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 1cmp_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.665 176.870 -0.341 0.000 1.165 4 L CA 0.000 54.697 54.840 -0.238 0.000 0.813 4 L CB 0.000 41.879 42.059 -0.300 0.000 0.961 5 V N 2.023 121.706 119.914 -0.386 0.000 2.555 5 V HA 0.408 nan 4.120 nan 0.000 0.302 5 V C -1.165 174.597 176.094 -0.554 0.000 1.038 5 V CA -1.016 61.061 62.300 -0.371 0.000 0.887 5 V CB 1.727 33.429 31.823 -0.202 0.000 0.991 5 V HN -0.001 8.002 8.190 -0.312 0.000 0.434 6 H N 5.498 124.348 119.070 -0.366 0.000 2.792 6 H HA 0.279 nan 4.556 nan 0.000 0.298 6 H C -1.356 173.593 175.328 -0.631 0.000 1.042 6 H CA -1.120 54.480 56.048 -0.746 0.000 1.300 6 H CB 0.908 29.833 29.762 -1.395 0.000 1.431 6 H HN 0.464 8.507 8.280 -0.395 0.000 0.496 7 V N 4.355 124.137 119.914 -0.221 0.000 2.465 7 V HA 0.288 nan 4.120 nan 0.000 0.279 7 V C -0.657 175.431 176.094 -0.010 0.000 1.045 7 V CA -1.129 61.089 62.300 -0.138 0.000 0.938 7 V CB 0.502 32.285 31.823 -0.067 0.000 0.986 7 V HN 0.725 8.840 8.190 -0.125 0.000 0.467 8 A N 8.300 131.027 122.820 -0.156 0.000 2.524 8 A HA 0.079 nan 4.320 nan 0.000 0.250 8 A C -1.244 176.366 177.584 0.043 0.000 1.078 8 A CA 0.635 52.633 52.037 -0.064 0.000 0.761 8 A CB 0.207 19.026 19.000 -0.301 0.000 1.012 8 A HN 0.596 8.535 8.150 -0.350 0.000 0.500 9 S N 4.398 120.153 115.700 0.091 0.000 2.669 9 S HA 0.082 nan 4.470 nan 0.000 0.315 9 S C -0.620 174.049 174.600 0.115 0.000 1.106 9 S CA -0.702 57.554 58.200 0.094 0.000 1.107 9 S CB 0.764 64.023 63.200 0.098 0.000 0.990 9 S HN 0.080 8.377 8.310 0.103 0.075 0.471 10 V N 6.248 126.242 119.914 0.133 0.000 2.720 10 V HA -0.170 nan 4.120 nan 0.000 0.307 10 V C 0.053 176.277 176.094 0.217 0.000 1.071 10 V CA 0.530 62.950 62.300 0.200 0.000 1.199 10 V CB 0.289 32.235 31.823 0.205 0.000 0.900 10 V HN 0.229 8.487 8.190 0.114 0.000 0.494 11 E N 5.867 126.256 120.200 0.315 0.000 2.480 11 E HA -0.136 nan 4.350 nan 0.000 0.258 11 E C -0.556 176.139 176.600 0.159 0.000 0.984 11 E CA 0.536 57.104 56.400 0.280 0.000 0.930 11 E CB 0.454 30.427 29.700 0.455 0.000 0.936 11 E HN 0.278 8.897 8.360 0.432 0.000 0.466 12 K N 6.759 127.222 120.400 0.105 0.000 2.430 12 K HA -0.323 nan 4.320 nan 0.000 0.280 12 K C 0.434 177.019 176.600 -0.024 0.000 1.063 12 K CA 1.601 57.917 56.287 0.048 0.000 1.071 12 K CB -0.180 32.348 32.500 0.046 0.000 0.899 12 K HN 0.593 8.917 8.250 0.124 0.000 0.473 13 G N 3.848 112.636 108.800 -0.019 0.000 2.175 13 G HA2 -0.300 nan 3.960 nan 0.000 0.244 13 G HA3 -0.300 nan 3.960 nan 0.000 0.244 13 G C -0.205 174.620 174.900 -0.125 0.000 0.982 13 G CA -0.137 44.923 45.100 -0.066 0.000 0.641 13 G HN 0.254 8.559 8.290 0.025 0.000 0.527 14 R N 0.193 120.623 120.500 -0.117 0.000 2.428 14 R HA 0.378 nan 4.340 nan 0.000 0.294 14 R C -0.916 175.416 176.300 0.053 0.000 1.000 14 R CA -1.728 54.238 56.100 -0.223 0.000 0.960 14 R CB 1.138 31.153 30.300 -0.475 0.000 1.076 14 R HN -0.252 7.953 8.270 -0.030 0.048 0.475 15 S N 3.472 119.175 115.700 0.004 0.000 2.841 15 S HA 0.393 nan 4.470 nan 0.000 0.318 15 S C 0.152 174.851 174.600 0.166 0.000 1.127 15 S CA -1.316 57.001 58.200 0.194 0.000 0.883 15 S CB 1.992 65.258 63.200 0.110 0.000 1.271 15 S HN 0.277 8.829 8.310 -0.179 -0.348 0.567 16 Y N 2.284 122.528 120.300 -0.092 0.000 2.069 16 Y HA -0.469 nan 4.550 nan 0.000 0.278 16 Y C 1.058 176.891 175.900 -0.112 0.000 1.175 16 Y CA 4.029 61.854 58.100 -0.459 0.000 1.134 16 Y CB 0.042 38.255 38.460 -0.412 0.000 0.965 16 Y HN 0.465 8.887 8.280 0.237 0.000 0.498 17 E N -3.154 116.831 120.200 -0.358 0.000 2.160 17 E HA -0.402 nan 4.350 nan 0.000 0.195 17 E C 2.467 178.902 176.600 -0.274 0.000 0.991 17 E CA 3.285 59.468 56.400 -0.362 0.000 0.810 17 E CB -0.917 28.701 29.700 -0.136 0.000 0.742 17 E HN 0.272 8.594 8.360 -0.063 0.000 0.466 18 D N -0.164 120.087 120.400 -0.248 0.000 2.097 18 D HA -0.235 nan 4.640 nan 0.000 0.195 18 D C 2.363 178.551 176.300 -0.186 0.000 0.989 18 D CA 3.357 57.204 54.000 -0.255 0.000 0.827 18 D CB -0.184 40.260 40.800 -0.594 0.000 0.966 18 D HN -0.498 7.723 8.370 -0.228 0.012 0.456 19 F N -0.705 119.249 119.950 0.007 0.000 2.186 19 F HA -0.243 nan 4.527 nan 0.000 0.299 19 F C 2.024 177.541 175.800 -0.471 0.000 1.090 19 F CA 3.188 61.153 58.000 -0.058 0.000 1.307 19 F CB -0.354 38.811 39.000 0.275 0.000 1.019 19 F HN -0.773 7.454 8.300 -0.121 0.000 0.489 20 Q N -0.809 118.796 119.800 -0.325 0.000 2.234 20 Q HA -0.377 nan 4.340 nan 0.000 0.206 20 Q C 2.137 177.950 176.000 -0.312 0.000 0.980 20 Q CA 3.145 58.680 55.803 -0.446 0.000 0.869 20 Q CB -0.664 27.785 28.738 -0.481 0.000 0.912 20 Q HN 0.248 8.341 8.270 -0.296 0.000 0.436 21 K N -0.502 119.740 120.400 -0.264 0.000 2.103 21 K HA -0.241 nan 4.320 nan 0.000 0.204 21 K C 2.337 178.660 176.600 -0.462 0.000 1.052 21 K CA 3.249 59.414 56.287 -0.204 0.000 0.945 21 K CB -0.143 32.341 32.500 -0.027 0.000 0.722 21 K HN -0.586 7.402 8.250 -0.252 0.111 0.443 22 V N 0.651 120.109 119.914 -0.760 0.000 2.358 22 V HA -0.361 nan 4.120 nan 0.000 0.246 22 V C 1.707 177.485 176.094 -0.527 0.000 1.047 22 V CA 4.565 66.279 62.300 -0.976 0.000 1.035 22 V CB -1.018 30.293 31.823 -0.854 0.000 0.658 22 V HN -0.595 7.161 8.190 -0.594 0.078 0.452 23 Y N -0.290 119.637 120.300 -0.622 0.000 2.081 23 Y HA -0.620 nan 4.550 nan 0.000 0.280 23 Y C 1.470 177.176 175.900 -0.324 0.000 1.163 23 Y CA 3.661 61.436 58.100 -0.542 0.000 1.135 23 Y CB -0.228 37.765 38.460 -0.779 0.000 0.970 23 Y HN 0.141 8.128 8.280 -0.490 0.000 0.498 24 N N -1.066 117.682 118.700 0.080 0.000 2.094 24 N HA -0.550 nan 4.740 nan 0.000 0.191 24 N C 2.073 177.560 175.510 -0.040 0.000 1.023 24 N CA 3.095 56.182 53.050 0.061 0.000 0.857 24 N CB -0.175 38.331 38.487 0.031 0.000 1.013 24 N HN -0.052 8.341 8.380 0.021 0.000 0.426 25 A N 0.347 123.117 122.820 -0.084 0.000 1.902 25 A HA -0.248 nan 4.320 nan 0.000 0.217 25 A C 2.074 179.589 177.584 -0.115 0.000 1.181 25 A CA 2.996 55.003 52.037 -0.049 0.000 0.623 25 A CB -0.589 18.450 19.000 0.065 0.000 0.818 25 A HN -0.138 7.929 8.150 -0.138 0.000 0.443 26 I N -1.475 118.989 120.570 -0.177 0.000 2.179 26 I HA -0.570 nan 4.170 nan 0.000 0.242 26 I C 1.738 177.806 176.117 -0.083 0.000 1.088 26 I CA 4.059 65.284 61.300 -0.126 0.000 1.357 26 I CB -0.231 37.652 38.000 -0.194 0.000 1.051 26 I HN -0.111 7.958 8.210 -0.234 0.000 0.409 27 A N 0.139 122.847 122.820 -0.186 0.000 1.933 27 A HA -0.252 nan 4.320 nan 0.000 0.218 27 A C 2.055 179.629 177.584 -0.016 0.000 1.175 27 A CA 3.307 55.270 52.037 -0.125 0.000 0.628 27 A CB -0.703 18.212 19.000 -0.142 0.000 0.814 27 A HN 0.164 8.150 8.150 -0.274 0.000 0.444 28 L N -1.964 119.249 121.223 -0.017 0.000 2.046 28 L HA -0.309 nan 4.340 nan 0.000 0.208 28 L C 2.088 178.957 176.870 -0.002 0.000 1.077 28 L CA 2.420 57.259 54.840 -0.001 0.000 0.747 28 L CB -1.194 40.858 42.059 -0.010 0.000 0.896 28 L HN 0.071 8.280 8.230 -0.036 0.000 0.432 29 K N -0.286 120.092 120.400 -0.036 0.000 2.155 29 K HA -0.240 nan 4.320 nan 0.000 0.203 29 K C 2.487 179.180 176.600 0.154 0.000 1.052 29 K CA 3.237 59.480 56.287 -0.075 0.000 0.948 29 K CB -0.196 32.063 32.500 -0.402 0.000 0.728 29 K HN -0.652 7.562 8.250 -0.060 0.000 0.448 30 L N -1.546 119.834 121.223 0.262 0.000 2.017 30 L HA -0.392 nan 4.340 nan 0.000 0.208 30 L C 1.990 178.953 176.870 0.155 0.000 1.073 30 L CA 3.027 58.011 54.840 0.240 0.000 0.745 30 L CB -0.321 41.795 42.059 0.096 0.000 0.894 30 L HN 0.001 8.278 8.230 0.201 0.074 0.432 31 R N -2.552 118.009 120.500 0.101 0.000 2.096 31 R HA -0.347 nan 4.340 nan 0.000 0.240 31 R C 2.150 178.505 176.300 0.092 0.000 1.139 31 R CA 2.691 58.842 56.100 0.085 0.000 0.952 31 R CB 0.014 30.351 30.300 0.062 0.000 0.854 31 R HN -0.458 7.860 8.270 0.081 0.000 0.436 32 E N -1.756 118.494 120.200 0.083 0.000 2.028 32 E HA -0.195 nan 4.350 nan 0.000 0.191 32 E C 1.994 178.654 176.600 0.101 0.000 0.988 32 E CA 2.383 58.825 56.400 0.071 0.000 0.799 32 E CB 0.245 29.962 29.700 0.029 0.000 0.755 32 E HN -0.484 7.908 8.360 0.074 0.013 0.447 33 D N 0.305 120.798 120.400 0.155 0.000 3.085 33 D HA 0.169 nan 4.640 nan 0.000 0.243 33 D C -0.119 176.306 176.300 0.209 0.000 1.232 33 D CA -0.660 53.468 54.000 0.213 0.000 0.913 33 D CB -1.934 39.071 40.800 0.341 0.000 1.108 33 D HN -0.249 8.226 8.370 0.176 0.000 0.468 34 D N -1.466 119.003 120.400 0.115 0.000 2.392 34 D HA -0.283 nan 4.640 nan 0.000 0.228 34 D C -0.077 176.123 176.300 -0.167 0.000 1.003 34 D CA 2.052 56.091 54.000 0.065 0.000 0.917 34 D CB -0.341 40.532 40.800 0.122 0.000 0.890 34 D HN -0.239 8.103 8.370 0.112 0.095 0.532 35 E N -2.876 117.136 120.200 -0.312 0.000 2.400 35 E HA -0.224 nan 4.350 nan 0.000 0.195 35 E C 0.268 176.551 176.600 -0.528 0.000 1.012 35 E CA -0.240 55.641 56.400 -0.865 0.000 0.875 35 E CB -0.913 28.475 29.700 -0.520 0.000 0.859 35 E HN -0.036 8.180 8.360 -0.100 0.085 0.498 36 Y N 4.489 124.571 120.300 -0.363 0.000 2.811 36 Y HA -0.357 nan 4.550 nan 0.000 0.334 36 Y C -1.160 174.542 175.900 -0.330 0.000 1.247 36 Y CA 1.934 59.800 58.100 -0.391 0.000 1.526 36 Y CB 0.354 38.346 38.460 -0.781 0.000 1.284 36 Y HN -1.000 7.263 8.280 -0.029 0.000 0.586 37 D N 6.633 126.469 120.400 -0.941 0.000 2.746 37 D HA -0.471 nan 4.640 nan 0.000 0.241 37 D C -0.852 175.284 176.300 -0.274 0.000 1.140 37 D CA 1.093 54.685 54.000 -0.679 0.000 0.707 37 D CB -0.930 39.384 40.800 -0.809 0.000 1.034 37 D HN 0.471 8.279 8.370 -0.936 0.000 0.423 38 N N -2.836 115.767 118.700 -0.161 0.000 2.725 38 N HA -0.418 nan 4.740 nan 0.000 0.251 38 N C -0.939 174.677 175.510 0.175 0.000 1.031 38 N CA 1.290 54.368 53.050 0.048 0.000 0.720 38 N CB -1.012 37.507 38.487 0.054 0.000 0.930 38 N HN 0.464 8.728 8.380 -0.193 0.000 0.543 39 Y N -9.415 110.863 120.300 -0.037 0.000 4.490 39 Y HA -0.472 nan 4.550 nan 0.000 0.233 39 Y C 0.189 176.091 175.900 0.003 0.000 1.101 39 Y CA 1.416 59.516 58.100 -0.000 0.000 2.010 39 Y CB -2.197 36.269 38.460 0.010 0.000 1.622 39 Y HN -0.311 7.638 8.280 -0.392 0.096 0.675 40 I N -2.535 118.044 120.570 0.014 0.000 2.500 40 I HA -0.276 nan 4.170 nan 0.000 0.252 40 I C 0.657 176.795 176.117 0.036 0.000 1.142 40 I CA 1.822 63.136 61.300 0.023 0.000 1.451 40 I CB 0.611 38.604 38.000 -0.011 0.000 1.093 40 I HN -0.665 7.346 8.210 -0.048 0.170 0.430 41 G N -2.429 106.381 108.800 0.017 0.000 2.757 41 G HA2 -0.272 nan 3.960 nan 0.000 0.638 41 G HA3 -0.272 nan 3.960 nan 0.000 0.638 41 G C -0.722 174.237 174.900 0.098 0.000 1.344 41 G CA -0.576 44.569 45.100 0.075 0.000 0.855 41 G HN -0.423 7.836 8.290 -0.053 0.000 0.537 42 Y N -0.321 119.942 120.300 -0.061 0.000 2.490 42 Y HA -0.038 nan 4.550 nan 0.000 0.281 42 Y C 1.359 177.086 175.900 -0.288 0.000 1.174 42 Y CA 1.080 58.996 58.100 -0.306 0.000 1.295 42 Y CB -0.283 37.659 38.460 -0.863 0.000 1.062 42 Y HN 0.487 8.925 8.280 0.263 0.000 0.522 43 G N 0.792 109.569 108.800 -0.038 0.000 2.514 43 G HA2 -0.336 nan 3.960 nan 0.000 0.217 43 G HA3 -0.336 nan 3.960 nan 0.000 0.217 43 G C -1.283 173.612 174.900 -0.009 0.000 1.198 43 G CA 2.507 47.579 45.100 -0.047 0.000 0.780 43 G HN 0.635 8.878 8.290 0.004 0.049 0.565 44 P HA -0.194 nan 4.420 nan 0.000 0.215 44 P C 0.895 178.235 177.300 0.067 0.000 1.157 44 P CA 2.743 65.877 63.100 0.056 0.000 0.868 44 P CB -0.555 31.182 31.700 0.061 0.000 0.788 45 V N -3.355 116.600 119.914 0.069 0.000 2.626 45 V HA -0.265 nan 4.120 nan 0.000 0.252 45 V C 1.502 177.596 176.094 -0.000 0.000 1.067 45 V CA 2.805 65.137 62.300 0.054 0.000 1.081 45 V CB -0.585 31.291 31.823 0.089 0.000 0.686 45 V HN -0.199 8.042 8.190 0.084 0.000 0.468 46 L N -1.289 119.913 121.223 -0.035 0.000 2.109 46 L HA -0.254 nan 4.340 nan 0.000 0.207 46 L C 1.853 178.753 176.870 0.051 0.000 1.086 46 L CA 3.253 58.066 54.840 -0.046 0.000 0.760 46 L CB -0.477 41.503 42.059 -0.131 0.000 0.910 46 L HN -0.441 7.738 8.230 -0.051 0.020 0.437 47 V N -0.642 119.325 119.914 0.088 0.000 2.667 47 V HA -0.368 nan 4.120 nan 0.000 0.252 47 V C 1.179 177.444 176.094 0.285 0.000 1.065 47 V CA 3.475 65.898 62.300 0.204 0.000 1.083 47 V CB -0.714 31.180 31.823 0.119 0.000 0.692 47 V HN 0.075 8.295 8.190 0.050 0.000 0.468 48 R N 0.495 121.120 120.500 0.210 0.000 2.096 48 R HA -0.313 nan 4.340 nan 0.000 0.235 48 R C 1.770 178.112 176.300 0.070 0.000 1.127 48 R CA 3.453 59.702 56.100 0.248 0.000 0.968 48 R CB -0.112 30.253 30.300 0.108 0.000 0.861 48 R HN -0.230 8.126 8.270 0.143 0.000 0.440 49 L N -0.776 120.419 121.223 -0.046 0.000 2.017 49 L HA -0.286 nan 4.340 nan 0.000 0.208 49 L C 1.073 177.890 176.870 -0.088 0.000 1.073 49 L CA 3.114 57.834 54.840 -0.199 0.000 0.745 49 L CB -0.487 41.431 42.059 -0.235 0.000 0.894 49 L HN -0.002 8.216 8.230 -0.020 0.000 0.432 50 A N -0.974 121.902 122.820 0.094 0.000 1.972 50 A HA -0.311 nan 4.320 nan 0.000 0.219 50 A C 1.547 179.258 177.584 0.212 0.000 1.169 50 A CA 2.959 55.097 52.037 0.168 0.000 0.635 50 A CB -0.862 18.306 19.000 0.280 0.000 0.810 50 A HN -0.310 7.918 8.150 0.130 0.000 0.446 51 W N -1.325 120.116 121.300 0.235 0.000 2.409 51 W HA -0.402 nan 4.660 nan 0.000 0.299 51 W C 1.397 178.068 176.519 0.253 0.000 1.203 51 W CA 3.124 60.632 57.345 0.272 0.000 1.298 51 W CB 0.142 29.820 29.460 0.362 0.000 1.127 51 W HN -0.181 8.296 8.180 0.495 0.000 0.528 52 H N -0.398 118.266 119.070 -0.677 0.000 2.389 52 H HA -0.369 nan 4.556 nan 0.000 0.299 52 H C 2.531 177.617 175.328 -0.403 0.000 1.081 52 H CA 3.537 59.158 56.048 -0.712 0.000 1.345 52 H CB 0.932 30.409 29.762 -0.476 0.000 1.393 52 H HN -0.198 8.028 8.280 -0.090 0.000 0.520 53 I N -4.924 115.546 120.570 -0.166 0.000 2.676 53 I HA -0.189 nan 4.170 nan 0.000 0.259 53 I C 1.303 177.416 176.117 -0.006 0.000 1.194 53 I CA 2.743 64.005 61.300 -0.063 0.000 1.473 53 I CB -0.179 37.810 38.000 -0.017 0.000 1.096 53 I HN -0.280 7.825 8.210 -0.174 0.000 0.443 54 S N 1.553 117.234 115.700 -0.032 0.000 2.458 54 S HA -0.065 nan 4.470 nan 0.000 0.223 54 S C 1.798 176.416 174.600 0.030 0.000 1.019 54 S CA 3.677 61.889 58.200 0.019 0.000 0.937 54 S CB -0.243 62.990 63.200 0.055 0.000 0.788 54 S HN -0.751 7.494 8.310 -0.062 0.028 0.511 55 G N 0.288 108.989 108.800 -0.164 0.000 2.848 55 G HA2 -0.043 nan 3.960 nan 0.000 0.208 55 G HA3 -0.043 nan 3.960 nan 0.000 0.208 55 G C -0.398 174.460 174.900 -0.071 0.000 1.152 55 G CA 1.604 46.589 45.100 -0.193 0.000 0.789 55 G HN 0.188 8.276 8.290 -0.337 0.000 0.531 56 T N -2.677 111.857 114.554 -0.034 0.000 3.148 56 T HA -0.050 nan 4.350 nan 0.000 0.253 56 T C 0.051 174.806 174.700 0.092 0.000 1.134 56 T CA -0.818 61.295 62.100 0.022 0.000 1.051 56 T CB -0.801 68.092 68.868 0.042 0.000 0.959 56 T HN -0.440 7.710 8.240 -0.053 0.057 0.525 57 W N 2.344 123.615 121.300 -0.049 0.000 2.181 57 W HA -0.150 nan 4.660 nan 0.000 0.335 57 W C -1.980 174.493 176.519 -0.077 0.000 1.310 57 W CA 0.725 58.047 57.345 -0.038 0.000 1.226 57 W CB 0.646 30.093 29.460 -0.023 0.000 1.155 57 W HN -0.775 7.481 8.180 0.252 0.075 0.565 58 D N 7.636 127.612 120.400 -0.706 0.000 2.481 58 D HA 0.315 nan 4.640 nan 0.000 0.246 58 D C 0.049 175.536 176.300 -1.354 0.000 1.109 58 D CA -1.690 51.822 54.000 -0.813 0.000 0.845 58 D CB 2.408 42.985 40.800 -0.371 0.000 1.160 58 D HN 0.272 8.302 8.370 -0.567 0.000 0.534 59 K N 6.048 125.492 120.400 -1.593 0.000 2.280 59 K HA -0.297 nan 4.320 nan 0.000 0.202 59 K C 1.159 177.317 176.600 -0.736 0.000 1.047 59 K CA 1.998 57.446 56.287 -1.398 0.000 0.942 59 K CB -0.114 31.805 32.500 -0.970 0.000 0.739 59 K HN 0.265 7.688 8.250 -1.378 0.000 0.457 60 H N -0.959 117.879 119.070 -0.387 0.000 2.403 60 H HA -0.107 nan 4.556 nan 0.000 0.298 60 H C 1.000 176.228 175.328 -0.167 0.000 1.059 60 H CA 1.964 57.882 56.048 -0.217 0.000 1.363 60 H CB 0.432 30.090 29.762 -0.174 0.000 1.410 60 H HN -0.129 7.912 8.280 -0.817 -0.252 0.528 61 D N -4.786 115.558 120.400 -0.094 0.000 2.540 61 D HA -0.062 nan 4.640 nan 0.000 0.229 61 D C 0.361 176.627 176.300 -0.057 0.000 1.250 61 D CA -0.846 53.119 54.000 -0.058 0.000 0.817 61 D CB -0.007 40.773 40.800 -0.034 0.000 1.060 61 D HN -0.592 7.672 8.370 -0.176 0.000 0.508 62 N N -1.760 116.880 118.700 -0.099 0.000 2.714 62 N HA -0.457 nan 4.740 nan 0.000 0.250 62 N C -1.048 174.599 175.510 0.229 0.000 1.117 62 N CA 1.123 54.239 53.050 0.111 0.000 0.719 62 N CB -0.825 37.737 38.487 0.126 0.000 1.081 62 N HN -0.092 8.154 8.380 -0.224 0.000 0.557 63 T N -6.526 108.070 114.554 0.070 0.000 2.874 63 T HA 0.315 nan 4.350 nan 0.000 0.281 63 T C -0.325 174.490 174.700 0.191 0.000 0.994 63 T CA -1.320 60.870 62.100 0.150 0.000 1.015 63 T CB 2.080 70.986 68.868 0.064 0.000 1.028 63 T HN -0.836 7.549 8.240 -0.073 -0.188 0.523 64 G N 3.281 112.206 108.800 0.208 0.000 2.645 64 G HA2 -0.475 nan 3.960 nan 0.000 0.239 64 G HA3 -0.475 nan 3.960 nan 0.000 0.239 64 G C -0.694 174.389 174.900 0.306 0.000 1.331 64 G CA -0.298 44.930 45.100 0.214 0.000 0.890 64 G HN 0.370 8.773 8.290 0.188 0.000 0.572 65 G N -1.183 107.776 108.800 0.265 0.000 2.757 65 G HA2 -0.313 nan 3.960 nan 0.000 0.638 65 G HA3 -0.313 nan 3.960 nan 0.000 0.638 65 G C 0.664 175.621 174.900 0.095 0.000 1.344 65 G CA -0.407 44.794 45.100 0.169 0.000 0.855 65 G HN -0.195 8.184 8.290 0.217 0.041 0.537 66 S N 0.779 116.507 115.700 0.047 0.000 2.481 66 S HA -0.303 nan 4.470 nan 0.000 0.231 66 S C 1.484 176.136 174.600 0.086 0.000 0.996 66 S CA 2.709 60.958 58.200 0.082 0.000 0.942 66 S CB 0.146 63.382 63.200 0.060 0.000 0.768 66 S HN 0.523 8.827 8.310 -0.010 0.000 0.520 67 Y N 4.137 124.381 120.300 -0.095 0.000 2.081 67 Y HA -0.390 nan 4.550 nan 0.000 0.280 67 Y C 0.446 176.308 175.900 -0.063 0.000 1.163 67 Y CA 3.109 61.126 58.100 -0.138 0.000 1.135 67 Y CB -0.039 38.213 38.460 -0.346 0.000 0.970 67 Y HN 0.060 8.341 8.280 0.096 0.057 0.498 68 G N -6.770 102.066 108.800 0.060 0.000 2.985 68 G HA2 -0.047 nan 3.960 nan 0.000 0.209 68 G HA3 -0.047 nan 3.960 nan 0.000 0.209 68 G C -0.114 174.842 174.900 0.092 0.000 1.165 68 G CA -0.491 44.653 45.100 0.073 0.000 0.776 68 G HN -0.033 8.333 8.290 0.127 0.000 0.541 69 G N -0.155 108.712 108.800 0.111 0.000 2.258 69 G HA2 -0.493 nan 3.960 nan 0.000 0.274 69 G HA3 -0.493 nan 3.960 nan 0.000 0.274 69 G C 0.522 175.582 174.900 0.266 0.000 1.021 69 G CA 1.188 46.408 45.100 0.199 0.000 0.798 69 G HN -0.520 7.761 8.290 0.094 0.066 0.507 70 T N -3.509 111.218 114.554 0.290 0.000 3.113 70 T HA -0.283 nan 4.350 nan 0.000 0.263 70 T C 1.109 175.986 174.700 0.294 0.000 1.143 70 T CA 1.659 63.969 62.100 0.350 0.000 1.090 70 T CB -0.942 68.177 68.868 0.419 0.000 0.922 70 T HN 0.213 8.593 8.240 0.273 0.024 0.521 71 Y N 4.140 124.542 120.300 0.169 0.000 2.384 71 Y HA -0.372 nan 4.550 nan 0.000 0.289 71 Y C -0.026 175.901 175.900 0.046 0.000 1.152 71 Y CA 1.560 59.709 58.100 0.081 0.000 1.258 71 Y CB -0.613 37.789 38.460 -0.097 0.000 0.979 71 Y HN -0.528 7.971 8.280 0.438 0.044 0.549 72 R N -2.102 118.369 120.500 -0.048 0.000 2.193 72 R HA -0.286 nan 4.340 nan 0.000 0.229 72 R C 0.650 176.634 176.300 -0.527 0.000 1.110 72 R CA 1.579 57.499 56.100 -0.299 0.000 0.988 72 R CB -0.255 29.916 30.300 -0.215 0.000 0.871 72 R HN -0.803 7.547 8.270 0.188 0.033 0.458 73 F N -1.299 118.611 119.950 -0.067 0.000 2.375 73 F HA 0.143 nan 4.527 nan 0.000 0.333 73 F C 0.795 176.532 175.800 -0.105 0.000 1.104 73 F CA -0.979 56.974 58.000 -0.077 0.000 1.149 73 F CB 0.558 39.556 39.000 -0.002 0.000 1.190 73 F HN -0.536 7.444 8.300 -0.264 0.162 0.533 74 K N 3.463 123.926 120.400 0.104 0.000 2.044 74 K HA -0.454 nan 4.320 nan 0.000 0.210 74 K C 1.906 178.562 176.600 0.094 0.000 1.049 74 K CA 4.021 60.336 56.287 0.046 0.000 0.927 74 K CB -0.665 31.855 32.500 0.033 0.000 0.713 74 K HN 0.755 9.107 8.250 0.169 0.000 0.443 75 K N -1.517 118.943 120.400 0.100 0.000 2.044 75 K HA -0.400 nan 4.320 nan 0.000 0.210 75 K C 1.606 178.264 176.600 0.096 0.000 1.049 75 K CA 3.476 59.814 56.287 0.086 0.000 0.927 75 K CB -0.257 32.287 32.500 0.073 0.000 0.713 75 K HN 0.060 8.375 8.250 0.108 0.000 0.443 76 E N -2.522 117.753 120.200 0.126 0.000 2.076 76 E HA -0.213 nan 4.350 nan 0.000 0.190 76 E C 2.694 179.345 176.600 0.085 0.000 0.979 76 E CA 2.252 58.733 56.400 0.135 0.000 0.807 76 E CB 0.024 29.842 29.700 0.197 0.000 0.761 76 E HN -0.650 7.804 8.360 0.157 0.000 0.454 77 F N 0.146 119.942 119.950 -0.256 0.000 2.161 77 F HA -0.334 nan 4.527 nan 0.000 0.300 77 F C 0.468 176.169 175.800 -0.164 0.000 1.089 77 F CA 3.296 61.013 58.000 -0.472 0.000 1.282 77 F CB 0.319 38.951 39.000 -0.614 0.000 1.010 77 F HN -0.050 8.291 8.300 0.070 0.000 0.485 78 N N -3.928 114.803 118.700 0.051 0.000 2.322 78 N HA 0.007 nan 4.740 nan 0.000 0.194 78 N C -1.176 174.346 175.510 0.021 0.000 1.126 78 N CA 0.293 53.360 53.050 0.028 0.000 0.845 78 N CB 0.557 39.089 38.487 0.075 0.000 0.976 78 N HN -0.351 8.097 8.380 0.114 0.000 0.475 79 D N 2.836 123.256 120.400 0.033 0.000 2.520 79 D HA 0.035 nan 4.640 nan 0.000 0.243 79 D C -0.141 176.183 176.300 0.040 0.000 1.160 79 D CA -1.250 52.778 54.000 0.047 0.000 0.877 79 D CB 0.522 41.363 40.800 0.068 0.000 1.150 79 D HN -0.684 7.532 8.370 0.038 0.176 0.494 80 P HA -0.282 nan 4.420 nan 0.000 0.218 80 P C 1.391 178.731 177.300 0.067 0.000 1.154 80 P CA 2.456 65.584 63.100 0.045 0.000 0.872 80 P CB 0.186 31.912 31.700 0.044 0.000 0.790 81 S N -3.487 112.262 115.700 0.083 0.000 2.507 81 S HA -0.262 nan 4.470 nan 0.000 0.235 81 S C 0.515 175.243 174.600 0.213 0.000 0.988 81 S CA 2.756 61.035 58.200 0.132 0.000 0.944 81 S CB -0.450 62.795 63.200 0.076 0.000 0.762 81 S HN -0.385 8.157 8.310 0.068 -0.191 0.526 82 N N -0.438 118.344 118.700 0.137 0.000 2.230 82 N HA 0.081 nan 4.740 nan 0.000 0.202 82 N C -1.536 173.967 175.510 -0.012 0.000 1.119 82 N CA -0.856 52.253 53.050 0.098 0.000 0.851 82 N CB 0.372 38.931 38.487 0.122 0.000 0.990 82 N HN -0.092 8.162 8.380 0.093 0.181 0.497 83 A N -0.713 122.112 122.820 0.007 0.000 2.548 83 A HA -0.176 nan 4.320 nan 0.000 0.247 83 A C 0.368 177.938 177.584 -0.025 0.000 1.067 83 A CA 1.790 53.816 52.037 -0.018 0.000 0.757 83 A CB -0.509 18.501 19.000 0.016 0.000 0.996 83 A HN -0.512 7.605 8.150 0.047 0.062 0.504 84 G N 3.566 112.338 108.800 -0.047 0.000 2.279 84 G HA2 -0.416 nan 3.960 nan 0.000 0.223 84 G HA3 -0.416 nan 3.960 nan 0.000 0.223 84 G C 1.155 176.033 174.900 -0.037 0.000 1.015 84 G CA 0.743 45.818 45.100 -0.042 0.000 0.621 84 G HN 0.491 8.997 8.290 -0.060 -0.252 0.506 85 L N 1.682 122.855 121.223 -0.083 0.000 2.465 85 L HA -0.335 nan 4.340 nan 0.000 0.224 85 L C 0.868 177.745 176.870 0.012 0.000 1.145 85 L CA 1.909 56.694 54.840 -0.091 0.000 0.834 85 L CB -0.595 41.332 42.059 -0.220 0.000 0.944 85 L HN -0.254 7.837 8.230 -0.102 0.077 0.451 86 Q N -1.043 118.739 119.800 -0.030 0.000 2.181 86 Q HA -0.414 nan 4.340 nan 0.000 0.205 86 Q C 2.300 178.459 176.000 0.266 0.000 0.980 86 Q CA 3.450 59.313 55.803 0.101 0.000 0.862 86 Q CB -1.008 27.768 28.738 0.063 0.000 0.905 86 Q HN 0.477 8.636 8.270 -0.106 0.047 0.429 87 N N -0.074 118.733 118.700 0.178 0.000 2.084 87 N HA -0.280 nan 4.740 nan 0.000 0.190 87 N C 2.195 177.818 175.510 0.188 0.000 1.030 87 N CA 2.986 56.152 53.050 0.193 0.000 0.849 87 N CB -0.651 37.935 38.487 0.164 0.000 1.012 87 N HN -0.579 7.851 8.380 0.116 0.020 0.423 88 G N -0.383 108.498 108.800 0.135 0.000 2.408 88 G HA2 -0.259 nan 3.960 nan 0.000 0.217 88 G HA3 -0.259 nan 3.960 nan 0.000 0.217 88 G C 1.096 176.106 174.900 0.184 0.000 1.150 88 G CA 1.677 46.826 45.100 0.082 0.000 0.776 88 G HN -0.317 7.940 8.290 0.105 0.097 0.542 89 F N 2.741 122.775 119.950 0.141 0.000 2.102 89 F HA -0.329 nan 4.527 nan 0.000 0.298 89 F C 1.308 177.233 175.800 0.208 0.000 1.105 89 F CA 2.990 61.141 58.000 0.252 0.000 1.239 89 F CB 0.323 39.597 39.000 0.456 0.000 0.991 89 F HN -0.301 8.227 8.300 0.379 0.000 0.474 90 K N -2.548 118.005 120.400 0.255 0.000 2.147 90 K HA -0.395 nan 4.320 nan 0.000 0.205 90 K C 1.881 178.456 176.600 -0.041 0.000 1.049 90 K CA 2.820 59.156 56.287 0.082 0.000 0.936 90 K CB -0.196 32.406 32.500 0.170 0.000 0.722 90 K HN -0.059 8.434 8.250 0.405 0.000 0.446 91 F N -1.331 118.477 119.950 -0.237 0.000 2.134 91 F HA -0.262 nan 4.527 nan 0.000 0.299 91 F C 0.874 176.495 175.800 -0.297 0.000 1.097 91 F CA 2.787 60.539 58.000 -0.414 0.000 1.264 91 F CB 0.753 39.312 39.000 -0.735 0.000 1.001 91 F HN -0.693 7.671 8.300 0.107 0.000 0.479 92 L N -3.390 117.830 121.223 -0.004 0.000 2.313 92 L HA -0.318 nan 4.340 nan 0.000 0.214 92 L C 1.598 178.353 176.870 -0.191 0.000 1.119 92 L CA 1.793 56.589 54.840 -0.072 0.000 0.809 92 L CB -0.439 41.658 42.059 0.064 0.000 0.933 92 L HN -0.504 7.786 8.230 0.100 0.000 0.449 93 E N 0.596 120.631 120.200 -0.276 0.000 2.070 93 E HA -0.272 nan 4.350 nan 0.000 0.197 93 E C -1.038 175.455 176.600 -0.178 0.000 1.004 93 E CA 5.555 61.788 56.400 -0.279 0.000 0.805 93 E CB -1.674 27.818 29.700 -0.348 0.000 0.744 93 E HN -0.312 7.843 8.360 -0.292 0.029 0.451 94 P HA -0.176 nan 4.420 nan 0.000 0.218 94 P C 1.617 178.829 177.300 -0.146 0.000 1.148 94 P CA 2.740 65.736 63.100 -0.174 0.000 0.822 94 P CB -0.531 31.044 31.700 -0.209 0.000 0.784 95 I N -1.797 118.684 120.570 -0.148 0.000 2.353 95 I HA -0.438 nan 4.170 nan 0.000 0.248 95 I C 1.697 177.840 176.117 0.044 0.000 1.119 95 I CA 3.831 65.103 61.300 -0.047 0.000 1.417 95 I CB -0.248 37.686 38.000 -0.110 0.000 1.078 95 I HN -0.927 7.055 8.210 -0.210 0.102 0.421 96 H N 0.861 119.849 119.070 -0.136 0.000 2.389 96 H HA -0.332 nan 4.556 nan 0.000 0.299 96 H C 1.690 176.926 175.328 -0.152 0.000 1.081 96 H CA 2.718 58.673 56.048 -0.154 0.000 1.345 96 H CB 0.378 30.032 29.762 -0.179 0.000 1.393 96 H HN -0.226 8.045 8.280 -0.015 0.000 0.520 97 K N -2.915 117.441 120.400 -0.073 0.000 2.152 97 K HA -0.215 nan 4.320 nan 0.000 0.206 97 K C 1.108 177.603 176.600 -0.175 0.000 1.048 97 K CA 1.572 57.776 56.287 -0.139 0.000 0.933 97 K CB -0.123 32.298 32.500 -0.131 0.000 0.721 97 K HN -0.423 7.791 8.250 -0.060 0.000 0.447 98 E N -1.521 118.551 120.200 -0.214 0.000 2.152 98 E HA -0.180 nan 4.350 nan 0.000 0.192 98 E C 0.141 176.300 176.600 -0.735 0.000 0.983 98 E CA 2.169 58.300 56.400 -0.448 0.000 0.818 98 E CB 0.914 30.318 29.700 -0.495 0.000 0.758 98 E HN -0.645 7.531 8.360 -0.148 0.095 0.467 99 F N -2.789 117.048 119.950 -0.189 0.000 2.531 99 F HA 0.471 nan 4.527 nan 0.000 0.333 99 F C -2.312 173.204 175.800 -0.474 0.000 1.292 99 F CA -2.937 54.828 58.000 -0.392 0.000 1.184 99 F CB -0.159 38.463 39.000 -0.630 0.000 1.426 99 F HN -0.514 7.747 8.300 -0.064 0.000 0.559 100 P HA -0.125 nan 4.420 nan 0.000 0.226 100 P C -0.331 176.951 177.300 -0.032 0.000 1.153 100 P CA 1.462 64.480 63.100 -0.137 0.000 0.777 100 P CB -0.277 31.370 31.700 -0.088 0.000 0.794 101 W N -5.944 115.395 121.300 0.066 0.000 2.519 101 W HA -0.087 nan 4.660 nan 0.000 0.266 101 W C -0.718 175.872 176.519 0.118 0.000 1.253 101 W CA -1.242 56.143 57.345 0.066 0.000 1.274 101 W CB -0.451 29.032 29.460 0.038 0.000 1.114 101 W HN -0.587 7.547 8.180 0.009 0.052 0.596 102 I N 2.149 122.565 120.570 -0.257 0.000 2.575 102 I HA 0.042 nan 4.170 nan 0.000 0.285 102 I C -0.533 175.634 176.117 0.082 0.000 1.085 102 I CA -0.461 60.758 61.300 -0.135 0.000 1.403 102 I CB 1.576 39.233 38.000 -0.573 0.000 1.409 102 I HN -0.777 7.014 8.210 -0.628 0.042 0.557 103 S N 7.103 122.862 115.700 0.098 0.000 2.593 103 S HA 0.152 nan 4.470 nan 0.000 0.269 103 S C 1.454 175.955 174.600 -0.165 0.000 1.334 103 S CA -0.220 57.991 58.200 0.018 0.000 1.015 103 S CB 0.870 64.063 63.200 -0.013 0.000 0.912 103 S HN 0.038 8.747 8.310 0.184 -0.288 0.541 104 S N 4.202 119.769 115.700 -0.222 0.000 2.359 104 S HA -0.394 nan 4.470 nan 0.000 0.224 104 S C 2.147 176.292 174.600 -0.759 0.000 1.035 104 S CA 3.650 61.461 58.200 -0.648 0.000 1.018 104 S CB -0.405 62.511 63.200 -0.474 0.000 0.876 104 S HN 0.235 8.835 8.310 -0.082 -0.339 0.448 105 G N 0.368 108.996 108.800 -0.286 0.000 2.440 105 G HA2 -0.369 nan 3.960 nan 0.000 0.218 105 G HA3 -0.369 nan 3.960 nan 0.000 0.218 105 G C 0.734 175.633 174.900 -0.002 0.000 1.154 105 G CA 2.102 47.162 45.100 -0.066 0.000 0.767 105 G HN -0.262 7.906 8.290 -0.205 0.000 0.552 106 D N 2.464 122.873 120.400 0.015 0.000 2.117 106 D HA -0.195 nan 4.640 nan 0.000 0.197 106 D C 2.221 178.606 176.300 0.141 0.000 0.987 106 D CA 3.059 57.216 54.000 0.262 0.000 0.829 106 D CB -0.283 40.730 40.800 0.354 0.000 0.961 106 D HN -0.742 7.599 8.370 -0.049 0.000 0.460 107 L N 0.230 121.351 121.223 -0.170 0.000 2.017 107 L HA -0.312 nan 4.340 nan 0.000 0.208 107 L C 1.689 178.509 176.870 -0.084 0.000 1.073 107 L CA 3.412 58.086 54.840 -0.278 0.000 0.745 107 L CB -0.226 41.475 42.059 -0.596 0.000 0.894 107 L HN -0.238 7.824 8.230 -0.281 0.000 0.432 108 F N -2.694 117.244 119.950 -0.020 0.000 2.126 108 F HA -0.389 nan 4.527 nan 0.000 0.299 108 F C 2.358 178.180 175.800 0.036 0.000 1.096 108 F CA 1.945 59.954 58.000 0.016 0.000 1.255 108 F CB -1.273 37.756 39.000 0.048 0.000 0.997 108 F HN 0.357 8.378 8.300 -0.466 0.000 0.479 109 S N -0.343 115.520 115.700 0.270 0.000 2.387 109 S HA -0.299 nan 4.470 nan 0.000 0.226 109 S C 2.212 176.914 174.600 0.171 0.000 1.026 109 S CA 3.012 61.364 58.200 0.253 0.000 0.972 109 S CB 0.425 63.829 63.200 0.341 0.000 0.814 109 S HN -0.192 8.274 8.310 0.260 0.000 0.477 110 L N 2.561 123.787 121.223 0.005 0.000 2.141 110 L HA -0.179 nan 4.340 nan 0.000 0.209 110 L C 1.596 178.332 176.870 -0.224 0.000 1.094 110 L CA 2.018 56.610 54.840 -0.414 0.000 0.763 110 L CB -0.564 41.061 42.059 -0.724 0.000 0.908 110 L HN 0.129 8.422 8.230 0.105 0.000 0.437 111 G N -1.655 107.087 108.800 -0.096 0.000 2.476 111 G HA2 -0.482 nan 3.960 nan 0.000 0.218 111 G HA3 -0.482 nan 3.960 nan 0.000 0.218 111 G C 0.923 175.811 174.900 -0.020 0.000 1.164 111 G CA 2.707 47.773 45.100 -0.058 0.000 0.768 111 G HN 0.436 8.698 8.290 -0.047 0.000 0.560 112 G N 0.796 109.656 108.800 0.101 0.000 2.421 112 G HA2 -0.326 nan 3.960 nan 0.000 0.216 112 G HA3 -0.326 nan 3.960 nan 0.000 0.216 112 G C 1.128 176.177 174.900 0.248 0.000 1.171 112 G CA 1.832 47.078 45.100 0.243 0.000 0.775 112 G HN -0.673 7.688 8.290 0.118 0.000 0.543 113 V N 2.720 122.780 119.914 0.242 0.000 2.287 113 V HA -0.491 nan 4.120 nan 0.000 0.248 113 V C 2.312 178.452 176.094 0.076 0.000 1.053 113 V CA 4.404 66.837 62.300 0.221 0.000 1.027 113 V CB -0.724 31.213 31.823 0.190 0.000 0.646 113 V HN -0.362 7.943 8.190 0.192 0.000 0.447 114 T N 0.711 115.196 114.554 -0.115 0.000 2.708 114 T HA -0.341 nan 4.350 nan 0.000 0.266 114 T C 1.396 175.948 174.700 -0.246 0.000 1.037 114 T CA 4.950 66.801 62.100 -0.415 0.000 1.146 114 T CB -0.665 67.759 68.868 -0.740 0.000 0.865 114 T HN 0.087 8.238 8.240 -0.149 0.000 0.435 115 A N 0.968 123.692 122.820 -0.160 0.000 1.883 115 A HA -0.286 nan 4.320 nan 0.000 0.217 115 A C 1.727 179.246 177.584 -0.108 0.000 1.186 115 A CA 3.326 55.295 52.037 -0.114 0.000 0.624 115 A CB -0.887 18.064 19.000 -0.081 0.000 0.822 115 A HN -0.153 7.912 8.150 -0.141 0.000 0.444 116 V N -1.092 118.735 119.914 -0.145 0.000 2.295 116 V HA -0.549 nan 4.120 nan 0.000 0.246 116 V C 2.460 178.390 176.094 -0.272 0.000 1.049 116 V CA 4.594 66.698 62.300 -0.326 0.000 1.024 116 V CB -1.008 30.517 31.823 -0.498 0.000 0.648 116 V HN -0.162 7.973 8.190 -0.092 0.000 0.447 117 Q N -1.950 117.780 119.800 -0.116 0.000 2.123 117 Q HA -0.299 nan 4.340 nan 0.000 0.199 117 Q C 3.169 179.180 176.000 0.018 0.000 0.966 117 Q CA 3.137 58.925 55.803 -0.024 0.000 0.845 117 Q CB -0.175 28.658 28.738 0.159 0.000 0.907 117 Q HN -0.211 8.023 8.270 -0.060 0.000 0.439 118 E N -0.291 119.914 120.200 0.008 0.000 2.347 118 E HA -0.178 nan 4.350 nan 0.000 0.196 118 E C 1.235 177.846 176.600 0.018 0.000 1.008 118 E CA 1.673 58.086 56.400 0.021 0.000 0.852 118 E CB -0.285 29.399 29.700 -0.025 0.000 0.783 118 E HN -0.037 8.303 8.360 -0.033 0.000 0.505 119 M N -1.544 118.054 119.600 -0.004 0.000 2.652 119 M HA 0.075 nan 4.480 nan 0.000 0.226 119 M C -1.325 175.016 176.300 0.068 0.000 1.244 119 M CA 0.251 55.573 55.300 0.037 0.000 0.986 119 M CB -0.337 32.292 32.600 0.050 0.000 1.666 119 M HN -0.259 7.893 8.290 -0.043 0.112 0.460 120 Q N -5.435 114.394 119.800 0.049 0.000 2.494 120 Q HA -0.430 nan 4.340 nan 0.000 0.266 120 Q C -0.172 175.857 176.000 0.049 0.000 1.053 120 Q CA 0.938 56.789 55.803 0.080 0.000 1.029 120 Q CB -3.170 25.650 28.738 0.137 0.000 1.423 120 Q HN -0.207 7.961 8.270 0.034 0.123 0.516 121 G N 1.898 110.595 108.800 -0.172 0.000 2.553 121 G HA2 0.120 nan 3.960 nan 0.000 0.278 121 G HA3 0.120 nan 3.960 nan 0.000 0.278 121 G C -2.130 172.383 174.900 -0.645 0.000 1.349 121 G CA -0.801 43.911 45.100 -0.647 0.000 1.037 121 G HN -0.250 7.906 8.290 -0.169 0.033 0.508 122 P HA 0.066 nan 4.420 nan 0.000 0.274 122 P C -1.366 175.808 177.300 -0.211 0.000 1.246 122 P CA -0.729 62.124 63.100 -0.411 0.000 0.795 122 P CB 1.127 32.594 31.700 -0.389 0.000 1.006 123 K N -0.540 119.820 120.400 -0.068 0.000 2.412 123 K HA -0.037 nan 4.320 nan 0.000 0.281 123 K C -0.442 176.161 176.600 0.006 0.000 1.027 123 K CA -0.509 55.772 56.287 -0.009 0.000 0.989 123 K CB 0.011 32.517 32.500 0.011 0.000 0.935 123 K HN -0.010 8.222 8.250 -0.030 0.000 0.475 124 I N 6.021 126.630 120.570 0.065 0.000 2.307 124 I HA 0.235 nan 4.170 nan 0.000 0.289 124 I C -1.538 174.648 176.117 0.115 0.000 1.021 124 I CA -4.591 56.775 61.300 0.110 0.000 1.224 124 I CB -0.966 37.170 38.000 0.227 0.000 1.376 124 I HN -0.171 8.361 8.210 0.098 -0.262 0.470 125 P HA -0.050 nan 4.420 nan 0.000 0.264 125 P C -2.171 175.176 177.300 0.078 0.000 1.193 125 P CA 0.081 63.185 63.100 0.005 0.000 0.763 125 P CB 0.193 31.847 31.700 -0.077 0.000 0.810 126 W N 6.575 127.797 121.300 -0.131 0.000 2.785 126 W HA 0.269 nan 4.660 nan 0.000 0.333 126 W C -2.667 173.711 176.519 -0.235 0.000 1.062 126 W CA -1.445 55.844 57.345 -0.093 0.000 1.233 126 W CB 3.963 33.505 29.460 0.136 0.000 1.413 126 W HN 0.732 8.988 8.180 0.126 0.000 0.489 127 R N 3.922 123.786 120.500 -1.061 0.000 2.460 127 R HA 0.512 nan 4.340 nan 0.000 0.303 127 R C -1.302 174.070 176.300 -1.547 0.000 0.968 127 R CA -1.509 53.888 56.100 -1.172 0.000 0.889 127 R CB 3.018 32.656 30.300 -1.102 0.000 1.123 127 R HN 0.289 7.905 8.270 -1.089 0.000 0.455 128 C N -1.969 116.637 119.300 -1.157 0.000 2.347 128 C HA 0.515 nan 4.460 nan 0.000 0.366 128 C C 0.558 175.419 174.990 -0.215 0.000 1.241 128 C CA -2.150 56.396 59.018 -0.786 0.000 2.360 128 C CB 0.890 28.281 27.740 -0.581 0.000 2.290 128 C HN 0.537 8.192 8.230 -0.958 0.000 0.587 129 G N -0.430 108.351 108.800 -0.032 0.000 2.318 129 G HA2 -0.207 nan 3.960 nan 0.000 0.172 129 G HA3 -0.207 nan 3.960 nan 0.000 0.172 129 G C -1.187 173.693 174.900 -0.034 0.000 1.002 129 G CA -0.195 44.929 45.100 0.040 0.000 0.697 129 G HN 0.294 9.010 8.290 0.024 -0.412 0.483 130 R N 0.723 121.148 120.500 -0.124 0.000 2.643 130 R HA 0.068 nan 4.340 nan 0.000 0.270 130 R C -0.957 175.060 176.300 -0.472 0.000 1.061 130 R CA 0.874 56.716 56.100 -0.430 0.000 1.107 130 R CB 0.861 30.989 30.300 -0.286 0.000 0.999 130 R HN -0.461 8.013 8.270 -0.079 -0.252 0.460 131 V N 3.827 123.210 119.914 -0.885 0.000 2.540 131 V HA 0.101 nan 4.120 nan 0.000 0.302 131 V C -1.151 174.755 176.094 -0.313 0.000 1.035 131 V CA -1.429 60.632 62.300 -0.397 0.000 0.873 131 V CB 2.585 34.306 31.823 -0.170 0.000 0.992 131 V HN -0.057 6.972 8.190 -1.936 0.000 0.428 132 D N 4.970 125.307 120.400 -0.106 0.000 2.450 132 D HA -0.032 nan 4.640 nan 0.000 0.247 132 D C -0.200 176.151 176.300 0.084 0.000 1.162 132 D CA 1.141 55.135 54.000 -0.010 0.000 0.879 132 D CB 0.371 41.185 40.800 0.025 0.000 1.163 132 D HN 0.024 8.354 8.370 -0.065 0.000 0.472 133 T N 0.653 115.306 114.554 0.164 0.000 2.940 133 T HA 0.521 nan 4.350 nan 0.000 0.288 133 T C -1.865 173.003 174.700 0.280 0.000 1.033 133 T CA -3.351 58.877 62.100 0.214 0.000 1.033 133 T CB 0.472 69.484 68.868 0.239 0.000 1.079 133 T HN -0.109 8.154 8.240 0.181 0.086 0.496 134 P HA 0.081 nan 4.420 nan 0.000 0.269 134 P C 0.843 178.022 177.300 -0.202 0.000 1.217 134 P CA -0.790 62.357 63.100 0.078 0.000 0.783 134 P CB 0.653 32.366 31.700 0.023 0.000 0.898 135 E N 1.056 120.810 120.200 -0.744 0.000 2.267 135 E HA -0.364 nan 4.350 nan 0.000 0.197 135 E C 1.344 177.598 176.600 -0.576 0.000 0.998 135 E CA 3.300 58.831 56.400 -1.449 0.000 0.830 135 E CB -0.108 28.860 29.700 -1.221 0.000 0.751 135 E HN 0.517 8.582 8.360 -0.492 0.000 0.491 136 D N -3.739 116.491 120.400 -0.282 0.000 2.340 136 D HA -0.084 nan 4.640 nan 0.000 0.220 136 D C 0.764 177.032 176.300 -0.053 0.000 1.039 136 D CA 0.775 54.694 54.000 -0.135 0.000 0.866 136 D CB -0.872 39.876 40.800 -0.087 0.000 0.913 136 D HN 0.088 8.269 8.370 -0.252 0.038 0.523 137 T N -4.684 109.857 114.554 -0.022 0.000 3.107 137 T HA 0.155 nan 4.350 nan 0.000 0.249 137 T C 0.240 174.995 174.700 0.093 0.000 1.096 137 T CA -0.042 62.097 62.100 0.066 0.000 1.012 137 T CB 0.075 69.022 68.868 0.131 0.000 0.977 137 T HN -0.291 7.865 8.240 -0.062 0.047 0.527 138 T N 7.524 122.115 114.554 0.062 0.000 2.831 138 T HA 0.113 nan 4.350 nan 0.000 0.291 138 T C -1.608 173.151 174.700 0.098 0.000 0.981 138 T CA -0.093 62.084 62.100 0.129 0.000 1.174 138 T CB -0.513 68.420 68.868 0.109 0.000 0.929 138 T HN -0.699 7.354 8.240 -0.035 0.166 0.532 139 P HA 0.049 nan 4.420 nan 0.000 0.269 139 P C -1.696 175.645 177.300 0.068 0.000 1.209 139 P CA -0.747 62.402 63.100 0.082 0.000 0.776 139 P CB 0.628 32.379 31.700 0.086 0.000 0.876 140 D N 1.167 121.596 120.400 0.050 0.000 2.368 140 D HA -0.121 nan 4.640 nan 0.000 0.240 140 D C 0.364 176.694 176.300 0.050 0.000 1.169 140 D CA 0.522 54.549 54.000 0.045 0.000 0.906 140 D CB 0.455 41.275 40.800 0.034 0.000 1.187 140 D HN 0.130 8.526 8.370 0.043 0.000 0.435 141 N N -0.859 117.871 118.700 0.050 0.000 2.381 141 N HA -0.193 nan 4.740 nan 0.000 0.241 141 N C 1.237 176.777 175.510 0.050 0.000 1.279 141 N CA 0.966 54.046 53.050 0.051 0.000 0.896 141 N CB 0.102 38.618 38.487 0.049 0.000 1.118 141 N HN 0.225 8.633 8.380 0.048 0.000 0.438 142 G N 0.103 108.935 108.800 0.055 0.000 2.179 142 G HA2 -0.228 nan 3.960 nan 0.000 0.220 142 G HA3 -0.228 nan 3.960 nan 0.000 0.220 142 G C -0.039 174.916 174.900 0.092 0.000 0.990 142 G CA 0.181 45.323 45.100 0.070 0.000 0.646 142 G HN 0.430 8.750 8.290 0.050 0.000 0.517 143 R N -1.314 119.234 120.500 0.080 0.000 2.300 143 R HA 0.003 nan 4.340 nan 0.000 0.199 143 R C -0.217 176.211 176.300 0.215 0.000 0.920 143 R CA 0.123 56.291 56.100 0.113 0.000 1.046 143 R CB 0.617 30.947 30.300 0.050 0.000 0.984 143 R HN 0.044 8.348 8.270 0.057 0.000 0.493 144 L N -0.658 120.628 121.223 0.104 0.000 2.379 144 L HA 0.256 nan 4.340 nan 0.000 0.269 144 L C -1.896 174.945 176.870 -0.049 0.000 1.084 144 L CA -2.853 51.997 54.840 0.018 0.000 0.802 144 L CB 0.314 42.238 42.059 -0.226 0.000 1.175 144 L HN -0.473 7.739 8.230 0.060 0.054 0.448 145 P HA 0.081 nan 4.420 nan 0.000 0.279 145 P C -1.606 175.648 177.300 -0.076 0.000 1.239 145 P CA -0.715 62.082 63.100 -0.505 0.000 0.789 145 P CB 0.514 31.583 31.700 -1.051 0.000 0.933 146 D N 4.588 124.996 120.400 0.014 0.000 2.339 146 D HA 0.046 nan 4.640 nan 0.000 0.245 146 D C -0.045 176.202 176.300 -0.089 0.000 1.115 146 D CA -0.013 53.948 54.000 -0.066 0.000 0.917 146 D CB 0.693 41.386 40.800 -0.178 0.000 1.192 146 D HN -0.001 8.475 8.370 0.177 0.000 0.428 147 A N -0.707 122.095 122.820 -0.029 0.000 2.147 147 A HA 0.050 nan 4.320 nan 0.000 0.211 147 A C -0.277 177.273 177.584 -0.056 0.000 1.160 147 A CA 1.404 53.402 52.037 -0.065 0.000 0.781 147 A CB 0.514 19.390 19.000 -0.206 0.000 0.842 147 A HN 0.124 8.293 8.150 0.032 0.000 0.475 148 D N -4.249 116.145 120.400 -0.009 0.000 2.676 148 D HA -0.005 nan 4.640 nan 0.000 0.239 148 D C -0.985 175.292 176.300 -0.039 0.000 1.213 148 D CA -0.446 53.575 54.000 0.034 0.000 0.835 148 D CB -1.807 39.041 40.800 0.079 0.000 1.009 148 D HN 0.248 8.607 8.370 -0.018 0.000 0.479 149 K N -1.362 118.989 120.400 -0.081 0.000 2.263 149 K HA 0.270 nan 4.320 nan 0.000 0.249 149 K C -1.951 174.687 176.600 0.063 0.000 1.076 149 K CA -1.847 54.378 56.287 -0.103 0.000 0.884 149 K CB 2.549 34.758 32.500 -0.484 0.000 1.394 149 K HN -0.740 7.412 8.250 -0.047 0.070 0.476 150 D N -4.206 116.276 120.400 0.137 0.000 2.588 150 D HA 0.101 nan 4.640 nan 0.000 0.268 150 D C 0.501 176.955 176.300 0.257 0.000 1.176 150 D CA -1.098 53.014 54.000 0.188 0.000 1.080 150 D CB 1.798 42.695 40.800 0.163 0.000 1.186 150 D HN -0.190 8.260 8.370 0.133 0.000 0.619 151 A N -2.137 120.826 122.820 0.238 0.000 2.067 151 A HA -0.121 nan 4.320 nan 0.000 0.219 151 A C 1.776 179.528 177.584 0.279 0.000 1.158 151 A CA 2.837 55.063 52.037 0.316 0.000 0.661 151 A CB -0.225 18.930 19.000 0.258 0.000 0.801 151 A HN 0.496 8.760 8.150 0.191 0.000 0.452 152 G N -2.549 106.377 108.800 0.209 0.000 2.408 152 G HA2 -0.225 nan 3.960 nan 0.000 0.215 152 G HA3 -0.225 nan 3.960 nan 0.000 0.215 152 G C 0.472 175.509 174.900 0.228 0.000 1.156 152 G CA 1.321 46.523 45.100 0.170 0.000 0.793 152 G HN -0.573 7.984 8.290 0.190 -0.153 0.535 153 Y N 3.129 123.528 120.300 0.165 0.000 2.145 153 Y HA -0.436 nan 4.550 nan 0.000 0.286 153 Y C 1.571 177.632 175.900 0.267 0.000 1.145 153 Y CA 3.960 62.172 58.100 0.187 0.000 1.148 153 Y CB 0.185 38.736 38.460 0.151 0.000 0.981 153 Y HN -0.704 8.020 8.280 0.379 -0.217 0.507 154 V N -0.503 119.676 119.914 0.441 0.000 2.282 154 V HA -0.577 nan 4.120 nan 0.000 0.249 154 V C 1.986 178.375 176.094 0.492 0.000 1.057 154 V CA 4.643 67.223 62.300 0.466 0.000 1.032 154 V CB -1.134 30.968 31.823 0.464 0.000 0.645 154 V HN -0.240 8.262 8.190 0.520 0.000 0.447 155 R N -1.925 118.818 120.500 0.405 0.000 2.066 155 R HA -0.373 nan 4.340 nan 0.000 0.232 155 R C 2.127 178.559 176.300 0.220 0.000 1.131 155 R CA 3.768 60.067 56.100 0.331 0.000 0.955 155 R CB -0.126 30.280 30.300 0.176 0.000 0.851 155 R HN -0.217 8.280 8.270 0.378 0.000 0.432 156 T N 1.691 116.324 114.554 0.131 0.000 2.777 156 T HA -0.244 nan 4.350 nan 0.000 0.266 156 T C 1.882 176.578 174.700 -0.006 0.000 1.040 156 T CA 4.920 67.049 62.100 0.048 0.000 1.141 156 T CB -0.509 68.370 68.868 0.019 0.000 0.868 156 T HN -0.367 7.954 8.240 0.135 0.000 0.444 157 F N 2.794 122.626 119.950 -0.197 0.000 2.069 157 F HA -0.425 nan 4.527 nan 0.000 0.298 157 F C 1.427 177.137 175.800 -0.149 0.000 1.113 157 F CA 3.537 61.369 58.000 -0.280 0.000 1.214 157 F CB 0.324 39.035 39.000 -0.481 0.000 0.978 157 F HN 0.135 8.432 8.300 -0.005 0.000 0.474 158 F N -1.855 118.164 119.950 0.115 0.000 2.546 158 F HA -0.300 nan 4.527 nan 0.000 0.298 158 F C 1.598 177.394 175.800 -0.008 0.000 1.120 158 F CA 3.320 61.366 58.000 0.077 0.000 1.456 158 F CB -0.317 38.801 39.000 0.196 0.000 1.088 158 F HN 0.115 8.725 8.300 0.517 0.000 0.572 159 Q N 0.423 120.286 119.800 0.106 0.000 2.224 159 Q HA -0.345 nan 4.340 nan 0.000 0.203 159 Q C 1.841 177.796 176.000 -0.076 0.000 0.970 159 Q CA 2.964 58.792 55.803 0.041 0.000 0.865 159 Q CB -0.564 28.197 28.738 0.039 0.000 0.922 159 Q HN -0.309 7.999 8.270 0.123 0.035 0.445 160 R N -1.302 119.071 120.500 -0.212 0.000 2.193 160 R HA -0.197 nan 4.340 nan 0.000 0.229 160 R C 0.918 177.028 176.300 -0.317 0.000 1.110 160 R CA 2.881 58.780 56.100 -0.335 0.000 0.988 160 R CB 0.028 30.062 30.300 -0.444 0.000 0.871 160 R HN -0.460 7.536 8.270 -0.269 0.112 0.458 161 L N -2.778 118.394 121.223 -0.085 0.000 2.857 161 L HA 0.136 nan 4.340 nan 0.000 0.249 161 L C -0.868 176.209 176.870 0.346 0.000 1.172 161 L CA -1.363 53.632 54.840 0.259 0.000 0.980 161 L CB -0.411 41.823 42.059 0.292 0.000 1.299 161 L HN -0.805 7.201 8.230 -0.094 0.168 0.535 162 N N -0.702 118.109 118.700 0.185 0.000 2.837 162 N HA -0.441 nan 4.740 nan 0.000 0.293 162 N C -1.044 174.569 175.510 0.172 0.000 1.035 162 N CA 1.119 54.265 53.050 0.160 0.000 0.831 162 N CB -1.337 37.227 38.487 0.128 0.000 0.957 162 N HN -0.407 7.914 8.380 0.053 0.090 0.594 163 M N -0.058 119.665 119.600 0.206 0.000 2.180 163 M HA 0.204 nan 4.480 nan 0.000 0.350 163 M C -0.512 175.877 176.300 0.149 0.000 1.125 163 M CA -1.889 53.524 55.300 0.188 0.000 1.031 163 M CB 0.239 33.009 32.600 0.284 0.000 1.623 163 M HN -0.020 8.408 8.290 0.231 0.000 0.451 164 N N 4.219 122.982 118.700 0.105 0.000 2.514 164 N HA 0.134 nan 4.740 nan 0.000 0.299 164 N C -0.045 175.534 175.510 0.115 0.000 1.292 164 N CA -1.085 52.027 53.050 0.103 0.000 0.963 164 N CB 0.650 39.184 38.487 0.078 0.000 1.124 164 N HN 0.410 9.149 8.380 0.089 -0.306 0.580 165 D N -0.043 120.441 120.400 0.140 0.000 2.097 165 D HA -0.265 nan 4.640 nan 0.000 0.195 165 D C 2.464 178.864 176.300 0.167 0.000 0.989 165 D CA 4.231 58.374 54.000 0.239 0.000 0.827 165 D CB -0.277 40.647 40.800 0.207 0.000 0.966 165 D HN 0.318 8.754 8.370 0.109 0.000 0.456 166 R N -0.120 120.448 120.500 0.114 0.000 2.083 166 R HA -0.380 nan 4.340 nan 0.000 0.237 166 R C 2.042 178.422 176.300 0.134 0.000 1.137 166 R CA 3.279 59.450 56.100 0.118 0.000 0.951 166 R CB -0.172 30.190 30.300 0.105 0.000 0.851 166 R HN -0.007 8.375 8.270 0.100 -0.052 0.434 167 E N -0.627 119.619 120.200 0.077 0.000 2.085 167 E HA -0.389 nan 4.350 nan 0.000 0.194 167 E C 2.672 179.223 176.600 -0.083 0.000 0.994 167 E CA 3.135 59.551 56.400 0.026 0.000 0.801 167 E CB -0.224 29.488 29.700 0.022 0.000 0.743 167 E HN -0.429 8.274 8.360 0.074 -0.299 0.453 168 V N 0.459 120.260 119.914 -0.188 0.000 2.295 168 V HA -0.338 nan 4.120 nan 0.000 0.246 168 V C 2.087 177.980 176.094 -0.335 0.000 1.049 168 V CA 4.523 66.519 62.300 -0.506 0.000 1.024 168 V CB -0.855 30.672 31.823 -0.493 0.000 0.648 168 V HN -0.071 8.066 8.190 -0.088 0.000 0.447 169 V N -1.052 118.784 119.914 -0.130 0.000 2.358 169 V HA -0.435 nan 4.120 nan 0.000 0.246 169 V C 1.770 178.058 176.094 0.325 0.000 1.047 169 V CA 4.208 66.538 62.300 0.051 0.000 1.035 169 V CB -1.299 30.594 31.823 0.116 0.000 0.658 169 V HN -0.123 8.020 8.190 -0.078 0.000 0.452 170 A N -0.687 122.377 122.820 0.407 0.000 1.865 170 A HA -0.280 nan 4.320 nan 0.000 0.217 170 A C 2.279 180.148 177.584 0.475 0.000 1.191 170 A CA 3.141 55.465 52.037 0.477 0.000 0.623 170 A CB -0.664 18.521 19.000 0.307 0.000 0.826 170 A HN 0.000 8.354 8.150 0.340 0.000 0.444 171 L N -1.487 119.831 121.223 0.157 0.000 2.043 171 L HA -0.313 nan 4.340 nan 0.000 0.212 171 L C 2.538 179.379 176.870 -0.047 0.000 1.075 171 L CA 2.704 57.578 54.840 0.058 0.000 0.752 171 L CB -0.607 41.349 42.059 -0.171 0.000 0.891 171 L HN 0.118 8.375 8.230 0.044 0.000 0.432 172 M N -1.339 118.116 119.600 -0.242 0.000 2.460 172 M HA -0.171 nan 4.480 nan 0.000 0.263 172 M C 2.212 177.973 176.300 -0.898 0.000 1.071 172 M CA 1.269 56.222 55.300 -0.578 0.000 1.096 172 M CB -0.726 31.608 32.600 -0.443 0.000 1.408 172 M HN -0.143 8.025 8.290 -0.177 0.016 0.463 173 G N -1.853 106.670 108.800 -0.461 0.000 2.498 173 G HA2 -0.265 nan 3.960 nan 0.000 0.219 173 G HA3 -0.265 nan 3.960 nan 0.000 0.219 173 G C 0.264 174.791 174.900 -0.621 0.000 1.119 173 G CA 1.531 46.196 45.100 -0.726 0.000 0.766 173 G HN -0.045 8.117 8.290 0.023 0.142 0.552 174 A N 1.698 124.290 122.820 -0.379 0.000 2.178 174 A HA -0.221 nan 4.320 nan 0.000 0.218 174 A C 1.335 178.762 177.584 -0.262 0.000 1.157 174 A CA 1.981 53.848 52.037 -0.285 0.000 0.689 174 A CB -0.606 18.368 19.000 -0.043 0.000 0.787 174 A HN -0.469 7.544 8.150 -0.174 0.033 0.465 175 H N -2.022 116.685 119.070 -0.605 0.000 2.556 175 H HA -0.145 nan 4.556 nan 0.000 0.268 175 H C -0.055 175.094 175.328 -0.298 0.000 0.996 175 H CA -0.146 55.625 56.048 -0.463 0.000 1.157 175 H CB -0.333 29.090 29.762 -0.565 0.000 1.355 175 H HN -0.198 7.430 8.280 -0.800 0.172 0.597 176 A N -2.117 120.559 122.820 -0.241 0.000 2.121 176 A HA -0.139 nan 4.320 nan 0.000 0.218 176 A C 0.012 177.512 177.584 -0.140 0.000 1.154 176 A CA 1.074 53.020 52.037 -0.152 0.000 0.679 176 A CB 0.483 19.340 19.000 -0.238 0.000 0.795 176 A HN -0.589 7.251 8.150 -0.442 0.045 0.458 177 L N -2.870 118.277 121.223 -0.127 0.000 2.357 177 L HA -0.074 nan 4.340 nan 0.000 0.273 177 L C 1.080 177.928 176.870 -0.037 0.000 1.080 177 L CA -0.177 54.623 54.840 -0.066 0.000 0.803 177 L CB 0.536 42.578 42.059 -0.028 0.000 1.174 177 L HN -0.658 7.319 8.230 -0.153 0.161 0.443 178 G N 2.842 111.630 108.800 -0.020 0.000 2.574 178 G HA2 -0.413 nan 3.960 nan 0.000 0.286 178 G HA3 -0.413 nan 3.960 nan 0.000 0.286 178 G C -2.411 172.447 174.900 -0.070 0.000 1.212 178 G CA 0.881 45.974 45.100 -0.012 0.000 0.979 178 G HN 0.731 8.905 8.290 -0.017 0.106 0.557 179 K N -2.009 118.314 120.400 -0.128 0.000 2.607 179 K HA 0.448 nan 4.320 nan 0.000 0.287 179 K C -1.794 174.568 176.600 -0.397 0.000 0.996 179 K CA -1.603 54.535 56.287 -0.249 0.000 0.876 179 K CB 2.819 35.147 32.500 -0.287 0.000 1.496 179 K HN -0.316 7.892 8.250 -0.070 0.000 0.415 180 T N -2.312 112.059 114.554 -0.306 0.000 2.909 180 T HA 0.372 nan 4.350 nan 0.000 0.289 180 T C -0.175 174.311 174.700 -0.355 0.000 1.005 180 T CA -1.143 60.820 62.100 -0.228 0.000 1.084 180 T CB 0.901 69.745 68.868 -0.039 0.000 0.975 180 T HN 0.457 8.572 8.240 -0.209 0.000 0.509 181 H N 2.429 121.525 119.070 0.044 0.000 2.609 181 H HA 0.432 nan 4.556 nan 0.000 0.344 181 H C -0.003 175.344 175.328 0.032 0.000 1.040 181 H CA -0.914 55.148 56.048 0.023 0.000 1.216 181 H CB 1.881 31.644 29.762 0.001 0.000 1.529 181 H HN 0.314 8.649 8.280 0.092 0.000 0.519 182 L N 5.935 127.220 121.223 0.103 0.000 2.043 182 L HA -0.408 nan 4.340 nan 0.000 0.212 182 L C 0.819 177.714 176.870 0.041 0.000 1.075 182 L CA 3.969 58.838 54.840 0.047 0.000 0.752 182 L CB 0.238 42.307 42.059 0.017 0.000 0.891 182 L HN 0.162 8.747 8.230 0.087 -0.302 0.432 183 K N -2.747 117.686 120.400 0.054 0.000 2.288 183 K HA -0.272 nan 4.320 nan 0.000 0.201 183 K C 0.928 177.554 176.600 0.042 0.000 1.048 183 K CA 2.435 58.742 56.287 0.033 0.000 0.956 183 K CB -0.445 32.069 32.500 0.023 0.000 0.746 183 K HN 0.203 8.494 8.250 0.068 0.000 0.461 184 N N -2.188 116.558 118.700 0.077 0.000 2.182 184 N HA -0.070 nan 4.740 nan 0.000 0.186 184 N C 1.091 176.657 175.510 0.094 0.000 1.036 184 N CA 2.296 55.393 53.050 0.077 0.000 0.850 184 N CB 0.573 39.124 38.487 0.106 0.000 1.010 184 N HN -0.452 7.872 8.380 0.118 0.127 0.432 185 S N -4.085 111.692 115.700 0.128 0.000 2.603 185 S HA 0.151 nan 4.470 nan 0.000 0.232 185 S C 0.448 175.094 174.600 0.076 0.000 1.016 185 S CA -0.419 57.877 58.200 0.160 0.000 0.976 185 S CB 2.030 65.393 63.200 0.272 0.000 0.921 185 S HN -0.345 8.056 8.310 0.151 0.000 0.516 186 G N 0.866 109.643 108.800 -0.039 0.000 2.143 186 G HA2 -0.373 nan 3.960 nan 0.000 0.248 186 G HA3 -0.373 nan 3.960 nan 0.000 0.248 186 G C -1.401 173.188 174.900 -0.519 0.000 0.991 186 G CA 0.819 45.768 45.100 -0.251 0.000 0.689 186 G HN -0.087 8.117 8.290 0.009 0.091 0.522 187 Y N -2.677 117.630 120.300 0.010 0.000 2.570 187 Y HA 0.262 nan 4.550 nan 0.000 0.345 187 Y C -1.765 174.126 175.900 -0.014 0.000 1.014 187 Y CA -1.973 56.125 58.100 -0.003 0.000 1.063 187 Y CB 2.950 41.406 38.460 -0.007 0.000 1.272 187 Y HN -0.893 7.400 8.280 0.097 0.046 0.477 188 E N 0.643 120.927 120.200 0.141 0.000 2.290 188 E HA 0.235 nan 4.350 nan 0.000 0.274 188 E C -1.347 175.278 176.600 0.042 0.000 0.889 188 E CA -1.316 55.116 56.400 0.052 0.000 0.760 188 E CB 3.611 33.331 29.700 0.032 0.000 1.206 188 E HN 0.071 8.822 8.360 0.181 -0.282 0.419 189 G N 3.929 112.723 108.800 -0.011 0.000 2.362 189 G HA2 -0.148 nan 3.960 nan 0.000 0.656 189 G HA3 -0.148 nan 3.960 nan 0.000 0.656 189 G C -3.310 171.582 174.900 -0.013 0.000 1.376 189 G CA -0.606 44.504 45.100 0.017 0.000 0.971 189 G HN -0.165 8.081 8.290 -0.073 0.000 0.636 190 P HA 0.513 nan 4.420 nan 0.000 0.280 190 P C -0.312 177.013 177.300 0.040 0.000 1.272 190 P CA -1.185 61.917 63.100 0.004 0.000 0.819 190 P CB 1.534 33.245 31.700 0.018 0.000 1.122 191 G N -2.814 105.958 108.800 -0.046 0.000 2.986 191 G HA2 -0.039 nan 3.960 nan 0.000 0.213 191 G HA3 -0.039 nan 3.960 nan 0.000 0.213 191 G C -1.393 173.317 174.900 -0.318 0.000 1.156 191 G CA -0.594 44.480 45.100 -0.043 0.000 0.763 191 G HN 0.512 8.756 8.290 -0.077 0.000 0.547 192 G N -2.312 106.120 108.800 -0.613 0.000 2.428 192 G HA2 0.022 nan 3.960 nan 0.000 0.304 192 G HA3 0.022 nan 3.960 nan 0.000 0.304 192 G C -1.825 172.702 174.900 -0.623 0.000 1.303 192 G CA 0.356 44.788 45.100 -1.114 0.000 0.825 192 G HN -0.873 7.148 8.290 -0.365 0.050 0.484 193 A N -0.875 121.740 122.820 -0.341 0.000 1.911 193 A HA 0.105 nan 4.320 nan 0.000 0.212 193 A C 0.748 178.308 177.584 -0.039 0.000 1.189 193 A CA 1.448 53.459 52.037 -0.043 0.000 0.639 193 A CB 1.207 20.247 19.000 0.067 0.000 0.839 193 A HN 0.164 8.438 8.150 -0.371 -0.347 0.449 194 A N -0.571 122.214 122.820 -0.058 0.000 3.056 194 A HA 0.181 nan 4.320 nan 0.000 0.274 194 A C -0.940 176.620 177.584 -0.041 0.000 1.661 194 A CA -1.021 51.000 52.037 -0.026 0.000 1.363 194 A CB -1.825 17.166 19.000 -0.014 0.000 1.139 194 A HN -0.347 8.026 8.150 -0.087 -0.275 0.598 195 N N -0.849 117.829 118.700 -0.036 0.000 2.370 195 N HA -0.154 nan 4.740 nan 0.000 0.198 195 N C -0.798 174.707 175.510 -0.008 0.000 1.156 195 N CA 1.112 54.139 53.050 -0.039 0.000 0.839 195 N CB -0.037 38.424 38.487 -0.045 0.000 0.989 195 N HN -0.236 8.072 8.380 -0.025 0.057 0.468 196 N N -3.154 115.555 118.700 0.015 0.000 2.387 196 N HA 0.094 nan 4.740 nan 0.000 0.259 196 N C -1.731 173.811 175.510 0.054 0.000 1.369 196 N CA -0.851 52.221 53.050 0.036 0.000 0.867 196 N CB -0.584 37.930 38.487 0.046 0.000 1.341 196 N HN -0.108 8.231 8.380 0.017 0.051 0.495 197 V N -0.192 119.753 119.914 0.052 0.000 2.709 197 V HA 0.342 nan 4.120 nan 0.000 0.308 197 V C -1.991 174.163 176.094 0.100 0.000 1.062 197 V CA -0.565 61.786 62.300 0.086 0.000 0.901 197 V CB 2.545 34.414 31.823 0.076 0.000 1.003 197 V HN -0.817 7.388 8.190 0.025 0.000 0.425 198 F N 8.471 128.424 119.950 0.004 0.000 2.413 198 F HA 0.202 nan 4.527 nan 0.000 0.359 198 F C -0.995 174.920 175.800 0.192 0.000 1.122 198 F CA 0.182 58.174 58.000 -0.014 0.000 1.160 198 F CB 0.602 39.479 39.000 -0.205 0.000 1.146 198 F HN 0.569 9.025 8.300 0.260 0.000 0.514 199 T N 2.646 117.186 114.554 -0.023 0.000 2.716 199 T HA 0.259 nan 4.350 nan 0.000 0.286 199 T C -1.182 173.589 174.700 0.119 0.000 1.052 199 T CA -2.236 59.968 62.100 0.174 0.000 1.024 199 T CB 2.765 71.679 68.868 0.076 0.000 1.349 199 T HN -0.275 7.806 8.240 -0.265 0.000 0.525 200 N N -2.265 116.515 118.700 0.135 0.000 2.375 200 N HA -0.018 nan 4.740 nan 0.000 0.220 200 N C 0.687 176.199 175.510 0.003 0.000 1.170 200 N CA -0.156 52.911 53.050 0.028 0.000 0.833 200 N CB -1.640 36.905 38.487 0.096 0.000 1.069 200 N HN 0.276 8.726 8.380 0.117 0.000 0.479 201 E N 1.150 121.311 120.200 -0.064 0.000 2.110 201 E HA -0.370 nan 4.350 nan 0.000 0.193 201 E C 0.913 177.454 176.600 -0.098 0.000 0.988 201 E CA 3.033 59.391 56.400 -0.069 0.000 0.804 201 E CB -0.226 29.417 29.700 -0.095 0.000 0.745 201 E HN -0.716 7.481 8.360 -0.075 0.118 0.458 202 F N -0.356 119.353 119.950 -0.402 0.000 2.120 202 F HA -0.408 nan 4.527 nan 0.000 0.300 202 F C 1.538 177.070 175.800 -0.448 0.000 1.095 202 F CA 3.423 61.124 58.000 -0.498 0.000 1.249 202 F CB -0.110 38.430 39.000 -0.767 0.000 0.995 202 F HN -0.057 8.134 8.300 -0.182 0.000 0.480 203 Y N -2.917 117.303 120.300 -0.133 0.000 2.184 203 Y HA -0.391 nan 4.550 nan 0.000 0.290 203 Y C 2.141 177.953 175.900 -0.147 0.000 1.129 203 Y CA 3.834 61.819 58.100 -0.193 0.000 1.144 203 Y CB -0.566 37.836 38.460 -0.097 0.000 0.995 203 Y HN -0.772 7.259 8.280 -0.377 0.023 0.513 204 L N -1.157 120.107 121.223 0.068 0.000 2.012 204 L HA -0.584 nan 4.340 nan 0.000 0.210 204 L C 2.150 179.046 176.870 0.042 0.000 1.073 204 L CA 3.282 58.147 54.840 0.042 0.000 0.748 204 L CB -0.648 41.433 42.059 0.036 0.000 0.891 204 L HN -0.648 7.641 8.230 0.099 0.000 0.431 205 N N -1.037 117.686 118.700 0.038 0.000 2.120 205 N HA -0.281 nan 4.740 nan 0.000 0.188 205 N C 2.570 178.295 175.510 0.358 0.000 1.024 205 N CA 2.962 56.120 53.050 0.180 0.000 0.852 205 N CB -0.535 38.075 38.487 0.205 0.000 1.003 205 N HN -0.157 8.214 8.380 -0.015 0.000 0.424 206 L N 0.062 121.321 121.223 0.060 0.000 2.093 206 L HA -0.205 nan 4.340 nan 0.000 0.208 206 L C 1.979 178.915 176.870 0.109 0.000 1.085 206 L CA 3.044 57.864 54.840 -0.032 0.000 0.755 206 L CB -0.040 41.706 42.059 -0.521 0.000 0.904 206 L HN -0.356 7.776 8.230 -0.164 0.000 0.435 207 L N -2.662 118.589 121.223 0.047 0.000 2.270 207 L HA -0.269 nan 4.340 nan 0.000 0.210 207 L C 1.333 178.245 176.870 0.070 0.000 1.104 207 L CA 2.389 57.254 54.840 0.041 0.000 0.804 207 L CB 0.050 42.115 42.059 0.010 0.000 0.937 207 L HN -0.025 8.211 8.230 0.010 0.000 0.450 208 N N -4.420 114.328 118.700 0.080 0.000 2.227 208 N HA 0.051 nan 4.740 nan 0.000 0.196 208 N C -0.351 175.135 175.510 -0.041 0.000 1.142 208 N CA 0.091 53.156 53.050 0.025 0.000 0.887 208 N CB 1.500 39.997 38.487 0.017 0.000 1.022 208 N HN -0.018 8.332 8.380 0.107 0.094 0.500 209 E N 0.085 120.227 120.200 -0.098 0.000 2.318 209 E HA 0.037 nan 4.350 nan 0.000 0.265 209 E C -0.833 175.455 176.600 -0.521 0.000 1.069 209 E CA -0.389 55.737 56.400 -0.457 0.000 0.893 209 E CB 0.986 30.092 29.700 -0.991 0.000 1.076 209 E HN -0.629 7.779 8.360 0.079 0.000 0.414 210 D N 3.115 123.236 120.400 -0.466 0.000 2.494 210 D HA 0.074 nan 4.640 nan 0.000 0.217 210 D C -1.081 175.055 176.300 -0.275 0.000 1.153 210 D CA -1.472 52.380 54.000 -0.246 0.000 0.954 210 D CB -0.663 40.044 40.800 -0.156 0.000 1.034 210 D HN 0.215 8.320 8.370 -0.442 0.000 0.518 211 W N 1.699 123.079 121.300 0.134 0.000 2.238 211 W HA 0.040 nan 4.660 nan 0.000 0.321 211 W C -0.660 176.017 176.519 0.263 0.000 1.293 211 W CA -0.744 56.725 57.345 0.207 0.000 1.204 211 W CB 0.978 30.586 29.460 0.246 0.000 1.167 211 W HN -0.550 7.674 8.180 0.073 0.000 0.553 212 K N 2.879 123.530 120.400 0.418 0.000 2.397 212 K HA 0.334 nan 4.320 nan 0.000 0.253 212 K C -1.685 174.878 176.600 -0.061 0.000 0.932 212 K CA -1.739 54.660 56.287 0.188 0.000 0.795 212 K CB 3.494 36.032 32.500 0.064 0.000 1.159 212 K HN 0.835 9.216 8.250 0.410 0.115 0.424 213 L N 5.970 126.887 121.223 -0.509 0.000 2.360 213 L HA 0.243 nan 4.340 nan 0.000 0.276 213 L C -0.866 175.744 176.870 -0.433 0.000 1.121 213 L CA 0.526 54.807 54.840 -0.931 0.000 0.845 213 L CB 0.470 41.741 42.059 -1.313 0.000 1.143 213 L HN 0.411 8.410 8.230 -0.384 0.000 0.452 214 E N 6.383 126.383 120.200 -0.333 0.000 2.393 214 E HA 0.365 nan 4.350 nan 0.000 0.273 214 E C -2.045 174.464 176.600 -0.152 0.000 0.918 214 E CA -1.962 54.328 56.400 -0.184 0.000 0.773 214 E CB 3.854 33.492 29.700 -0.102 0.000 1.275 214 E HN 0.815 8.947 8.360 -0.381 0.000 0.451 215 K N 0.866 121.200 120.400 -0.110 0.000 2.144 215 K HA 0.303 nan 4.320 nan 0.000 0.270 215 K C -0.582 175.980 176.600 -0.065 0.000 1.005 215 K CA -0.053 56.182 56.287 -0.087 0.000 0.932 215 K CB 0.908 33.362 32.500 -0.077 0.000 1.021 215 K HN 0.149 8.338 8.250 -0.102 0.000 0.462 216 N N 4.169 122.832 118.700 -0.062 0.000 2.538 216 N HA 0.193 nan 4.740 nan 0.000 0.292 216 N C 0.697 176.171 175.510 -0.060 0.000 1.262 216 N CA -1.145 51.874 53.050 -0.050 0.000 0.976 216 N CB 0.674 39.137 38.487 -0.040 0.000 1.161 216 N HN 0.336 8.671 8.380 -0.074 0.000 0.598 217 D N -1.554 118.816 120.400 -0.050 0.000 2.309 217 D HA -0.210 nan 4.640 nan 0.000 0.212 217 D C 0.167 176.430 176.300 -0.063 0.000 0.968 217 D CA 2.956 56.927 54.000 -0.048 0.000 0.882 217 D CB -0.632 40.147 40.800 -0.034 0.000 0.918 217 D HN 0.544 8.891 8.370 -0.039 0.000 0.503 218 A N -2.116 120.648 122.820 -0.093 0.000 2.238 218 A HA -0.045 nan 4.320 nan 0.000 0.208 218 A C -0.263 177.252 177.584 -0.116 0.000 1.177 218 A CA 0.116 52.086 52.037 -0.113 0.000 0.804 218 A CB 0.403 19.300 19.000 -0.173 0.000 0.823 218 A HN -0.382 7.896 8.150 -0.106 -0.191 0.482 219 N N -5.551 113.087 118.700 -0.102 0.000 2.829 219 N HA -0.462 nan 4.740 nan 0.000 0.250 219 N C -1.513 173.933 175.510 -0.108 0.000 1.090 219 N CA 1.227 54.223 53.050 -0.090 0.000 0.781 219 N CB -1.409 37.036 38.487 -0.070 0.000 1.124 219 N HN 0.117 8.269 8.380 -0.092 0.173 0.559 220 N N -0.277 118.327 118.700 -0.160 0.000 2.456 220 N HA 0.211 nan 4.740 nan 0.000 0.296 220 N C -1.457 174.008 175.510 -0.074 0.000 1.102 220 N CA -0.338 52.612 53.050 -0.166 0.000 0.924 220 N CB 2.099 40.308 38.487 -0.462 0.000 1.186 220 N HN -0.563 7.921 8.380 -0.182 -0.212 0.492 221 E N 0.987 121.185 120.200 -0.004 0.000 2.331 221 E HA 0.204 nan 4.350 nan 0.000 0.272 221 E C -0.813 175.833 176.600 0.077 0.000 1.036 221 E CA 0.221 56.603 56.400 -0.030 0.000 0.864 221 E CB 1.095 30.735 29.700 -0.101 0.000 1.035 221 E HN 0.347 8.718 8.360 0.019 0.000 0.408 222 Q N -1.504 118.279 119.800 -0.027 0.000 2.511 222 Q HA 0.507 nan 4.340 nan 0.000 0.289 222 Q C -1.635 174.265 176.000 -0.166 0.000 1.021 222 Q CA -2.148 53.667 55.803 0.020 0.000 0.785 222 Q CB 3.032 31.878 28.738 0.180 0.000 1.472 222 Q HN 0.559 8.763 8.270 -0.109 0.000 0.411 223 W N -0.173 121.098 121.300 -0.048 0.000 2.332 223 W HA 0.142 nan 4.660 nan 0.000 0.306 223 W C -0.885 175.760 176.519 0.211 0.000 1.149 223 W CA 0.032 57.357 57.345 -0.032 0.000 1.271 223 W CB 0.695 29.980 29.460 -0.291 0.000 1.243 223 W HN 0.348 8.692 8.180 0.273 0.000 0.459 224 D N 4.608 125.250 120.400 0.404 0.000 2.248 224 D HA 0.753 nan 4.640 nan 0.000 0.246 224 D C -0.960 175.507 176.300 0.278 0.000 1.027 224 D CA -0.912 53.302 54.000 0.357 0.000 0.853 224 D CB 3.433 44.319 40.800 0.144 0.000 1.243 224 D HN 0.786 9.206 8.370 0.247 0.099 0.462 225 S N 1.424 117.156 115.700 0.054 0.000 2.664 225 S HA 0.602 nan 4.470 nan 0.000 0.304 225 S C 1.203 175.648 174.600 -0.260 0.000 1.099 225 S CA -1.902 56.112 58.200 -0.309 0.000 1.003 225 S CB 2.667 65.347 63.200 -0.866 0.000 1.092 225 S HN 0.417 8.818 8.310 0.150 0.000 0.525 226 K N 4.019 124.258 120.400 -0.269 0.000 2.089 226 K HA -0.333 nan 4.320 nan 0.000 0.210 226 K C 1.304 177.739 176.600 -0.274 0.000 1.048 226 K CA 3.016 59.172 56.287 -0.219 0.000 0.926 226 K CB -0.451 31.934 32.500 -0.193 0.000 0.714 226 K HN 0.668 8.753 8.250 -0.275 0.000 0.448 227 S N -3.186 112.255 115.700 -0.431 0.000 2.500 227 S HA -0.117 nan 4.470 nan 0.000 0.239 227 S C 0.495 174.717 174.600 -0.630 0.000 0.989 227 S CA 0.896 58.730 58.200 -0.610 0.000 0.951 227 S CB 0.172 62.724 63.200 -1.080 0.000 0.759 227 S HN -0.256 7.766 8.310 -0.459 0.012 0.523 228 G N -1.917 106.637 108.800 -0.410 0.000 2.159 228 G HA2 -0.358 nan 3.960 nan 0.000 0.227 228 G HA3 -0.358 nan 3.960 nan 0.000 0.227 228 G C -0.768 174.137 174.900 0.008 0.000 0.986 228 G CA -0.034 44.957 45.100 -0.182 0.000 0.651 228 G HN -0.273 7.649 8.290 -0.329 0.170 0.523 229 Y N -1.024 119.305 120.300 0.048 0.000 2.432 229 Y HA 0.311 nan 4.550 nan 0.000 0.322 229 Y C -1.193 174.901 175.900 0.324 0.000 1.246 229 Y CA -3.063 55.135 58.100 0.163 0.000 1.268 229 Y CB 1.109 39.702 38.460 0.221 0.000 1.276 229 Y HN -0.930 7.065 8.280 -0.399 0.046 0.499 230 M N -2.533 117.367 119.600 0.501 0.000 2.572 230 M HA 0.847 nan 4.480 nan 0.000 0.299 230 M C -1.374 175.022 176.300 0.160 0.000 1.205 230 M CA -1.054 54.474 55.300 0.380 0.000 0.876 230 M CB 4.017 36.739 32.600 0.204 0.000 1.728 230 M HN 0.530 9.067 8.290 0.412 0.000 0.458 231 M N -0.073 119.522 119.600 -0.008 0.000 2.393 231 M HA 0.408 nan 4.480 nan 0.000 0.299 231 M C -1.382 174.906 176.300 -0.019 0.000 1.103 231 M CA -1.618 53.575 55.300 -0.177 0.000 0.910 231 M CB 4.136 36.388 32.600 -0.580 0.000 1.659 231 M HN 0.873 9.242 8.290 0.132 0.000 0.445 232 L N 2.788 123.967 121.223 -0.073 0.000 2.467 232 L HA 0.059 nan 4.340 nan 0.000 0.270 232 L C -0.864 176.047 176.870 0.069 0.000 1.205 232 L CA -0.797 53.971 54.840 -0.120 0.000 0.828 232 L CB -1.090 40.828 42.059 -0.235 0.000 1.101 232 L HN 0.067 8.511 8.230 -0.090 -0.267 0.479 233 P HA -0.318 nan 4.420 nan 0.000 0.216 233 P C 1.203 178.594 177.300 0.152 0.000 1.157 233 P CA 3.228 66.469 63.100 0.235 0.000 0.880 233 P CB -0.013 31.797 31.700 0.183 0.000 0.791 234 T N -6.441 108.164 114.554 0.085 0.000 2.833 234 T HA -0.319 nan 4.350 nan 0.000 0.269 234 T C 1.744 176.501 174.700 0.094 0.000 1.054 234 T CA 3.859 66.024 62.100 0.109 0.000 1.135 234 T CB -0.842 68.093 68.868 0.112 0.000 0.869 234 T HN -0.162 8.099 8.240 0.035 0.000 0.466 235 D N 2.162 122.612 120.400 0.083 0.000 2.084 235 D HA -0.209 nan 4.640 nan 0.000 0.196 235 D C 2.044 178.291 176.300 -0.088 0.000 0.985 235 D CA 3.028 57.083 54.000 0.090 0.000 0.826 235 D CB -0.470 40.403 40.800 0.120 0.000 0.978 235 D HN -0.694 7.585 8.370 0.061 0.128 0.456 236 Y N 1.747 121.869 120.300 -0.297 0.000 2.256 236 Y HA -0.429 nan 4.550 nan 0.000 0.288 236 Y C 1.866 177.577 175.900 -0.316 0.000 1.155 236 Y CA 3.240 61.028 58.100 -0.521 0.000 1.203 236 Y CB 0.097 38.017 38.460 -0.899 0.000 0.980 236 Y HN 0.057 8.343 8.280 0.010 0.000 0.530 237 S N 0.412 116.072 115.700 -0.068 0.000 2.413 237 S HA -0.439 nan 4.470 nan 0.000 0.237 237 S C 1.338 175.933 174.600 -0.008 0.000 1.044 237 S CA 4.376 62.582 58.200 0.009 0.000 1.024 237 S CB -0.639 62.645 63.200 0.140 0.000 0.829 237 S HN 0.212 8.539 8.310 0.042 0.008 0.475 238 L N -2.920 118.251 121.223 -0.087 0.000 2.362 238 L HA -0.223 nan 4.340 nan 0.000 0.219 238 L C 0.468 177.283 176.870 -0.091 0.000 1.134 238 L CA 2.047 56.860 54.840 -0.046 0.000 0.807 238 L CB -0.178 41.813 42.059 -0.113 0.000 0.927 238 L HN -0.623 7.385 8.230 -0.131 0.143 0.447 239 I N -9.537 110.852 120.570 -0.301 0.000 3.956 239 I HA 0.067 nan 4.170 nan 0.000 0.333 239 I C 0.793 176.754 176.117 -0.259 0.000 1.302 239 I CA 0.288 61.405 61.300 -0.305 0.000 1.122 239 I CB 0.383 38.108 38.000 -0.459 0.000 1.013 239 I HN -0.159 7.642 8.210 -0.461 0.133 0.405 240 Q N -0.051 119.618 119.800 -0.219 0.000 2.354 240 Q HA -0.078 nan 4.340 nan 0.000 0.203 240 Q C 0.140 176.121 176.000 -0.032 0.000 0.933 240 Q CA 1.018 56.757 55.803 -0.105 0.000 0.901 240 Q CB 0.905 29.614 28.738 -0.049 0.000 1.007 240 Q HN -0.490 7.513 8.270 -0.238 0.125 0.495 241 D N 0.040 120.441 120.400 0.003 0.000 2.198 241 D HA 0.378 nan 4.640 nan 0.000 0.245 241 D C -1.204 175.073 176.300 -0.039 0.000 1.079 241 D CA -3.077 50.908 54.000 -0.026 0.000 0.854 241 D CB 2.619 43.374 40.800 -0.075 0.000 1.148 241 D HN -0.676 7.713 8.370 0.032 0.000 0.456 242 P HA -0.118 nan 4.420 nan 0.000 0.217 242 P C 1.317 178.587 177.300 -0.050 0.000 1.150 242 P CA 1.938 65.009 63.100 -0.049 0.000 0.832 242 P CB 0.562 32.234 31.700 -0.046 0.000 0.787 243 K N -1.089 119.258 120.400 -0.087 0.000 2.025 243 K HA -0.222 nan 4.320 nan 0.000 0.207 243 K C 2.847 179.456 176.600 0.016 0.000 1.049 243 K CA 3.063 59.305 56.287 -0.074 0.000 0.933 243 K CB -0.286 32.130 32.500 -0.141 0.000 0.714 243 K HN -0.637 7.641 8.250 -0.126 -0.103 0.438 244 Y N -1.450 118.826 120.300 -0.040 0.000 2.224 244 Y HA -0.273 nan 4.550 nan 0.000 0.289 244 Y C 2.239 178.096 175.900 -0.072 0.000 1.146 244 Y CA 0.844 58.918 58.100 -0.044 0.000 1.182 244 Y CB -0.555 37.890 38.460 -0.024 0.000 0.983 244 Y HN -0.556 7.950 8.280 -0.101 -0.287 0.524 245 L N -0.818 120.447 121.223 0.070 0.000 2.083 245 L HA -0.384 nan 4.340 nan 0.000 0.209 245 L C 1.460 178.301 176.870 -0.048 0.000 1.083 245 L CA 2.991 57.822 54.840 -0.016 0.000 0.752 245 L CB -0.502 41.532 42.059 -0.043 0.000 0.899 245 L HN 0.065 8.336 8.230 0.068 0.000 0.433 246 S N -0.251 115.419 115.700 -0.050 0.000 2.399 246 S HA -0.319 nan 4.470 nan 0.000 0.231 246 S C 2.218 176.731 174.600 -0.144 0.000 1.022 246 S CA 3.540 61.691 58.200 -0.081 0.000 0.983 246 S CB -0.707 62.452 63.200 -0.069 0.000 0.803 246 S HN -0.448 7.843 8.310 -0.031 0.000 0.480 247 I N 1.524 121.996 120.570 -0.163 0.000 2.333 247 I HA -0.357 nan 4.170 nan 0.000 0.246 247 I C 1.271 177.103 176.117 -0.475 0.000 1.106 247 I CA 3.510 64.594 61.300 -0.358 0.000 1.411 247 I CB -0.169 37.677 38.000 -0.257 0.000 1.082 247 I HN -0.741 7.398 8.210 -0.083 0.021 0.420 248 V N 1.003 120.787 119.914 -0.218 0.000 2.278 248 V HA -0.607 nan 4.120 nan 0.000 0.251 248 V C 1.974 177.967 176.094 -0.169 0.000 1.062 248 V CA 5.139 67.370 62.300 -0.115 0.000 1.038 248 V CB -1.249 30.585 31.823 0.019 0.000 0.646 248 V HN 0.143 8.266 8.190 -0.112 0.000 0.447 249 K N -2.389 117.923 120.400 -0.146 0.000 2.147 249 K HA -0.379 nan 4.320 nan 0.000 0.205 249 K C 2.287 178.807 176.600 -0.132 0.000 1.049 249 K CA 3.611 59.833 56.287 -0.110 0.000 0.936 249 K CB -0.427 32.022 32.500 -0.085 0.000 0.722 249 K HN -0.142 8.028 8.250 -0.133 0.000 0.446 250 E N 0.143 120.209 120.200 -0.223 0.000 2.047 250 E HA -0.294 nan 4.350 nan 0.000 0.191 250 E C 2.669 179.202 176.600 -0.112 0.000 0.987 250 E CA 3.096 59.370 56.400 -0.210 0.000 0.799 250 E CB 0.029 29.518 29.700 -0.351 0.000 0.752 250 E HN -0.645 7.465 8.360 -0.272 0.087 0.449 251 Y N -2.590 117.547 120.300 -0.271 0.000 2.314 251 Y HA -0.205 nan 4.550 nan 0.000 0.293 251 Y C 1.728 177.454 175.900 -0.290 0.000 1.129 251 Y CA 0.647 58.513 58.100 -0.391 0.000 1.201 251 Y CB -0.538 37.294 38.460 -1.046 0.000 0.999 251 Y HN -0.251 7.704 8.280 -0.540 0.000 0.541 252 A N -1.664 121.114 122.820 -0.069 0.000 1.933 252 A HA -0.173 nan 4.320 nan 0.000 0.218 252 A C 1.055 178.646 177.584 0.012 0.000 1.175 252 A CA 2.134 54.184 52.037 0.023 0.000 0.628 252 A CB -0.121 18.898 19.000 0.032 0.000 0.814 252 A HN -0.106 7.960 8.150 -0.140 0.000 0.444 253 N N -4.009 114.689 118.700 -0.003 0.000 2.422 253 N HA -0.081 nan 4.740 nan 0.000 0.181 253 N C -0.570 174.949 175.510 0.014 0.000 1.080 253 N CA 1.110 54.160 53.050 0.001 0.000 0.893 253 N CB 1.035 39.516 38.487 -0.010 0.000 0.973 253 N HN -0.525 7.840 8.380 -0.025 0.000 0.456 254 D N -0.615 119.809 120.400 0.039 0.000 2.337 254 D HA 0.226 nan 4.640 nan 0.000 0.238 254 D C -0.950 175.395 176.300 0.075 0.000 1.331 254 D CA -0.392 53.637 54.000 0.048 0.000 0.967 254 D CB 0.967 41.804 40.800 0.062 0.000 1.382 254 D HN -0.633 7.600 8.370 0.050 0.167 0.549 255 Q N 4.698 124.500 119.800 0.003 0.000 2.124 255 Q HA -0.382 nan 4.340 nan 0.000 0.202 255 Q C 1.122 177.010 176.000 -0.187 0.000 0.977 255 Q CA 3.594 59.362 55.803 -0.057 0.000 0.850 255 Q CB 0.188 28.802 28.738 -0.205 0.000 0.901 255 Q HN 0.507 8.765 8.270 -0.019 0.000 0.429 256 D N -1.352 118.953 120.400 -0.159 0.000 2.117 256 D HA -0.270 nan 4.640 nan 0.000 0.197 256 D C 2.028 178.349 176.300 0.035 0.000 0.987 256 D CA 3.359 57.299 54.000 -0.101 0.000 0.829 256 D CB -0.517 40.253 40.800 -0.050 0.000 0.961 256 D HN -0.207 8.156 8.370 -0.119 -0.064 0.460 257 K N 0.197 120.648 120.400 0.084 0.000 2.057 257 K HA -0.226 nan 4.320 nan 0.000 0.207 257 K C 1.950 178.642 176.600 0.153 0.000 1.049 257 K CA 2.168 58.548 56.287 0.155 0.000 0.931 257 K CB -0.338 32.291 32.500 0.215 0.000 0.714 257 K HN -0.771 7.777 8.250 0.071 -0.255 0.440 258 F N 1.329 121.233 119.950 -0.077 0.000 2.095 258 F HA -0.365 nan 4.527 nan 0.000 0.298 258 F C 1.700 177.550 175.800 0.084 0.000 1.104 258 F CA 2.546 60.300 58.000 -0.411 0.000 1.232 258 F CB -0.225 38.574 39.000 -0.335 0.000 0.987 258 F HN -0.360 8.077 8.300 0.227 0.000 0.475 259 F N -1.312 118.403 119.950 -0.391 0.000 2.126 259 F HA -0.444 nan 4.527 nan 0.000 0.299 259 F C 2.348 178.048 175.800 -0.165 0.000 1.096 259 F CA 1.898 59.697 58.000 -0.334 0.000 1.255 259 F CB -0.924 38.002 39.000 -0.122 0.000 0.997 259 F HN 0.376 8.776 8.300 0.167 0.000 0.479 260 K N -0.080 120.385 120.400 0.109 0.000 2.025 260 K HA -0.401 nan 4.320 nan 0.000 0.207 260 K C 1.957 178.582 176.600 0.041 0.000 1.049 260 K CA 3.779 60.108 56.287 0.069 0.000 0.933 260 K CB -0.174 32.375 32.500 0.081 0.000 0.714 260 K HN -0.251 8.082 8.250 0.139 0.000 0.438 261 D N -0.457 119.969 120.400 0.043 0.000 2.149 261 D HA -0.182 nan 4.640 nan 0.000 0.201 261 D C 2.264 178.578 176.300 0.023 0.000 0.972 261 D CA 3.109 57.146 54.000 0.061 0.000 0.835 261 D CB -0.383 40.513 40.800 0.160 0.000 0.966 261 D HN -0.382 8.015 8.370 0.045 0.000 0.476 262 F N 1.324 121.164 119.950 -0.184 0.000 2.134 262 F HA -0.370 nan 4.527 nan 0.000 0.299 262 F C 1.397 177.144 175.800 -0.088 0.000 1.097 262 F CA 3.359 61.254 58.000 -0.176 0.000 1.264 262 F CB 0.543 39.283 39.000 -0.432 0.000 1.001 262 F HN 0.296 8.552 8.300 -0.074 0.000 0.479 263 S N -0.539 115.159 115.700 -0.003 0.000 2.353 263 S HA -0.435 nan 4.470 nan 0.000 0.222 263 S C 2.360 176.931 174.600 -0.048 0.000 1.035 263 S CA 4.062 62.252 58.200 -0.018 0.000 1.025 263 S CB -0.354 62.845 63.200 -0.002 0.000 0.902 263 S HN -0.040 8.291 8.310 0.035 0.000 0.440 264 K N 0.333 120.709 120.400 -0.041 0.000 2.032 264 K HA -0.317 nan 4.320 nan 0.000 0.209 264 K C 2.199 178.761 176.600 -0.062 0.000 1.048 264 K CA 3.188 59.451 56.287 -0.041 0.000 0.927 264 K CB -0.060 32.431 32.500 -0.015 0.000 0.712 264 K HN -0.508 7.729 8.250 -0.021 0.000 0.441 265 A N -0.942 121.826 122.820 -0.086 0.000 1.930 265 A HA -0.145 nan 4.320 nan 0.000 0.217 265 A C 2.058 179.579 177.584 -0.104 0.000 1.175 265 A CA 2.866 54.851 52.037 -0.086 0.000 0.627 265 A CB -0.695 18.253 19.000 -0.088 0.000 0.815 265 A HN -0.015 8.083 8.150 -0.087 0.000 0.443 266 F N -0.221 119.478 119.950 -0.419 0.000 2.163 266 F HA -0.323 nan 4.527 nan 0.000 0.297 266 F C 1.319 177.030 175.800 -0.149 0.000 1.094 266 F CA 2.648 60.418 58.000 -0.384 0.000 1.290 266 F CB 0.468 39.026 39.000 -0.737 0.000 1.017 266 F HN 0.276 8.413 8.300 -0.272 0.000 0.483 267 E N 0.017 120.136 120.200 -0.134 0.000 2.058 267 E HA -0.549 nan 4.350 nan 0.000 0.194 267 E C 1.857 178.358 176.600 -0.165 0.000 0.997 267 E CA 3.494 59.802 56.400 -0.154 0.000 0.801 267 E CB -0.208 29.434 29.700 -0.097 0.000 0.746 267 E HN -0.330 8.001 8.360 -0.047 0.000 0.450 268 K N -0.885 119.442 120.400 -0.122 0.000 2.044 268 K HA -0.359 nan 4.320 nan 0.000 0.210 268 K C 2.395 178.926 176.600 -0.116 0.000 1.049 268 K CA 3.112 59.337 56.287 -0.103 0.000 0.927 268 K CB -0.079 32.388 32.500 -0.055 0.000 0.713 268 K HN -0.567 7.622 8.250 -0.101 0.000 0.443 269 L N -1.569 119.600 121.223 -0.090 0.000 2.042 269 L HA -0.289 nan 4.340 nan 0.000 0.210 269 L C 1.964 178.765 176.870 -0.115 0.000 1.076 269 L CA 2.988 57.806 54.840 -0.037 0.000 0.749 269 L CB -0.028 42.064 42.059 0.055 0.000 0.893 269 L HN -0.284 7.893 8.230 -0.087 0.000 0.432 270 L N -4.404 116.687 121.223 -0.219 0.000 2.291 270 L HA -0.256 nan 4.340 nan 0.000 0.214 270 L C 1.866 178.657 176.870 -0.132 0.000 1.120 270 L CA 2.412 57.142 54.840 -0.184 0.000 0.799 270 L CB -0.007 41.911 42.059 -0.236 0.000 0.925 270 L HN -0.264 7.785 8.230 -0.302 0.000 0.446 271 E N -2.845 117.267 120.200 -0.147 0.000 2.481 271 E HA -0.035 nan 4.350 nan 0.000 0.198 271 E C -0.133 176.333 176.600 -0.223 0.000 1.027 271 E CA -0.291 56.057 56.400 -0.086 0.000 0.900 271 E CB 0.370 30.058 29.700 -0.021 0.000 0.993 271 E HN -0.206 7.916 8.360 -0.167 0.138 0.482 272 N N 1.018 119.470 118.700 -0.414 0.000 2.357 272 N HA -0.246 nan 4.740 nan 0.000 0.257 272 N C 0.196 174.994 175.510 -1.186 0.000 1.250 272 N CA 1.825 54.320 53.050 -0.925 0.000 0.862 272 N CB -0.202 37.531 38.487 -1.256 0.000 1.066 272 N HN -0.569 7.620 8.380 -0.318 0.000 0.468 273 G N -0.755 107.379 108.800 -1.110 0.000 2.175 273 G HA2 -0.361 nan 3.960 nan 0.000 0.244 273 G HA3 -0.361 nan 3.960 nan 0.000 0.244 273 G C -1.352 173.447 174.900 -0.168 0.000 0.982 273 G CA 0.540 45.383 45.100 -0.429 0.000 0.641 273 G HN 0.341 8.033 8.290 -0.998 0.000 0.527 274 I N 0.226 120.628 120.570 -0.279 0.000 2.406 274 I HA 0.303 nan 4.170 nan 0.000 0.290 274 I C -1.124 174.722 176.117 -0.452 0.000 0.999 274 I CA -1.589 59.489 61.300 -0.371 0.000 1.124 274 I CB 1.191 38.957 38.000 -0.389 0.000 1.289 274 I HN -0.657 7.301 8.210 -0.321 0.059 0.441 275 T N 8.597 122.882 114.554 -0.448 0.000 2.743 275 T HA 0.312 nan 4.350 nan 0.000 0.293 275 T C -1.099 173.299 174.700 -0.504 0.000 0.945 275 T CA -0.231 61.664 62.100 -0.341 0.000 1.030 275 T CB 0.373 69.118 68.868 -0.204 0.000 0.912 275 T HN 0.578 8.573 8.240 -0.408 0.000 0.483 276 F N 7.266 127.169 119.950 -0.077 0.000 2.391 276 F HA 0.326 nan 4.527 nan 0.000 0.359 276 F C -1.867 173.895 175.800 -0.063 0.000 1.122 276 F CA -3.260 54.692 58.000 -0.080 0.000 1.120 276 F CB 0.238 39.166 39.000 -0.119 0.000 1.142 276 F HN 0.238 8.555 8.300 0.028 0.000 0.483 277 P HA 0.069 nan 4.420 nan 0.000 0.269 277 P C 0.344 177.669 177.300 0.043 0.000 1.215 277 P CA -0.843 62.277 63.100 0.033 0.000 0.780 277 P CB 0.854 32.567 31.700 0.021 0.000 0.898 278 K N 1.381 121.793 120.400 0.021 0.000 2.505 278 K HA -0.079 nan 4.320 nan 0.000 0.192 278 K C -0.585 176.017 176.600 0.004 0.000 1.025 278 K CA 1.653 57.946 56.287 0.009 0.000 1.086 278 K CB -0.191 32.308 32.500 -0.002 0.000 0.840 278 K HN 0.408 8.666 8.250 0.014 0.000 0.514 279 D N -2.795 117.613 120.400 0.014 0.000 2.277 279 D HA -0.093 nan 4.640 nan 0.000 0.208 279 D C -0.013 176.297 176.300 0.016 0.000 0.962 279 D CA -0.094 53.914 54.000 0.014 0.000 0.865 279 D CB -0.933 39.879 40.800 0.020 0.000 0.939 279 D HN -0.382 7.949 8.370 0.017 0.050 0.510 280 A N 2.435 125.269 122.820 0.024 0.000 2.587 280 A HA -0.089 nan 4.320 nan 0.000 0.233 280 A C -1.402 176.155 177.584 -0.045 0.000 1.049 280 A CA -0.719 51.329 52.037 0.018 0.000 0.754 280 A CB -0.339 18.704 19.000 0.070 0.000 0.977 280 A HN -0.400 7.612 8.150 0.034 0.158 0.509 281 P HA -0.065 nan 4.420 nan 0.000 0.265 281 P C -0.829 176.298 177.300 -0.287 0.000 1.187 281 P CA -0.152 62.866 63.100 -0.136 0.000 0.766 281 P CB 0.473 32.109 31.700 -0.107 0.000 0.820 282 S N 2.518 118.073 115.700 -0.241 0.000 2.569 282 S HA -0.005 nan 4.470 nan 0.000 0.274 282 S C -0.905 173.411 174.600 -0.474 0.000 1.353 282 S CA -0.366 57.660 58.200 -0.290 0.000 1.023 282 S CB -0.596 62.492 63.200 -0.188 0.000 0.876 282 S HN -0.002 8.221 8.310 -0.146 0.000 0.540 283 P HA 0.018 nan 4.420 nan 0.000 0.265 283 P C -1.272 175.814 177.300 -0.356 0.000 1.193 283 P CA -0.006 62.791 63.100 -0.504 0.000 0.765 283 P CB 0.328 31.802 31.700 -0.376 0.000 0.823 284 F N 3.305 123.113 119.950 -0.236 0.000 2.399 284 F HA 0.065 nan 4.527 nan 0.000 0.342 284 F C -0.104 175.414 175.800 -0.470 0.000 1.106 284 F CA -0.923 56.861 58.000 -0.359 0.000 1.196 284 F CB 0.923 39.684 39.000 -0.398 0.000 1.163 284 F HN 0.398 8.392 8.300 -0.510 0.000 0.547 285 I N 2.922 123.346 120.570 -0.243 0.000 2.330 285 I HA 0.150 nan 4.170 nan 0.000 0.286 285 I C -1.036 174.953 176.117 -0.215 0.000 1.025 285 I CA -1.099 60.080 61.300 -0.203 0.000 1.197 285 I CB -0.060 37.871 38.000 -0.115 0.000 1.358 285 I HN 0.470 8.546 8.210 -0.223 0.000 0.467 286 F N 6.516 126.496 119.950 0.050 0.000 2.399 286 F HA 0.116 nan 4.527 nan 0.000 0.342 286 F C -0.277 175.353 175.800 -0.283 0.000 1.106 286 F CA -1.115 56.795 58.000 -0.150 0.000 1.196 286 F CB 0.576 39.247 39.000 -0.548 0.000 1.163 286 F HN 0.423 8.676 8.300 -0.078 0.000 0.547 287 K N 3.608 123.988 120.400 -0.032 0.000 2.326 287 K HA 0.066 nan 4.320 nan 0.000 0.275 287 K C 0.169 176.650 176.600 -0.198 0.000 1.018 287 K CA 0.555 56.796 56.287 -0.078 0.000 0.962 287 K CB 0.381 32.881 32.500 0.000 0.000 0.953 287 K HN 0.018 8.347 8.250 0.131 0.000 0.475 288 T N -1.958 112.586 114.554 -0.017 0.000 2.813 288 T HA 0.112 nan 4.350 nan 0.000 0.297 288 T C 1.566 176.341 174.700 0.125 0.000 1.036 288 T CA -0.734 61.443 62.100 0.128 0.000 1.044 288 T CB 1.191 70.141 68.868 0.135 0.000 0.993 288 T HN 0.221 8.836 8.240 0.012 -0.367 0.535 289 L N 0.801 122.131 121.223 0.179 0.000 2.043 289 L HA -0.448 nan 4.340 nan 0.000 0.212 289 L C 2.066 178.980 176.870 0.075 0.000 1.075 289 L CA 3.801 58.708 54.840 0.112 0.000 0.752 289 L CB -0.530 41.589 42.059 0.100 0.000 0.891 289 L HN -0.066 8.555 8.230 0.259 -0.236 0.432 290 E N -1.012 119.234 120.200 0.076 0.000 2.077 290 E HA -0.354 nan 4.350 nan 0.000 0.193 290 E C 2.795 179.425 176.600 0.050 0.000 0.989 290 E CA 3.009 59.445 56.400 0.059 0.000 0.800 290 E CB -0.530 29.207 29.700 0.062 0.000 0.746 290 E HN 0.153 8.550 8.360 0.092 0.018 0.452 291 E N -1.872 118.358 120.200 0.051 0.000 2.204 291 E HA -0.224 nan 4.350 nan 0.000 0.195 291 E C 1.446 178.067 176.600 0.035 0.000 0.990 291 E CA 2.113 58.537 56.400 0.039 0.000 0.821 291 E CB -0.093 29.627 29.700 0.034 0.000 0.750 291 E HN -0.475 7.841 8.360 0.060 0.081 0.477 292 Q N -3.351 116.471 119.800 0.037 0.000 2.319 292 Q HA 0.028 nan 4.340 nan 0.000 0.202 292 Q C 0.558 176.577 176.000 0.031 0.000 0.896 292 Q CA -0.375 55.447 55.803 0.032 0.000 0.942 292 Q CB 0.883 29.639 28.738 0.030 0.000 1.083 292 Q HN -0.541 7.612 8.270 0.044 0.143 0.510 293 G N -0.899 107.922 108.800 0.034 0.000 2.221 293 G HA2 -0.388 nan 3.960 nan 0.000 0.265 293 G HA3 -0.388 nan 3.960 nan 0.000 0.265 293 G C -0.848 174.071 174.900 0.031 0.000 1.041 293 G CA 0.623 45.742 45.100 0.031 0.000 0.807 293 G HN -0.456 7.678 8.290 0.038 0.178 0.502 294 L N 0.000 121.245 121.223 0.037 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.862 54.840 0.036 0.000 0.813 294 L CB 0.000 42.082 42.059 0.039 0.000 0.961 294 L HN 0.000 8.152 8.230 0.042 0.104 0.502