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 2z4v_1_A DATA FIRST_RESID 4 DATA SEQUENCE NKMEAKIDEL INNDPVWSSQ NESLISKPYN HILLKPGKNF RLNLIVQINR DATA SEQUENCE VMNLPKDQLA IVSQIVELLH NSSLLIDDIE DNAPLRRGQT TSHLIFGVPS DATA SEQUENCE TINTANYMYF RAMQLVSQLT TKEPLYHNLI TIFNEELINL HRGQGLDIYW DATA SEQUENCE RDFLPEIIPT QEMYLNMVMN KTGGLFRLTL RLMEALSPSX XHGHSLVPFI DATA SEQUENCE NLLGIIYQIR DDYLNLKDFQ XXXXXXFAED ITEGKLSFPI VHALNFTKTK DATA SEQUENCE GQTEQHNEIL RILLLRTSDK DIKLKLIQIL EFDTNSLAYT KNFINQLVNM DATA SEQUENCE IKNDNENKYL PXXXXXXXXX XXXXXELLYI IDHLSE 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.510 175.510 0.001 0.000 1.280 4 N CA 0.000 53.050 53.050 0.001 0.000 0.885 4 N CB 0.000 38.487 38.487 0.001 0.000 1.341 5 K N 1.752 122.152 120.400 0.001 0.000 2.148 5 K HA 0.183 4.503 4.320 -0.000 0.000 0.204 5 K C 1.927 178.527 176.600 0.001 0.000 1.050 5 K CA 0.928 57.216 56.287 0.001 0.000 0.942 5 K CB -0.053 32.447 32.500 0.001 0.000 0.724 5 K HN 0.116 nan 8.250 nan 0.000 0.446 6 M N 0.527 120.128 119.600 0.001 0.000 2.086 6 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 6 M C 1.591 177.892 176.300 0.002 0.000 1.067 6 M CA 1.876 57.177 55.300 0.001 0.000 1.116 6 M CB -0.275 32.326 32.600 0.001 0.000 1.348 6 M HN 0.246 nan 8.290 nan 0.000 0.407 7 E N -0.213 119.988 120.200 0.001 0.000 2.077 7 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 7 E C 1.933 178.534 176.600 0.001 0.000 0.989 7 E CA 1.260 57.660 56.400 0.001 0.000 0.800 7 E CB -0.079 29.621 29.700 0.001 0.000 0.746 7 E HN 0.621 nan 8.360 nan 0.000 0.452 8 A N 1.340 124.161 122.820 0.001 0.000 1.902 8 A HA -0.243 4.077 4.320 -0.000 0.000 0.217 8 A C 1.936 179.521 177.584 0.002 0.000 1.181 8 A CA 1.642 53.680 52.037 0.002 0.000 0.623 8 A CB -0.277 18.723 19.000 0.001 0.000 0.818 8 A HN 0.060 nan 8.150 nan 0.000 0.443 9 K N -0.629 119.772 120.400 0.002 0.000 2.057 9 K HA -0.004 4.316 4.320 -0.000 0.000 0.206 9 K C 1.785 178.387 176.600 0.004 0.000 1.050 9 K CA 1.148 57.437 56.287 0.003 0.000 0.935 9 K CB -0.213 32.289 32.500 0.003 0.000 0.715 9 K HN 0.345 nan 8.250 nan 0.000 0.439 10 I N 1.783 122.355 120.570 0.003 0.000 2.226 10 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 10 I C 2.090 178.209 176.117 0.003 0.000 1.100 10 I CA 1.617 62.919 61.300 0.003 0.000 1.374 10 I CB -0.978 37.024 38.000 0.002 0.000 1.057 10 I HN 0.233 nan 8.210 nan 0.000 0.413 11 D N 0.643 121.044 120.400 0.002 0.000 2.123 11 D HA -0.263 4.377 4.640 -0.000 0.000 0.196 11 D C 2.212 178.514 176.300 0.003 0.000 0.992 11 D CA 1.463 55.464 54.000 0.002 0.000 0.833 11 D CB 0.060 40.861 40.800 0.002 0.000 0.954 11 D HN 0.373 nan 8.370 nan 0.000 0.455 12 E N -0.764 119.438 120.200 0.004 0.000 2.051 12 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 12 E C 2.126 178.730 176.600 0.006 0.000 0.991 12 E CA 0.631 57.034 56.400 0.005 0.000 0.799 12 E CB -0.167 29.536 29.700 0.005 0.000 0.748 12 E HN 0.303 nan 8.360 nan 0.000 0.449 13 L N 1.681 122.908 121.223 0.007 0.000 1.989 13 L HA -0.167 4.173 4.340 -0.000 0.000 0.211 13 L C 2.397 179.271 176.870 0.008 0.000 1.071 13 L CA 1.902 56.748 54.840 0.009 0.000 0.749 13 L CB -0.547 41.517 42.059 0.009 0.000 0.890 13 L HN 0.414 nan 8.230 nan 0.000 0.431 14 I N -3.491 117.082 120.570 0.005 0.000 3.001 14 I HA -0.082 4.088 4.170 -0.000 0.000 0.268 14 I C 1.230 177.349 176.117 0.002 0.000 1.267 14 I CA 1.097 62.399 61.300 0.003 0.000 1.472 14 I CB -0.606 37.395 38.000 0.001 0.000 1.089 14 I HN 0.285 nan 8.210 nan 0.000 0.468 15 N N 1.693 120.395 118.700 0.004 0.000 2.235 15 N HA 0.182 4.922 4.740 -0.000 0.000 0.209 15 N C -0.445 175.068 175.510 0.005 0.000 1.122 15 N CA 0.083 53.135 53.050 0.003 0.000 0.845 15 N CB 0.269 38.758 38.487 0.003 0.000 1.004 15 N HN 0.493 nan 8.380 nan 0.000 0.499 16 N N 0.472 119.176 118.700 0.007 0.000 2.321 16 N HA 0.182 4.922 4.740 -0.000 0.000 0.290 16 N C -1.032 174.485 175.510 0.012 0.000 1.212 16 N CA -0.482 52.574 53.050 0.010 0.000 0.767 16 N CB 1.890 40.385 38.487 0.013 0.000 1.494 16 N HN -0.080 nan 8.380 nan 0.000 0.479 17 D N 1.319 121.728 120.400 0.015 0.000 2.378 17 D HA 0.144 4.784 4.640 -0.000 0.000 0.238 17 D C -1.812 174.505 176.300 0.028 0.000 1.180 17 D CA -0.293 53.718 54.000 0.017 0.000 0.895 17 D CB 0.171 40.984 40.800 0.021 0.000 1.192 17 D HN 0.270 nan 8.370 nan 0.000 0.438 18 P HA 0.020 nan 4.420 nan 0.000 0.268 18 P C -0.388 176.967 177.300 0.091 0.000 1.205 18 P CA -0.244 62.883 63.100 0.045 0.000 0.771 18 P CB 0.522 32.233 31.700 0.019 0.000 0.858 19 V N 4.473 124.453 119.914 0.109 0.000 2.530 19 V HA 0.208 4.328 4.120 -0.000 0.000 0.282 19 V C 0.041 176.294 176.094 0.266 0.000 1.048 19 V CA -0.003 62.377 62.300 0.134 0.000 0.997 19 V CB 0.529 32.399 31.823 0.078 0.000 0.987 19 V HN 0.663 nan 8.190 nan 0.000 0.477 20 W N 5.175 126.469 121.300 -0.010 0.000 3.036 20 W HA 0.468 5.128 4.660 -0.000 0.000 0.337 20 W C -0.155 176.362 176.519 -0.003 0.000 1.055 20 W CA -0.638 56.700 57.345 -0.012 0.000 1.248 20 W CB 2.246 31.701 29.460 -0.007 0.000 1.335 20 W HN 0.693 nan 8.180 nan 0.000 0.446 21 S N 1.503 116.885 115.700 -0.529 0.000 2.713 21 S HA 0.322 4.792 4.470 -0.000 0.000 0.283 21 S C 1.147 175.476 174.600 -0.453 0.000 1.161 21 S CA 0.125 58.101 58.200 -0.372 0.000 0.999 21 S CB 1.702 64.728 63.200 -0.291 0.000 1.039 21 S HN 0.512 nan 8.310 nan 0.000 0.548 22 S N 0.471 116.042 115.700 -0.215 0.000 2.402 22 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 22 S C 1.585 176.079 174.600 -0.176 0.000 1.021 22 S CA 0.852 58.970 58.200 -0.137 0.000 0.974 22 S CB -0.734 62.432 63.200 -0.057 0.000 0.800 22 S HN 0.691 nan 8.310 nan 0.000 0.484 23 Q N 2.030 121.706 119.800 -0.207 0.000 2.079 23 Q HA 0.085 4.425 4.340 -0.000 0.000 0.200 23 Q C 2.087 177.925 176.000 -0.270 0.000 0.974 23 Q CA 1.471 57.163 55.803 -0.184 0.000 0.840 23 Q CB -0.521 28.123 28.738 -0.158 0.000 0.898 23 Q HN 0.526 nan 8.270 nan 0.000 0.430 24 N N 0.316 118.713 118.700 -0.506 0.000 2.084 24 N HA -0.186 4.554 4.740 -0.000 0.000 0.190 24 N C 1.680 176.892 175.510 -0.497 0.000 1.030 24 N CA 1.348 53.935 53.050 -0.772 0.000 0.849 24 N CB -0.239 37.143 38.487 -1.841 0.000 1.012 24 N HN 0.268 nan 8.380 nan 0.000 0.423 25 E N 0.910 120.866 120.200 -0.406 0.000 2.058 25 E HA -0.059 4.291 4.350 -0.000 0.000 0.194 25 E C 1.835 178.498 176.600 0.105 0.000 0.997 25 E CA 1.444 57.932 56.400 0.147 0.000 0.801 25 E CB -0.276 29.549 29.700 0.210 0.000 0.746 25 E HN 0.146 nan 8.360 nan 0.000 0.450 26 S N -0.035 115.666 115.700 0.003 0.000 2.368 26 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 26 S C 1.921 176.523 174.600 0.003 0.000 1.030 26 S CA 1.239 59.447 58.200 0.014 0.000 0.999 26 S CB -0.341 62.851 63.200 -0.014 0.000 0.844 26 S HN 0.264 nan 8.310 nan 0.000 0.459 27 L N 1.272 122.477 121.223 -0.030 0.000 2.083 27 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 27 L C 2.231 179.097 176.870 -0.008 0.000 1.083 27 L CA 1.162 55.986 54.840 -0.027 0.000 0.752 27 L CB -0.614 41.418 42.059 -0.045 0.000 0.899 27 L HN 0.435 nan 8.230 nan 0.000 0.433 28 I N -4.564 116.035 120.570 0.048 0.000 3.564 28 I HA 0.017 4.187 4.170 -0.000 0.000 0.294 28 I C 1.630 177.788 176.117 0.068 0.000 1.289 28 I CA 0.510 61.846 61.300 0.062 0.000 1.325 28 I CB 0.046 38.109 38.000 0.106 0.000 1.039 28 I HN -0.021 nan 8.210 nan 0.000 0.474 29 S N 0.996 116.743 115.700 0.077 0.000 2.575 29 S HA 0.127 4.597 4.470 -0.000 0.000 0.215 29 S C 1.612 176.216 174.600 0.006 0.000 0.966 29 S CA -0.030 58.233 58.200 0.105 0.000 0.911 29 S CB -0.087 63.198 63.200 0.142 0.000 0.780 29 S HN 0.465 nan 8.310 nan 0.000 0.514 30 K N 1.836 122.138 120.400 -0.164 0.000 2.059 30 K HA -0.155 4.165 4.320 -0.000 0.000 0.212 30 K C -0.968 175.292 176.600 -0.566 0.000 1.050 30 K CA 1.682 57.709 56.287 -0.434 0.000 0.927 30 K CB -1.271 30.752 32.500 -0.796 0.000 0.714 30 K HN 0.270 nan 8.250 nan 0.000 0.447 31 P HA -0.176 nan 4.420 nan 0.000 0.216 31 P C 1.008 178.348 177.300 0.065 0.000 1.150 31 P CA 1.091 64.093 63.100 -0.164 0.000 0.837 31 P CB 0.009 31.706 31.700 -0.004 0.000 0.786 32 Y N 0.539 120.824 120.300 -0.026 0.000 2.184 32 Y HA -0.135 4.415 4.550 -0.000 0.000 0.290 32 Y C 2.000 177.916 175.900 0.027 0.000 1.129 32 Y CA 1.465 59.572 58.100 0.013 0.000 1.144 32 Y CB -0.774 37.691 38.460 0.010 0.000 0.995 32 Y HN -0.149 nan 8.280 nan 0.000 0.513 33 N N -0.443 118.327 118.700 0.118 0.000 2.137 33 N HA -0.260 4.480 4.740 -0.000 0.000 0.190 33 N C 1.722 177.240 175.510 0.014 0.000 1.017 33 N CA 1.842 54.926 53.050 0.057 0.000 0.859 33 N CB -0.806 37.730 38.487 0.082 0.000 1.002 33 N HN 0.565 nan 8.380 nan 0.000 0.428 34 H N 0.693 119.758 119.070 -0.008 0.000 2.321 34 H HA 0.097 4.653 4.556 0.000 0.000 0.300 34 H C 2.096 177.413 175.328 -0.018 0.000 1.087 34 H CA 1.311 57.396 56.048 0.061 0.000 1.319 34 H CB -0.364 29.555 29.762 0.262 0.000 1.379 34 H HN 0.178 nan 8.280 nan 0.000 0.501 35 I N -0.020 120.468 120.570 -0.136 0.000 2.614 35 I HA -0.187 3.983 4.170 -0.000 0.000 0.258 35 I C 1.584 177.531 176.117 -0.283 0.000 1.189 35 I CA 0.688 61.848 61.300 -0.234 0.000 1.462 35 I CB -0.030 37.854 38.000 -0.193 0.000 1.092 35 I HN 0.341 nan 8.210 nan 0.000 0.442 36 L N 0.179 121.215 121.223 -0.312 0.000 2.265 36 L HA -0.209 4.131 4.340 -0.000 0.000 0.215 36 L C 2.147 178.933 176.870 -0.140 0.000 1.117 36 L CA 0.941 55.645 54.840 -0.226 0.000 0.782 36 L CB -0.381 41.578 42.059 -0.168 0.000 0.914 36 L HN 0.341 nan 8.230 nan 0.000 0.441 37 L N -0.692 120.430 121.223 -0.168 0.000 2.465 37 L HA -0.072 4.268 4.340 -0.000 0.000 0.224 37 L C 0.890 177.690 176.870 -0.117 0.000 1.145 37 L CA 0.512 55.273 54.840 -0.132 0.000 0.834 37 L CB -0.357 41.601 42.059 -0.168 0.000 0.944 37 L HN 0.151 nan 8.230 nan 0.000 0.451 38 K N 1.351 121.671 120.400 -0.133 0.000 2.218 38 K HA 0.260 4.580 4.320 -0.000 0.000 0.276 38 K C -2.036 174.540 176.600 -0.040 0.000 1.022 38 K CA -1.689 54.546 56.287 -0.087 0.000 0.946 38 K CB 0.515 32.958 32.500 -0.096 0.000 1.000 38 K HN -0.131 nan 8.250 nan 0.000 0.468 39 P HA 0.162 nan 4.420 nan 0.000 0.277 39 P C 0.330 177.658 177.300 0.046 0.000 1.271 39 P CA -0.162 62.950 63.100 0.020 0.000 0.795 39 P CB 1.037 32.753 31.700 0.027 0.000 1.101 40 G N -0.086 108.766 108.800 0.086 0.000 2.705 40 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.193 40 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.193 40 G C 1.191 176.187 174.900 0.161 0.000 1.015 40 G CA 0.375 45.556 45.100 0.136 0.000 0.743 40 G HN 0.572 nan 8.290 nan 0.000 0.476 41 K N 0.897 121.362 120.400 0.108 0.000 2.059 41 K HA -0.123 4.197 4.320 -0.000 0.000 0.212 41 K C 2.275 178.928 176.600 0.088 0.000 1.050 41 K CA 2.231 58.571 56.287 0.088 0.000 0.927 41 K CB -0.204 32.331 32.500 0.058 0.000 0.714 41 K HN 0.354 nan 8.250 nan 0.000 0.447 42 N N -0.426 118.334 118.700 0.100 0.000 2.166 42 N HA -0.152 4.588 4.740 -0.000 0.000 0.186 42 N C 1.582 177.132 175.510 0.067 0.000 1.019 42 N CA 1.049 54.145 53.050 0.077 0.000 0.856 42 N CB -0.282 38.259 38.487 0.090 0.000 0.993 42 N HN 0.141 nan 8.380 nan 0.000 0.426 43 F N 1.839 121.815 119.950 0.043 0.000 2.163 43 F HA 0.021 4.548 4.527 0.000 0.000 0.297 43 F C 2.301 178.118 175.800 0.028 0.000 1.094 43 F CA 1.042 59.074 58.000 0.053 0.000 1.290 43 F CB 0.067 39.108 39.000 0.068 0.000 1.017 43 F HN -0.075 nan 8.300 nan 0.000 0.483 44 R N -0.511 120.071 120.500 0.136 0.000 2.096 44 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 44 R C 2.056 178.332 176.300 -0.040 0.000 1.127 44 R CA 1.392 57.501 56.100 0.014 0.000 0.968 44 R CB -0.796 29.490 30.300 -0.024 0.000 0.861 44 R HN 0.266 nan 8.270 nan 0.000 0.440 45 L N 1.453 122.659 121.223 -0.029 0.000 2.141 45 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 45 L C 1.696 178.520 176.870 -0.077 0.000 1.094 45 L CA 1.745 56.561 54.840 -0.039 0.000 0.763 45 L CB -0.609 41.439 42.059 -0.019 0.000 0.908 45 L HN 0.068 nan 8.230 nan 0.000 0.437 46 N N -0.996 117.618 118.700 -0.145 0.000 2.188 46 N HA -0.201 4.539 4.740 -0.000 0.000 0.184 46 N C 1.731 177.155 175.510 -0.143 0.000 1.018 46 N CA 1.319 54.253 53.050 -0.192 0.000 0.858 46 N CB -0.230 38.039 38.487 -0.364 0.000 0.989 46 N HN 0.361 nan 8.380 nan 0.000 0.426 47 L N 0.403 121.551 121.223 -0.124 0.000 2.109 47 L HA 0.150 4.490 4.340 -0.000 0.000 0.207 47 L C 1.781 178.648 176.870 -0.005 0.000 1.086 47 L CA 1.284 56.108 54.840 -0.026 0.000 0.760 47 L CB -0.473 41.605 42.059 0.032 0.000 0.910 47 L HN 0.255 nan 8.230 nan 0.000 0.437 48 I N -1.624 118.929 120.570 -0.028 0.000 2.226 48 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 48 I C 2.339 178.445 176.117 -0.018 0.000 1.100 48 I CA 1.150 62.439 61.300 -0.019 0.000 1.374 48 I CB -0.404 37.579 38.000 -0.028 0.000 1.057 48 I HN 0.071 nan 8.210 nan 0.000 0.413 49 V N 0.396 120.291 119.914 -0.030 0.000 2.287 49 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 49 V C 2.554 178.634 176.094 -0.023 0.000 1.053 49 V CA 1.694 63.976 62.300 -0.030 0.000 1.027 49 V CB -0.658 31.139 31.823 -0.043 0.000 0.646 49 V HN 0.436 nan 8.190 nan 0.000 0.447 50 Q N -0.616 119.173 119.800 -0.018 0.000 2.084 50 Q HA -0.113 4.227 4.340 -0.000 0.000 0.202 50 Q C 2.209 178.210 176.000 0.002 0.000 0.978 50 Q CA 1.459 57.260 55.803 -0.004 0.000 0.844 50 Q CB -0.508 28.242 28.738 0.019 0.000 0.898 50 Q HN 0.470 nan 8.270 nan 0.000 0.426 51 I N 1.021 121.602 120.570 0.017 0.000 2.493 51 I HA -0.206 3.964 4.170 -0.000 0.000 0.254 51 I C 1.909 178.010 176.117 -0.026 0.000 1.160 51 I CA 0.856 62.163 61.300 0.012 0.000 1.445 51 I CB -1.166 36.858 38.000 0.040 0.000 1.086 51 I HN 0.353 nan 8.210 nan 0.000 0.433 52 N N 1.071 119.757 118.700 -0.024 0.000 2.512 52 N HA -0.118 4.622 4.740 -0.000 0.000 0.183 52 N C 1.746 177.236 175.510 -0.034 0.000 1.073 52 N CA 0.206 53.237 53.050 -0.033 0.000 0.911 52 N CB 0.172 38.645 38.487 -0.023 0.000 0.964 52 N HN 0.345 nan 8.380 nan 0.000 0.447 53 R N -0.213 120.269 120.500 -0.030 0.000 2.237 53 R HA -0.012 4.328 4.340 -0.000 0.000 0.219 53 R C 1.739 178.018 176.300 -0.034 0.000 1.080 53 R CA 0.547 56.630 56.100 -0.028 0.000 0.995 53 R CB 0.265 30.550 30.300 -0.025 0.000 0.875 53 R HN 0.123 nan 8.270 nan 0.000 0.462 54 V N -0.153 119.729 119.914 -0.053 0.000 2.672 54 V HA -0.062 4.058 4.120 -0.000 0.000 0.242 54 V C 1.931 177.957 176.094 -0.114 0.000 1.059 54 V CA 0.956 63.211 62.300 -0.075 0.000 1.081 54 V CB 0.028 31.785 31.823 -0.109 0.000 0.752 54 V HN 0.193 nan 8.190 nan 0.000 0.472 55 M N -0.373 119.144 119.600 -0.138 0.000 2.388 55 M HA 0.163 4.643 4.480 -0.000 0.000 0.265 55 M C 0.679 176.946 176.300 -0.055 0.000 1.088 55 M CA 0.461 55.659 55.300 -0.169 0.000 1.134 55 M CB -1.004 31.505 32.600 -0.151 0.000 1.384 55 M HN 0.418 nan 8.290 nan 0.000 0.447 56 N N 1.764 120.446 118.700 -0.030 0.000 2.740 56 N HA -0.152 4.588 4.740 -0.000 0.000 0.248 56 N C -0.688 174.822 175.510 0.000 0.000 1.062 56 N CA 0.438 53.484 53.050 -0.006 0.000 0.704 56 N CB -1.806 36.688 38.487 0.011 0.000 0.968 56 N HN 0.402 nan 8.380 nan 0.000 0.547 57 L N 0.726 121.945 121.223 -0.006 0.000 2.417 57 L HA 0.332 4.672 4.340 -0.000 0.000 0.268 57 L C -1.338 175.534 176.870 0.003 0.000 1.158 57 L CA -1.292 53.549 54.840 0.002 0.000 0.819 57 L CB -0.026 42.033 42.059 0.000 0.000 1.112 57 L HN -0.124 nan 8.230 nan 0.000 0.458 58 P HA 0.075 nan 4.420 nan 0.000 0.269 58 P C -0.047 177.255 177.300 0.004 0.000 1.215 58 P CA -0.302 62.801 63.100 0.005 0.000 0.780 58 P CB 0.846 32.551 31.700 0.008 0.000 0.898 59 K N 0.908 121.309 120.400 0.002 0.000 2.113 59 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 59 K C 1.225 177.827 176.600 0.004 0.000 1.047 59 K CA 1.901 58.189 56.287 0.001 0.000 0.928 59 K CB -0.265 32.235 32.500 -0.000 0.000 0.716 59 K HN 0.441 nan 8.250 nan 0.000 0.446 60 D N 0.344 120.748 120.400 0.006 0.000 2.117 60 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 60 D C 1.897 178.203 176.300 0.010 0.000 0.982 60 D CA 1.013 55.017 54.000 0.008 0.000 0.828 60 D CB -0.050 40.755 40.800 0.008 0.000 0.967 60 D HN 0.215 nan 8.370 nan 0.000 0.464 61 Q N -0.375 119.431 119.800 0.010 0.000 2.083 61 Q HA -0.086 4.254 4.340 -0.000 0.000 0.198 61 Q C 2.045 178.052 176.000 0.012 0.000 0.969 61 Q CA 0.519 56.330 55.803 0.013 0.000 0.838 61 Q CB -0.064 28.683 28.738 0.015 0.000 0.900 61 Q HN 0.169 nan 8.270 nan 0.000 0.436 62 L N 0.519 121.746 121.223 0.007 0.000 2.083 62 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 62 L C 2.138 179.012 176.870 0.006 0.000 1.083 62 L CA 2.042 56.885 54.840 0.004 0.000 0.752 62 L CB -0.710 41.348 42.059 -0.002 0.000 0.899 62 L HN 0.215 nan 8.230 nan 0.000 0.433 63 A N -0.328 122.497 122.820 0.008 0.000 1.908 63 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 63 A C 2.256 179.849 177.584 0.016 0.000 1.181 63 A CA 2.178 54.221 52.037 0.011 0.000 0.627 63 A CB -0.841 18.165 19.000 0.011 0.000 0.818 63 A HN 0.518 nan 8.150 nan 0.000 0.445 64 I N -0.733 119.847 120.570 0.016 0.000 2.252 64 I HA -0.177 3.993 4.170 -0.000 0.000 0.245 64 I C 2.326 178.457 176.117 0.024 0.000 1.102 64 I CA 0.863 62.175 61.300 0.020 0.000 1.385 64 I CB -0.364 37.648 38.000 0.019 0.000 1.064 64 I HN 0.138 nan 8.210 nan 0.000 0.414 65 V N 0.253 120.180 119.914 0.021 0.000 2.287 65 V HA -0.336 3.784 4.120 -0.000 0.000 0.248 65 V C 2.672 178.779 176.094 0.022 0.000 1.053 65 V CA 2.379 64.693 62.300 0.024 0.000 1.027 65 V CB -0.618 31.214 31.823 0.015 0.000 0.646 65 V HN 0.500 nan 8.190 nan 0.000 0.447 66 S N -0.973 114.736 115.700 0.015 0.000 2.382 66 S HA -0.278 4.192 4.470 -0.000 0.000 0.228 66 S C 2.014 176.632 174.600 0.031 0.000 1.027 66 S CA 1.976 60.184 58.200 0.014 0.000 0.991 66 S CB -0.223 62.982 63.200 0.009 0.000 0.823 66 S HN 0.718 nan 8.310 nan 0.000 0.469 67 Q N 0.098 119.920 119.800 0.036 0.000 2.084 67 Q HA -0.014 4.326 4.340 -0.000 0.000 0.202 67 Q C 2.201 178.236 176.000 0.059 0.000 0.978 67 Q CA 1.678 57.510 55.803 0.047 0.000 0.844 67 Q CB -0.269 28.490 28.738 0.035 0.000 0.898 67 Q HN 0.592 nan 8.270 nan 0.000 0.426 68 I N -0.165 120.441 120.570 0.059 0.000 2.142 68 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 68 I C 2.182 178.360 176.117 0.103 0.000 1.078 68 I CA 0.940 62.297 61.300 0.094 0.000 1.343 68 I CB -0.224 37.843 38.000 0.111 0.000 1.046 68 I HN 0.040 nan 8.210 nan 0.000 0.405 69 V N 0.499 120.452 119.914 0.064 0.000 2.407 69 V HA -0.230 3.890 4.120 -0.000 0.000 0.248 69 V C 2.472 178.606 176.094 0.067 0.000 1.055 69 V CA 1.644 63.962 62.300 0.030 0.000 1.049 69 V CB -0.604 31.202 31.823 -0.028 0.000 0.662 69 V HN 0.397 nan 8.190 nan 0.000 0.455 70 E N -0.080 120.171 120.200 0.086 0.000 2.106 70 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 70 E C 2.217 178.935 176.600 0.196 0.000 0.984 70 E CA 1.048 57.531 56.400 0.139 0.000 0.806 70 E CB -0.248 29.525 29.700 0.122 0.000 0.750 70 E HN 0.504 nan 8.360 nan 0.000 0.458 71 L N 0.454 121.781 121.223 0.173 0.000 2.056 71 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 71 L C 2.574 179.557 176.870 0.188 0.000 1.078 71 L CA 0.795 55.740 54.840 0.176 0.000 0.749 71 L CB -0.345 41.736 42.059 0.037 0.000 0.901 71 L HN 0.106 nan 8.230 nan 0.000 0.433 72 L N -1.224 120.106 121.223 0.178 0.000 2.017 72 L HA -0.272 4.068 4.340 -0.000 0.000 0.208 72 L C 2.714 179.717 176.870 0.222 0.000 1.073 72 L CA 1.292 56.259 54.840 0.212 0.000 0.745 72 L CB -0.775 41.329 42.059 0.075 0.000 0.894 72 L HN 0.347 nan 8.230 nan 0.000 0.432 73 H N 0.646 119.744 119.070 0.046 0.000 2.321 73 H HA -0.135 4.421 4.556 0.000 0.000 0.300 73 H C 2.141 177.488 175.328 0.032 0.000 1.087 73 H CA 1.839 57.888 56.048 0.002 0.000 1.319 73 H CB -0.048 29.684 29.762 -0.050 0.000 1.379 73 H HN 0.197 nan 8.280 nan 0.000 0.501 74 N N -0.165 118.544 118.700 0.015 0.000 2.120 74 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 74 N C 2.075 177.581 175.510 -0.008 0.000 1.024 74 N CA 1.400 54.398 53.050 -0.087 0.000 0.852 74 N CB -0.363 38.082 38.487 -0.071 0.000 1.003 74 N HN 0.290 nan 8.380 nan 0.000 0.424 75 S N 0.481 116.224 115.700 0.071 0.000 2.383 75 S HA -0.025 4.445 4.470 -0.000 0.000 0.227 75 S C 2.155 176.699 174.600 -0.094 0.000 1.026 75 S CA 0.760 58.901 58.200 -0.099 0.000 0.981 75 S CB -0.156 62.755 63.200 -0.481 0.000 0.818 75 S HN 0.295 nan 8.310 nan 0.000 0.472 76 S N 1.765 117.499 115.700 0.057 0.000 2.383 76 S HA 0.026 4.496 4.470 -0.000 0.000 0.229 76 S C 1.752 176.361 174.600 0.016 0.000 1.030 76 S CA 0.925 59.189 58.200 0.106 0.000 1.002 76 S CB -0.376 62.898 63.200 0.123 0.000 0.829 76 S HN 0.389 nan 8.310 nan 0.000 0.467 77 L N 0.734 121.927 121.223 -0.049 0.000 2.109 77 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 77 L C 2.194 179.059 176.870 -0.009 0.000 1.086 77 L CA 0.805 55.610 54.840 -0.058 0.000 0.760 77 L CB -0.574 41.386 42.059 -0.164 0.000 0.910 77 L HN 0.287 nan 8.230 nan 0.000 0.437 78 L N -0.238 120.982 121.223 -0.005 0.000 2.046 78 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 78 L C 2.471 179.363 176.870 0.037 0.000 1.077 78 L CA 1.487 56.354 54.840 0.046 0.000 0.747 78 L CB -0.318 41.772 42.059 0.051 0.000 0.896 78 L HN 0.209 nan 8.230 nan 0.000 0.432 79 I N -0.359 120.218 120.570 0.011 0.000 2.286 79 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 79 I C 2.156 178.269 176.117 -0.006 0.000 1.104 79 I CA 1.333 62.639 61.300 0.011 0.000 1.397 79 I CB -0.244 37.784 38.000 0.047 0.000 1.072 79 I HN 0.257 nan 8.210 nan 0.000 0.417 80 D N 1.008 121.410 120.400 0.004 0.000 2.149 80 D HA -0.247 4.393 4.640 -0.000 0.000 0.198 80 D C 1.685 177.981 176.300 -0.007 0.000 0.990 80 D CA 1.435 55.435 54.000 0.000 0.000 0.839 80 D CB 0.049 40.859 40.800 0.016 0.000 0.948 80 D HN 0.219 nan 8.370 nan 0.000 0.460 81 D N -0.471 119.936 120.400 0.011 0.000 2.224 81 D HA -0.064 4.576 4.640 -0.000 0.000 0.205 81 D C 2.138 178.356 176.300 -0.138 0.000 0.965 81 D CA 0.416 54.439 54.000 0.039 0.000 0.852 81 D CB -0.004 40.901 40.800 0.174 0.000 0.947 81 D HN 0.411 nan 8.370 nan 0.000 0.494 82 I N 1.005 121.399 120.570 -0.294 0.000 2.233 82 I HA -0.197 3.973 4.170 -0.000 0.000 0.243 82 I C 2.167 178.135 176.117 -0.250 0.000 1.093 82 I CA 0.950 61.923 61.300 -0.545 0.000 1.380 82 I CB -0.109 37.703 38.000 -0.313 0.000 1.067 82 I HN -0.093 nan 8.210 nan 0.000 0.413 83 E N 0.653 120.778 120.200 -0.125 0.000 2.160 83 E HA -0.236 4.114 4.350 -0.000 0.000 0.195 83 E C 0.851 177.418 176.600 -0.056 0.000 0.991 83 E CA 1.257 57.619 56.400 -0.065 0.000 0.810 83 E CB -0.036 29.648 29.700 -0.028 0.000 0.742 83 E HN 0.466 nan 8.360 nan 0.000 0.466 84 D N -0.313 120.056 120.400 -0.050 0.000 2.369 84 D HA -0.001 4.639 4.640 -0.000 0.000 0.211 84 D C -0.105 176.178 176.300 -0.029 0.000 1.077 84 D CA 0.008 53.992 54.000 -0.028 0.000 0.842 84 D CB -0.198 40.602 40.800 0.000 0.000 0.947 84 D HN 0.136 nan 8.370 nan 0.000 0.509 85 N N 0.305 118.980 118.700 -0.042 0.000 2.727 85 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 85 N C -0.580 174.960 175.510 0.050 0.000 1.048 85 N CA 0.089 53.141 53.050 0.004 0.000 0.714 85 N CB -0.534 37.940 38.487 -0.022 0.000 0.959 85 N HN 0.168 nan 8.380 nan 0.000 0.544 86 A N 0.909 123.791 122.820 0.103 0.000 2.362 86 A HA 0.396 4.716 4.320 -0.000 0.000 0.276 86 A C -0.965 176.676 177.584 0.093 0.000 1.153 86 A CA -1.060 51.022 52.037 0.074 0.000 0.813 86 A CB 0.694 19.749 19.000 0.092 0.000 1.081 86 A HN 0.323 nan 8.150 nan 0.000 0.507 87 P HA 0.139 nan 4.420 nan 0.000 0.239 87 P C -0.141 177.155 177.300 -0.006 0.000 1.188 87 P CA 0.650 63.725 63.100 -0.042 0.000 0.794 87 P CB 0.295 31.951 31.700 -0.073 0.000 0.937 88 L N -0.661 120.593 121.223 0.052 0.000 2.434 88 L HA 0.599 4.939 4.340 -0.000 0.000 0.260 88 L C -0.340 176.616 176.870 0.143 0.000 0.983 88 L CA -1.078 53.834 54.840 0.119 0.000 0.820 88 L CB 2.844 45.042 42.059 0.233 0.000 1.361 88 L HN -0.275 nan 8.230 nan 0.000 0.410 89 R N 2.706 123.276 120.500 0.115 0.000 2.510 89 R HA 0.504 4.844 4.340 -0.000 0.000 0.294 89 R C -0.792 175.545 176.300 0.061 0.000 1.056 89 R CA -0.509 55.649 56.100 0.095 0.000 0.918 89 R CB 0.829 31.173 30.300 0.073 0.000 1.187 89 R HN 0.503 nan 8.270 nan 0.000 0.437 90 R N 3.465 123.998 120.500 0.055 0.000 3.423 90 R HA -0.162 4.178 4.340 -0.000 0.000 0.271 90 R C 0.611 176.922 176.300 0.017 0.000 1.093 90 R CA 1.091 57.204 56.100 0.022 0.000 0.730 90 R CB -2.329 27.974 30.300 0.004 0.000 1.190 90 R HN 1.392 nan 8.270 nan 0.000 0.437 91 G N -1.074 107.746 108.800 0.033 0.000 2.189 91 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.267 91 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.267 91 G C 0.093 175.019 174.900 0.045 0.000 0.975 91 G CA 1.126 46.245 45.100 0.032 0.000 0.644 91 G HN 0.556 nan 8.290 nan 0.000 0.537 92 Q N 0.181 120.012 119.800 0.050 0.000 2.399 92 Q HA 0.696 5.036 4.340 -0.000 0.000 0.276 92 Q C 0.367 176.423 176.000 0.092 0.000 1.098 92 Q CA -0.067 55.771 55.803 0.060 0.000 0.827 92 Q CB 1.108 29.860 28.738 0.025 0.000 1.386 92 Q HN 0.183 nan 8.270 nan 0.000 0.443 93 T N 2.091 116.706 114.554 0.101 0.000 2.934 93 T HA 0.206 4.556 4.350 -0.000 0.000 0.306 93 T C -0.125 174.643 174.700 0.114 0.000 1.042 93 T CA 0.431 62.565 62.100 0.056 0.000 1.145 93 T CB -0.129 68.731 68.868 -0.013 0.000 0.982 93 T HN 0.720 nan 8.240 nan 0.000 0.544 94 T N 1.180 115.730 114.554 -0.006 0.000 2.899 94 T HA 0.186 4.536 4.350 -0.000 0.000 0.295 94 T C 1.600 176.256 174.700 -0.074 0.000 1.033 94 T CA -0.896 61.216 62.100 0.019 0.000 1.084 94 T CB 0.910 69.767 68.868 -0.017 0.000 0.979 94 T HN 0.385 nan 8.240 nan 0.000 0.532 95 S N 1.336 117.107 115.700 0.118 0.000 2.374 95 S HA -0.203 4.267 4.470 -0.000 0.000 0.227 95 S C 1.802 176.440 174.600 0.064 0.000 1.037 95 S CA 1.929 60.204 58.200 0.125 0.000 1.024 95 S CB -0.795 62.610 63.200 0.342 0.000 0.861 95 S HN 1.064 nan 8.310 nan 0.000 0.456 96 H N 0.582 119.696 119.070 0.072 0.000 2.489 96 H HA 0.145 4.701 4.556 -0.000 0.000 0.293 96 H C 1.653 176.969 175.328 -0.020 0.000 1.066 96 H CA 0.966 57.044 56.048 0.050 0.000 1.305 96 H CB -0.463 29.325 29.762 0.044 0.000 1.386 96 H HN 0.299 nan 8.280 nan 0.000 0.551 97 L N -0.218 120.692 121.223 -0.522 0.000 2.313 97 L HA 0.036 4.376 4.340 -0.000 0.000 0.214 97 L C 1.852 178.537 176.870 -0.307 0.000 1.119 97 L CA 0.588 55.207 54.840 -0.367 0.000 0.809 97 L CB -0.060 41.770 42.059 -0.382 0.000 0.933 97 L HN 0.361 nan 8.230 nan 0.000 0.449 98 I N -1.714 118.597 120.570 -0.431 0.000 2.512 98 I HA -0.116 4.054 4.170 -0.000 0.000 0.247 98 I C 1.573 177.271 176.117 -0.699 0.000 1.094 98 I CA 1.038 61.934 61.300 -0.673 0.000 1.427 98 I CB 0.026 37.339 38.000 -1.144 0.000 1.149 98 I HN 0.018 nan 8.210 nan 0.000 0.438 99 F N 0.994 120.892 119.950 -0.086 0.000 2.749 99 F HA 0.417 4.945 4.527 0.000 0.000 0.300 99 F C 1.150 176.953 175.800 0.005 0.000 1.103 99 F CA 0.233 58.214 58.000 -0.031 0.000 1.342 99 F CB 0.078 39.070 39.000 -0.014 0.000 1.098 99 F HN 0.098 nan 8.300 nan 0.000 0.586 100 G N 0.208 109.080 108.800 0.120 0.000 2.675 100 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.686 100 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.686 100 G C 0.269 175.266 174.900 0.162 0.000 1.215 100 G CA -0.619 44.551 45.100 0.117 0.000 0.777 100 G HN -0.123 nan 8.290 nan 0.000 0.638 101 V N 2.419 122.417 119.914 0.140 0.000 2.343 101 V HA -0.107 4.013 4.120 -0.000 0.000 0.247 101 V C 0.617 176.766 176.094 0.091 0.000 1.051 101 V CA 2.846 65.216 62.300 0.116 0.000 1.036 101 V CB -1.042 30.817 31.823 0.061 0.000 0.654 101 V HN 0.654 nan 8.190 nan 0.000 0.451 102 P HA -0.124 nan 4.420 nan 0.000 0.214 102 P C 2.042 179.386 177.300 0.075 0.000 1.163 102 P CA 1.849 64.989 63.100 0.067 0.000 0.889 102 P CB -0.090 31.644 31.700 0.057 0.000 0.790 103 S N -1.376 114.380 115.700 0.093 0.000 2.383 103 S HA -0.105 4.365 4.470 -0.000 0.000 0.227 103 S C 1.885 176.542 174.600 0.095 0.000 1.026 103 S CA 1.702 59.955 58.200 0.088 0.000 0.981 103 S CB -1.254 62.010 63.200 0.107 0.000 0.818 103 S HN 0.272 nan 8.310 nan 0.000 0.472 104 T N 2.314 116.947 114.554 0.131 0.000 2.777 104 T HA 0.087 4.437 4.350 -0.000 0.000 0.266 104 T C 1.718 176.473 174.700 0.092 0.000 1.040 104 T CA 0.890 63.071 62.100 0.135 0.000 1.141 104 T CB -0.286 68.699 68.868 0.195 0.000 0.868 104 T HN 0.304 nan 8.240 nan 0.000 0.444 105 I N 1.464 122.081 120.570 0.078 0.000 2.252 105 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 105 I C 2.541 178.699 176.117 0.070 0.000 1.102 105 I CA 1.096 62.433 61.300 0.063 0.000 1.385 105 I CB -0.307 37.730 38.000 0.061 0.000 1.064 105 I HN 0.217 nan 8.210 nan 0.000 0.414 106 N N 0.300 119.042 118.700 0.071 0.000 2.142 106 N HA -0.162 4.578 4.740 -0.000 0.000 0.186 106 N C 1.725 177.294 175.510 0.099 0.000 1.023 106 N CA 1.893 54.987 53.050 0.073 0.000 0.852 106 N CB -0.045 38.466 38.487 0.040 0.000 0.998 106 N HN 0.127 nan 8.380 nan 0.000 0.424 107 T N -0.248 114.363 114.554 0.095 0.000 2.746 107 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 107 T C 1.831 176.603 174.700 0.120 0.000 1.039 107 T CA 1.304 63.492 62.100 0.146 0.000 1.142 107 T CB -0.603 68.338 68.868 0.122 0.000 0.866 107 T HN 0.434 nan 8.240 nan 0.000 0.444 108 A N 2.053 124.896 122.820 0.039 0.000 1.877 108 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 108 A C 2.161 179.576 177.584 -0.281 0.000 1.186 108 A CA 1.837 53.801 52.037 -0.120 0.000 0.620 108 A CB -0.861 18.057 19.000 -0.136 0.000 0.822 108 A HN 0.619 nan 8.150 nan 0.000 0.443 109 N N -1.897 116.758 118.700 -0.075 0.000 2.120 109 N HA -0.193 4.547 4.740 -0.000 0.000 0.188 109 N C 1.771 177.444 175.510 0.271 0.000 1.024 109 N CA 1.417 54.521 53.050 0.089 0.000 0.852 109 N CB -0.304 38.349 38.487 0.277 0.000 1.003 109 N HN 0.597 nan 8.380 nan 0.000 0.424 110 Y N 1.845 122.208 120.300 0.106 0.000 2.165 110 Y HA -0.157 4.393 4.550 -0.000 0.000 0.286 110 Y C 2.123 178.068 175.900 0.075 0.000 1.155 110 Y CA 1.406 59.583 58.100 0.128 0.000 1.164 110 Y CB -0.205 38.266 38.460 0.018 0.000 0.978 110 Y HN 0.036 nan 8.280 nan 0.000 0.513 111 M N -1.296 118.215 119.600 -0.148 0.000 2.296 111 M HA -0.207 4.273 4.480 -0.000 0.000 0.265 111 M C 2.013 178.220 176.300 -0.156 0.000 1.064 111 M CA 1.201 56.299 55.300 -0.336 0.000 1.109 111 M CB -1.553 30.784 32.600 -0.438 0.000 1.396 111 M HN 0.435 nan 8.290 nan 0.000 0.430 112 Y N -0.708 119.520 120.300 -0.120 0.000 2.181 112 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 112 Y C 2.182 177.931 175.900 -0.252 0.000 1.146 112 Y CA 0.914 58.890 58.100 -0.207 0.000 1.164 112 Y CB -0.379 37.836 38.460 -0.407 0.000 0.982 112 Y HN 0.048 nan 8.280 nan 0.000 0.515 113 F N -0.582 119.473 119.950 0.175 0.000 2.325 113 F HA -0.135 4.392 4.527 -0.000 0.000 0.299 113 F C 2.180 177.951 175.800 -0.049 0.000 1.090 113 F CA 0.622 58.669 58.000 0.077 0.000 1.392 113 F CB -0.159 38.883 39.000 0.070 0.000 1.053 113 F HN -0.105 nan 8.300 nan 0.000 0.521 114 R N 0.393 120.858 120.500 -0.058 0.000 2.092 114 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 114 R C 2.375 178.631 176.300 -0.074 0.000 1.119 114 R CA 1.120 57.122 56.100 -0.163 0.000 0.970 114 R CB -1.191 28.885 30.300 -0.374 0.000 0.864 114 R HN 0.305 nan 8.270 nan 0.000 0.440 115 A N 1.382 124.197 122.820 -0.008 0.000 1.902 115 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 115 A C 2.243 179.815 177.584 -0.019 0.000 1.181 115 A CA 1.426 53.508 52.037 0.075 0.000 0.623 115 A CB -0.474 18.676 19.000 0.249 0.000 0.818 115 A HN 0.262 nan 8.150 nan 0.000 0.443 116 M N -0.807 118.740 119.600 -0.089 0.000 2.108 116 M HA -0.263 4.217 4.480 -0.000 0.000 0.261 116 M C 2.397 178.526 176.300 -0.285 0.000 1.066 116 M CA 2.367 57.336 55.300 -0.553 0.000 1.107 116 M CB -0.252 32.186 32.600 -0.270 0.000 1.356 116 M HN 0.642 nan 8.290 nan 0.000 0.406 117 Q N 0.400 120.141 119.800 -0.099 0.000 2.096 117 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 117 Q C 1.879 177.854 176.000 -0.042 0.000 0.982 117 Q CA 1.645 57.422 55.803 -0.044 0.000 0.850 117 Q CB -0.246 28.480 28.738 -0.020 0.000 0.901 117 Q HN 0.629 nan 8.270 nan 0.000 0.422 118 L N -0.094 121.097 121.223 -0.054 0.000 2.265 118 L HA -0.158 4.181 4.340 -0.000 0.000 0.215 118 L C 2.210 179.068 176.870 -0.020 0.000 1.117 118 L CA 0.342 55.165 54.840 -0.028 0.000 0.782 118 L CB -0.289 41.760 42.059 -0.016 0.000 0.914 118 L HN 0.169 nan 8.230 nan 0.000 0.441 119 V N -0.143 119.727 119.914 -0.072 0.000 2.469 119 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 119 V C 2.643 178.818 176.094 0.135 0.000 1.064 119 V CA 1.968 64.240 62.300 -0.046 0.000 1.066 119 V CB -0.614 31.066 31.823 -0.238 0.000 0.667 119 V HN 0.677 nan 8.190 nan 0.000 0.461 120 S N -0.003 115.820 115.700 0.204 0.000 2.442 120 S HA -0.257 4.213 4.470 -0.000 0.000 0.236 120 S C 1.707 176.339 174.600 0.054 0.000 1.007 120 S CA 1.334 59.631 58.200 0.161 0.000 0.965 120 S CB -0.451 62.747 63.200 -0.003 0.000 0.773 120 S HN 0.747 nan 8.310 nan 0.000 0.504 121 Q N 0.188 120.013 119.800 0.042 0.000 2.444 121 Q HA 0.311 4.651 4.340 -0.000 0.000 0.206 121 Q C 1.616 177.636 176.000 0.033 0.000 0.948 121 Q CA 0.219 56.036 55.803 0.022 0.000 0.946 121 Q CB -0.200 28.546 28.738 0.013 0.000 1.027 121 Q HN 0.576 nan 8.270 nan 0.000 0.513 122 L N -0.471 120.785 121.223 0.056 0.000 2.341 122 L HA 0.061 4.401 4.340 -0.000 0.000 0.214 122 L C 0.424 177.328 176.870 0.056 0.000 1.115 122 L CA 0.702 55.573 54.840 0.052 0.000 0.820 122 L CB 0.416 42.507 42.059 0.053 0.000 0.944 122 L HN 0.033 nan 8.230 nan 0.000 0.452 123 T N -2.628 111.969 114.554 0.072 0.000 2.802 123 T HA 0.195 4.545 4.350 -0.000 0.000 0.311 123 T C 0.443 175.167 174.700 0.039 0.000 1.405 123 T CA -0.188 61.949 62.100 0.063 0.000 1.016 123 T CB 1.965 70.889 68.868 0.093 0.000 1.352 123 T HN 0.014 nan 8.240 nan 0.000 0.498 124 T N -1.784 112.783 114.554 0.021 0.000 3.044 124 T HA 0.322 4.672 4.350 -0.000 0.000 0.260 124 T C 0.170 174.870 174.700 -0.001 0.000 1.019 124 T CA -0.263 61.832 62.100 -0.008 0.000 0.921 124 T CB -0.140 68.721 68.868 -0.011 0.000 1.053 124 T HN 0.307 nan 8.240 nan 0.000 0.533 125 K N 2.352 122.771 120.400 0.032 0.000 2.267 125 K HA 0.290 4.610 4.320 -0.000 0.000 0.282 125 K C 0.906 177.552 176.600 0.077 0.000 1.078 125 K CA -0.486 55.826 56.287 0.042 0.000 0.903 125 K CB 1.109 33.638 32.500 0.048 0.000 1.111 125 K HN 0.059 nan 8.250 nan 0.000 0.475 126 E N 2.587 122.820 120.200 0.056 0.000 2.070 126 E HA -0.185 4.165 4.350 -0.000 0.000 0.197 126 E C -0.964 175.730 176.600 0.156 0.000 1.004 126 E CA 1.712 58.169 56.400 0.097 0.000 0.805 126 E CB -1.079 28.649 29.700 0.046 0.000 0.744 126 E HN 0.485 nan 8.360 nan 0.000 0.451 127 P HA -0.136 nan 4.420 nan 0.000 0.216 127 P C 1.729 179.100 177.300 0.118 0.000 1.150 127 P CA 0.791 63.938 63.100 0.078 0.000 0.837 127 P CB -0.056 31.665 31.700 0.035 0.000 0.786 128 L N -1.644 119.648 121.223 0.115 0.000 2.072 128 L HA -0.127 4.213 4.340 -0.000 0.000 0.205 128 L C 2.346 179.295 176.870 0.132 0.000 1.079 128 L CA 1.646 56.550 54.840 0.106 0.000 0.752 128 L CB -1.632 40.479 42.059 0.087 0.000 0.906 128 L HN -0.089 nan 8.230 nan 0.000 0.436 129 Y N -0.416 119.915 120.300 0.051 0.000 2.114 129 Y HA -0.352 4.198 4.550 -0.000 0.000 0.282 129 Y C 2.867 178.801 175.900 0.056 0.000 1.165 129 Y CA 2.397 60.519 58.100 0.036 0.000 1.148 129 Y CB -0.620 37.855 38.460 0.025 0.000 0.972 129 Y HN 0.453 nan 8.280 nan 0.000 0.504 130 H N 0.154 119.240 119.070 0.026 0.000 2.352 130 H HA -0.160 4.396 4.556 0.000 0.000 0.299 130 H C 1.599 176.863 175.328 -0.107 0.000 1.097 130 H CA 1.891 57.904 56.048 -0.059 0.000 1.311 130 H CB -0.078 29.711 29.762 0.044 0.000 1.377 130 H HN 0.404 nan 8.280 nan 0.000 0.504 131 N N 0.747 119.500 118.700 0.088 0.000 2.142 131 N HA -0.104 4.636 4.740 -0.000 0.000 0.186 131 N C 2.413 177.888 175.510 -0.058 0.000 1.023 131 N CA 0.720 53.792 53.050 0.037 0.000 0.852 131 N CB -0.443 38.084 38.487 0.068 0.000 0.998 131 N HN 0.375 nan 8.380 nan 0.000 0.424 132 L N 0.463 121.622 121.223 -0.106 0.000 2.046 132 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 132 L C 2.027 178.778 176.870 -0.199 0.000 1.077 132 L CA 0.770 55.533 54.840 -0.128 0.000 0.747 132 L CB -0.359 41.612 42.059 -0.147 0.000 0.896 132 L HN 0.119 nan 8.230 nan 0.000 0.432 133 I N -0.169 120.157 120.570 -0.406 0.000 2.315 133 I HA -0.218 3.952 4.170 -0.000 0.000 0.248 133 I C 2.525 178.535 176.117 -0.179 0.000 1.117 133 I CA 1.518 62.582 61.300 -0.393 0.000 1.404 133 I CB -1.162 36.486 38.000 -0.587 0.000 1.071 133 I HN 0.281 nan 8.210 nan 0.000 0.419 134 T N 1.435 115.864 114.554 -0.207 0.000 2.746 134 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 134 T C 2.062 176.743 174.700 -0.032 0.000 1.039 134 T CA 1.220 63.246 62.100 -0.123 0.000 1.142 134 T CB -0.171 68.630 68.868 -0.112 0.000 0.866 134 T HN 0.209 nan 8.240 nan 0.000 0.444 135 I N 0.258 120.821 120.570 -0.012 0.000 2.179 135 I HA -0.146 4.024 4.170 -0.000 0.000 0.242 135 I C 2.095 178.236 176.117 0.040 0.000 1.088 135 I CA 1.426 62.735 61.300 0.015 0.000 1.357 135 I CB -0.389 37.624 38.000 0.022 0.000 1.051 135 I HN 0.177 nan 8.210 nan 0.000 0.409 136 F N 1.917 121.801 119.950 -0.109 0.000 2.095 136 F HA -0.330 4.197 4.527 -0.000 0.000 0.298 136 F C 2.428 178.155 175.800 -0.121 0.000 1.104 136 F CA 2.073 60.005 58.000 -0.114 0.000 1.232 136 F CB -0.346 38.574 39.000 -0.134 0.000 0.987 136 F HN 0.074 nan 8.300 nan 0.000 0.475 137 N N 0.678 119.475 118.700 0.161 0.000 2.142 137 N HA -0.187 4.553 4.740 -0.000 0.000 0.186 137 N C 1.745 177.215 175.510 -0.067 0.000 1.023 137 N CA 1.898 54.967 53.050 0.032 0.000 0.852 137 N CB -0.322 38.185 38.487 0.033 0.000 0.998 137 N HN 0.509 nan 8.380 nan 0.000 0.424 138 E N -0.067 120.105 120.200 -0.046 0.000 2.077 138 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 138 E C 1.472 178.030 176.600 -0.071 0.000 0.989 138 E CA 0.848 57.219 56.400 -0.049 0.000 0.800 138 E CB 0.042 29.726 29.700 -0.026 0.000 0.746 138 E HN 0.369 nan 8.360 nan 0.000 0.452 139 E N 0.380 120.521 120.200 -0.098 0.000 2.216 139 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 139 E C 2.157 178.663 176.600 -0.155 0.000 0.988 139 E CA 0.372 56.706 56.400 -0.109 0.000 0.834 139 E CB 0.060 29.699 29.700 -0.102 0.000 0.772 139 E HN 0.303 nan 8.360 nan 0.000 0.479 140 L N 0.327 121.405 121.223 -0.242 0.000 2.109 140 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 140 L C 2.419 179.259 176.870 -0.050 0.000 1.086 140 L CA 0.569 55.264 54.840 -0.243 0.000 0.760 140 L CB -0.203 41.563 42.059 -0.488 0.000 0.910 140 L HN 0.075 nan 8.230 nan 0.000 0.437 141 I N 0.008 120.524 120.570 -0.090 0.000 2.179 141 I HA -0.310 3.859 4.170 -0.000 0.000 0.242 141 I C 2.186 178.296 176.117 -0.011 0.000 1.088 141 I CA 1.118 62.390 61.300 -0.046 0.000 1.357 141 I CB -0.297 37.668 38.000 -0.058 0.000 1.051 141 I HN 0.368 nan 8.210 nan 0.000 0.409 142 N N 0.744 119.422 118.700 -0.038 0.000 2.069 142 N HA -0.201 4.539 4.740 -0.000 0.000 0.191 142 N C 1.785 177.263 175.510 -0.052 0.000 1.031 142 N CA 1.157 54.183 53.050 -0.039 0.000 0.852 142 N CB -0.695 37.768 38.487 -0.040 0.000 1.018 142 N HN 0.183 nan 8.380 nan 0.000 0.423 143 L N 1.661 122.840 121.223 -0.075 0.000 2.013 143 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 143 L C 2.016 178.763 176.870 -0.205 0.000 1.073 143 L CA 1.878 56.633 54.840 -0.142 0.000 0.753 143 L CB -1.069 40.869 42.059 -0.201 0.000 0.890 143 L HN 0.341 nan 8.230 nan 0.000 0.432 144 H N -0.587 118.415 119.070 -0.113 0.000 2.423 144 H HA -0.036 4.520 4.556 -0.000 0.000 0.297 144 H C 2.339 177.614 175.328 -0.087 0.000 1.075 144 H CA 1.366 57.360 56.048 -0.091 0.000 1.342 144 H CB 0.149 29.852 29.762 -0.099 0.000 1.395 144 H HN 0.413 nan 8.280 nan 0.000 0.530 145 R N 0.069 120.569 120.500 -0.000 0.000 2.075 145 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 145 R C 2.685 178.919 176.300 -0.111 0.000 1.126 145 R CA 0.950 57.020 56.100 -0.051 0.000 0.963 145 R CB -0.337 29.934 30.300 -0.048 0.000 0.858 145 R HN 0.244 nan 8.270 nan 0.000 0.435 146 G N 0.520 109.250 108.800 -0.117 0.000 2.404 146 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.215 146 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.215 146 G C 1.368 176.153 174.900 -0.192 0.000 1.174 146 G CA 0.509 45.513 45.100 -0.159 0.000 0.780 146 G HN 0.231 nan 8.290 nan 0.000 0.537 147 Q N 0.487 120.195 119.800 -0.154 0.000 2.135 147 Q HA 0.014 4.354 4.340 -0.000 0.000 0.204 147 Q C 2.561 178.485 176.000 -0.126 0.000 0.981 147 Q CA 1.974 57.695 55.803 -0.136 0.000 0.856 147 Q CB -0.824 27.822 28.738 -0.154 0.000 0.902 147 Q HN 0.352 nan 8.270 nan 0.000 0.425 148 G N 0.082 108.812 108.800 -0.115 0.000 2.418 148 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.217 148 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.217 148 G C 1.289 176.085 174.900 -0.173 0.000 1.158 148 G CA 0.917 45.966 45.100 -0.085 0.000 0.771 148 G HN 0.369 nan 8.290 nan 0.000 0.545 149 L N 0.121 121.126 121.223 -0.363 0.000 2.056 149 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 149 L C 2.546 178.854 176.870 -0.937 0.000 1.078 149 L CA 1.236 55.600 54.840 -0.793 0.000 0.749 149 L CB -0.428 40.974 42.059 -1.094 0.000 0.901 149 L HN 0.143 nan 8.230 nan 0.000 0.433 150 D N 0.668 120.729 120.400 -0.565 0.000 2.104 150 D HA -0.192 4.448 4.640 -0.000 0.000 0.194 150 D C 2.168 178.436 176.300 -0.054 0.000 0.994 150 D CA 1.418 55.272 54.000 -0.242 0.000 0.830 150 D CB 0.017 40.750 40.800 -0.111 0.000 0.959 150 D HN 0.232 nan 8.370 nan 0.000 0.452 151 I N -0.694 119.847 120.570 -0.048 0.000 2.202 151 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 151 I C 2.103 178.292 176.117 0.120 0.000 1.091 151 I CA 0.818 62.139 61.300 0.036 0.000 1.368 151 I CB -0.311 37.715 38.000 0.043 0.000 1.058 151 I HN 0.084 nan 8.210 nan 0.000 0.410 152 Y N 0.862 121.182 120.300 0.034 0.000 2.145 152 Y HA -0.281 4.269 4.550 0.000 0.000 0.286 152 Y C 2.299 178.429 175.900 0.383 0.000 1.145 152 Y CA 1.664 59.911 58.100 0.246 0.000 1.148 152 Y CB -0.211 38.282 38.460 0.054 0.000 0.981 152 Y HN 0.105 nan 8.280 nan 0.000 0.507 153 W N 0.687 122.202 121.300 0.357 0.000 2.321 153 W HA -0.207 4.453 4.660 -0.000 0.000 0.306 153 W C 2.700 179.273 176.519 0.090 0.000 1.217 153 W CA 1.679 59.162 57.345 0.231 0.000 1.257 153 W CB -1.268 28.297 29.460 0.176 0.000 1.145 153 W HN 0.146 nan 8.180 nan 0.000 0.509 154 R N 0.392 121.061 120.500 0.282 0.000 2.075 154 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 154 R C 1.458 177.730 176.300 -0.046 0.000 1.126 154 R CA 1.918 58.083 56.100 0.107 0.000 0.963 154 R CB -0.378 29.964 30.300 0.070 0.000 0.858 154 R HN -0.073 nan 8.270 nan 0.000 0.435 155 D N -0.749 119.562 120.400 -0.149 0.000 2.323 155 D HA -0.043 4.597 4.640 -0.000 0.000 0.209 155 D C 0.546 176.321 176.300 -0.876 0.000 0.973 155 D CA 0.801 54.523 54.000 -0.463 0.000 0.874 155 D CB 0.182 40.663 40.800 -0.532 0.000 0.930 155 D HN 0.221 nan 8.370 nan 0.000 0.521 156 F N 0.171 119.971 119.950 -0.250 0.000 2.639 156 F HA 0.234 4.761 4.527 -0.000 0.000 0.302 156 F C 0.600 176.350 175.800 -0.083 0.000 1.097 156 F CA -0.732 57.119 58.000 -0.249 0.000 1.294 156 F CB 0.040 38.704 39.000 -0.559 0.000 1.027 156 F HN -0.175 nan 8.300 nan 0.000 0.550 157 L N 3.992 125.216 121.223 0.002 0.000 2.485 157 L HA 0.143 4.483 4.340 -0.000 0.000 0.275 157 L C -1.408 175.469 176.870 0.012 0.000 1.207 157 L CA -0.880 53.981 54.840 0.035 0.000 0.855 157 L CB 0.279 42.342 42.059 0.006 0.000 1.114 157 L HN -0.126 nan 8.230 nan 0.000 0.485 158 P HA 0.031 nan 4.420 nan 0.000 0.249 158 P C 0.592 177.940 177.300 0.079 0.000 1.583 158 P CA -0.031 63.096 63.100 0.046 0.000 0.988 158 P CB 0.250 31.973 31.700 0.037 0.000 1.530 159 E N 0.756 121.030 120.200 0.123 0.000 2.070 159 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 159 E C 0.103 176.788 176.600 0.142 0.000 1.004 159 E CA 1.004 57.497 56.400 0.156 0.000 0.805 159 E CB -0.003 29.844 29.700 0.244 0.000 0.744 159 E HN 0.319 nan 8.360 nan 0.000 0.451 160 I N 1.682 122.342 120.570 0.150 0.000 2.478 160 I HA 0.216 4.386 4.170 -0.000 0.000 0.287 160 I C -0.834 175.234 176.117 -0.083 0.000 1.042 160 I CA -0.836 60.499 61.300 0.058 0.000 1.067 160 I CB 2.028 40.117 38.000 0.147 0.000 1.233 160 I HN -0.019 nan 8.210 nan 0.000 0.431 161 I N 8.042 128.539 120.570 -0.121 0.000 2.306 161 I HA 0.319 4.489 4.170 -0.000 0.000 0.288 161 I C -2.041 173.888 176.117 -0.313 0.000 1.036 161 I CA -2.479 58.719 61.300 -0.170 0.000 1.221 161 I CB 0.469 38.437 38.000 -0.054 0.000 1.385 161 I HN 0.227 nan 8.210 nan 0.000 0.472 162 P HA 0.195 nan 4.420 nan 0.000 0.271 162 P C 0.081 177.171 177.300 -0.350 0.000 1.218 162 P CA -0.084 62.611 63.100 -0.674 0.000 0.780 162 P CB 0.523 31.425 31.700 -1.331 0.000 0.901 163 T N -1.877 112.535 114.554 -0.238 0.000 2.824 163 T HA 0.115 4.465 4.350 -0.000 0.000 0.277 163 T C 1.284 175.925 174.700 -0.099 0.000 0.975 163 T CA -0.451 61.561 62.100 -0.147 0.000 0.966 163 T CB 0.737 69.558 68.868 -0.080 0.000 1.054 163 T HN 0.482 nan 8.240 nan 0.000 0.533 164 Q N -0.077 119.665 119.800 -0.098 0.000 2.096 164 Q HA -0.223 4.117 4.340 -0.000 0.000 0.204 164 Q C 2.156 178.238 176.000 0.138 0.000 0.982 164 Q CA 2.009 57.781 55.803 -0.052 0.000 0.850 164 Q CB -0.175 28.521 28.738 -0.070 0.000 0.901 164 Q HN 0.914 nan 8.270 nan 0.000 0.422 165 E N -0.161 120.105 120.200 0.110 0.000 2.058 165 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 165 E C 2.003 178.702 176.600 0.166 0.000 0.997 165 E CA 1.459 57.946 56.400 0.145 0.000 0.801 165 E CB -0.078 29.681 29.700 0.098 0.000 0.746 165 E HN 0.439 nan 8.360 nan 0.000 0.450 166 M N -0.426 119.253 119.600 0.131 0.000 2.117 166 M HA -0.161 4.319 4.480 -0.000 0.000 0.262 166 M C 2.227 178.738 176.300 0.352 0.000 1.065 166 M CA 1.592 57.008 55.300 0.194 0.000 1.114 166 M CB -0.426 32.200 32.600 0.042 0.000 1.361 166 M HN 0.254 nan 8.290 nan 0.000 0.408 167 Y N 1.167 121.571 120.300 0.173 0.000 2.128 167 Y HA -0.239 4.311 4.550 -0.000 0.000 0.284 167 Y C 1.869 177.933 175.900 0.274 0.000 1.154 167 Y CA 1.732 60.005 58.100 0.289 0.000 1.149 167 Y CB -0.236 38.297 38.460 0.122 0.000 0.976 167 Y HN 0.078 nan 8.280 nan 0.000 0.505 168 L N 0.239 121.681 121.223 0.365 0.000 2.093 168 L HA -0.229 4.111 4.340 -0.000 0.000 0.208 168 L C 2.093 179.025 176.870 0.103 0.000 1.085 168 L CA 1.152 56.145 54.840 0.256 0.000 0.755 168 L CB -0.610 41.653 42.059 0.340 0.000 0.904 168 L HN 0.285 nan 8.230 nan 0.000 0.435 169 N N -0.260 118.516 118.700 0.126 0.000 2.188 169 N HA -0.188 4.552 4.740 -0.000 0.000 0.184 169 N C 1.829 177.357 175.510 0.030 0.000 1.018 169 N CA 1.139 54.239 53.050 0.083 0.000 0.858 169 N CB -0.258 38.295 38.487 0.110 0.000 0.989 169 N HN 0.255 nan 8.380 nan 0.000 0.426 170 M N 0.897 120.518 119.600 0.034 0.000 2.117 170 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 170 M C 1.512 177.728 176.300 -0.139 0.000 1.065 170 M CA 1.223 56.468 55.300 -0.091 0.000 1.114 170 M CB -0.328 32.184 32.600 -0.146 0.000 1.361 170 M HN -0.117 nan 8.290 nan 0.000 0.408 171 V N 0.785 120.586 119.914 -0.188 0.000 2.358 171 V HA -0.289 3.830 4.120 -0.000 0.000 0.246 171 V C 2.711 178.772 176.094 -0.055 0.000 1.047 171 V CA 1.375 63.586 62.300 -0.149 0.000 1.035 171 V CB -0.712 30.998 31.823 -0.189 0.000 0.658 171 V HN 0.455 nan 8.190 nan 0.000 0.452 172 M N -0.040 119.540 119.600 -0.033 0.000 2.149 172 M HA -0.171 4.309 4.480 -0.000 0.000 0.261 172 M C 2.059 178.347 176.300 -0.020 0.000 1.064 172 M CA 1.671 56.961 55.300 -0.017 0.000 1.102 172 M CB -1.311 31.291 32.600 0.002 0.000 1.369 172 M HN 0.481 nan 8.290 nan 0.000 0.408 173 N N -0.167 118.513 118.700 -0.034 0.000 2.132 173 N HA -0.128 4.612 4.740 -0.000 0.000 0.187 173 N C 1.755 177.236 175.510 -0.048 0.000 1.038 173 N CA 1.018 54.043 53.050 -0.042 0.000 0.846 173 N CB -0.189 38.264 38.487 -0.058 0.000 1.012 173 N HN 0.376 nan 8.380 nan 0.000 0.429 174 K N 0.683 121.045 120.400 -0.063 0.000 1.973 174 K HA -0.085 4.235 4.320 -0.000 0.000 0.212 174 K C 1.763 178.360 176.600 -0.005 0.000 1.047 174 K CA 1.828 58.080 56.287 -0.059 0.000 0.937 174 K CB -0.065 32.394 32.500 -0.068 0.000 0.721 174 K HN 0.083 nan 8.250 nan 0.000 0.440 175 T N -0.628 113.951 114.554 0.041 0.000 2.937 175 T HA 0.023 4.373 4.350 -0.000 0.000 0.260 175 T C 1.791 176.608 174.700 0.196 0.000 1.051 175 T CA 0.848 63.033 62.100 0.141 0.000 1.141 175 T CB -0.166 68.813 68.868 0.186 0.000 0.879 175 T HN 0.483 nan 8.240 nan 0.000 0.459 176 G N 1.159 110.010 108.800 0.086 0.000 2.448 176 G HA2 0.009 3.969 3.960 -0.000 0.000 0.219 176 G HA3 0.009 3.969 3.960 -0.000 0.000 0.219 176 G C 1.655 176.613 174.900 0.097 0.000 1.127 176 G CA 0.821 45.966 45.100 0.076 0.000 0.766 176 G HN 0.542 nan 8.290 nan 0.000 0.552 177 G N 1.188 110.012 108.800 0.039 0.000 2.514 177 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 177 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 177 G C 1.715 176.600 174.900 -0.025 0.000 1.198 177 G CA 0.851 45.944 45.100 -0.012 0.000 0.780 177 G HN 0.421 nan 8.290 nan 0.000 0.565 178 L N -1.000 120.194 121.223 -0.047 0.000 2.240 178 L HA 0.144 4.484 4.340 -0.000 0.000 0.211 178 L C 2.703 179.484 176.870 -0.148 0.000 1.106 178 L CA 0.207 54.963 54.840 -0.141 0.000 0.793 178 L CB -0.332 41.589 42.059 -0.231 0.000 0.927 178 L HN 0.125 nan 8.230 nan 0.000 0.446 179 F N 0.546 120.422 119.950 -0.123 0.000 2.102 179 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 179 F C 2.781 178.540 175.800 -0.069 0.000 1.105 179 F CA 1.484 59.419 58.000 -0.109 0.000 1.239 179 F CB -0.309 38.622 39.000 -0.116 0.000 0.991 179 F HN -0.091 nan 8.300 nan 0.000 0.474 180 R N -0.400 120.188 120.500 0.148 0.000 2.092 180 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 180 R C 2.099 178.419 176.300 0.032 0.000 1.119 180 R CA 0.978 57.122 56.100 0.074 0.000 0.970 180 R CB -0.773 29.555 30.300 0.046 0.000 0.864 180 R HN 0.212 nan 8.270 nan 0.000 0.440 181 L N 1.156 122.376 121.223 -0.004 0.000 2.012 181 L HA -0.162 4.178 4.340 -0.000 0.000 0.210 181 L C 1.718 178.583 176.870 -0.008 0.000 1.073 181 L CA 2.044 56.868 54.840 -0.026 0.000 0.748 181 L CB -1.181 40.826 42.059 -0.087 0.000 0.891 181 L HN 0.087 nan 8.230 nan 0.000 0.431 182 T N 0.243 114.782 114.554 -0.024 0.000 2.674 182 T HA -0.194 4.156 4.350 -0.000 0.000 0.265 182 T C 1.880 176.586 174.700 0.009 0.000 1.039 182 T CA 1.736 63.824 62.100 -0.020 0.000 1.150 182 T CB -0.503 68.329 68.868 -0.060 0.000 0.864 182 T HN 0.321 nan 8.240 nan 0.000 0.427 183 L N 1.204 122.446 121.223 0.032 0.000 2.046 183 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 183 L C 2.453 179.344 176.870 0.035 0.000 1.077 183 L CA 1.699 56.566 54.840 0.045 0.000 0.747 183 L CB -0.459 41.650 42.059 0.083 0.000 0.896 183 L HN 0.089 nan 8.230 nan 0.000 0.432 184 R N -1.018 119.504 120.500 0.037 0.000 2.092 184 R HA -0.077 4.263 4.340 -0.000 0.000 0.231 184 R C 2.266 178.585 176.300 0.031 0.000 1.119 184 R CA 1.409 57.531 56.100 0.037 0.000 0.970 184 R CB -0.432 29.889 30.300 0.034 0.000 0.864 184 R HN 0.377 nan 8.270 nan 0.000 0.440 185 L N 0.137 121.376 121.223 0.027 0.000 2.046 185 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 185 L C 2.485 179.367 176.870 0.020 0.000 1.077 185 L CA 1.388 56.243 54.840 0.026 0.000 0.747 185 L CB -0.297 41.781 42.059 0.031 0.000 0.896 185 L HN 0.248 nan 8.230 nan 0.000 0.432 186 M N -0.881 118.725 119.600 0.011 0.000 2.132 186 M HA -0.186 4.294 4.480 -0.000 0.000 0.263 186 M C 2.099 178.389 176.300 -0.016 0.000 1.065 186 M CA 1.637 56.934 55.300 -0.006 0.000 1.122 186 M CB -0.340 32.249 32.600 -0.018 0.000 1.365 186 M HN 0.189 nan 8.290 nan 0.000 0.411 187 E N 0.409 120.603 120.200 -0.009 0.000 2.150 187 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 187 E C 2.074 178.712 176.600 0.063 0.000 0.985 187 E CA 1.154 57.558 56.400 0.006 0.000 0.814 187 E CB -0.101 29.624 29.700 0.042 0.000 0.752 187 E HN 0.501 nan 8.360 nan 0.000 0.466 188 A N 0.876 123.727 122.820 0.050 0.000 1.968 188 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 188 A C 2.057 179.674 177.584 0.054 0.000 1.169 188 A CA 0.838 52.909 52.037 0.055 0.000 0.638 188 A CB -0.281 18.745 19.000 0.043 0.000 0.812 188 A HN 0.123 nan 8.150 nan 0.000 0.446 189 L N -0.416 120.833 121.223 0.043 0.000 2.509 189 L HA 0.084 4.424 4.340 -0.000 0.000 0.222 189 L C 1.297 178.194 176.870 0.046 0.000 1.123 189 L CA -0.032 54.832 54.840 0.041 0.000 0.856 189 L CB -0.116 41.961 42.059 0.030 0.000 0.985 189 L HN 0.286 nan 8.230 nan 0.000 0.456 190 S N 1.590 117.324 115.700 0.056 0.000 2.575 190 S HA 0.042 4.512 4.470 -0.000 0.000 0.295 190 S C -1.121 173.538 174.600 0.099 0.000 1.267 190 S CA -0.956 57.289 58.200 0.076 0.000 1.074 190 S CB 0.559 63.830 63.200 0.118 0.000 0.829 190 S HN 0.108 nan 8.310 nan 0.000 0.497 191 P HA 0.181 nan 4.420 nan 0.000 0.261 191 P C 0.066 177.407 177.300 0.068 0.000 1.268 191 P CA -0.139 62.996 63.100 0.059 0.000 0.833 191 P CB 0.261 31.984 31.700 0.039 0.000 1.231 196 G N 2.172 110.957 108.800 -0.024 0.000 2.760 196 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.246 196 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.246 196 G C 0.045 174.910 174.900 -0.059 0.000 1.359 196 G CA -0.274 44.776 45.100 -0.083 0.000 0.861 196 G HN 0.948 nan 8.290 nan 0.000 0.541 197 H N -0.568 118.536 119.070 0.056 0.000 2.913 197 H HA 0.465 5.020 4.556 -0.000 0.000 0.365 197 H C 0.985 176.373 175.328 0.100 0.000 1.155 197 H CA 0.441 56.526 56.048 0.062 0.000 1.417 197 H CB 0.347 30.134 29.762 0.042 0.000 1.386 197 H HN 0.858 nan 8.280 nan 0.000 0.614 198 S N 0.422 116.273 115.700 0.252 0.000 2.566 198 S HA 0.013 4.483 4.470 -0.000 0.000 0.280 198 S C 1.320 176.089 174.600 0.281 0.000 1.343 198 S CA -0.722 57.601 58.200 0.206 0.000 1.036 198 S CB -0.006 63.298 63.200 0.173 0.000 0.866 198 S HN 0.586 nan 8.310 nan 0.000 0.526 199 L N 4.757 126.099 121.223 0.198 0.000 2.653 199 L HA 0.129 4.469 4.340 -0.000 0.000 0.231 199 L C 1.725 178.750 176.870 0.259 0.000 1.153 199 L CA -0.087 54.907 54.840 0.256 0.000 0.933 199 L CB -0.231 41.942 42.059 0.189 0.000 1.175 199 L HN 0.529 nan 8.230 nan 0.000 0.473 200 V N 1.264 121.291 119.914 0.189 0.000 2.332 200 V HA -0.168 3.952 4.120 -0.000 0.000 0.248 200 V C -0.107 176.059 176.094 0.118 0.000 1.055 200 V CA 2.081 64.461 62.300 0.133 0.000 1.038 200 V CB -1.071 30.812 31.823 0.100 0.000 0.651 200 V HN 0.366 nan 8.190 nan 0.000 0.450 201 P HA -0.174 nan 4.420 nan 0.000 0.216 201 P C 1.727 179.073 177.300 0.077 0.000 1.153 201 P CA 1.371 64.538 63.100 0.112 0.000 0.848 201 P CB -0.135 31.675 31.700 0.183 0.000 0.787 202 F N -0.041 119.930 119.950 0.035 0.000 2.134 202 F HA -0.171 4.356 4.527 0.000 0.000 0.299 202 F C 1.913 177.676 175.800 -0.062 0.000 1.097 202 F CA 1.289 59.281 58.000 -0.015 0.000 1.264 202 F CB -0.869 38.188 39.000 0.094 0.000 1.001 202 F HN -0.240 nan 8.300 nan 0.000 0.479 203 I N 0.987 121.510 120.570 -0.078 0.000 2.394 203 I HA -0.261 3.909 4.170 -0.000 0.000 0.251 203 I C 1.968 177.885 176.117 -0.333 0.000 1.136 203 I CA 1.448 62.613 61.300 -0.225 0.000 1.425 203 I CB -0.915 37.109 38.000 0.040 0.000 1.079 203 I HN 0.207 nan 8.210 nan 0.000 0.425 204 N N -0.415 118.163 118.700 -0.204 0.000 2.188 204 N HA -0.195 4.545 4.740 -0.000 0.000 0.184 204 N C 1.739 177.075 175.510 -0.289 0.000 1.018 204 N CA 0.901 53.829 53.050 -0.202 0.000 0.858 204 N CB -0.126 38.301 38.487 -0.099 0.000 0.989 204 N HN 0.193 nan 8.380 nan 0.000 0.426 205 L N 0.669 121.696 121.223 -0.325 0.000 2.093 205 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 205 L C 1.757 178.377 176.870 -0.417 0.000 1.085 205 L CA 1.215 55.849 54.840 -0.343 0.000 0.755 205 L CB -0.455 41.376 42.059 -0.380 0.000 0.904 205 L HN 0.128 nan 8.230 nan 0.000 0.435 206 L N -0.244 120.615 121.223 -0.606 0.000 2.046 206 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 206 L C 2.453 178.904 176.870 -0.698 0.000 1.077 206 L CA 1.978 56.439 54.840 -0.633 0.000 0.747 206 L CB -1.508 40.096 42.059 -0.759 0.000 0.896 206 L HN 0.354 nan 8.230 nan 0.000 0.432 207 G N -0.699 107.514 108.800 -0.978 0.000 2.440 207 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 207 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 207 G C 1.675 176.433 174.900 -0.238 0.000 1.154 207 G CA 1.139 45.723 45.100 -0.859 0.000 0.767 207 G HN 0.412 nan 8.290 nan 0.000 0.552 208 I N 0.395 120.849 120.570 -0.194 0.000 2.202 208 I HA -0.099 4.071 4.170 -0.000 0.000 0.242 208 I C 2.663 178.752 176.117 -0.046 0.000 1.091 208 I CA 0.711 61.981 61.300 -0.049 0.000 1.368 208 I CB -0.199 37.781 38.000 -0.033 0.000 1.058 208 I HN 0.131 nan 8.210 nan 0.000 0.410 209 I N -0.148 120.353 120.570 -0.117 0.000 2.163 209 I HA -0.367 3.803 4.170 -0.000 0.000 0.243 209 I C 2.641 178.713 176.117 -0.074 0.000 1.085 209 I CA 1.741 62.974 61.300 -0.111 0.000 1.347 209 I CB -0.533 37.385 38.000 -0.138 0.000 1.044 209 I HN 0.228 nan 8.210 nan 0.000 0.408 210 Y N 1.576 121.807 120.300 -0.114 0.000 2.114 210 Y HA -0.381 4.169 4.550 -0.000 0.000 0.282 210 Y C 2.676 178.596 175.900 0.034 0.000 1.165 210 Y CA 2.238 60.329 58.100 -0.015 0.000 1.148 210 Y CB -0.324 38.178 38.460 0.069 0.000 0.972 210 Y HN 0.136 nan 8.280 nan 0.000 0.504 211 Q N 0.559 120.388 119.800 0.048 0.000 2.079 211 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 211 Q C 2.105 178.116 176.000 0.019 0.000 0.974 211 Q CA 2.249 58.088 55.803 0.060 0.000 0.840 211 Q CB -0.475 28.384 28.738 0.202 0.000 0.898 211 Q HN 0.696 nan 8.270 nan 0.000 0.430 212 I N -0.147 120.429 120.570 0.009 0.000 2.394 212 I HA -0.220 3.950 4.170 -0.000 0.000 0.251 212 I C 2.499 178.568 176.117 -0.079 0.000 1.136 212 I CA 1.113 62.378 61.300 -0.059 0.000 1.425 212 I CB -0.298 37.507 38.000 -0.324 0.000 1.079 212 I HN 0.208 nan 8.210 nan 0.000 0.425 213 R N 1.083 121.503 120.500 -0.134 0.000 2.092 213 R HA -0.221 4.119 4.340 -0.000 0.000 0.231 213 R C 2.041 178.284 176.300 -0.095 0.000 1.119 213 R CA 1.937 57.976 56.100 -0.101 0.000 0.970 213 R CB -0.228 29.979 30.300 -0.155 0.000 0.864 213 R HN 0.252 nan 8.270 nan 0.000 0.440 214 D N 0.645 120.900 120.400 -0.241 0.000 2.092 214 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 214 D C 1.150 177.432 176.300 -0.029 0.000 0.994 214 D CA 1.838 55.715 54.000 -0.205 0.000 0.828 214 D CB -0.276 40.340 40.800 -0.307 0.000 0.963 214 D HN 0.212 nan 8.370 nan 0.000 0.450 215 D N -1.061 119.362 120.400 0.038 0.000 2.097 215 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 215 D C 1.861 178.223 176.300 0.103 0.000 0.989 215 D CA 0.915 54.976 54.000 0.102 0.000 0.827 215 D CB -0.734 40.173 40.800 0.177 0.000 0.966 215 D HN 0.353 nan 8.370 nan 0.000 0.456 216 Y N 1.363 121.648 120.300 -0.025 0.000 2.114 216 Y HA -0.137 4.413 4.550 0.000 0.000 0.284 216 Y C 2.170 178.049 175.900 -0.035 0.000 1.143 216 Y CA 1.379 59.460 58.100 -0.032 0.000 1.135 216 Y CB -0.487 37.935 38.460 -0.063 0.000 0.980 216 Y HN -0.086 nan 8.280 nan 0.000 0.499 217 L N 0.565 121.762 121.223 -0.043 0.000 2.131 217 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 217 L C 2.487 179.281 176.870 -0.127 0.000 1.092 217 L CA 1.526 56.277 54.840 -0.148 0.000 0.759 217 L CB -0.781 41.243 42.059 -0.058 0.000 0.903 217 L HN 0.427 nan 8.230 nan 0.000 0.435 218 N N 0.786 119.449 118.700 -0.061 0.000 2.205 218 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 218 N C 1.788 177.277 175.510 -0.034 0.000 1.015 218 N CA 1.283 54.325 53.050 -0.013 0.000 0.862 218 N CB 0.159 38.667 38.487 0.035 0.000 0.986 218 N HN 0.377 nan 8.380 nan 0.000 0.429 219 L N -0.127 121.039 121.223 -0.095 0.000 2.253 219 L HA 0.048 4.388 4.340 -0.000 0.000 0.205 219 L C 2.347 179.148 176.870 -0.115 0.000 1.078 219 L CA 0.434 55.219 54.840 -0.091 0.000 0.805 219 L CB -0.193 41.800 42.059 -0.109 0.000 0.963 219 L HN -0.031 nan 8.230 nan 0.000 0.459 220 K N 0.484 120.701 120.400 -0.305 0.000 2.167 220 K HA -0.103 4.217 4.320 -0.000 0.000 0.203 220 K C 1.512 178.014 176.600 -0.163 0.000 1.052 220 K CA 1.031 57.115 56.287 -0.338 0.000 0.956 220 K CB 0.003 32.078 32.500 -0.707 0.000 0.735 220 K HN 0.158 nan 8.250 nan 0.000 0.451 221 D N -0.639 119.692 120.400 -0.115 0.000 2.269 221 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 221 D C 1.413 177.722 176.300 0.015 0.000 0.963 221 D CA 0.641 54.603 54.000 -0.063 0.000 0.864 221 D CB -0.040 40.714 40.800 -0.078 0.000 0.936 221 D HN 0.164 nan 8.370 nan 0.000 0.505 222 F N 1.298 121.187 119.950 -0.103 0.000 2.147 222 F HA 0.032 4.559 4.527 -0.000 0.000 0.291 222 F C 1.471 177.238 175.800 -0.056 0.000 1.093 222 F CA 0.526 58.492 58.000 -0.057 0.000 1.263 222 F CB -0.088 38.903 39.000 -0.015 0.000 1.036 222 F HN -0.199 nan 8.300 nan 0.000 0.481 231 A N 1.124 123.957 122.820 0.022 0.000 2.640 231 A HA -0.296 4.024 4.320 -0.000 0.000 0.300 231 A C 1.321 178.780 177.584 -0.209 0.000 1.499 231 A CA 1.436 53.305 52.037 -0.279 0.000 0.759 231 A CB -2.324 16.169 19.000 -0.846 0.000 1.048 231 A HN 0.649 nan 8.150 nan 0.000 0.450 232 E N 0.344 120.512 120.200 -0.054 0.000 2.265 232 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 232 E C 1.211 177.710 176.600 -0.169 0.000 0.996 232 E CA 1.608 57.797 56.400 -0.351 0.000 0.832 232 E CB -0.088 29.192 29.700 -0.699 0.000 0.756 232 E HN 0.675 nan 8.360 nan 0.000 0.491 233 D N -0.306 120.056 120.400 -0.063 0.000 2.263 233 D HA -0.123 4.517 4.640 -0.000 0.000 0.208 233 D C 1.694 177.954 176.300 -0.067 0.000 0.971 233 D CA 0.774 54.752 54.000 -0.036 0.000 0.867 233 D CB -0.046 40.759 40.800 0.008 0.000 0.929 233 D HN 0.363 nan 8.370 nan 0.000 0.492 234 I N 0.392 120.894 120.570 -0.113 0.000 2.286 234 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 234 I C 2.103 178.153 176.117 -0.111 0.000 1.104 234 I CA 0.903 62.136 61.300 -0.112 0.000 1.397 234 I CB -0.225 37.686 38.000 -0.148 0.000 1.072 234 I HN -0.061 nan 8.210 nan 0.000 0.417 235 T N -0.068 114.399 114.554 -0.144 0.000 2.788 235 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 235 T C 1.770 176.407 174.700 -0.104 0.000 1.044 235 T CA 1.435 63.456 62.100 -0.133 0.000 1.139 235 T CB -0.232 68.529 68.868 -0.179 0.000 0.867 235 T HN 0.434 nan 8.240 nan 0.000 0.454 236 E N 0.565 120.708 120.200 -0.095 0.000 2.152 236 E HA -0.003 4.347 4.350 -0.000 0.000 0.192 236 E C 1.594 178.164 176.600 -0.049 0.000 0.983 236 E CA 0.728 57.089 56.400 -0.065 0.000 0.818 236 E CB -0.239 29.436 29.700 -0.042 0.000 0.758 236 E HN 0.528 nan 8.360 nan 0.000 0.467 237 G N 1.795 110.567 108.800 -0.046 0.000 2.141 237 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.242 237 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.242 237 G C 0.132 175.033 174.900 0.002 0.000 0.982 237 G CA 0.396 45.476 45.100 -0.034 0.000 0.662 237 G HN 0.331 nan 8.290 nan 0.000 0.527 238 K N 0.391 120.803 120.400 0.020 0.000 2.489 238 K HA 0.261 4.581 4.320 -0.000 0.000 0.278 238 K C 0.815 177.476 176.600 0.101 0.000 1.000 238 K CA -0.452 55.879 56.287 0.073 0.000 1.012 238 K CB 0.061 32.607 32.500 0.077 0.000 0.903 238 K HN 0.019 nan 8.250 nan 0.000 0.485 239 L N 5.337 126.667 121.223 0.179 0.000 2.391 239 L HA 0.053 4.393 4.340 -0.000 0.000 0.249 239 L C 0.441 177.465 176.870 0.257 0.000 1.308 239 L CA 0.402 55.356 54.840 0.189 0.000 1.209 239 L CB -1.203 41.023 42.059 0.278 0.000 1.401 239 L HN 0.695 nan 8.230 nan 0.000 0.416 240 S N -0.235 115.560 115.700 0.159 0.000 2.608 240 S HA 0.129 4.599 4.470 -0.000 0.000 0.261 240 S C 1.212 175.796 174.600 -0.026 0.000 1.314 240 S CA -0.429 57.881 58.200 0.182 0.000 0.992 240 S CB 0.767 64.035 63.200 0.113 0.000 0.935 240 S HN 0.382 nan 8.310 nan 0.000 0.564 241 F N 2.389 122.160 119.950 -0.297 0.000 2.095 241 F HA 0.076 4.603 4.527 0.000 0.000 0.298 241 F C -1.089 174.521 175.800 -0.317 0.000 1.104 241 F CA 1.396 58.981 58.000 -0.692 0.000 1.232 241 F CB -1.330 37.300 39.000 -0.618 0.000 0.987 241 F HN 0.463 nan 8.300 nan 0.000 0.475 242 P HA -0.165 nan 4.420 nan 0.000 0.217 242 P C 2.048 179.292 177.300 -0.093 0.000 1.150 242 P CA 1.372 64.464 63.100 -0.014 0.000 0.832 242 P CB -0.090 31.655 31.700 0.075 0.000 0.787 243 I N -1.033 119.481 120.570 -0.093 0.000 2.315 243 I HA -0.143 4.027 4.170 -0.000 0.000 0.248 243 I C 2.211 178.232 176.117 -0.160 0.000 1.117 243 I CA 1.388 62.630 61.300 -0.098 0.000 1.404 243 I CB -1.104 36.861 38.000 -0.057 0.000 1.071 243 I HN -0.129 nan 8.210 nan 0.000 0.419 244 V N 0.739 120.509 119.914 -0.241 0.000 2.295 244 V HA -0.303 3.817 4.120 -0.000 0.000 0.246 244 V C 2.622 178.511 176.094 -0.341 0.000 1.049 244 V CA 2.005 64.123 62.300 -0.302 0.000 1.024 244 V CB -0.988 30.596 31.823 -0.398 0.000 0.648 244 V HN 0.495 nan 8.190 nan 0.000 0.447 245 H N 0.757 119.503 119.070 -0.540 0.000 2.319 245 H HA -0.185 4.371 4.556 -0.000 0.000 0.299 245 H C 2.242 177.400 175.328 -0.283 0.000 1.092 245 H CA 2.140 57.877 56.048 -0.518 0.000 1.302 245 H CB -0.024 29.347 29.762 -0.652 0.000 1.373 245 H HN 0.382 nan 8.280 nan 0.000 0.497 246 A N 1.343 124.079 122.820 -0.139 0.000 1.908 246 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 246 A C 2.924 180.465 177.584 -0.072 0.000 1.181 246 A CA 1.415 53.396 52.037 -0.094 0.000 0.627 246 A CB -0.891 18.076 19.000 -0.055 0.000 0.818 246 A HN 0.444 nan 8.150 nan 0.000 0.445 247 L N -0.380 120.774 121.223 -0.115 0.000 2.093 247 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 247 L C 2.353 179.243 176.870 0.033 0.000 1.085 247 L CA 1.153 55.952 54.840 -0.069 0.000 0.755 247 L CB -0.532 41.436 42.059 -0.152 0.000 0.904 247 L HN 0.443 nan 8.230 nan 0.000 0.435 248 N N -0.323 118.312 118.700 -0.109 0.000 2.216 248 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 248 N C 1.846 177.265 175.510 -0.151 0.000 1.017 248 N CA 1.158 54.126 53.050 -0.137 0.000 0.861 248 N CB -0.155 38.205 38.487 -0.210 0.000 0.986 248 N HN 0.205 nan 8.380 nan 0.000 0.428 249 F N 2.605 122.316 119.950 -0.397 0.000 2.095 249 F HA -0.233 4.294 4.527 -0.000 0.000 0.298 249 F C 2.663 178.360 175.800 -0.173 0.000 1.104 249 F CA 1.959 59.742 58.000 -0.362 0.000 1.232 249 F CB -0.601 38.087 39.000 -0.519 0.000 0.987 249 F HN 0.045 nan 8.300 nan 0.000 0.475 250 T N -1.467 113.175 114.554 0.146 0.000 2.746 250 T HA -0.266 4.084 4.350 -0.000 0.000 0.267 250 T C 2.023 176.687 174.700 -0.060 0.000 1.039 250 T CA 1.593 63.756 62.100 0.105 0.000 1.142 250 T CB -0.655 68.345 68.868 0.221 0.000 0.866 250 T HN 0.433 nan 8.240 nan 0.000 0.444 251 K N 1.073 121.419 120.400 -0.090 0.000 2.026 251 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 251 K C 2.377 178.848 176.600 -0.215 0.000 1.048 251 K CA 1.784 57.924 56.287 -0.244 0.000 0.929 251 K CB -0.681 31.663 32.500 -0.259 0.000 0.713 251 K HN 0.321 nan 8.250 nan 0.000 0.439 252 T N 1.376 115.793 114.554 -0.229 0.000 2.788 252 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 252 T C 1.395 175.926 174.700 -0.280 0.000 1.044 252 T CA 1.207 63.159 62.100 -0.246 0.000 1.139 252 T CB 0.005 68.705 68.868 -0.279 0.000 0.867 252 T HN 0.202 nan 8.240 nan 0.000 0.454 253 K N 0.391 120.567 120.400 -0.374 0.000 2.444 253 K HA 0.245 4.565 4.320 -0.000 0.000 0.193 253 K C 1.518 178.002 176.600 -0.193 0.000 1.024 253 K CA 0.469 56.550 56.287 -0.344 0.000 1.077 253 K CB 0.099 32.273 32.500 -0.543 0.000 0.833 253 K HN 0.467 nan 8.250 nan 0.000 0.517 254 G N 2.006 110.710 108.800 -0.161 0.000 2.143 254 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.248 254 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.248 254 G C -0.008 174.850 174.900 -0.070 0.000 0.991 254 G CA -0.009 45.025 45.100 -0.110 0.000 0.689 254 G HN 0.430 nan 8.290 nan 0.000 0.522 255 Q N 0.658 120.427 119.800 -0.053 0.000 3.184 255 Q HA 0.280 4.620 4.340 -0.000 0.000 0.288 255 Q C 1.732 177.749 176.000 0.028 0.000 1.412 255 Q CA 0.337 56.147 55.803 0.011 0.000 0.991 255 Q CB -0.020 28.758 28.738 0.067 0.000 1.688 255 Q HN 0.449 nan 8.270 nan 0.000 0.554 256 T N 0.500 115.052 114.554 -0.003 0.000 2.665 256 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 256 T C 1.612 176.347 174.700 0.057 0.000 1.035 256 T CA 1.741 63.844 62.100 0.005 0.000 1.151 256 T CB 0.081 68.938 68.868 -0.018 0.000 0.862 256 T HN 0.466 nan 8.240 nan 0.000 0.438 257 E N 0.974 121.200 120.200 0.043 0.000 2.072 257 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 257 E C 2.268 178.902 176.600 0.058 0.000 0.985 257 E CA 1.264 57.690 56.400 0.044 0.000 0.801 257 E CB -0.182 29.536 29.700 0.030 0.000 0.750 257 E HN 0.457 nan 8.360 nan 0.000 0.452 258 Q N -1.253 118.590 119.800 0.070 0.000 2.079 258 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 258 Q C 1.957 178.002 176.000 0.075 0.000 0.974 258 Q CA 1.655 57.500 55.803 0.069 0.000 0.840 258 Q CB -0.363 28.427 28.738 0.086 0.000 0.898 258 Q HN 0.499 nan 8.270 nan 0.000 0.430 259 H N 0.554 119.627 119.070 0.004 0.000 2.290 259 H HA -0.081 4.475 4.556 -0.000 0.000 0.298 259 H C 1.373 176.692 175.328 -0.014 0.000 1.087 259 H CA 2.160 58.201 56.048 -0.011 0.000 1.291 259 H CB -0.039 29.709 29.762 -0.024 0.000 1.369 259 H HN 0.316 nan 8.280 nan 0.000 0.492 260 N N -0.683 118.093 118.700 0.127 0.000 2.223 260 N HA -0.159 4.581 4.740 -0.000 0.000 0.185 260 N C 1.700 177.204 175.510 -0.011 0.000 1.016 260 N CA 0.865 53.945 53.050 0.050 0.000 0.863 260 N CB 0.017 38.546 38.487 0.069 0.000 0.983 260 N HN 0.415 nan 8.380 nan 0.000 0.429 261 E N 1.456 121.653 120.200 -0.004 0.000 2.107 261 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 261 E C 1.720 178.296 176.600 -0.039 0.000 0.982 261 E CA 0.738 57.130 56.400 -0.013 0.000 0.809 261 E CB -0.071 29.631 29.700 0.004 0.000 0.756 261 E HN 0.305 nan 8.360 nan 0.000 0.459 262 I N 0.273 120.804 120.570 -0.066 0.000 2.163 262 I HA -0.298 3.872 4.170 -0.000 0.000 0.243 262 I C 2.267 178.317 176.117 -0.111 0.000 1.085 262 I CA 1.051 62.295 61.300 -0.094 0.000 1.347 262 I CB -0.302 37.618 38.000 -0.132 0.000 1.044 262 I HN 0.162 nan 8.210 nan 0.000 0.408 263 L N 0.082 121.215 121.223 -0.150 0.000 2.042 263 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 263 L C 2.782 179.609 176.870 -0.072 0.000 1.076 263 L CA 1.384 56.151 54.840 -0.121 0.000 0.749 263 L CB -0.659 41.327 42.059 -0.122 0.000 0.893 263 L HN 0.236 nan 8.230 nan 0.000 0.432 264 R N 0.662 121.130 120.500 -0.053 0.000 2.081 264 R HA -0.167 4.173 4.340 -0.000 0.000 0.235 264 R C 2.310 178.586 176.300 -0.040 0.000 1.131 264 R CA 1.524 57.602 56.100 -0.037 0.000 0.960 264 R CB -0.204 30.082 30.300 -0.024 0.000 0.856 264 R HN 0.309 nan 8.270 nan 0.000 0.436 265 I N 0.743 121.288 120.570 -0.042 0.000 2.252 265 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 265 I C 2.186 178.273 176.117 -0.050 0.000 1.102 265 I CA 1.105 62.381 61.300 -0.041 0.000 1.385 265 I CB -0.181 37.797 38.000 -0.036 0.000 1.064 265 I HN 0.240 nan 8.210 nan 0.000 0.414 266 L N 0.167 121.356 121.223 -0.057 0.000 2.042 266 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 266 L C 2.412 179.247 176.870 -0.058 0.000 1.076 266 L CA 1.344 56.149 54.840 -0.058 0.000 0.749 266 L CB -0.475 41.549 42.059 -0.059 0.000 0.893 266 L HN 0.279 nan 8.230 nan 0.000 0.432 267 L N -0.647 120.542 121.223 -0.057 0.000 2.376 267 L HA -0.150 4.190 4.340 -0.000 0.000 0.219 267 L C 2.292 179.129 176.870 -0.056 0.000 1.133 267 L CA 0.466 55.270 54.840 -0.059 0.000 0.816 267 L CB -0.242 41.785 42.059 -0.055 0.000 0.933 267 L HN 0.296 nan 8.230 nan 0.000 0.449 268 L N -0.655 120.538 121.223 -0.050 0.000 2.201 268 L HA -0.068 4.272 4.340 -0.000 0.000 0.212 268 L C 0.701 177.540 176.870 -0.052 0.000 1.105 268 L CA 0.087 54.900 54.840 -0.045 0.000 0.775 268 L CB -0.236 41.799 42.059 -0.039 0.000 0.913 268 L HN 0.271 nan 8.230 nan 0.000 0.440 269 R N 0.440 120.904 120.500 -0.060 0.000 3.264 269 R HA -0.155 4.185 4.340 -0.000 0.000 0.251 269 R C 0.236 176.496 176.300 -0.066 0.000 0.971 269 R CA 0.691 56.751 56.100 -0.067 0.000 0.658 269 R CB -2.975 27.285 30.300 -0.066 0.000 1.095 269 R HN 0.232 nan 8.270 nan 0.000 0.443 270 T N -1.242 113.273 114.554 -0.065 0.000 2.909 270 T HA 0.360 4.710 4.350 -0.000 0.000 0.289 270 T C 1.030 175.687 174.700 -0.072 0.000 1.005 270 T CA -0.052 62.013 62.100 -0.058 0.000 1.084 270 T CB 0.996 69.838 68.868 -0.043 0.000 0.975 270 T HN 0.266 nan 8.240 nan 0.000 0.509 271 S N 2.588 118.254 115.700 -0.056 0.000 2.540 271 S HA 0.130 4.600 4.470 -0.000 0.000 0.218 271 S C 0.343 174.936 174.600 -0.012 0.000 0.977 271 S CA -0.426 57.741 58.200 -0.056 0.000 0.918 271 S CB 0.042 63.212 63.200 -0.049 0.000 0.806 271 S HN 0.797 nan 8.310 nan 0.000 0.496 272 D N 2.152 122.550 120.400 -0.004 0.000 2.358 272 D HA 0.033 4.673 4.640 -0.000 0.000 0.258 272 D C 0.663 177.006 176.300 0.071 0.000 1.223 272 D CA 0.067 54.085 54.000 0.029 0.000 0.886 272 D CB 0.733 41.544 40.800 0.018 0.000 1.120 272 D HN -0.113 nan 8.370 nan 0.000 0.482 273 K N 3.068 123.548 120.400 0.134 0.000 2.147 273 K HA -0.095 4.225 4.320 -0.000 0.000 0.205 273 K C 1.176 177.917 176.600 0.235 0.000 1.049 273 K CA 0.869 57.321 56.287 0.275 0.000 0.936 273 K CB 0.063 32.747 32.500 0.306 0.000 0.722 273 K HN 0.563 nan 8.250 nan 0.000 0.446 274 D N 0.507 120.983 120.400 0.127 0.000 2.194 274 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 274 D C 2.014 178.365 176.300 0.085 0.000 0.964 274 D CA 0.609 54.667 54.000 0.098 0.000 0.846 274 D CB 0.123 40.958 40.800 0.057 0.000 0.962 274 D HN 0.166 nan 8.370 nan 0.000 0.490 275 I N 1.259 121.866 120.570 0.062 0.000 2.252 275 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 275 I C 2.394 178.533 176.117 0.036 0.000 1.102 275 I CA 0.985 62.306 61.300 0.035 0.000 1.385 275 I CB -0.093 37.914 38.000 0.012 0.000 1.064 275 I HN -0.120 nan 8.210 nan 0.000 0.414 276 K N 0.437 120.860 120.400 0.038 0.000 2.032 276 K HA -0.220 4.100 4.320 -0.000 0.000 0.209 276 K C 2.103 178.756 176.600 0.087 0.000 1.048 276 K CA 1.361 57.646 56.287 -0.003 0.000 0.927 276 K CB -0.314 32.099 32.500 -0.144 0.000 0.712 276 K HN 0.122 nan 8.250 nan 0.000 0.441 277 L N 2.003 123.352 121.223 0.211 0.000 2.083 277 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 277 L C 2.292 179.235 176.870 0.122 0.000 1.083 277 L CA 1.717 56.684 54.840 0.212 0.000 0.752 277 L CB -0.363 41.812 42.059 0.194 0.000 0.899 277 L HN 0.064 nan 8.230 nan 0.000 0.433 278 K N -0.803 119.651 120.400 0.091 0.000 2.032 278 K HA -0.238 4.082 4.320 -0.000 0.000 0.209 278 K C 2.152 178.787 176.600 0.060 0.000 1.048 278 K CA 1.937 58.267 56.287 0.071 0.000 0.927 278 K CB -0.409 32.121 32.500 0.049 0.000 0.712 278 K HN 0.290 nan 8.250 nan 0.000 0.441 279 L N 1.800 123.045 121.223 0.037 0.000 2.012 279 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 279 L C 2.067 178.945 176.870 0.012 0.000 1.073 279 L CA 1.603 56.451 54.840 0.013 0.000 0.748 279 L CB -0.356 41.694 42.059 -0.015 0.000 0.891 279 L HN 0.292 nan 8.230 nan 0.000 0.431 280 I N -0.686 119.899 120.570 0.024 0.000 2.264 280 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 280 I C 2.315 178.431 176.117 -0.001 0.000 1.111 280 I CA 0.983 62.290 61.300 0.011 0.000 1.382 280 I CB -0.417 37.617 38.000 0.057 0.000 1.060 280 I HN 0.409 nan 8.210 nan 0.000 0.418 281 Q N 0.244 120.079 119.800 0.058 0.000 2.245 281 Q HA -0.017 4.323 4.340 -0.000 0.000 0.201 281 Q C 2.282 178.361 176.000 0.130 0.000 0.955 281 Q CA 1.142 57.012 55.803 0.112 0.000 0.870 281 Q CB -0.035 28.865 28.738 0.269 0.000 0.945 281 Q HN 0.588 nan 8.270 nan 0.000 0.461 282 I N 0.434 121.055 120.570 0.085 0.000 2.252 282 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 282 I C 2.115 178.234 176.117 0.004 0.000 1.102 282 I CA 0.922 62.263 61.300 0.068 0.000 1.385 282 I CB -0.193 37.832 38.000 0.041 0.000 1.064 282 I HN 0.144 nan 8.210 nan 0.000 0.414 283 L N 0.188 121.389 121.223 -0.036 0.000 2.141 283 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 283 L C 2.531 179.314 176.870 -0.145 0.000 1.094 283 L CA 1.110 55.904 54.840 -0.077 0.000 0.763 283 L CB -0.495 41.528 42.059 -0.061 0.000 0.908 283 L HN 0.258 nan 8.230 nan 0.000 0.437 284 E N 0.585 120.650 120.200 -0.225 0.000 2.046 284 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 284 E C 1.824 178.100 176.600 -0.539 0.000 0.982 284 E CA 1.764 57.884 56.400 -0.467 0.000 0.800 284 E CB -0.115 29.102 29.700 -0.806 0.000 0.756 284 E HN 0.411 nan 8.360 nan 0.000 0.449 285 F N -0.408 119.530 119.950 -0.019 0.000 2.559 285 F HA 0.204 4.731 4.527 -0.000 0.000 0.286 285 F C 2.122 177.909 175.800 -0.022 0.000 1.108 285 F CA 0.500 58.491 58.000 -0.015 0.000 1.436 285 F CB 0.237 39.236 39.000 -0.001 0.000 1.130 285 F HN 0.095 nan 8.300 nan 0.000 0.584 286 D N 0.052 120.532 120.400 0.133 0.000 2.259 286 D HA -0.097 4.543 4.640 -0.000 0.000 0.216 286 D C 1.865 178.137 176.300 -0.047 0.000 0.961 286 D CA 1.907 55.958 54.000 0.086 0.000 0.878 286 D CB 0.232 41.091 40.800 0.099 0.000 1.009 286 D HN 0.317 nan 8.370 nan 0.000 0.490 287 T N -2.564 111.867 114.554 -0.205 0.000 3.001 287 T HA 0.080 4.430 4.350 -0.000 0.000 0.251 287 T C 0.656 174.985 174.700 -0.619 0.000 1.040 287 T CA -0.138 61.556 62.100 -0.676 0.000 0.985 287 T CB 0.111 68.732 68.868 -0.411 0.000 1.011 287 T HN 0.036 nan 8.240 nan 0.000 0.509 288 N N 1.346 119.870 118.700 -0.293 0.000 2.721 288 N HA -0.160 4.580 4.740 -0.000 0.000 0.249 288 N C 0.747 176.131 175.510 -0.211 0.000 1.072 288 N CA 0.884 53.812 53.050 -0.202 0.000 0.710 288 N CB -1.744 36.657 38.487 -0.143 0.000 0.993 288 N HN 0.468 nan 8.380 nan 0.000 0.547 289 S N 0.008 115.586 115.700 -0.203 0.000 2.406 289 S HA 0.054 4.524 4.470 -0.000 0.000 0.228 289 S C 2.085 176.633 174.600 -0.088 0.000 1.020 289 S CA 0.520 58.574 58.200 -0.243 0.000 0.965 289 S CB 0.213 63.394 63.200 -0.032 0.000 0.798 289 S HN 0.388 nan 8.310 nan 0.000 0.488 290 L N 1.014 122.217 121.223 -0.032 0.000 2.056 290 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 290 L C 2.810 179.749 176.870 0.115 0.000 1.078 290 L CA 1.176 56.083 54.840 0.112 0.000 0.749 290 L CB -0.755 41.333 42.059 0.048 0.000 0.901 290 L HN 0.313 nan 8.230 nan 0.000 0.433 291 A N -0.530 122.294 122.820 0.007 0.000 1.898 291 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 291 A C 2.214 179.779 177.584 -0.032 0.000 1.181 291 A CA 1.380 53.409 52.037 -0.013 0.000 0.620 291 A CB -0.891 18.094 19.000 -0.025 0.000 0.819 291 A HN 0.453 nan 8.150 nan 0.000 0.442 292 Y N 1.316 121.508 120.300 -0.180 0.000 2.128 292 Y HA -0.228 4.322 4.550 0.000 0.000 0.284 292 Y C 2.633 178.483 175.900 -0.083 0.000 1.154 292 Y CA 2.489 60.473 58.100 -0.192 0.000 1.149 292 Y CB -0.555 37.569 38.460 -0.558 0.000 0.976 292 Y HN 0.315 nan 8.280 nan 0.000 0.505 293 T N 0.450 115.032 114.554 0.046 0.000 2.777 293 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 293 T C 1.860 176.344 174.700 -0.360 0.000 1.040 293 T CA 1.585 63.667 62.100 -0.030 0.000 1.141 293 T CB -0.251 68.697 68.868 0.134 0.000 0.868 293 T HN 0.281 nan 8.240 nan 0.000 0.444 294 K N 1.347 121.472 120.400 -0.459 0.000 2.026 294 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 294 K C 2.352 178.755 176.600 -0.329 0.000 1.048 294 K CA 1.371 57.309 56.287 -0.583 0.000 0.929 294 K CB -0.252 32.034 32.500 -0.355 0.000 0.713 294 K HN 0.289 nan 8.250 nan 0.000 0.439 295 N N -0.249 118.309 118.700 -0.236 0.000 2.120 295 N HA -0.197 4.543 4.740 -0.000 0.000 0.188 295 N C 1.920 177.302 175.510 -0.214 0.000 1.024 295 N CA 1.121 54.051 53.050 -0.201 0.000 0.852 295 N CB -0.120 38.259 38.487 -0.179 0.000 1.003 295 N HN 0.173 nan 8.380 nan 0.000 0.424 296 F N 1.792 121.480 119.950 -0.438 0.000 2.102 296 F HA -0.065 4.463 4.527 0.000 0.000 0.298 296 F C 2.260 177.839 175.800 -0.369 0.000 1.105 296 F CA 1.127 58.873 58.000 -0.423 0.000 1.239 296 F CB -0.184 38.519 39.000 -0.495 0.000 0.991 296 F HN 0.004 nan 8.300 nan 0.000 0.474 297 I N 0.265 120.728 120.570 -0.178 0.000 2.163 297 I HA -0.385 3.785 4.170 -0.000 0.000 0.243 297 I C 2.000 177.985 176.117 -0.220 0.000 1.085 297 I CA 2.012 63.175 61.300 -0.227 0.000 1.347 297 I CB -0.743 37.076 38.000 -0.301 0.000 1.044 297 I HN 0.231 nan 8.210 nan 0.000 0.408 298 N N 0.130 118.702 118.700 -0.214 0.000 2.104 298 N HA -0.238 4.502 4.740 -0.000 0.000 0.190 298 N C 1.870 177.275 175.510 -0.174 0.000 1.024 298 N CA 1.079 54.026 53.050 -0.171 0.000 0.853 298 N CB -0.088 38.309 38.487 -0.149 0.000 1.008 298 N HN 0.437 nan 8.380 nan 0.000 0.424 299 Q N 0.726 120.390 119.800 -0.228 0.000 2.050 299 Q HA -0.091 4.249 4.340 -0.000 0.000 0.202 299 Q C 2.198 178.049 176.000 -0.248 0.000 0.980 299 Q CA 0.996 56.654 55.803 -0.242 0.000 0.840 299 Q CB -0.101 28.439 28.738 -0.330 0.000 0.898 299 Q HN 0.405 nan 8.270 nan 0.000 0.424 300 L N -0.149 120.885 121.223 -0.315 0.000 2.012 300 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 300 L C 2.369 179.137 176.870 -0.170 0.000 1.073 300 L CA 0.905 55.585 54.840 -0.266 0.000 0.748 300 L CB -0.612 41.288 42.059 -0.264 0.000 0.891 300 L HN 0.113 nan 8.230 nan 0.000 0.431 301 V N 0.099 119.928 119.914 -0.143 0.000 2.343 301 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 301 V C 2.151 178.217 176.094 -0.046 0.000 1.051 301 V CA 1.808 64.057 62.300 -0.084 0.000 1.036 301 V CB -0.699 31.075 31.823 -0.081 0.000 0.654 301 V HN 0.492 nan 8.190 nan 0.000 0.451 302 N N -0.269 118.393 118.700 -0.064 0.000 2.309 302 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 302 N C 1.707 177.216 175.510 -0.001 0.000 1.018 302 N CA 1.172 54.203 53.050 -0.032 0.000 0.876 302 N CB -0.357 38.100 38.487 -0.050 0.000 0.972 302 N HN 0.454 nan 8.380 nan 0.000 0.434 303 M N -0.216 119.375 119.600 -0.016 0.000 2.279 303 M HA -0.072 4.408 4.480 -0.000 0.000 0.264 303 M C 1.532 177.929 176.300 0.163 0.000 1.062 303 M CA 1.206 56.541 55.300 0.058 0.000 1.099 303 M CB -0.075 32.515 32.600 -0.017 0.000 1.394 303 M HN 0.105 nan 8.290 nan 0.000 0.426 304 I N -0.894 119.743 120.570 0.112 0.000 2.628 304 I HA -0.153 4.017 4.170 -0.000 0.000 0.255 304 I C 2.116 178.310 176.117 0.129 0.000 1.119 304 I CA 0.698 62.108 61.300 0.182 0.000 1.448 304 I CB -0.228 37.892 38.000 0.199 0.000 1.133 304 I HN 0.124 nan 8.210 nan 0.000 0.438 305 K N 0.904 121.352 120.400 0.081 0.000 2.280 305 K HA -0.087 4.233 4.320 -0.000 0.000 0.202 305 K C 0.732 177.360 176.600 0.047 0.000 1.047 305 K CA 0.941 57.264 56.287 0.059 0.000 0.942 305 K CB -0.048 32.473 32.500 0.036 0.000 0.739 305 K HN 0.249 nan 8.250 nan 0.000 0.457 306 N N 1.112 119.842 118.700 0.049 0.000 2.273 306 N HA -0.037 4.703 4.740 -0.000 0.000 0.231 306 N C -0.619 174.914 175.510 0.038 0.000 1.134 306 N CA 0.267 53.337 53.050 0.034 0.000 0.856 306 N CB 0.607 39.108 38.487 0.022 0.000 1.068 306 N HN 0.070 nan 8.380 nan 0.000 0.510 307 D N 0.080 120.517 120.400 0.060 0.000 2.896 307 D HA 0.161 4.801 4.640 -0.000 0.000 0.240 307 D C 0.792 177.098 176.300 0.010 0.000 1.193 307 D CA -0.164 53.861 54.000 0.042 0.000 0.983 307 D CB -0.262 40.611 40.800 0.121 0.000 1.074 307 D HN -0.093 nan 8.370 nan 0.000 0.496 308 N N 0.662 119.361 118.700 -0.001 0.000 2.223 308 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 308 N C 0.952 176.453 175.510 -0.015 0.000 1.016 308 N CA 0.879 53.926 53.050 -0.005 0.000 0.863 308 N CB 0.134 38.617 38.487 -0.006 0.000 0.983 308 N HN 0.512 nan 8.380 nan 0.000 0.429 309 E N 0.028 120.208 120.200 -0.033 0.000 2.511 309 E HA 0.021 4.371 4.350 -0.000 0.000 0.196 309 E C -0.305 176.277 176.600 -0.029 0.000 1.066 309 E CA 0.025 56.402 56.400 -0.039 0.000 0.871 309 E CB -0.179 29.481 29.700 -0.066 0.000 0.863 309 E HN 0.200 nan 8.360 nan 0.000 0.520 310 N N 1.410 120.098 118.700 -0.021 0.000 2.725 310 N HA -0.211 4.529 4.740 -0.000 0.000 0.251 310 N C 0.530 176.062 175.510 0.037 0.000 1.031 310 N CA 0.988 54.047 53.050 0.015 0.000 0.720 310 N CB -0.837 37.667 38.487 0.028 0.000 0.930 310 N HN 0.387 nan 8.380 nan 0.000 0.543 311 K N -0.963 119.356 120.400 -0.134 0.000 2.243 311 K HA -0.011 4.309 4.320 -0.000 0.000 0.201 311 K C 1.136 177.470 176.600 -0.442 0.000 1.051 311 K CA 0.807 56.876 56.287 -0.363 0.000 0.970 311 K CB 0.170 32.348 32.500 -0.536 0.000 0.755 311 K HN 0.452 nan 8.250 nan 0.000 0.465 312 Y N 0.357 120.641 120.300 -0.026 0.000 2.472 312 Y HA 0.185 4.735 4.550 0.000 0.000 0.288 312 Y C 0.809 176.746 175.900 0.063 0.000 1.154 312 Y CA -0.888 57.251 58.100 0.065 0.000 1.238 312 Y CB 0.354 38.896 38.460 0.136 0.000 1.287 312 Y HN -0.183 nan 8.280 nan 0.000 0.524 313 L N 2.874 124.139 121.223 0.070 0.000 2.479 313 L HA 0.077 4.417 4.340 -0.000 0.000 0.270 313 L C -1.896 174.931 176.870 -0.072 0.000 1.236 313 L CA -1.973 52.718 54.840 -0.248 0.000 0.823 313 L CB -0.159 41.794 42.059 -0.176 0.000 1.098 313 L HN -0.051 nan 8.230 nan 0.000 0.500 330 L N 1.313 122.624 121.223 0.147 0.000 2.109 330 L HA 0.030 4.370 4.340 -0.000 0.000 0.207 330 L C 2.187 179.199 176.870 0.235 0.000 1.086 330 L CA 1.026 55.986 54.840 0.200 0.000 0.760 330 L CB -0.262 41.895 42.059 0.162 0.000 0.910 330 L HN 0.200 nan 8.230 nan 0.000 0.437 331 L N -1.605 119.737 121.223 0.199 0.000 2.141 331 L HA -0.252 4.088 4.340 -0.000 0.000 0.209 331 L C 2.585 179.589 176.870 0.225 0.000 1.094 331 L CA 1.177 56.130 54.840 0.188 0.000 0.763 331 L CB -0.648 41.499 42.059 0.146 0.000 0.908 331 L HN 0.244 nan 8.230 nan 0.000 0.437 332 Y N 0.996 121.386 120.300 0.150 0.000 2.163 332 Y HA -0.219 4.331 4.550 0.000 0.000 0.288 332 Y C 2.402 178.492 175.900 0.317 0.000 1.136 332 Y CA 1.442 59.661 58.100 0.199 0.000 1.147 332 Y CB -0.156 38.361 38.460 0.096 0.000 0.987 332 Y HN -0.022 nan 8.280 nan 0.000 0.509 333 I N -0.042 120.701 120.570 0.288 0.000 2.208 333 I HA -0.348 3.822 4.170 -0.000 0.000 0.245 333 I C 2.316 178.587 176.117 0.257 0.000 1.097 333 I CA 1.603 63.089 61.300 0.310 0.000 1.363 333 I CB -0.442 37.719 38.000 0.269 0.000 1.051 333 I HN 0.258 nan 8.210 nan 0.000 0.413 334 I N 0.746 121.430 120.570 0.189 0.000 2.264 334 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 334 I C 1.667 177.810 176.117 0.043 0.000 1.111 334 I CA 1.419 62.788 61.300 0.115 0.000 1.382 334 I CB -0.442 37.621 38.000 0.106 0.000 1.060 334 I HN 0.300 nan 8.210 nan 0.000 0.418 335 D N -0.763 119.649 120.400 0.020 0.000 2.347 335 D HA -0.073 4.567 4.640 -0.000 0.000 0.213 335 D C 0.855 176.938 176.300 -0.362 0.000 0.985 335 D CA 0.951 54.874 54.000 -0.128 0.000 0.879 335 D CB -0.042 40.689 40.800 -0.115 0.000 0.919 335 D HN 0.482 nan 8.370 nan 0.000 0.526 336 H N -0.305 118.669 119.070 -0.160 0.000 2.475 336 H HA 0.188 4.744 4.556 -0.000 0.000 0.276 336 H C 1.334 176.536 175.328 -0.211 0.000 1.126 336 H CA -0.297 55.611 56.048 -0.233 0.000 1.023 336 H CB 0.487 30.082 29.762 -0.277 0.000 1.669 336 H HN -0.106 nan 8.280 nan 0.000 0.573 337 L N 0.505 121.740 121.223 0.018 0.000 2.127 337 L HA -0.163 4.177 4.340 -0.000 0.000 0.211 337 L C 1.861 178.809 176.870 0.129 0.000 1.089 337 L CA 1.528 56.456 54.840 0.147 0.000 0.757 337 L CB -0.485 41.669 42.059 0.159 0.000 0.899 337 L HN 0.240 nan 8.230 nan 0.000 0.434 338 S N -0.866 114.813 115.700 -0.035 0.000 2.419 338 S HA -0.137 4.333 4.470 -0.000 0.000 0.235 338 S C 0.796 175.376 174.600 -0.032 0.000 1.019 338 S CA 0.823 58.992 58.200 -0.052 0.000 0.982 338 S CB -0.717 62.407 63.200 -0.128 0.000 0.789 338 S HN 0.626 nan 8.310 nan 0.000 0.490 339 E N 0.000 120.043 120.200 -0.262 0.000 2.725 339 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 339 E CA 0.000 56.176 56.400 -0.374 0.000 0.976 339 E CB 0.000 29.261 29.700 -0.732 0.000 0.812 339 E HN 0.000 nan 8.360 nan 0.000 0.440