 8.270 nan 0.000 0.528 460 F N 0.269 120.272 119.950 0.088 0.000 2.727 460 F HA 0.201 4.773 4.527 0.075 0.000 0.302 460 F C 1.681 177.512 175.800 0.052 0.000 1.097 460 F CA -0.204 57.865 58.000 0.115 0.000 1.330 460 F CB 0.816 39.979 39.000 0.272 0.000 1.084 460 F HN 0.508 nan 8.300 nan 0.000 0.578 461 G N 0.057 108.964 108.800 0.178 0.000 2.476 461 G HA2 0.302 4.309 3.960 0.078 0.000 0.269 461 G HA3 0.302 4.309 3.960 0.078 0.000 0.269 461 G C 0.900 175.882 174.900 0.137 0.000 1.195 461 G CA -0.504 44.670 45.100 0.122 0.000 0.843 461 G HN 0.184 nan 8.290 nan 0.000 0.545 462 L N -0.160 121.134 121.223 0.119 0.000 2.156 462 L HA 0.056 4.443 4.340 0.078 0.000 0.208 462 L C 0.264 177.072 176.870 -0.103 0.000 1.095 462 L CA 0.716 55.577 54.840 0.035 0.000 0.770 462 L CB -0.312 41.736 42.059 -0.019 0.000 0.914 462 L HN 0.381 nan 8.230 nan 0.000 0.439 463 Y N -1.198 119.150 120.300 0.079 0.000 2.330 463 Y HA 0.277 4.875 4.550 0.081 0.000 0.336 463 Y C 0.029 175.995 175.900 0.110 0.000 1.036 463 Y CA -1.139 57.020 58.100 0.098 0.000 1.125 463 Y CB 1.102 39.588 38.460 0.043 0.000 1.194 463 Y HN -0.185 nan 8.280 nan 0.000 0.469 464 F N 3.477 123.518 119.950 0.151 0.000 2.443 464 F HA 0.504 5.076 4.527 0.075 0.000 0.353 464 F C -0.641 175.185 175.800 0.044 0.000 1.101 464 F CA -0.543 57.504 58.000 0.078 0.000 1.226 464 F CB 0.503 39.546 39.000 0.070 0.000 1.140 464 F HN 0.149 nan 8.300 nan 0.000 0.557 465 V N 5.664 125.116 119.914 -0.771 0.000 2.384 465 V HA 0.151 4.318 4.120 0.078 0.000 0.287 465 V C -0.628 174.807 176.094 -1.099 0.000 1.020 465 V CA -0.861 60.986 62.300 -0.755 0.000 0.850 465 V CB 1.306 32.663 31.823 -0.777 0.000 0.987 465 V HN 0.621 nan 8.190 nan 0.000 0.436 466 D N 3.687 123.859 120.400 -0.380 0.000 2.402 466 D HA 0.159 4.846 4.640 0.078 0.000 0.235 466 D C 0.514 176.664 176.300 -0.249 0.000 1.226 466 D CA -0.059 53.870 54.000 -0.118 0.000 0.918 466 D CB 0.640 41.622 40.800 0.303 0.000 1.043 466 D HN 0.497 nan 8.370 nan 0.000 0.506 467 Y N 2.111 122.330 120.300 -0.135 0.000 2.497 467 Y HA -0.021 4.575 4.550 0.077 0.000 0.292 467 Y C 1.937 177.773 175.900 -0.105 0.000 1.137 467 Y CA 0.752 58.744 58.100 -0.181 0.000 1.285 467 Y CB 0.060 38.347 38.460 -0.290 0.000 0.991 467 Y HN 0.282 nan 8.280 nan 0.000 0.556 468 K N -0.449 119.997 120.400 0.077 0.000 2.387 468 K HA 0.015 4.382 4.320 0.078 0.000 0.198 468 K C -0.072 176.554 176.600 0.042 0.000 1.022 468 K CA 0.383 56.703 56.287 0.054 0.000 1.128 468 K CB 0.348 32.883 32.500 0.058 0.000 0.853 468 K HN -0.002 nan 8.250 nan 0.000 0.523 469 D N 0.589 121.012 120.400 0.038 0.000 2.945 469 D HA 0.039 4.726 4.640 0.078 0.000 0.340 469 D C -0.774 175.526 176.300 -0.001 0.000 1.240 469 D CA -0.337 53.683 54.000 0.034 0.000 0.749 469 D CB -0.499 40.349 40.800 0.081 0.000 1.217 469 D HN -0.025 nan 8.370 nan 0.000 0.514 470 N N 2.126 120.818 118.700 -0.014 0.000 2.727 470 N HA -0.247 4.540 4.740 0.078 0.000 0.249 470 N C -0.013 175.463 175.510 -0.057 0.000 1.048 470 N CA 1.077 54.107 53.050 -0.033 0.000 0.714 470 N CB -1.403 37.062 38.487 -0.036 0.000 0.959 470 N HN 0.583 nan 8.380 nan 0.000 0.544 471 L N -3.674 117.505 121.223 -0.074 0.000 3.865 471 L HA -0.342 4.045 4.340 0.078 0.000 0.408 471 L C 0.646 177.427 176.870 -0.149 0.000 1.209 471 L CA 1.203 55.962 54.840 -0.135 0.000 0.940 471 L CB -1.725 40.280 42.059 -0.090 0.000 1.971 471 L HN 0.481 nan 8.230 nan 0.000 0.899 472 K N 1.237 121.565 120.400 -0.119 0.000 2.484 472 K HA 0.230 4.597 4.320 0.078 0.000 0.280 472 K C 0.460 176.949 176.600 -0.185 0.000 1.013 472 K CA -0.053 56.130 56.287 -0.173 0.000 1.029 472 K CB 0.491 32.881 32.500 -0.184 0.000 0.902 472 K HN 0.061 nan 8.250 nan 0.000 0.481 473 R N 2.974 123.337 120.500 -0.228 0.000 2.297 473 R HA 0.270 4.657 4.340 0.078 0.000 0.308 473 R C -1.233 175.000 176.300 -0.111 0.000 1.029 473 R CA -0.132 55.908 56.100 -0.099 0.000 0.929 473 R CB 0.684 30.897 30.300 -0.145 0.000 1.046 473 R HN 0.447 nan 8.270 nan 0.000 0.461 474 Y N 3.202 123.654 120.300 0.252 0.000 2.409 474 Y HA 0.393 4.990 4.550 0.078 0.000 0.343 474 Y C -1.955 174.104 175.900 0.265 0.000 0.973 474 Y CA -2.806 55.430 58.100 0.226 0.000 1.064 474 Y CB 2.030 40.571 38.460 0.135 0.000 1.207 474 Y HN 0.516 nan 8.280 nan 0.000 0.452 475 P HA 0.130 nan 4.420 nan 0.000 0.276 475 P C -0.861 176.419 177.300 -0.034 0.000 1.243 475 P CA -0.360 62.693 63.100 -0.078 0.000 0.768 475 P CB 1.054 32.709 31.700 -0.075 0.000 0.856 476 K N 2.533 122.879 120.400 -0.089 0.000 2.120 476 K HA 0.142 4.509 4.320 0.078 0.000 0.245 476 K C 1.478 178.058 176.600 -0.033 0.000 1.024 476 K CA -0.542 55.728 56.287 -0.028 0.000 0.906 476 K CB 0.223 32.735 32.500 0.020 0.000 1.051 476 K HN 0.259 nan 8.250 nan 0.000 0.491 477 N N 0.620 119.319 118.700 -0.002 0.000 2.272 477 N HA -0.158 4.629 4.740 0.078 0.000 0.185 477 N C 1.558 177.117 175.510 0.082 0.000 1.014 477 N CA 1.507 54.573 53.050 0.026 0.000 0.870 477 N CB -0.412 38.086 38.487 0.019 0.000 0.975 477 N HN 0.564 nan 8.380 nan 0.000 0.433 478 S N -0.348 115.407 115.700 0.093 0.000 2.419 478 S HA -0.078 4.439 4.470 0.078 0.000 0.235 478 S C 2.105 176.889 174.600 0.307 0.000 1.019 478 S CA 0.790 59.119 58.200 0.215 0.000 0.982 478 S CB -0.713 62.630 63.200 0.239 0.000 0.789 478 S HN 0.047 nan 8.310 nan 0.000 0.490 479 V N 1.928 121.899 119.914 0.095 0.000 2.287 479 V HA -0.182 3.985 4.120 0.078 0.000 0.248 479 V C 3.034 179.195 176.094 0.113 0.000 1.053 479 V CA 1.975 64.287 62.300 0.020 0.000 1.027 479 V CB -0.757 30.909 31.823 -0.262 0.000 0.646 479 V HN 0.477 nan 8.190 nan 0.000 0.447 480 Q N -1.752 118.103 119.800 0.092 0.000 2.167 480 Q HA -0.227 4.160 4.340 0.078 0.000 0.202 480 Q C 1.899 177.956 176.000 0.095 0.000 0.970 480 Q CA 1.740 57.590 55.803 0.078 0.000 0.855 480 Q CB -0.359 28.414 28.738 0.059 0.000 0.911 480 Q HN 0.850 nan 8.270 nan 0.000 0.438 481 W N 0.278 121.563 121.300 -0.025 0.000 2.379 481 W HA -0.171 4.553 4.660 0.106 0.000 0.307 481 W C 1.702 178.122 176.519 -0.165 0.000 1.200 481 W CA 1.276 58.559 57.345 -0.104 0.000 1.297 481 W CB -0.524 28.851 29.460 -0.141 0.000 1.140 481 W HN 0.044 nan 8.180 nan 0.000 0.507 482 F N 0.838 120.848 119.950 0.099 0.000 2.134 482 F HA -0.164 4.410 4.527 0.079 0.000 0.299 482 F C 2.619 178.282 175.800 -0.229 0.000 1.097 482 F CA 2.146 60.073 58.000 -0.122 0.000 1.264 482 F CB -0.745 38.266 39.000 0.019 0.000 1.001 482 F HN -0.219 nan 8.300 nan 0.000 0.479 483 K N 0.525 120.953 120.400 0.046 0.000 2.032 483 K HA -0.229 4.138 4.320 0.078 0.000 0.209 483 K C 2.242 178.766 176.600 -0.127 0.000 1.048 483 K CA 1.408 57.679 56.287 -0.027 0.000 0.927 483 K CB -0.350 32.153 32.500 0.004 0.000 0.712 483 K HN 0.222 nan 8.250 nan 0.000 0.441 484 A N 1.237 123.943 122.820 -0.191 0.000 1.902 484 A HA -0.155 4.212 4.320 0.078 0.000 0.217 484 A C 2.064 179.444 177.584 -0.341 0.000 1.181 484 A CA 1.410 53.302 52.037 -0.242 0.000 0.623 484 A CB -0.643 18.204 19.000 -0.254 0.000 0.818 484 A HN 0.414 nan 8.150 nan 0.000 0.443 485 L N -0.359 120.536 121.223 -0.547 0.000 2.042 485 L HA -0.095 4.292 4.340 0.078 0.000 0.210 485 L C 1.934 178.551 176.870 -0.422 0.000 1.076 485 L CA 1.839 56.309 54.840 -0.617 0.000 0.749 485 L CB -0.279 41.191 42.059 -0.981 0.000 0.893 485 L HN 0.393 nan 8.230 nan 0.000 0.432 486 L N -1.106 119.916 121.223 -0.336 0.000 2.592 486 L HA 0.073 4.460 4.340 0.078 0.000 0.227 486 L C 0.845 177.633 176.870 -0.137 0.000 1.127 486 L CA -0.238 54.451 54.840 -0.252 0.000 0.884 486 L CB -0.367 41.572 42.059 -0.199 0.000 1.065 486 L HN 0.059 nan 8.230 nan 0.000 0.457 487 K N 0.830 121.151 120.400 -0.132 0.000 2.489 487 K HA 0.087 4.454 4.320 0.078 0.000 0.278 487 K C 0.052 176.616 176.600 -0.059 0.000 1.000 487 K CA 0.408 56.646 56.287 -0.083 0.000 1.012 487 K CB 0.627 33.077 32.500 -0.084 0.000 0.903 487 K HN -0.002 nan 8.250 nan 0.000 0.485 488 T N 0.000 114.534 114.554 -0.033 0.000 3.816 488 T HA 0.000 4.397 4.350 0.078 0.000 0.228 488 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 488 T CB 0.000 68.870 68.868 0.003 0.000 0.612 488 T HN 0.000 nan 8.240 nan 0.000 0.658