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 1rpn_1_C DATA FIRST_RESID 2 DATA SEQUENCE TRSALVTGIT GQDGAYLAKL LLEKGYRVHG LVARRSSDTR WRLRELGIEG DATA SEQUENCE DIQYEDGDMA DACSVQRAVI KAQPQEVYNL AAQSFVGASW NQPVTTGVVD DATA SEQUENCE GLGVTHLLEA IRQFSPETRF YQASTSEMFG LIQAERQDEN TPFYPRSPYG DATA SEQUENCE VAKLYGHWIT VNYRESFGLH ASSGILFNHE SPLRGIEFVT RKVTDAVARI DATA SEQUENCE KLGKQQELRL GNVDAKRDWG FAGDYVEAMW LMLQQDKADD YVVATGVTTT DATA SEQUENCE VRDMCQIAFE HVGLDYRDFL KIDPAFFRPA EVDVLLGNPA KAQRVLGWKP DATA SEQUENCE RTSLDELIRM MVEADLRRVS RE 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.671 174.700 -0.048 0.000 1.109 2 T CA 0.000 62.080 62.100 -0.033 0.000 1.349 2 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 3 R N 1.503 121.920 120.500 -0.138 0.000 2.347 3 R HA 0.779 5.119 4.340 -0.000 0.000 0.304 3 R C 0.104 176.395 176.300 -0.014 0.000 1.072 3 R CA 0.403 56.385 56.100 -0.197 0.000 0.980 3 R CB 0.376 30.303 30.300 -0.622 0.000 0.986 3 R HN 0.408 nan 8.270 nan 0.000 0.448 4 S N 0.585 116.365 115.700 0.133 0.000 2.475 4 S HA 0.777 5.247 4.470 -0.000 0.000 0.298 4 S C -0.569 174.252 174.600 0.369 0.000 1.119 4 S CA 0.126 58.484 58.200 0.264 0.000 1.085 4 S CB 1.115 64.425 63.200 0.183 0.000 1.028 4 S HN 1.375 nan 8.310 nan 0.000 0.489 5 A N 3.854 126.930 122.820 0.427 0.000 2.371 5 A HA 0.764 5.084 4.320 -0.000 0.000 0.311 5 A C -1.353 176.410 177.584 0.298 0.000 1.068 5 A CA -0.681 51.575 52.037 0.365 0.000 0.744 5 A CB 1.339 20.533 19.000 0.324 0.000 1.239 5 A HN 0.864 nan 8.150 nan 0.000 0.435 6 L N 3.430 124.805 121.223 0.253 0.000 2.319 6 L HA 0.723 5.063 4.340 -0.000 0.000 0.281 6 L C -0.616 176.398 176.870 0.239 0.000 1.005 6 L CA -0.527 54.445 54.840 0.221 0.000 0.828 6 L CB 1.641 43.791 42.059 0.152 0.000 1.227 6 L HN 0.918 nan 8.230 nan 0.000 0.415 7 V N 3.525 123.556 119.914 0.195 0.000 2.448 7 V HA 0.775 4.895 4.120 -0.000 0.000 0.295 7 V C 0.089 176.269 176.094 0.145 0.000 1.025 7 V CA 0.331 62.742 62.300 0.186 0.000 0.859 7 V CB 1.572 33.448 31.823 0.089 0.000 0.988 7 V HN 0.955 nan 8.190 nan 0.000 0.431 8 T N 2.042 116.691 114.554 0.159 0.000 2.899 8 T HA 0.625 4.975 4.350 -0.000 0.000 0.284 8 T C 1.123 175.893 174.700 0.117 0.000 1.004 8 T CA 0.265 62.449 62.100 0.139 0.000 1.043 8 T CB 1.019 69.979 68.868 0.153 0.000 1.013 8 T HN 2.580 nan 8.240 nan 0.000 0.518 9 G N 1.039 109.900 108.800 0.102 0.000 2.198 9 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 9 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 9 G C 0.514 175.444 174.900 0.050 0.000 1.025 9 G CA 0.286 45.435 45.100 0.081 0.000 0.769 9 G HN 0.972 nan 8.290 nan 0.000 0.507 10 I N 1.170 121.774 120.570 0.058 0.000 2.423 10 I HA -0.071 4.099 4.170 -0.000 0.000 0.254 10 I C 2.709 178.820 176.117 -0.010 0.000 1.151 10 I CA 2.803 64.120 61.300 0.028 0.000 1.421 10 I CB -0.071 37.974 38.000 0.074 0.000 1.079 10 I HN 0.501 nan 8.210 nan 0.000 0.431 11 T N -2.277 112.276 114.554 -0.000 0.000 3.129 11 T HA 0.295 4.645 4.350 -0.000 0.000 0.251 11 T C 1.045 175.672 174.700 -0.122 0.000 1.117 11 T CA 0.154 62.213 62.100 -0.068 0.000 1.034 11 T CB -0.933 67.918 68.868 -0.030 0.000 0.968 11 T HN 0.334 nan 8.240 nan 0.000 0.526 12 G N 0.317 109.075 108.800 -0.069 0.000 2.557 12 G HA2 0.351 4.311 3.960 -0.000 0.000 0.292 12 G HA3 0.351 4.311 3.960 -0.000 0.000 0.292 12 G C 0.528 175.354 174.900 -0.123 0.000 1.237 12 G CA -0.276 44.787 45.100 -0.062 0.000 0.978 12 G HN 0.325 nan 8.290 nan 0.000 0.498 13 Q N -0.869 118.877 119.800 -0.090 0.000 1.985 13 Q HA -0.189 4.151 4.340 -0.000 0.000 0.207 13 Q C 1.710 177.726 176.000 0.026 0.000 0.996 13 Q CA 2.355 58.118 55.803 -0.066 0.000 0.851 13 Q CB -0.225 28.492 28.738 -0.035 0.000 0.921 13 Q HN 0.557 nan 8.270 nan 0.000 0.418 14 D N -0.380 120.049 120.400 0.048 0.000 2.117 14 D HA -0.096 4.544 4.640 -0.000 0.000 0.197 14 D C 1.774 178.069 176.300 -0.009 0.000 0.987 14 D CA 1.350 55.395 54.000 0.075 0.000 0.829 14 D CB -0.728 40.134 40.800 0.104 0.000 0.961 14 D HN 0.537 nan 8.370 nan 0.000 0.460 15 G N 0.798 109.577 108.800 -0.036 0.000 2.440 15 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.218 15 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.218 15 G C 1.700 176.525 174.900 -0.126 0.000 1.154 15 G CA 1.418 46.477 45.100 -0.069 0.000 0.767 15 G HN 0.414 nan 8.290 nan 0.000 0.552 16 A N 0.193 122.906 122.820 -0.179 0.000 1.845 16 A HA 0.007 4.326 4.320 -0.000 0.000 0.215 16 A C 2.232 179.641 177.584 -0.292 0.000 1.195 16 A CA 1.586 53.451 52.037 -0.287 0.000 0.616 16 A CB -0.779 17.947 19.000 -0.457 0.000 0.832 16 A HN 0.427 nan 8.150 nan 0.000 0.443 17 Y N -0.985 119.203 120.300 -0.187 0.000 2.181 17 Y HA -0.178 4.372 4.550 -0.000 0.000 0.288 17 Y C 2.314 178.079 175.900 -0.225 0.000 1.146 17 Y CA 1.334 59.314 58.100 -0.199 0.000 1.164 17 Y CB -0.245 38.071 38.460 -0.239 0.000 0.982 17 Y HN 0.368 nan 8.280 nan 0.000 0.515 18 L N 0.055 121.217 121.223 -0.103 0.000 2.056 18 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 18 L C 2.388 179.088 176.870 -0.284 0.000 1.078 18 L CA 1.891 56.574 54.840 -0.262 0.000 0.749 18 L CB -1.063 40.766 42.059 -0.383 0.000 0.901 18 L HN 0.123 nan 8.230 nan 0.000 0.433 19 A N -0.373 122.313 122.820 -0.222 0.000 1.908 19 A HA -0.297 4.023 4.320 -0.000 0.000 0.218 19 A C 2.463 179.940 177.584 -0.178 0.000 1.181 19 A CA 2.139 54.058 52.037 -0.196 0.000 0.627 19 A CB -0.690 18.215 19.000 -0.158 0.000 0.818 19 A HN 0.523 nan 8.150 nan 0.000 0.445 20 K N -0.404 119.899 120.400 -0.162 0.000 2.032 20 K HA -0.126 4.194 4.320 -0.000 0.000 0.209 20 K C 2.030 178.547 176.600 -0.138 0.000 1.048 20 K CA 1.601 57.810 56.287 -0.130 0.000 0.927 20 K CB -0.337 32.099 32.500 -0.108 0.000 0.712 20 K HN 0.488 nan 8.250 nan 0.000 0.441 21 L N 1.074 122.193 121.223 -0.172 0.000 2.017 21 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 21 L C 2.144 178.828 176.870 -0.310 0.000 1.073 21 L CA 1.278 55.975 54.840 -0.237 0.000 0.745 21 L CB -0.199 41.696 42.059 -0.274 0.000 0.894 21 L HN 0.263 nan 8.230 nan 0.000 0.432 22 L N -0.512 120.502 121.223 -0.348 0.000 2.046 22 L HA -0.248 4.091 4.340 -0.000 0.000 0.208 22 L C 2.576 179.402 176.870 -0.073 0.000 1.077 22 L CA 1.157 55.769 54.840 -0.381 0.000 0.747 22 L CB -0.532 41.231 42.059 -0.493 0.000 0.896 22 L HN 0.343 nan 8.230 nan 0.000 0.432 23 L N -0.378 120.793 121.223 -0.086 0.000 2.046 23 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 23 L C 2.515 179.369 176.870 -0.027 0.000 1.077 23 L CA 1.338 56.159 54.840 -0.032 0.000 0.747 23 L CB -0.474 41.545 42.059 -0.066 0.000 0.896 23 L HN 0.298 nan 8.230 nan 0.000 0.432 24 E N 0.107 120.266 120.200 -0.069 0.000 2.204 24 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 24 E C 1.509 178.072 176.600 -0.061 0.000 0.990 24 E CA 0.826 57.184 56.400 -0.069 0.000 0.821 24 E CB 0.024 29.667 29.700 -0.095 0.000 0.750 24 E HN 0.429 nan 8.360 nan 0.000 0.477 25 K N -0.290 120.083 120.400 -0.046 0.000 2.437 25 K HA 0.098 4.418 4.320 -0.000 0.000 0.198 25 K C 0.717 177.364 176.600 0.079 0.000 1.024 25 K CA 0.380 56.669 56.287 0.003 0.000 1.148 25 K CB 0.764 33.258 32.500 -0.011 0.000 0.860 25 K HN 0.202 nan 8.250 nan 0.000 0.515 26 G N 1.102 109.939 108.800 0.063 0.000 2.143 26 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.248 26 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.248 26 G C -0.283 174.643 174.900 0.042 0.000 0.991 26 G CA -0.076 45.040 45.100 0.028 0.000 0.689 26 G HN 0.250 nan 8.290 nan 0.000 0.522 27 Y N 0.006 120.300 120.300 -0.011 0.000 2.326 27 Y HA 0.537 5.087 4.550 -0.000 0.000 0.333 27 Y C 1.230 177.134 175.900 0.007 0.000 1.240 27 Y CA 0.465 58.581 58.100 0.027 0.000 1.365 27 Y CB 0.580 39.070 38.460 0.051 0.000 1.289 27 Y HN 0.513 nan 8.280 nan 0.000 0.548 28 R N 2.095 122.707 120.500 0.187 0.000 2.210 28 R HA 0.584 4.924 4.340 -0.000 0.000 0.338 28 R C -1.255 175.128 176.300 0.137 0.000 1.062 28 R CA -0.593 55.563 56.100 0.095 0.000 0.902 28 R CB -0.495 29.875 30.300 0.116 0.000 1.050 28 R HN 0.577 nan 8.270 nan 0.000 0.461 29 V N 4.888 124.799 119.914 -0.005 0.000 2.383 29 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 29 V C -0.008 175.977 176.094 -0.181 0.000 1.036 29 V CA -0.791 61.499 62.300 -0.016 0.000 0.889 29 V CB 1.032 32.813 31.823 -0.069 0.000 0.985 29 V HN 0.869 nan 8.190 nan 0.000 0.459 30 H N 3.032 122.090 119.070 -0.020 0.000 2.457 30 H HA 0.572 5.127 4.556 -0.000 0.000 0.335 30 H C 0.253 175.558 175.328 -0.038 0.000 1.115 30 H CA -0.228 55.793 56.048 -0.045 0.000 1.219 30 H CB 2.347 32.119 29.762 0.017 0.000 1.471 30 H HN 0.796 nan 8.280 nan 0.000 0.491 31 G N 3.047 111.847 108.800 0.001 0.000 2.557 31 G HA2 0.345 4.305 3.960 -0.000 0.000 0.310 31 G HA3 0.345 4.305 3.960 -0.000 0.000 0.310 31 G C -0.907 174.089 174.900 0.159 0.000 1.328 31 G CA -0.590 44.547 45.100 0.062 0.000 0.945 31 G HN 0.405 nan 8.290 nan 0.000 0.494 32 L N 3.833 125.146 121.223 0.149 0.000 2.360 32 L HA 0.563 4.903 4.340 -0.000 0.000 0.276 32 L C 0.215 177.173 176.870 0.146 0.000 1.121 32 L CA -0.255 54.671 54.840 0.144 0.000 0.845 32 L CB 1.257 43.390 42.059 0.124 0.000 1.143 32 L HN 0.427 nan 8.230 nan 0.000 0.452 33 V N 3.610 123.609 119.914 0.142 0.000 2.483 33 V HA 0.888 5.008 4.120 -0.000 0.000 0.297 33 V C 0.346 176.481 176.094 0.067 0.000 1.027 33 V CA -0.593 61.769 62.300 0.103 0.000 0.855 33 V CB 0.686 32.557 31.823 0.081 0.000 0.995 33 V HN 1.011 nan 8.190 nan 0.000 0.424 34 A N 4.773 127.628 122.820 0.059 0.000 2.406 34 A HA 0.563 4.883 4.320 -0.000 0.000 0.243 34 A C 0.595 178.198 177.584 0.031 0.000 1.082 34 A CA -0.419 51.648 52.037 0.049 0.000 0.786 34 A CB 0.331 19.364 19.000 0.054 0.000 1.029 34 A HN 0.963 nan 8.150 nan 0.000 0.495 35 R N 1.111 121.627 120.500 0.026 0.000 2.298 35 R HA 0.237 4.577 4.340 -0.000 0.000 0.310 35 R C -0.875 175.434 176.300 0.016 0.000 1.068 35 R CA -0.011 56.098 56.100 0.015 0.000 0.957 35 R CB 0.128 30.436 30.300 0.013 0.000 1.003 35 R HN 0.732 nan 8.270 nan 0.000 0.454 36 R N 1.503 122.009 120.500 0.009 0.000 2.807 36 R HA 0.162 4.502 4.340 -0.000 0.000 0.276 36 R C 1.091 177.394 176.300 0.006 0.000 0.979 36 R CA -0.496 55.611 56.100 0.013 0.000 0.928 36 R CB 1.698 32.009 30.300 0.018 0.000 1.191 36 R HN 0.786 nan 8.270 nan 0.000 0.471 37 S N -0.810 114.895 115.700 0.008 0.000 2.507 37 S HA 0.010 4.480 4.470 -0.000 0.000 0.235 37 S C 0.435 175.035 174.600 0.000 0.000 0.988 37 S CA 0.458 58.660 58.200 0.004 0.000 0.944 37 S CB 0.111 63.315 63.200 0.006 0.000 0.762 37 S HN 0.457 nan 8.310 nan 0.000 0.526 38 S N 0.639 116.340 115.700 0.002 0.000 2.618 38 S HA 0.342 4.812 4.470 -0.000 0.000 0.277 38 S C -1.319 173.280 174.600 -0.001 0.000 1.138 38 S CA -0.895 57.304 58.200 -0.001 0.000 0.844 38 S CB 1.500 64.701 63.200 0.002 0.000 1.127 38 S HN 0.456 nan 8.310 nan 0.000 0.474 39 D N 1.485 121.882 120.400 -0.005 0.000 2.458 39 D HA 0.071 4.711 4.640 -0.000 0.000 0.243 39 D C 0.318 176.639 176.300 0.034 0.000 1.146 39 D CA 0.498 54.492 54.000 -0.010 0.000 0.877 39 D CB 0.785 41.577 40.800 -0.013 0.000 1.176 39 D HN 0.658 nan 8.370 nan 0.000 0.461 40 T N 0.885 115.461 114.554 0.038 0.000 3.339 40 T HA 0.258 4.608 4.350 -0.000 0.000 0.292 40 T C 0.890 175.651 174.700 0.102 0.000 1.012 40 T CA -0.598 61.575 62.100 0.123 0.000 0.937 40 T CB -0.032 68.894 68.868 0.097 0.000 1.164 40 T HN 0.366 nan 8.240 nan 0.000 0.509 41 R N 1.158 121.681 120.500 0.037 0.000 2.449 41 R HA 0.214 4.554 4.340 -0.000 0.000 0.262 41 R C 1.754 178.037 176.300 -0.028 0.000 1.006 41 R CA -0.225 55.850 56.100 -0.042 0.000 1.104 41 R CB -0.240 30.012 30.300 -0.080 0.000 1.206 41 R HN 0.668 nan 8.270 nan 0.000 0.538 42 W N 1.236 122.513 121.300 -0.039 0.000 2.325 42 W HA -0.199 4.460 4.660 -0.000 0.000 0.299 42 W C 0.784 177.274 176.519 -0.048 0.000 1.215 42 W CA 0.763 58.085 57.345 -0.039 0.000 1.244 42 W CB -0.607 28.831 29.460 -0.036 0.000 1.140 42 W HN 0.049 nan 8.180 nan 0.000 0.523 43 R N 0.804 120.669 120.500 -1.059 0.000 2.081 43 R HA -0.080 4.260 4.340 -0.000 0.000 0.235 43 R C 2.562 178.572 176.300 -0.483 0.000 1.131 43 R CA 1.904 57.379 56.100 -1.040 0.000 0.960 43 R CB -0.666 28.971 30.300 -1.105 0.000 0.856 43 R HN 0.283 nan 8.270 nan 0.000 0.436 44 L N 0.152 121.183 121.223 -0.320 0.000 2.056 44 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 44 L C 2.589 179.393 176.870 -0.109 0.000 1.078 44 L CA 1.321 56.056 54.840 -0.175 0.000 0.749 44 L CB -0.413 41.611 42.059 -0.059 0.000 0.901 44 L HN 0.144 nan 8.230 nan 0.000 0.433 45 R N 0.178 120.640 120.500 -0.063 0.000 2.075 45 R HA -0.203 4.137 4.340 -0.000 0.000 0.232 45 R C 2.184 178.474 176.300 -0.017 0.000 1.126 45 R CA 1.505 57.599 56.100 -0.011 0.000 0.963 45 R CB -0.295 30.027 30.300 0.038 0.000 0.858 45 R HN 0.355 nan 8.270 nan 0.000 0.435 46 E N 0.709 120.895 120.200 -0.024 0.000 2.160 46 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 46 E C 1.111 177.672 176.600 -0.065 0.000 0.991 46 E CA 0.992 57.386 56.400 -0.010 0.000 0.810 46 E CB 0.126 29.832 29.700 0.010 0.000 0.742 46 E HN 0.066 nan 8.360 nan 0.000 0.466 47 L N -0.291 120.853 121.223 -0.131 0.000 2.592 47 L HA 0.289 4.629 4.340 -0.000 0.000 0.227 47 L C 1.281 178.100 176.870 -0.085 0.000 1.127 47 L CA 1.048 55.806 54.840 -0.137 0.000 0.884 47 L CB 0.096 42.014 42.059 -0.235 0.000 1.065 47 L HN 0.308 nan 8.230 nan 0.000 0.457 48 G N 0.982 109.746 108.800 -0.059 0.000 2.249 48 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.273 48 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.273 48 G C 0.837 175.712 174.900 -0.042 0.000 1.036 48 G CA 0.759 45.837 45.100 -0.037 0.000 0.824 48 G HN 0.589 nan 8.290 nan 0.000 0.504 49 I N -4.517 116.021 120.570 -0.054 0.000 4.102 49 I HA 0.447 4.617 4.170 -0.000 0.000 0.325 49 I C 1.317 177.417 176.117 -0.027 0.000 1.471 49 I CA 0.074 61.341 61.300 -0.055 0.000 1.133 49 I CB 0.495 38.444 38.000 -0.086 0.000 1.184 49 I HN 0.028 nan 8.210 nan 0.000 0.451 50 E N 2.773 122.979 120.200 0.009 0.000 2.153 50 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 50 E C 1.869 178.553 176.600 0.139 0.000 0.988 50 E CA 1.753 58.212 56.400 0.097 0.000 0.811 50 E CB 0.119 29.860 29.700 0.069 0.000 0.746 50 E HN 0.662 nan 8.360 nan 0.000 0.466 51 G N 0.028 108.863 108.800 0.058 0.000 3.042 51 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.212 51 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.212 51 G C 0.751 175.645 174.900 -0.010 0.000 1.166 51 G CA -0.003 45.127 45.100 0.049 0.000 0.767 51 G HN 0.121 nan 8.290 nan 0.000 0.546 52 D N 0.437 120.807 120.400 -0.050 0.000 2.363 52 D HA 0.137 4.777 4.640 -0.000 0.000 0.214 52 D C 0.386 176.582 176.300 -0.174 0.000 1.093 52 D CA 0.028 53.974 54.000 -0.091 0.000 0.837 52 D CB 1.138 41.893 40.800 -0.075 0.000 0.948 52 D HN 0.153 nan 8.370 nan 0.000 0.507 53 I N 1.196 121.600 120.570 -0.277 0.000 2.493 53 I HA 0.183 4.353 4.170 -0.000 0.000 0.298 53 I C 0.418 176.123 176.117 -0.686 0.000 0.998 53 I CA -0.673 60.315 61.300 -0.519 0.000 1.137 53 I CB 1.609 39.165 38.000 -0.741 0.000 1.310 53 I HN -0.305 nan 8.210 nan 0.000 0.445 54 Q N 5.327 124.766 119.800 -0.602 0.000 2.390 54 Q HA 0.323 4.663 4.340 -0.000 0.000 0.249 54 Q C -1.413 174.348 176.000 -0.398 0.000 0.996 54 Q CA -0.497 55.025 55.803 -0.467 0.000 0.899 54 Q CB 0.833 29.215 28.738 -0.594 0.000 1.216 54 Q HN 0.338 nan 8.270 nan 0.000 0.465 55 Y N 1.548 121.837 120.300 -0.018 0.000 2.335 55 Y HA 0.094 4.644 4.550 -0.000 0.000 0.331 55 Y C 0.560 176.494 175.900 0.057 0.000 1.094 55 Y CA -0.226 57.887 58.100 0.021 0.000 1.253 55 Y CB 0.788 39.253 38.460 0.008 0.000 1.203 55 Y HN 0.371 nan 8.280 nan 0.000 0.508 56 E N 2.317 122.647 120.200 0.217 0.000 2.145 56 E HA 0.101 4.451 4.350 -0.000 0.000 0.270 56 E C -1.240 175.439 176.600 0.132 0.000 0.906 56 E CA -0.816 55.677 56.400 0.155 0.000 0.761 56 E CB 1.508 31.291 29.700 0.137 0.000 1.116 56 E HN 0.513 nan 8.360 nan 0.000 0.408 57 D N 2.155 122.612 120.400 0.096 0.000 2.352 57 D HA 0.426 5.066 4.640 -0.000 0.000 0.245 57 D C -0.185 176.145 176.300 0.050 0.000 1.224 57 D CA 0.048 54.088 54.000 0.067 0.000 0.879 57 D CB 0.434 41.263 40.800 0.048 0.000 1.057 57 D HN 0.541 nan 8.370 nan 0.000 0.491 58 G N 2.356 111.188 108.800 0.054 0.000 2.559 58 G HA2 0.363 4.323 3.960 -0.000 0.000 0.291 58 G HA3 0.363 4.323 3.960 -0.000 0.000 0.291 58 G C -1.836 173.095 174.900 0.051 0.000 1.424 58 G CA -0.705 44.421 45.100 0.042 0.000 0.786 58 G HN 0.381 nan 8.290 nan 0.000 0.485 59 D N 0.111 120.539 120.400 0.046 0.000 2.879 59 D HA 0.296 4.936 4.640 -0.000 0.000 0.236 59 D C 1.227 177.575 176.300 0.081 0.000 1.171 59 D CA -0.696 53.340 54.000 0.060 0.000 0.868 59 D CB 2.026 42.855 40.800 0.048 0.000 1.598 59 D HN 0.132 nan 8.370 nan 0.000 0.497 60 M N 1.913 121.577 119.600 0.107 0.000 2.267 60 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 60 M C 1.773 178.216 176.300 0.239 0.000 1.063 60 M CA 0.999 56.391 55.300 0.154 0.000 1.090 60 M CB -1.236 31.442 32.600 0.130 0.000 1.392 60 M HN 0.500 nan 8.290 nan 0.000 0.422 61 A N -0.846 122.073 122.820 0.164 0.000 2.169 61 A HA -0.043 4.277 4.320 -0.000 0.000 0.212 61 A C 0.808 178.443 177.584 0.086 0.000 1.153 61 A CA 0.487 52.632 52.037 0.180 0.000 0.756 61 A CB -0.299 18.761 19.000 0.100 0.000 0.813 61 A HN 0.355 nan 8.150 nan 0.000 0.471 62 D N 0.011 120.417 120.400 0.011 0.000 2.485 62 D HA 0.551 5.191 4.640 -0.000 0.000 0.229 62 D C 1.139 177.322 176.300 -0.196 0.000 1.101 62 D CA 0.377 54.323 54.000 -0.091 0.000 0.906 62 D CB 1.011 41.790 40.800 -0.035 0.000 1.019 62 D HN 0.099 nan 8.370 nan 0.000 0.516 63 A N 2.646 125.173 122.820 -0.489 0.000 1.948 63 A HA -0.219 4.101 4.320 -0.000 0.000 0.220 63 A C 2.305 179.762 177.584 -0.211 0.000 1.177 63 A CA 1.318 53.040 52.037 -0.526 0.000 0.636 63 A CB -0.540 18.029 19.000 -0.718 0.000 0.815 63 A HN 0.721 nan 8.150 nan 0.000 0.449 64 C N -0.209 118.994 119.300 -0.162 0.000 2.446 64 C HA -0.064 4.396 4.460 -0.000 0.000 0.277 64 C C 3.394 178.339 174.990 -0.076 0.000 1.275 64 C CA 1.245 60.204 59.018 -0.099 0.000 1.727 64 C CB -1.289 26.404 27.740 -0.078 0.000 2.010 64 C HN 0.815 nan 8.230 nan 0.000 0.486 65 S N 0.987 116.649 115.700 -0.064 0.000 2.402 65 S HA -0.097 4.373 4.470 -0.000 0.000 0.229 65 S C 1.698 176.283 174.600 -0.025 0.000 1.021 65 S CA 1.640 59.819 58.200 -0.035 0.000 0.974 65 S CB -0.705 62.486 63.200 -0.015 0.000 0.800 65 S HN 0.402 nan 8.310 nan 0.000 0.484 66 V N 1.975 121.874 119.914 -0.026 0.000 2.307 66 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 66 V C 2.983 179.065 176.094 -0.019 0.000 1.045 66 V CA 2.184 64.487 62.300 0.005 0.000 1.024 66 V CB -1.058 30.785 31.823 0.034 0.000 0.651 66 V HN 0.525 nan 8.190 nan 0.000 0.449 67 Q N 0.815 120.586 119.800 -0.049 0.000 2.061 67 Q HA -0.250 4.090 4.340 -0.000 0.000 0.204 67 Q C 2.308 178.232 176.000 -0.128 0.000 0.984 67 Q CA 2.364 58.124 55.803 -0.071 0.000 0.846 67 Q CB -0.488 28.206 28.738 -0.074 0.000 0.902 67 Q HN 0.570 nan 8.270 nan 0.000 0.421 68 R N -0.554 119.880 120.500 -0.111 0.000 2.096 68 R HA -0.187 4.153 4.340 -0.000 0.000 0.240 68 R C 2.078 178.305 176.300 -0.122 0.000 1.139 68 R CA 1.725 57.750 56.100 -0.126 0.000 0.952 68 R CB -0.636 29.618 30.300 -0.077 0.000 0.854 68 R HN 0.338 nan 8.270 nan 0.000 0.436 69 A N 0.311 123.093 122.820 -0.064 0.000 1.908 69 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 69 A C 2.329 179.872 177.584 -0.069 0.000 1.181 69 A CA 1.733 53.751 52.037 -0.032 0.000 0.627 69 A CB -0.640 18.374 19.000 0.023 0.000 0.818 69 A HN 0.255 nan 8.150 nan 0.000 0.445 70 V N 0.213 120.088 119.914 -0.065 0.000 2.295 70 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 70 V C 2.435 178.437 176.094 -0.153 0.000 1.049 70 V CA 2.085 64.365 62.300 -0.032 0.000 1.024 70 V CB -0.635 31.215 31.823 0.046 0.000 0.648 70 V HN 0.578 nan 8.190 nan 0.000 0.447 71 I N 0.355 120.642 120.570 -0.472 0.000 2.179 71 I HA -0.233 3.937 4.170 -0.000 0.000 0.242 71 I C 2.901 178.765 176.117 -0.421 0.000 1.088 71 I CA 1.950 62.653 61.300 -0.995 0.000 1.357 71 I CB -0.697 36.703 38.000 -0.999 0.000 1.051 71 I HN 0.359 nan 8.210 nan 0.000 0.409 72 K N 1.023 121.272 120.400 -0.252 0.000 2.057 72 K HA 0.000 4.320 4.320 -0.000 0.000 0.207 72 K C 2.197 178.698 176.600 -0.165 0.000 1.049 72 K CA 1.537 57.742 56.287 -0.138 0.000 0.931 72 K CB -1.234 31.224 32.500 -0.071 0.000 0.714 72 K HN 0.473 nan 8.250 nan 0.000 0.440 73 A N 0.029 122.678 122.820 -0.285 0.000 2.067 73 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 73 A C 0.995 178.391 177.584 -0.314 0.000 1.156 73 A CA 0.973 52.601 52.037 -0.681 0.000 0.683 73 A CB -0.171 18.399 19.000 -0.718 0.000 0.808 73 A HN 0.648 nan 8.150 nan 0.000 0.455 74 Q N -0.731 119.048 119.800 -0.034 0.000 2.406 74 Q HA -0.142 4.198 4.340 -0.000 0.000 0.339 74 Q C -2.258 173.783 176.000 0.067 0.000 1.337 74 Q CA 0.428 56.322 55.803 0.152 0.000 0.985 74 Q CB -1.639 27.185 28.738 0.144 0.000 1.216 74 Q HN 0.607 nan 8.270 nan 0.000 0.415 75 P HA 0.004 nan 4.420 nan 0.000 0.279 75 P C -0.119 177.236 177.300 0.091 0.000 1.239 75 P CA 0.039 63.189 63.100 0.083 0.000 0.789 75 P CB 1.162 32.918 31.700 0.093 0.000 0.933 76 Q N 0.603 120.468 119.800 0.107 0.000 2.398 76 Q HA 0.087 4.427 4.340 -0.000 0.000 0.204 76 Q C 0.079 176.118 176.000 0.064 0.000 0.932 76 Q CA 1.216 57.061 55.803 0.070 0.000 0.916 76 Q CB 0.298 29.077 28.738 0.070 0.000 1.024 76 Q HN 0.606 nan 8.270 nan 0.000 0.504 77 E N -0.698 119.570 120.200 0.114 0.000 2.292 77 E HA 0.517 4.867 4.350 -0.000 0.000 0.272 77 E C -1.498 175.103 176.600 0.002 0.000 0.881 77 E CA -0.587 55.820 56.400 0.011 0.000 0.754 77 E CB 2.852 32.598 29.700 0.077 0.000 1.201 77 E HN -0.230 nan 8.360 nan 0.000 0.425 78 V N 3.221 123.062 119.914 -0.121 0.000 2.483 78 V HA 0.319 4.439 4.120 -0.000 0.000 0.297 78 V C -1.452 174.496 176.094 -0.243 0.000 1.027 78 V CA -0.771 61.533 62.300 0.007 0.000 0.855 78 V CB 0.863 32.828 31.823 0.238 0.000 0.995 78 V HN 0.611 nan 8.190 nan 0.000 0.424 79 Y N 3.137 123.464 120.300 0.044 0.000 2.402 79 Y HA 0.342 4.892 4.550 -0.000 0.000 0.332 79 Y C 0.787 176.706 175.900 0.032 0.000 0.960 79 Y CA -0.359 57.752 58.100 0.017 0.000 1.228 79 Y CB 1.090 39.535 38.460 -0.025 0.000 1.120 79 Y HN 0.623 nan 8.280 nan 0.000 0.491 80 N N 5.297 124.010 118.700 0.023 0.000 2.555 80 N HA 0.157 4.897 4.740 -0.000 0.000 0.244 80 N C 0.093 175.686 175.510 0.138 0.000 1.114 80 N CA 0.021 53.129 53.050 0.098 0.000 0.963 80 N CB 0.409 38.957 38.487 0.103 0.000 1.276 80 N HN 0.792 nan 8.380 nan 0.000 0.510 81 L N 1.889 123.213 121.223 0.169 0.000 2.638 81 L HA 0.313 4.653 4.340 -0.000 0.000 0.232 81 L C 1.029 177.979 176.870 0.134 0.000 1.099 81 L CA -0.234 54.702 54.840 0.160 0.000 0.883 81 L CB 0.035 42.175 42.059 0.136 0.000 1.136 81 L HN 0.393 nan 8.230 nan 0.000 0.492 82 A N 1.218 124.116 122.820 0.130 0.000 2.477 82 A HA 0.609 4.929 4.320 -0.000 0.000 0.246 82 A C 0.286 177.948 177.584 0.129 0.000 1.078 82 A CA 0.668 52.779 52.037 0.122 0.000 0.770 82 A CB 0.113 19.185 19.000 0.120 0.000 1.011 82 A HN 0.348 nan 8.150 nan 0.000 0.494 83 A N 1.467 124.369 122.820 0.135 0.000 2.550 83 A HA 0.509 4.829 4.320 -0.000 0.000 0.295 83 A C -0.853 176.834 177.584 0.171 0.000 1.001 83 A CA -0.544 51.587 52.037 0.157 0.000 0.660 83 A CB 0.512 19.633 19.000 0.200 0.000 1.308 83 A HN 0.922 nan 8.150 nan 0.000 0.426 84 Q N 1.433 121.339 119.800 0.178 0.000 2.472 84 Q HA 0.286 4.626 4.340 -0.000 0.000 0.227 84 Q C 0.819 176.950 176.000 0.219 0.000 1.156 84 Q CA 0.605 56.510 55.803 0.169 0.000 0.924 84 Q CB 0.351 29.171 28.738 0.137 0.000 1.354 84 Q HN 1.158 nan 8.270 nan 0.000 0.525 85 S N 3.401 119.228 115.700 0.211 0.000 2.593 85 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 85 S C 0.259 174.845 174.600 -0.023 0.000 0.966 85 S CA -0.453 57.834 58.200 0.146 0.000 0.914 85 S CB -0.063 63.271 63.200 0.224 0.000 0.776 85 S HN 0.400 nan 8.310 nan 0.000 0.523 86 F N 2.349 122.201 119.950 -0.164 0.000 2.404 86 F HA 0.505 5.032 4.527 -0.000 0.000 0.358 86 F C 0.998 176.575 175.800 -0.373 0.000 1.120 86 F CA -1.721 56.088 58.000 -0.319 0.000 1.144 86 F CB 1.073 39.852 39.000 -0.368 0.000 1.133 86 F HN -0.129 nan 8.300 nan 0.000 0.495 87 V N 5.872 125.332 119.914 -0.756 0.000 2.392 87 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 87 V C 2.408 178.063 176.094 -0.732 0.000 1.059 87 V CA 2.400 64.307 62.300 -0.655 0.000 1.051 87 V CB -1.246 30.381 31.823 -0.327 0.000 0.658 87 V HN 0.975 nan 8.190 nan 0.000 0.455 88 G N -0.696 107.198 108.800 -1.509 0.000 2.479 88 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.220 88 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.220 88 G C 1.454 176.131 174.900 -0.373 0.000 1.115 88 G CA 0.967 45.471 45.100 -0.993 0.000 0.757 88 G HN 0.645 nan 8.290 nan 0.000 0.560 89 A N 0.646 123.240 122.820 -0.378 0.000 2.220 89 A HA 0.307 4.627 4.320 -0.000 0.000 0.211 89 A C 2.489 180.064 177.584 -0.014 0.000 1.176 89 A CA 1.279 53.325 52.037 0.016 0.000 0.834 89 A CB -0.192 18.915 19.000 0.177 0.000 0.868 89 A HN 0.530 nan 8.150 nan 0.000 0.488 90 S N -1.157 114.443 115.700 -0.166 0.000 2.419 90 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 90 S C 1.642 176.116 174.600 -0.210 0.000 1.016 90 S CA 0.715 58.778 58.200 -0.228 0.000 0.974 90 S CB -0.603 62.363 63.200 -0.389 0.000 0.786 90 S HN 0.699 nan 8.310 nan 0.000 0.492 91 W N 2.101 123.388 121.300 -0.021 0.000 2.576 91 W HA 0.205 4.865 4.660 0.000 0.000 0.270 91 W C 1.861 178.381 176.519 0.001 0.000 1.255 91 W CA 0.215 57.557 57.345 -0.005 0.000 1.314 91 W CB -0.791 28.663 29.460 -0.010 0.000 1.101 91 W HN 0.503 nan 8.180 nan 0.000 0.595 92 N N 0.203 119.032 118.700 0.215 0.000 2.207 92 N HA -0.117 4.623 4.740 -0.000 0.000 0.182 92 N C 0.723 176.285 175.510 0.088 0.000 1.020 92 N CA 0.892 54.022 53.050 0.134 0.000 0.858 92 N CB -0.074 38.483 38.487 0.116 0.000 0.991 92 N HN 0.145 nan 8.380 nan 0.000 0.427 93 Q N -0.216 119.623 119.800 0.066 0.000 3.122 93 Q HA 0.300 4.640 4.340 -0.000 0.000 0.282 93 Q C -2.526 173.481 176.000 0.012 0.000 0.947 93 Q CA -1.641 54.187 55.803 0.041 0.000 0.812 93 Q CB 1.520 30.285 28.738 0.045 0.000 1.333 93 Q HN 0.099 nan 8.270 nan 0.000 0.430 94 P HA -0.136 nan 4.420 nan 0.000 0.219 94 P C 1.127 178.405 177.300 -0.037 0.000 1.150 94 P CA 0.640 63.717 63.100 -0.038 0.000 0.814 94 P CB 0.441 32.127 31.700 -0.023 0.000 0.787 95 V N 0.429 120.333 119.914 -0.018 0.000 2.283 95 V HA -0.152 3.968 4.120 -0.000 0.000 0.243 95 V C 2.720 178.800 176.094 -0.023 0.000 1.039 95 V CA 2.482 64.766 62.300 -0.025 0.000 1.016 95 V CB -1.900 29.916 31.823 -0.011 0.000 0.650 95 V HN 0.139 nan 8.190 nan 0.000 0.449 96 T N -0.247 114.307 114.554 -0.001 0.000 2.788 96 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 96 T C 1.956 176.662 174.700 0.010 0.000 1.044 96 T CA 2.102 64.209 62.100 0.011 0.000 1.139 96 T CB -0.327 68.559 68.868 0.030 0.000 0.867 96 T HN 0.555 nan 8.240 nan 0.000 0.454 97 T N 0.896 115.454 114.554 0.006 0.000 2.746 97 T HA -0.046 4.304 4.350 -0.000 0.000 0.267 97 T C 2.204 176.888 174.700 -0.027 0.000 1.039 97 T CA 1.327 63.438 62.100 0.018 0.000 1.142 97 T CB -0.748 68.126 68.868 0.009 0.000 0.866 97 T HN 0.511 nan 8.240 nan 0.000 0.444 98 G N 0.834 109.593 108.800 -0.069 0.000 2.402 98 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.216 98 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.216 98 G C 1.705 176.510 174.900 -0.158 0.000 1.162 98 G CA 0.708 45.729 45.100 -0.132 0.000 0.777 98 G HN 0.419 nan 8.290 nan 0.000 0.539 99 V N 0.506 120.358 119.914 -0.103 0.000 2.261 99 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 99 V C 3.014 179.063 176.094 -0.074 0.000 1.047 99 V CA 1.675 63.920 62.300 -0.093 0.000 1.015 99 V CB -0.482 31.327 31.823 -0.024 0.000 0.642 99 V HN 0.244 nan 8.190 nan 0.000 0.446 100 V N 0.335 120.239 119.914 -0.016 0.000 2.283 100 V HA -0.194 3.926 4.120 -0.000 0.000 0.243 100 V C 2.124 178.227 176.094 0.015 0.000 1.039 100 V CA 2.182 64.496 62.300 0.023 0.000 1.016 100 V CB -0.683 31.176 31.823 0.060 0.000 0.650 100 V HN 0.548 nan 8.190 nan 0.000 0.449 101 D N 0.072 120.476 120.400 0.008 0.000 2.277 101 D HA 0.026 4.666 4.640 -0.000 0.000 0.208 101 D C 1.876 178.162 176.300 -0.022 0.000 0.962 101 D CA 1.294 55.297 54.000 0.004 0.000 0.865 101 D CB -0.095 40.699 40.800 -0.010 0.000 0.939 101 D HN 0.466 nan 8.370 nan 0.000 0.510 102 G N 0.186 108.940 108.800 -0.077 0.000 2.765 102 G HA2 0.041 4.001 3.960 -0.000 0.000 0.218 102 G HA3 0.041 4.001 3.960 -0.000 0.000 0.218 102 G C 1.500 176.341 174.900 -0.098 0.000 1.271 102 G CA -0.233 44.828 45.100 -0.065 0.000 0.865 102 G HN 0.142 nan 8.290 nan 0.000 0.604 103 L N 1.426 122.443 121.223 -0.342 0.000 2.131 103 L HA -0.001 4.338 4.340 -0.000 0.000 0.210 103 L C 3.085 179.608 176.870 -0.578 0.000 1.092 103 L CA 0.917 55.509 54.840 -0.413 0.000 0.759 103 L CB -0.643 41.155 42.059 -0.435 0.000 0.903 103 L HN 0.360 nan 8.230 nan 0.000 0.435 104 G N -0.025 108.586 108.800 -0.314 0.000 2.442 104 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 104 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 104 G C 1.577 176.440 174.900 -0.062 0.000 1.141 104 G CA 1.035 46.050 45.100 -0.141 0.000 0.763 104 G HN 0.226 nan 8.290 nan 0.000 0.554 105 V N 0.941 120.840 119.914 -0.025 0.000 2.295 105 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 105 V C 3.119 179.112 176.094 -0.169 0.000 1.049 105 V CA 2.344 64.655 62.300 0.019 0.000 1.024 105 V CB -1.153 30.715 31.823 0.075 0.000 0.648 105 V HN 0.384 nan 8.190 nan 0.000 0.447 106 T N -0.982 113.479 114.554 -0.155 0.000 2.720 106 T HA -0.220 4.130 4.350 -0.000 0.000 0.268 106 T C 1.837 176.443 174.700 -0.157 0.000 1.037 106 T CA 1.812 63.779 62.100 -0.221 0.000 1.144 106 T CB -0.408 68.449 68.868 -0.018 0.000 0.864 106 T HN 0.521 nan 8.240 nan 0.000 0.444 107 H N 0.769 119.789 119.070 -0.084 0.000 2.319 107 H HA 0.071 4.627 4.556 -0.000 0.000 0.299 107 H C 2.346 177.607 175.328 -0.112 0.000 1.092 107 H CA 0.841 56.849 56.048 -0.067 0.000 1.302 107 H CB -0.821 28.928 29.762 -0.021 0.000 1.373 107 H HN 0.265 nan 8.280 nan 0.000 0.497 108 L N -0.063 121.156 121.223 -0.006 0.000 2.056 108 L HA -0.138 4.202 4.340 -0.000 0.000 0.207 108 L C 2.479 179.150 176.870 -0.331 0.000 1.078 108 L CA 0.644 55.429 54.840 -0.090 0.000 0.749 108 L CB -0.293 41.785 42.059 0.032 0.000 0.901 108 L HN 0.180 nan 8.230 nan 0.000 0.433 109 L N -0.805 120.052 121.223 -0.609 0.000 2.046 109 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 109 L C 2.674 179.313 176.870 -0.384 0.000 1.077 109 L CA 1.076 55.453 54.840 -0.772 0.000 0.747 109 L CB -0.501 40.791 42.059 -1.278 0.000 0.896 109 L HN 0.260 nan 8.230 nan 0.000 0.432 110 E N 0.102 120.152 120.200 -0.251 0.000 2.072 110 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 110 E C 2.286 178.868 176.600 -0.030 0.000 0.985 110 E CA 1.331 57.708 56.400 -0.038 0.000 0.801 110 E CB -0.164 29.555 29.700 0.033 0.000 0.750 110 E HN 0.459 nan 8.360 nan 0.000 0.452 111 A N 1.323 124.122 122.820 -0.035 0.000 1.902 111 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 111 A C 2.163 179.782 177.584 0.057 0.000 1.181 111 A CA 1.087 53.133 52.037 0.014 0.000 0.623 111 A CB -0.368 18.638 19.000 0.010 0.000 0.818 111 A HN 0.127 nan 8.150 nan 0.000 0.443 112 I N -0.592 119.974 120.570 -0.007 0.000 2.233 112 I HA -0.137 4.033 4.170 -0.000 0.000 0.243 112 I C 2.530 178.642 176.117 -0.008 0.000 1.093 112 I CA 1.278 62.584 61.300 0.010 0.000 1.380 112 I CB -1.179 36.788 38.000 -0.054 0.000 1.067 112 I HN 0.383 nan 8.210 nan 0.000 0.413 113 R N 0.896 121.373 120.500 -0.038 0.000 2.091 113 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 113 R C 2.057 178.302 176.300 -0.092 0.000 1.136 113 R CA 1.561 57.608 56.100 -0.088 0.000 0.959 113 R CB -0.004 30.202 30.300 -0.157 0.000 0.856 113 R HN 0.529 nan 8.270 nan 0.000 0.437 114 Q N -1.669 118.110 119.800 -0.036 0.000 2.302 114 Q HA -0.070 4.270 4.340 -0.000 0.000 0.202 114 Q C 1.459 177.504 176.000 0.074 0.000 0.936 114 Q CA 0.854 56.655 55.803 -0.004 0.000 0.886 114 Q CB 0.177 28.920 28.738 0.009 0.000 0.986 114 Q HN 0.279 nan 8.270 nan 0.000 0.487 115 F N 0.511 120.432 119.950 -0.048 0.000 2.514 115 F HA 0.137 4.664 4.527 -0.000 0.000 0.281 115 F C 0.183 175.966 175.800 -0.028 0.000 1.060 115 F CA 0.537 58.516 58.000 -0.035 0.000 1.397 115 F CB 0.834 39.815 39.000 -0.032 0.000 1.129 115 F HN -0.177 nan 8.300 nan 0.000 0.620 116 S N 1.345 116.871 115.700 -0.290 0.000 2.356 116 S HA 0.343 4.813 4.470 -0.000 0.000 0.171 116 S C -2.213 172.308 174.600 -0.131 0.000 1.399 116 S CA -0.990 56.988 58.200 -0.369 0.000 1.225 116 S CB 0.771 63.706 63.200 -0.441 0.000 1.271 116 S HN 0.112 nan 8.310 nan 0.000 0.427 117 P HA -0.062 nan 4.420 nan 0.000 0.231 117 P C 0.613 177.910 177.300 -0.005 0.000 1.158 117 P CA 0.946 64.024 63.100 -0.036 0.000 0.763 117 P CB 0.253 31.930 31.700 -0.038 0.000 0.805 118 E N -0.183 119.996 120.200 -0.035 0.000 2.340 118 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 118 E C 1.136 177.732 176.600 -0.006 0.000 0.996 118 E CA 0.437 56.829 56.400 -0.015 0.000 0.869 118 E CB -0.697 28.979 29.700 -0.041 0.000 0.835 118 E HN 0.304 nan 8.360 nan 0.000 0.493 119 T N 0.526 115.078 114.554 -0.003 0.000 2.916 119 T HA 0.146 4.495 4.350 -0.000 0.000 0.303 119 T C 0.359 175.084 174.700 0.042 0.000 1.025 119 T CA -0.440 61.670 62.100 0.016 0.000 1.142 119 T CB 0.676 69.573 68.868 0.049 0.000 0.947 119 T HN -0.102 nan 8.240 nan 0.000 0.544 120 R N 2.219 122.709 120.500 -0.017 0.000 2.390 120 R HA 0.477 4.817 4.340 -0.000 0.000 0.291 120 R C -0.677 175.667 176.300 0.073 0.000 1.070 120 R CA -0.567 55.523 56.100 -0.017 0.000 1.014 120 R CB 0.651 30.771 30.300 -0.299 0.000 1.007 120 R HN 0.684 nan 8.270 nan 0.000 0.466 121 F N 2.846 122.791 119.950 -0.008 0.000 2.495 121 F HA 0.317 4.844 4.527 -0.000 0.000 0.327 121 F C -1.273 174.510 175.800 -0.027 0.000 1.103 121 F CA -1.207 56.765 58.000 -0.047 0.000 0.949 121 F CB 1.167 40.154 39.000 -0.023 0.000 1.142 121 F HN 0.425 nan 8.300 nan 0.000 0.457 122 Y N 5.484 125.194 120.300 -0.984 0.000 2.350 122 Y HA 0.494 5.044 4.550 -0.000 0.000 0.338 122 Y C -1.160 174.124 175.900 -1.026 0.000 0.961 122 Y CA -0.764 56.897 58.100 -0.732 0.000 1.100 122 Y CB 1.118 39.310 38.460 -0.447 0.000 1.179 122 Y HN 0.661 nan 8.280 nan 0.000 0.454 123 Q N 5.038 124.038 119.800 -1.333 0.000 2.307 123 Q HA 0.631 4.971 4.340 -0.000 0.000 0.262 123 Q C -1.174 174.300 176.000 -0.877 0.000 0.961 123 Q CA -0.571 54.722 55.803 -0.850 0.000 0.882 123 Q CB 1.636 30.170 28.738 -0.340 0.000 1.264 123 Q HN 0.791 nan 8.270 nan 0.000 0.446 124 A N 4.077 126.682 122.820 -0.358 0.000 2.981 124 A HA 0.397 4.717 4.320 -0.000 0.000 0.280 124 A C -0.064 177.472 177.584 -0.080 0.000 1.743 124 A CA -0.181 51.823 52.037 -0.056 0.000 1.430 124 A CB -0.529 18.575 19.000 0.175 0.000 1.085 124 A HN 0.717 nan 8.150 nan 0.000 0.597 125 S N 0.123 115.722 115.700 -0.169 0.000 2.641 125 S HA 0.615 5.085 4.470 -0.000 0.000 0.261 125 S C 0.579 175.111 174.600 -0.113 0.000 1.257 125 S CA 0.031 58.122 58.200 -0.182 0.000 0.983 125 S CB 1.086 64.146 63.200 -0.233 0.000 0.990 125 S HN 0.842 nan 8.310 nan 0.000 0.572 126 T N -0.845 113.578 114.554 -0.219 0.000 2.868 126 T HA 0.337 4.687 4.350 -0.000 0.000 0.306 126 T C 0.947 175.458 174.700 -0.314 0.000 1.224 126 T CA -0.216 61.798 62.100 -0.144 0.000 1.012 126 T CB 1.012 69.877 68.868 -0.006 0.000 1.221 126 T HN 0.500 nan 8.240 nan 0.000 0.499 127 S N 1.748 117.229 115.700 -0.366 0.000 2.469 127 S HA -0.056 4.414 4.470 -0.000 0.000 0.238 127 S C 1.447 175.890 174.600 -0.262 0.000 0.998 127 S CA 0.591 58.427 58.200 -0.608 0.000 0.957 127 S CB -0.310 61.926 63.200 -1.606 0.000 0.764 127 S HN 0.723 nan 8.310 nan 0.000 0.514 128 E N 1.687 121.797 120.200 -0.150 0.000 2.209 128 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 128 E C 1.771 178.315 176.600 -0.092 0.000 0.993 128 E CA 0.932 57.319 56.400 -0.022 0.000 0.819 128 E CB -0.469 29.316 29.700 0.142 0.000 0.745 128 E HN 0.682 nan 8.360 nan 0.000 0.477 129 M N -0.906 118.510 119.600 -0.307 0.000 2.279 129 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 129 M C 1.729 177.978 176.300 -0.086 0.000 1.062 129 M CA 1.186 56.251 55.300 -0.392 0.000 1.099 129 M CB -0.309 31.729 32.600 -0.937 0.000 1.394 129 M HN 0.039 nan 8.290 nan 0.000 0.426 130 F N 0.093 120.142 119.950 0.164 0.000 2.456 130 F HA 0.067 4.594 4.527 -0.000 0.000 0.298 130 F C 2.218 178.129 175.800 0.185 0.000 1.104 130 F CA 0.341 58.480 58.000 0.232 0.000 1.435 130 F CB -0.882 38.212 39.000 0.157 0.000 1.078 130 F HN 0.306 nan 8.300 nan 0.000 0.546 131 G N 1.450 110.415 108.800 0.274 0.000 2.674 131 G HA2 -0.419 3.541 3.960 -0.000 0.000 0.367 131 G HA3 -0.419 3.541 3.960 -0.000 0.000 0.367 131 G C 0.252 175.249 174.900 0.161 0.000 1.087 131 G CA 0.726 45.956 45.100 0.217 0.000 0.898 131 G HN 0.224 nan 8.290 nan 0.000 0.652 132 L N 2.471 123.740 121.223 0.077 0.000 2.448 132 L HA 0.469 4.809 4.340 -0.000 0.000 0.278 132 L C 0.973 177.802 176.870 -0.069 0.000 1.201 132 L CA -0.485 54.258 54.840 -0.163 0.000 1.036 132 L CB -0.706 40.925 42.059 -0.715 0.000 1.325 132 L HN 0.576 nan 8.230 nan 0.000 0.441 133 I N 1.571 122.166 120.570 0.041 0.000 2.906 133 I HA -0.045 4.125 4.170 -0.000 0.000 0.302 133 I C 0.802 176.937 176.117 0.031 0.000 1.220 133 I CA 0.804 62.151 61.300 0.077 0.000 1.441 133 I CB 0.248 38.278 38.000 0.051 0.000 1.336 133 I HN 0.535 nan 8.210 nan 0.000 0.565 134 Q N 5.284 125.126 119.800 0.070 0.000 2.280 134 Q HA 0.529 4.869 4.340 -0.000 0.000 0.201 134 Q C 0.025 176.029 176.000 0.008 0.000 0.890 134 Q CA 0.369 56.204 55.803 0.053 0.000 0.947 134 Q CB 0.471 29.276 28.738 0.111 0.000 1.081 134 Q HN 0.919 nan 8.270 nan 0.000 0.502 135 A N -1.019 121.787 122.820 -0.024 0.000 2.577 135 A HA 0.550 4.870 4.320 -0.000 0.000 0.297 135 A C 0.671 178.220 177.584 -0.058 0.000 1.060 135 A CA 0.116 52.124 52.037 -0.048 0.000 0.697 135 A CB 0.425 19.378 19.000 -0.078 0.000 1.281 135 A HN -0.005 nan 8.150 nan 0.000 0.402 136 E N 1.136 121.309 120.200 -0.046 0.000 2.097 136 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 136 E C 0.890 177.452 176.600 -0.062 0.000 1.000 136 E CA 1.875 58.251 56.400 -0.041 0.000 0.804 136 E CB -0.196 29.485 29.700 -0.032 0.000 0.740 136 E HN 0.678 nan 8.360 nan 0.000 0.454 137 R N 0.263 120.709 120.500 -0.089 0.000 2.360 137 R HA 0.413 4.753 4.340 -0.000 0.000 0.318 137 R C -1.079 175.107 176.300 -0.191 0.000 0.950 137 R CA -0.564 55.458 56.100 -0.130 0.000 0.837 137 R CB 1.658 31.891 30.300 -0.111 0.000 1.165 137 R HN 0.216 nan 8.270 nan 0.000 0.458 138 Q N 2.030 121.662 119.800 -0.280 0.000 2.279 138 Q HA 0.176 4.516 4.340 -0.000 0.000 0.256 138 Q C -0.461 175.303 176.000 -0.392 0.000 0.937 138 Q CA -0.229 55.261 55.803 -0.522 0.000 0.933 138 Q CB 1.083 29.171 28.738 -1.083 0.000 1.189 138 Q HN 0.521 nan 8.270 nan 0.000 0.417 139 D N -0.049 120.189 120.400 -0.270 0.000 2.727 139 D HA 0.214 4.854 4.640 -0.000 0.000 0.264 139 D C -0.009 176.344 176.300 0.087 0.000 1.101 139 D CA -0.721 53.248 54.000 -0.051 0.000 1.122 139 D CB 0.295 41.070 40.800 -0.043 0.000 1.390 139 D HN 0.198 nan 8.370 nan 0.000 0.606 140 E N -0.737 119.527 120.200 0.108 0.000 2.209 140 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 140 E C 0.951 177.568 176.600 0.028 0.000 0.993 140 E CA 1.144 57.607 56.400 0.105 0.000 0.819 140 E CB -0.251 29.458 29.700 0.016 0.000 0.745 140 E HN 0.331 nan 8.360 nan 0.000 0.477 141 N N -0.134 118.564 118.700 -0.005 0.000 2.353 141 N HA -0.001 4.739 4.740 -0.000 0.000 0.185 141 N C -0.229 175.244 175.510 -0.062 0.000 1.098 141 N CA 0.297 53.327 53.050 -0.033 0.000 0.872 141 N CB 0.370 38.844 38.487 -0.022 0.000 0.970 141 N HN 0.024 nan 8.380 nan 0.000 0.467 142 T N 3.634 118.153 114.554 -0.059 0.000 2.853 142 T HA 0.163 4.513 4.350 -0.000 0.000 0.298 142 T C -2.367 172.282 174.700 -0.085 0.000 0.978 142 T CA -0.809 61.253 62.100 -0.063 0.000 1.152 142 T CB 1.082 69.832 68.868 -0.196 0.000 0.914 142 T HN 0.016 nan 8.240 nan 0.000 0.539 143 P HA 0.128 nan 4.420 nan 0.000 0.265 143 P C -0.372 176.946 177.300 0.030 0.000 1.193 143 P CA -0.226 62.829 63.100 -0.075 0.000 0.765 143 P CB 0.254 31.983 31.700 0.048 0.000 0.823 144 F N 2.170 122.263 119.950 0.238 0.000 2.410 144 F HA 0.292 4.819 4.527 -0.000 0.000 0.334 144 F C 0.600 176.530 175.800 0.217 0.000 1.134 144 F CA 0.381 58.481 58.000 0.166 0.000 1.227 144 F CB 0.185 39.199 39.000 0.023 0.000 1.194 144 F HN 0.297 nan 8.300 nan 0.000 0.571 145 Y N 3.658 124.133 120.300 0.293 0.000 2.532 145 Y HA 0.289 4.839 4.550 -0.000 0.000 0.318 145 Y C -2.703 173.281 175.900 0.141 0.000 1.138 145 Y CA -3.083 55.129 58.100 0.187 0.000 1.306 145 Y CB 0.408 38.968 38.460 0.166 0.000 1.106 145 Y HN 0.293 nan 8.280 nan 0.000 0.588 146 P HA 0.128 nan 4.420 nan 0.000 0.267 146 P C 0.041 177.479 177.300 0.230 0.000 1.200 146 P CA 0.178 63.364 63.100 0.143 0.000 0.772 146 P CB 1.124 32.828 31.700 0.008 0.000 0.855 147 R N 0.237 120.855 120.500 0.196 0.000 2.572 147 R HA 0.233 4.573 4.340 -0.000 0.000 0.370 147 R C 0.346 176.802 176.300 0.260 0.000 1.005 147 R CA 0.054 56.312 56.100 0.263 0.000 1.146 147 R CB 0.253 30.715 30.300 0.271 0.000 1.390 147 R HN 0.697 nan 8.270 nan 0.000 0.553 148 S N -1.648 114.066 115.700 0.023 0.000 2.596 148 S HA 0.430 4.900 4.470 -0.000 0.000 0.270 148 S C -2.699 171.678 174.600 -0.371 0.000 1.155 148 S CA -1.090 56.878 58.200 -0.386 0.000 0.827 148 S CB 2.831 65.578 63.200 -0.755 0.000 1.130 148 S HN -0.303 nan 8.310 nan 0.000 0.467 149 P HA -0.036 nan 4.420 nan 0.000 0.222 149 P C 0.906 178.076 177.300 -0.218 0.000 1.147 149 P CA 0.751 63.669 63.100 -0.303 0.000 0.790 149 P CB -0.164 31.349 31.700 -0.310 0.000 0.780 150 Y N 0.433 120.512 120.300 -0.369 0.000 2.184 150 Y HA -0.015 4.535 4.550 -0.000 0.000 0.290 150 Y C 2.420 178.214 175.900 -0.177 0.000 1.129 150 Y CA 1.979 59.935 58.100 -0.238 0.000 1.144 150 Y CB -1.103 37.209 38.460 -0.247 0.000 0.995 150 Y HN -0.132 nan 8.280 nan 0.000 0.513 151 G N -0.059 108.591 108.800 -0.249 0.000 2.440 151 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 151 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 151 G C 1.641 176.377 174.900 -0.274 0.000 1.154 151 G CA 1.561 46.489 45.100 -0.287 0.000 0.767 151 G HN 0.377 nan 8.290 nan 0.000 0.552 152 V N 1.475 121.278 119.914 -0.185 0.000 2.358 152 V HA -0.090 4.030 4.120 -0.000 0.000 0.246 152 V C 3.310 179.334 176.094 -0.116 0.000 1.047 152 V CA 1.937 64.166 62.300 -0.119 0.000 1.035 152 V CB -0.884 30.891 31.823 -0.081 0.000 0.658 152 V HN 0.474 nan 8.190 nan 0.000 0.452 153 A N -0.406 122.313 122.820 -0.169 0.000 1.902 153 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 153 A C 2.294 179.797 177.584 -0.135 0.000 1.181 153 A CA 1.616 53.568 52.037 -0.142 0.000 0.623 153 A CB -0.412 18.492 19.000 -0.159 0.000 0.818 153 A HN 0.377 nan 8.150 nan 0.000 0.443 154 K N -0.712 119.492 120.400 -0.326 0.000 2.097 154 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 154 K C 1.846 178.293 176.600 -0.254 0.000 1.050 154 K CA 1.034 57.108 56.287 -0.354 0.000 0.938 154 K CB -0.688 31.430 32.500 -0.636 0.000 0.718 154 K HN 0.446 nan 8.250 nan 0.000 0.442 155 L N 0.458 121.536 121.223 -0.242 0.000 2.083 155 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 155 L C 2.263 179.164 176.870 0.053 0.000 1.083 155 L CA 1.562 56.285 54.840 -0.195 0.000 0.752 155 L CB -0.700 41.289 42.059 -0.117 0.000 0.899 155 L HN 0.186 nan 8.230 nan 0.000 0.433 156 Y N -0.195 120.083 120.300 -0.037 0.000 2.163 156 Y HA -0.079 4.471 4.550 -0.000 0.000 0.288 156 Y C 2.282 178.182 175.900 -0.001 0.000 1.136 156 Y CA 1.842 59.955 58.100 0.021 0.000 1.147 156 Y CB -0.708 37.733 38.460 -0.031 0.000 0.987 156 Y HN 0.178 nan 8.280 nan 0.000 0.509 157 G N -1.106 107.786 108.800 0.153 0.000 2.442 157 G HA2 -0.390 3.569 3.960 -0.000 0.000 0.219 157 G HA3 -0.390 3.569 3.960 -0.000 0.000 0.219 157 G C 1.383 176.225 174.900 -0.097 0.000 1.141 157 G CA 1.329 46.455 45.100 0.044 0.000 0.763 157 G HN 0.622 nan 8.290 nan 0.000 0.554 158 H N -0.963 117.950 119.070 -0.262 0.000 2.299 158 H HA -0.086 4.470 4.556 -0.000 0.000 0.302 158 H C 2.305 177.397 175.328 -0.392 0.000 1.078 158 H CA 1.840 57.640 56.048 -0.413 0.000 1.323 158 H CB -0.420 28.931 29.762 -0.686 0.000 1.381 158 H HN 0.466 nan 8.280 nan 0.000 0.498 159 W N -0.384 120.713 121.300 -0.337 0.000 2.402 159 W HA -0.055 4.605 4.660 -0.000 0.000 0.286 159 W C 2.262 178.585 176.519 -0.327 0.000 1.221 159 W CA 0.455 57.597 57.345 -0.338 0.000 1.257 159 W CB -0.073 29.280 29.460 -0.178 0.000 1.120 159 W HN 0.283 nan 8.180 nan 0.000 0.551 160 I N 0.061 120.514 120.570 -0.194 0.000 2.546 160 I HA -0.207 3.963 4.170 -0.000 0.000 0.255 160 I C 2.172 178.273 176.117 -0.028 0.000 1.163 160 I CA 1.703 62.898 61.300 -0.175 0.000 1.457 160 I CB -0.669 37.074 38.000 -0.427 0.000 1.092 160 I HN -0.203 nan 8.210 nan 0.000 0.434 161 T N -0.470 114.011 114.554 -0.121 0.000 2.737 161 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 161 T C 2.031 176.700 174.700 -0.052 0.000 1.038 161 T CA 1.701 63.767 62.100 -0.056 0.000 1.144 161 T CB -0.376 68.463 68.868 -0.048 0.000 0.866 161 T HN 0.146 nan 8.240 nan 0.000 0.434 162 V N 2.412 122.203 119.914 -0.204 0.000 2.332 162 V HA -0.199 3.921 4.120 -0.000 0.000 0.248 162 V C 2.468 178.560 176.094 -0.003 0.000 1.055 162 V CA 1.893 64.097 62.300 -0.160 0.000 1.038 162 V CB -0.739 30.919 31.823 -0.275 0.000 0.651 162 V HN 0.465 nan 8.190 nan 0.000 0.450 163 N N -0.701 118.033 118.700 0.057 0.000 2.188 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.184 163 N C 1.706 177.197 175.510 -0.032 0.000 1.018 163 N CA 1.533 54.596 53.050 0.021 0.000 0.858 163 N CB -0.296 38.205 38.487 0.024 0.000 0.989 163 N HN 0.513 nan 8.380 nan 0.000 0.426 164 Y N 0.745 121.017 120.300 -0.048 0.000 2.293 164 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 164 Y C 2.557 178.479 175.900 0.036 0.000 1.137 164 Y CA 1.038 59.179 58.100 0.070 0.000 1.202 164 Y CB -0.286 38.241 38.460 0.111 0.000 0.990 164 Y HN 0.088 nan 8.280 nan 0.000 0.537 165 R N 0.686 121.260 120.500 0.124 0.000 2.073 165 R HA -0.166 4.174 4.340 -0.000 0.000 0.234 165 R C 1.806 178.089 176.300 -0.028 0.000 1.134 165 R CA 2.045 58.173 56.100 0.047 0.000 0.952 165 R CB -0.193 30.105 30.300 -0.003 0.000 0.850 165 R HN 0.362 nan 8.270 nan 0.000 0.433 166 E N -0.335 119.821 120.200 -0.073 0.000 2.208 166 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 166 E C 1.954 178.422 176.600 -0.220 0.000 0.988 166 E CA 1.183 57.514 56.400 -0.114 0.000 0.828 166 E CB 0.222 29.872 29.700 -0.084 0.000 0.763 166 E HN 0.310 nan 8.360 nan 0.000 0.478 167 S N 0.052 115.514 115.700 -0.398 0.000 2.388 167 S HA 0.025 4.494 4.470 -0.000 0.000 0.223 167 S C 1.221 175.312 174.600 -0.848 0.000 1.034 167 S CA 0.732 58.470 58.200 -0.771 0.000 0.963 167 S CB 0.069 62.477 63.200 -1.320 0.000 0.827 167 S HN 0.214 nan 8.310 nan 0.000 0.481 168 F N 0.228 120.112 119.950 -0.109 0.000 2.706 168 F HA 0.391 4.918 4.527 -0.000 0.000 0.313 168 F C 1.579 177.360 175.800 -0.031 0.000 1.096 168 F CA -0.039 57.917 58.000 -0.074 0.000 1.219 168 F CB 0.361 39.313 39.000 -0.080 0.000 1.051 168 F HN 0.262 nan 8.300 nan 0.000 0.568 169 G N 1.753 110.595 108.800 0.069 0.000 2.179 169 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 169 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 169 G C 0.187 175.145 174.900 0.098 0.000 1.010 169 G CA -0.199 44.934 45.100 0.056 0.000 0.736 169 G HN 0.286 nan 8.290 nan 0.000 0.513 170 L N 0.418 121.733 121.223 0.153 0.000 2.456 170 L HA 0.181 4.521 4.340 -0.000 0.000 0.272 170 L C 1.268 178.227 176.870 0.148 0.000 1.189 170 L CA -0.719 54.221 54.840 0.168 0.000 0.846 170 L CB 0.543 42.731 42.059 0.215 0.000 1.111 170 L HN 0.210 nan 8.230 nan 0.000 0.475 171 H N 3.783 122.902 119.070 0.081 0.000 3.198 171 H HA 0.329 4.885 4.556 -0.000 0.000 0.255 171 H C -0.634 174.760 175.328 0.111 0.000 1.729 171 H CA -0.268 55.822 56.048 0.071 0.000 1.495 171 H CB 0.168 29.957 29.762 0.047 0.000 1.807 171 H HN 0.596 nan 8.280 nan 0.000 0.554 172 A N 3.520 126.439 122.820 0.165 0.000 2.304 172 A HA 0.547 4.867 4.320 -0.000 0.000 0.314 172 A C -0.450 177.193 177.584 0.098 0.000 1.187 172 A CA -0.627 51.559 52.037 0.249 0.000 0.810 172 A CB 0.943 20.092 19.000 0.249 0.000 1.183 172 A HN 0.512 nan 8.150 nan 0.000 0.487 173 S N 0.809 116.551 115.700 0.071 0.000 2.513 173 S HA 0.613 5.083 4.470 -0.000 0.000 0.299 173 S C -0.165 174.327 174.600 -0.180 0.000 1.087 173 S CA -0.521 57.669 58.200 -0.016 0.000 1.012 173 S CB 1.720 64.983 63.200 0.104 0.000 1.044 173 S HN 0.805 nan 8.310 nan 0.000 0.485 174 S N 1.976 117.575 115.700 -0.168 0.000 2.438 174 S HA 0.599 5.069 4.470 -0.000 0.000 0.316 174 S C 0.172 174.684 174.600 -0.147 0.000 1.084 174 S CA -0.677 57.380 58.200 -0.237 0.000 1.107 174 S CB 0.190 63.324 63.200 -0.110 0.000 0.981 174 S HN 0.881 nan 8.310 nan 0.000 0.466 175 G N 4.445 113.045 108.800 -0.333 0.000 2.350 175 G HA2 0.509 4.469 3.960 -0.000 0.000 0.306 175 G HA3 0.509 4.469 3.960 -0.000 0.000 0.306 175 G C -0.517 174.387 174.900 0.005 0.000 1.094 175 G CA -0.522 44.586 45.100 0.013 0.000 0.953 175 G HN 0.684 nan 8.290 nan 0.000 0.420 176 I N 3.613 124.219 120.570 0.060 0.000 2.241 176 I HA 0.171 4.341 4.170 -0.000 0.000 0.294 176 I C -0.223 176.008 176.117 0.190 0.000 1.145 176 I CA -0.374 60.954 61.300 0.046 0.000 1.261 176 I CB 0.560 38.612 38.000 0.088 0.000 1.475 176 I HN 0.122 nan 8.210 nan 0.000 0.533 177 L N 5.562 126.889 121.223 0.174 0.000 2.312 177 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 177 L C 0.064 177.168 176.870 0.391 0.000 1.070 177 L CA 0.086 55.108 54.840 0.304 0.000 0.805 177 L CB 0.199 42.427 42.059 0.281 0.000 1.174 177 L HN 0.162 nan 8.230 nan 0.000 0.434 178 F N 0.865 121.042 119.950 0.378 0.000 2.368 178 F HA 0.273 4.800 4.527 -0.000 0.000 0.315 178 F C 0.907 176.971 175.800 0.440 0.000 1.145 178 F CA -0.738 57.476 58.000 0.356 0.000 1.095 178 F CB 0.245 39.421 39.000 0.293 0.000 1.286 178 F HN 0.453 nan 8.300 nan 0.000 0.530 179 N N 1.247 120.164 118.700 0.362 0.000 2.292 179 N HA -0.001 4.739 4.740 -0.000 0.000 0.258 179 N C -0.885 174.803 175.510 0.296 0.000 1.261 179 N CA 0.572 53.769 53.050 0.245 0.000 0.845 179 N CB -0.273 38.312 38.487 0.165 0.000 1.064 179 N HN 0.417 nan 8.380 nan 0.000 0.471 180 H N -0.431 118.624 119.070 -0.025 0.000 2.759 180 H HA 0.516 5.072 4.556 -0.000 0.000 0.354 180 H C -0.808 174.429 175.328 -0.152 0.000 1.074 180 H CA -0.813 55.065 56.048 -0.283 0.000 1.226 180 H CB 1.262 30.521 29.762 -0.838 0.000 1.648 180 H HN 0.425 nan 8.280 nan 0.000 0.529 181 E N 1.789 121.971 120.200 -0.030 0.000 2.447 181 E HA 0.663 5.013 4.350 -0.000 0.000 0.251 181 E C -0.177 176.469 176.600 0.076 0.000 0.910 181 E CA -1.048 55.327 56.400 -0.042 0.000 0.841 181 E CB 2.106 31.766 29.700 -0.066 0.000 1.403 181 E HN 0.788 nan 8.360 nan 0.000 0.400 182 S N -2.278 113.494 115.700 0.120 0.000 2.690 182 S HA 0.181 4.651 4.470 -0.000 0.000 0.264 182 S C -2.745 171.978 174.600 0.206 0.000 1.040 182 S CA -0.816 57.558 58.200 0.289 0.000 0.869 182 S CB 0.672 64.111 63.200 0.398 0.000 1.132 182 S HN 0.153 nan 8.310 nan 0.000 0.474 183 P HA 0.212 nan 4.420 nan 0.000 0.230 183 P C 0.806 178.248 177.300 0.237 0.000 1.158 183 P CA 0.726 63.932 63.100 0.177 0.000 0.769 183 P CB -0.095 31.703 31.700 0.163 0.000 0.807 184 L N -2.117 119.244 121.223 0.229 0.000 2.640 184 L HA 0.213 4.553 4.340 -0.000 0.000 0.230 184 L C 1.076 178.039 176.870 0.155 0.000 1.123 184 L CA -0.554 54.364 54.840 0.130 0.000 0.900 184 L CB -0.228 41.739 42.059 -0.154 0.000 1.146 184 L HN -0.155 nan 8.230 nan 0.000 0.484 185 R N 2.224 122.811 120.500 0.144 0.000 2.538 185 R HA 0.148 4.488 4.340 -0.000 0.000 0.282 185 R C 0.544 176.944 176.300 0.167 0.000 1.009 185 R CA 0.033 56.172 56.100 0.065 0.000 1.063 185 R CB 0.260 30.566 30.300 0.011 0.000 0.945 185 R HN 0.150 nan 8.270 nan 0.000 0.414 186 G N 4.535 113.457 108.800 0.204 0.000 2.391 186 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.234 186 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.234 186 G C 1.042 176.089 174.900 0.245 0.000 1.284 186 G CA -0.423 44.867 45.100 0.317 0.000 0.873 186 G HN 0.812 nan 8.290 nan 0.000 0.549 187 I N 0.929 121.545 120.570 0.077 0.000 2.567 187 I HA -0.103 4.067 4.170 -0.000 0.000 0.257 187 I C 2.051 178.071 176.117 -0.160 0.000 1.184 187 I CA 1.359 62.636 61.300 -0.037 0.000 1.451 187 I CB -0.321 37.632 38.000 -0.079 0.000 1.089 187 I HN 0.744 nan 8.210 nan 0.000 0.441 188 E N 0.027 120.016 120.200 -0.352 0.000 2.106 188 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 188 E C 0.302 176.414 176.600 -0.813 0.000 0.984 188 E CA 0.655 56.528 56.400 -0.877 0.000 0.806 188 E CB -0.093 28.536 29.700 -1.784 0.000 0.750 188 E HN 0.322 nan 8.360 nan 0.000 0.458 189 F N -0.059 119.742 119.950 -0.249 0.000 2.459 189 F HA -0.034 4.493 4.527 -0.000 0.000 0.346 189 F C 1.484 177.275 175.800 -0.015 0.000 1.128 189 F CA -0.248 57.740 58.000 -0.021 0.000 1.268 189 F CB 0.527 39.538 39.000 0.018 0.000 1.161 189 F HN -0.257 nan 8.300 nan 0.000 0.583 190 V N 2.154 122.197 119.914 0.215 0.000 2.324 190 V HA -0.321 3.799 4.120 -0.000 0.000 0.250 190 V C 2.162 178.244 176.094 -0.019 0.000 1.060 190 V CA 2.866 65.223 62.300 0.095 0.000 1.042 190 V CB -0.624 31.309 31.823 0.184 0.000 0.650 190 V HN 1.081 nan 8.190 nan 0.000 0.450 191 T N -1.209 113.307 114.554 -0.064 0.000 2.701 191 T HA -0.267 4.083 4.350 -0.000 0.000 0.263 191 T C 1.964 176.572 174.700 -0.152 0.000 1.040 191 T CA 1.562 63.512 62.100 -0.249 0.000 1.147 191 T CB -0.559 68.067 68.868 -0.404 0.000 0.865 191 T HN 0.408 nan 8.240 nan 0.000 0.426 192 R N 1.789 122.254 120.500 -0.060 0.000 2.096 192 R HA 0.077 4.417 4.340 -0.000 0.000 0.235 192 R C 2.455 178.710 176.300 -0.075 0.000 1.127 192 R CA 1.765 57.839 56.100 -0.044 0.000 0.968 192 R CB -0.620 29.700 30.300 0.034 0.000 0.861 192 R HN 0.600 nan 8.270 nan 0.000 0.440 193 K N -0.457 119.900 120.400 -0.073 0.000 2.063 193 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 193 K C 1.704 178.231 176.600 -0.121 0.000 1.048 193 K CA 1.728 57.950 56.287 -0.107 0.000 0.928 193 K CB -0.055 32.367 32.500 -0.129 0.000 0.713 193 K HN 0.102 nan 8.250 nan 0.000 0.442 194 V N 1.285 121.124 119.914 -0.125 0.000 2.270 194 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 194 V C 2.560 178.513 176.094 -0.235 0.000 1.043 194 V CA 2.306 64.520 62.300 -0.143 0.000 1.014 194 V CB -0.760 30.986 31.823 -0.128 0.000 0.645 194 V HN 0.691 nan 8.190 nan 0.000 0.447 195 T N -1.502 112.919 114.554 -0.223 0.000 2.833 195 T HA -0.261 4.089 4.350 -0.000 0.000 0.269 195 T C 1.591 176.160 174.700 -0.218 0.000 1.054 195 T CA 1.894 63.848 62.100 -0.244 0.000 1.135 195 T CB -0.509 68.240 68.868 -0.199 0.000 0.869 195 T HN 0.550 nan 8.240 nan 0.000 0.466 196 D N 1.901 122.199 120.400 -0.169 0.000 2.097 196 D HA 0.041 4.681 4.640 -0.000 0.000 0.197 196 D C 2.385 178.588 176.300 -0.161 0.000 0.984 196 D CA 1.297 55.209 54.000 -0.146 0.000 0.826 196 D CB -0.582 40.148 40.800 -0.118 0.000 0.973 196 D HN 0.473 nan 8.370 nan 0.000 0.460 197 A N 0.002 122.722 122.820 -0.167 0.000 1.877 197 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 197 A C 2.523 179.954 177.584 -0.254 0.000 1.186 197 A CA 1.615 53.562 52.037 -0.149 0.000 0.620 197 A CB -0.972 17.980 19.000 -0.079 0.000 0.822 197 A HN 0.228 nan 8.150 nan 0.000 0.443 198 V N -0.106 119.540 119.914 -0.446 0.000 2.332 198 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 198 V C 3.033 178.899 176.094 -0.381 0.000 1.055 198 V CA 2.046 63.937 62.300 -0.681 0.000 1.038 198 V CB -1.198 30.116 31.823 -0.848 0.000 0.651 198 V HN 0.636 nan 8.190 nan 0.000 0.450 199 A N -0.081 122.579 122.820 -0.266 0.000 1.873 199 A HA -0.198 4.122 4.320 -0.000 0.000 0.215 199 A C 2.366 179.863 177.584 -0.146 0.000 1.186 199 A CA 1.710 53.641 52.037 -0.177 0.000 0.616 199 A CB -0.450 18.464 19.000 -0.143 0.000 0.823 199 A HN 0.515 nan 8.150 nan 0.000 0.442 200 R N -0.567 119.849 120.500 -0.140 0.000 2.092 200 R HA 0.023 4.363 4.340 -0.000 0.000 0.231 200 R C 1.963 178.200 176.300 -0.105 0.000 1.119 200 R CA 1.433 57.472 56.100 -0.102 0.000 0.970 200 R CB -0.438 29.811 30.300 -0.084 0.000 0.864 200 R HN 0.558 nan 8.270 nan 0.000 0.440 201 I N 0.780 121.257 120.570 -0.156 0.000 2.202 201 I HA -0.250 3.920 4.170 -0.000 0.000 0.242 201 I C 2.398 178.405 176.117 -0.184 0.000 1.091 201 I CA 1.084 62.264 61.300 -0.199 0.000 1.368 201 I CB -0.163 37.611 38.000 -0.378 0.000 1.058 201 I HN -0.002 nan 8.210 nan 0.000 0.410 202 K N 1.563 121.850 120.400 -0.188 0.000 2.152 202 K HA -0.088 4.232 4.320 -0.000 0.000 0.206 202 K C 1.516 178.077 176.600 -0.065 0.000 1.048 202 K CA 1.547 57.765 56.287 -0.115 0.000 0.933 202 K CB -0.309 32.126 32.500 -0.107 0.000 0.721 202 K HN 0.288 nan 8.250 nan 0.000 0.447 203 L N -0.146 121.036 121.223 -0.069 0.000 2.688 203 L HA 0.247 4.587 4.340 -0.000 0.000 0.234 203 L C 0.784 177.636 176.870 -0.030 0.000 1.192 203 L CA 0.147 54.961 54.840 -0.044 0.000 0.984 203 L CB -0.429 41.600 42.059 -0.049 0.000 1.232 203 L HN 0.468 nan 8.230 nan 0.000 0.465 204 G N 0.663 109.448 108.800 -0.025 0.000 2.296 204 G HA2 -0.433 3.527 3.960 -0.000 0.000 0.282 204 G HA3 -0.433 3.527 3.960 -0.000 0.000 0.282 204 G C 0.898 175.796 174.900 -0.003 0.000 1.014 204 G CA 0.941 46.040 45.100 -0.002 0.000 0.812 204 G HN 0.475 nan 8.290 nan 0.000 0.508 205 K N -1.310 119.079 120.400 -0.018 0.000 2.353 205 K HA 0.636 4.956 4.320 -0.000 0.000 0.195 205 K C 0.771 177.367 176.600 -0.008 0.000 1.031 205 K CA 1.416 57.693 56.287 -0.016 0.000 1.079 205 K CB 0.452 32.934 32.500 -0.030 0.000 0.857 205 K HN 0.797 nan 8.250 nan 0.000 0.535 206 Q N -0.882 118.916 119.800 -0.005 0.000 2.377 206 Q HA 0.247 4.587 4.340 -0.000 0.000 0.279 206 Q C -0.528 175.505 176.000 0.056 0.000 1.049 206 Q CA -0.533 55.280 55.803 0.017 0.000 0.825 206 Q CB 1.931 30.666 28.738 -0.006 0.000 1.401 206 Q HN 0.128 nan 8.270 nan 0.000 0.404 207 Q N 0.754 120.617 119.800 0.104 0.000 2.392 207 Q HA 0.133 4.473 4.340 -0.000 0.000 0.219 207 Q C -0.463 175.718 176.000 0.301 0.000 0.895 207 Q CA 0.770 56.686 55.803 0.189 0.000 0.929 207 Q CB 0.985 29.806 28.738 0.138 0.000 1.077 207 Q HN 0.737 nan 8.270 nan 0.000 0.532 208 E N -0.173 120.161 120.200 0.223 0.000 2.449 208 E HA 0.585 4.935 4.350 -0.000 0.000 0.278 208 E C -1.375 175.352 176.600 0.212 0.000 0.992 208 E CA -1.061 55.497 56.400 0.263 0.000 0.807 208 E CB 1.562 31.372 29.700 0.184 0.000 1.350 208 E HN -0.078 nan 8.360 nan 0.000 0.462 209 L N 0.638 122.005 121.223 0.240 0.000 2.376 209 L HA 0.508 4.848 4.340 -0.000 0.000 0.275 209 L C -1.285 175.666 176.870 0.135 0.000 0.987 209 L CA -0.482 54.471 54.840 0.189 0.000 0.828 209 L CB 1.579 43.830 42.059 0.320 0.000 1.249 209 L HN 0.574 nan 8.230 nan 0.000 0.409 210 R N 6.091 126.628 120.500 0.063 0.000 2.265 210 R HA 0.693 5.033 4.340 -0.000 0.000 0.328 210 R C -1.124 175.103 176.300 -0.122 0.000 0.969 210 R CA -0.535 55.609 56.100 0.072 0.000 0.832 210 R CB 1.136 31.558 30.300 0.204 0.000 1.139 210 R HN 0.638 nan 8.270 nan 0.000 0.457 211 L N 0.561 121.784 121.223 -0.001 0.000 2.279 211 L HA 0.605 4.945 4.340 -0.000 0.000 0.262 211 L C 1.041 177.975 176.870 0.106 0.000 1.019 211 L CA -0.778 54.016 54.840 -0.077 0.000 0.823 211 L CB 1.953 43.999 42.059 -0.021 0.000 1.358 211 L HN 0.699 nan 8.230 nan 0.000 0.432 212 G N -0.389 108.421 108.800 0.016 0.000 3.226 212 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.190 212 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.190 212 G C -0.107 174.404 174.900 -0.648 0.000 1.988 212 G CA -0.079 44.901 45.100 -0.201 0.000 0.859 212 G HN 0.545 nan 8.290 nan 0.000 0.631 213 N N 0.880 118.981 118.700 -0.999 0.000 2.402 213 N HA 0.160 4.900 4.740 -0.000 0.000 0.259 213 N C 1.055 176.462 175.510 -0.172 0.000 1.167 213 N CA 0.118 52.796 53.050 -0.621 0.000 0.949 213 N CB 1.286 39.469 38.487 -0.507 0.000 1.212 213 N HN 0.273 nan 8.380 nan 0.000 0.493 214 V N -0.269 119.619 119.914 -0.042 0.000 3.623 214 V HA 0.203 4.323 4.120 -0.000 0.000 0.271 214 V C 0.593 176.722 176.094 0.057 0.000 1.248 214 V CA 0.593 62.912 62.300 0.031 0.000 1.156 214 V CB -0.083 31.774 31.823 0.056 0.000 0.870 214 V HN 0.396 nan 8.190 nan 0.000 0.453 215 D N 1.724 122.155 120.400 0.051 0.000 2.348 215 D HA 0.263 4.903 4.640 -0.000 0.000 0.211 215 D C 1.288 177.620 176.300 0.053 0.000 0.998 215 D CA 0.920 54.958 54.000 0.063 0.000 0.873 215 D CB 0.428 41.273 40.800 0.075 0.000 0.925 215 D HN 0.621 nan 8.370 nan 0.000 0.524 216 A N 1.291 124.136 122.820 0.043 0.000 2.546 216 A HA 0.057 4.377 4.320 -0.000 0.000 0.243 216 A C 0.399 177.993 177.584 0.017 0.000 1.063 216 A CA 0.376 52.432 52.037 0.033 0.000 0.757 216 A CB 0.203 19.225 19.000 0.036 0.000 0.991 216 A HN -0.062 nan 8.150 nan 0.000 0.503 217 K N 2.413 122.796 120.400 -0.027 0.000 2.235 217 K HA 0.501 4.821 4.320 -0.000 0.000 0.266 217 K C -0.488 175.970 176.600 -0.236 0.000 0.980 217 K CA -0.665 55.568 56.287 -0.089 0.000 0.849 217 K CB 1.335 33.814 32.500 -0.035 0.000 1.098 217 K HN 0.613 nan 8.250 nan 0.000 0.445 218 R N 1.600 121.761 120.500 -0.565 0.000 2.750 218 R HA 0.191 4.531 4.340 -0.000 0.000 0.281 218 R C -1.089 174.786 176.300 -0.708 0.000 0.972 218 R CA -0.864 54.722 56.100 -0.855 0.000 0.912 218 R CB 1.654 30.906 30.300 -1.747 0.000 1.187 218 R HN 0.652 nan 8.270 nan 0.000 0.464 219 D N 2.311 122.528 120.400 -0.305 0.000 2.411 219 D HA 0.119 4.759 4.640 -0.000 0.000 0.225 219 D C -0.695 175.628 176.300 0.039 0.000 1.156 219 D CA -0.123 53.861 54.000 -0.026 0.000 0.874 219 D CB 0.476 41.347 40.800 0.119 0.000 1.034 219 D HN 0.251 nan 8.370 nan 0.000 0.502 220 W N 3.350 124.765 121.300 0.192 0.000 2.391 220 W HA 0.556 5.216 4.660 -0.000 0.000 0.311 220 W C 0.457 177.065 176.519 0.150 0.000 1.087 220 W CA -0.931 56.505 57.345 0.151 0.000 1.209 220 W CB 1.933 31.448 29.460 0.092 0.000 1.273 220 W HN 0.368 nan 8.180 nan 0.000 0.482 221 G N 1.927 110.911 108.800 0.306 0.000 2.788 221 G HA2 0.590 4.550 3.960 -0.000 0.000 0.293 221 G HA3 0.590 4.550 3.960 -0.000 0.000 0.293 221 G C -2.076 172.803 174.900 -0.036 0.000 1.305 221 G CA -0.741 44.453 45.100 0.157 0.000 1.005 221 G HN 0.205 nan 8.290 nan 0.000 0.496 222 F N 1.357 121.209 119.950 -0.163 0.000 2.410 222 F HA 0.579 5.106 4.527 -0.000 0.000 0.349 222 F C 1.244 176.866 175.800 -0.296 0.000 1.117 222 F CA -1.041 56.848 58.000 -0.186 0.000 1.104 222 F CB 1.557 40.502 39.000 -0.091 0.000 1.122 222 F HN 0.563 nan 8.300 nan 0.000 0.483 223 A N 4.949 127.320 122.820 -0.749 0.000 1.948 223 A HA -0.107 4.213 4.320 -0.000 0.000 0.220 223 A C 2.280 179.192 177.584 -1.120 0.000 1.177 223 A CA 2.016 53.621 52.037 -0.720 0.000 0.636 223 A CB -1.613 17.106 19.000 -0.468 0.000 0.815 223 A HN 1.026 nan 8.150 nan 0.000 0.449 224 G N -0.359 107.021 108.800 -2.365 0.000 2.440 224 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 224 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 224 G C 1.134 175.720 174.900 -0.523 0.000 1.154 224 G CA 1.329 45.490 45.100 -1.565 0.000 0.767 224 G HN 0.491 nan 8.290 nan 0.000 0.552 225 D N -0.344 119.908 120.400 -0.248 0.000 2.117 225 D HA -0.058 4.582 4.640 -0.000 0.000 0.198 225 D C 2.159 178.749 176.300 0.483 0.000 0.982 225 D CA 0.684 54.865 54.000 0.301 0.000 0.828 225 D CB -0.325 40.806 40.800 0.552 0.000 0.967 225 D HN 0.339 nan 8.370 nan 0.000 0.464 226 Y N 0.959 121.224 120.300 -0.059 0.000 2.242 226 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 226 Y C 2.504 178.179 175.900 -0.375 0.000 1.137 226 Y CA 0.405 58.321 58.100 -0.306 0.000 1.181 226 Y CB -1.147 36.959 38.460 -0.591 0.000 0.989 226 Y HN -0.076 nan 8.280 nan 0.000 0.527 227 V N -1.815 118.006 119.914 -0.155 0.000 2.720 227 V HA -0.201 3.919 4.120 -0.000 0.000 0.256 227 V C 1.654 177.649 176.094 -0.166 0.000 1.082 227 V CA 1.769 63.938 62.300 -0.219 0.000 1.101 227 V CB -0.695 31.007 31.823 -0.202 0.000 0.693 227 V HN 0.360 nan 8.190 nan 0.000 0.479 228 E N 1.630 121.807 120.200 -0.039 0.000 2.072 228 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 228 E C 2.435 179.075 176.600 0.067 0.000 0.985 228 E CA 1.332 57.793 56.400 0.102 0.000 0.801 228 E CB -0.389 29.468 29.700 0.262 0.000 0.750 228 E HN 0.715 nan 8.360 nan 0.000 0.452 229 A N 1.370 124.038 122.820 -0.255 0.000 1.933 229 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 229 A C 2.198 179.588 177.584 -0.324 0.000 1.175 229 A CA 1.434 53.153 52.037 -0.530 0.000 0.628 229 A CB -0.493 17.747 19.000 -1.267 0.000 0.814 229 A HN 0.130 nan 8.150 nan 0.000 0.444 230 M N -2.545 116.841 119.600 -0.358 0.000 2.067 230 M HA -0.179 4.301 4.480 -0.000 0.000 0.260 230 M C 2.180 178.422 176.300 -0.096 0.000 1.069 230 M CA 2.060 57.064 55.300 -0.493 0.000 1.117 230 M CB -0.502 31.595 32.600 -0.838 0.000 1.334 230 M HN 0.721 nan 8.290 nan 0.000 0.407 231 W N 1.523 122.711 121.300 -0.186 0.000 2.355 231 W HA -0.155 4.505 4.660 -0.000 0.000 0.309 231 W C 1.839 178.357 176.519 -0.001 0.000 1.206 231 W CA 1.429 58.750 57.345 -0.039 0.000 1.284 231 W CB -0.397 28.982 29.460 -0.136 0.000 1.145 231 W HN 0.050 nan 8.180 nan 0.000 0.502 232 L N 0.132 121.310 121.223 -0.074 0.000 2.079 232 L HA -0.304 4.036 4.340 -0.000 0.000 0.210 232 L C 2.597 179.278 176.870 -0.315 0.000 1.081 232 L CA 1.734 56.414 54.840 -0.266 0.000 0.752 232 L CB -0.788 41.241 42.059 -0.049 0.000 0.896 232 L HN 0.075 nan 8.230 nan 0.000 0.433 233 M N -1.043 118.419 119.600 -0.230 0.000 2.117 233 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 233 M C 1.804 178.080 176.300 -0.040 0.000 1.065 233 M CA 1.573 56.787 55.300 -0.143 0.000 1.114 233 M CB -0.220 32.394 32.600 0.023 0.000 1.361 233 M HN 0.168 nan 8.290 nan 0.000 0.408 234 L N 0.068 121.223 121.223 -0.113 0.000 2.610 234 L HA -0.074 4.266 4.340 -0.000 0.000 0.232 234 L C 2.087 178.797 176.870 -0.267 0.000 1.149 234 L CA 1.056 55.812 54.840 -0.139 0.000 0.872 234 L CB -0.509 41.425 42.059 -0.209 0.000 0.992 234 L HN 0.246 nan 8.230 nan 0.000 0.447 235 Q N -1.193 118.385 119.800 -0.371 0.000 2.402 235 Q HA 0.120 4.460 4.340 -0.000 0.000 0.206 235 Q C 0.533 176.435 176.000 -0.164 0.000 0.919 235 Q CA 0.161 55.737 55.803 -0.379 0.000 0.923 235 Q CB 0.092 28.437 28.738 -0.654 0.000 1.048 235 Q HN 0.386 nan 8.270 nan 0.000 0.515 236 Q N 1.206 120.967 119.800 -0.065 0.000 2.361 236 Q HA -0.057 4.283 4.340 -0.000 0.000 0.276 236 Q C 0.559 176.672 176.000 0.188 0.000 1.022 236 Q CA 0.388 56.222 55.803 0.052 0.000 0.898 236 Q CB 0.805 29.597 28.738 0.090 0.000 1.246 236 Q HN 0.177 nan 8.270 nan 0.000 0.410 237 D N 1.922 122.401 120.400 0.130 0.000 2.117 237 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 237 D C -0.057 176.363 176.300 0.200 0.000 0.982 237 D CA 1.632 55.726 54.000 0.157 0.000 0.828 237 D CB 0.399 41.244 40.800 0.075 0.000 0.967 237 D HN 0.456 nan 8.370 nan 0.000 0.464 238 K N -0.082 120.365 120.400 0.077 0.000 2.293 238 K HA 0.781 5.101 4.320 -0.000 0.000 0.267 238 K C -0.052 176.442 176.600 -0.178 0.000 1.010 238 K CA -0.181 56.069 56.287 -0.061 0.000 0.875 238 K CB 0.778 33.265 32.500 -0.022 0.000 1.106 238 K HN 0.336 nan 8.250 nan 0.000 0.450 239 A N 2.025 124.515 122.820 -0.549 0.000 2.466 239 A HA 0.522 4.842 4.320 -0.000 0.000 0.238 239 A C 0.081 177.578 177.584 -0.146 0.000 1.074 239 A CA 0.528 52.289 52.037 -0.460 0.000 0.774 239 A CB 0.192 18.838 19.000 -0.590 0.000 1.015 239 A HN 0.924 nan 8.150 nan 0.000 0.498 240 D N -1.105 119.282 120.400 -0.022 0.000 2.738 240 D HA 0.332 4.972 4.640 -0.000 0.000 0.308 240 D C -1.934 174.280 176.300 -0.144 0.000 1.311 240 D CA -0.400 53.528 54.000 -0.121 0.000 0.799 240 D CB 1.210 41.887 40.800 -0.205 0.000 1.332 240 D HN 0.467 nan 8.370 nan 0.000 0.441 241 D N 0.291 120.467 120.400 -0.373 0.000 2.248 241 D HA 0.472 5.112 4.640 -0.000 0.000 0.246 241 D C -0.771 175.226 176.300 -0.506 0.000 1.027 241 D CA -0.050 53.808 54.000 -0.236 0.000 0.853 241 D CB 1.363 42.112 40.800 -0.086 0.000 1.243 241 D HN 0.241 nan 8.370 nan 0.000 0.462 242 Y N -0.578 119.739 120.300 0.029 0.000 2.492 242 Y HA 0.320 4.870 4.550 -0.000 0.000 0.346 242 Y C -0.014 175.918 175.900 0.053 0.000 0.997 242 Y CA -1.132 56.989 58.100 0.034 0.000 1.025 242 Y CB 1.681 40.139 38.460 -0.003 0.000 1.263 242 Y HN 0.021 nan 8.280 nan 0.000 0.454 243 V N 3.770 123.825 119.914 0.236 0.000 2.498 243 V HA 0.431 4.551 4.120 -0.000 0.000 0.279 243 V C -0.526 175.632 176.094 0.106 0.000 1.048 243 V CA -0.560 61.896 62.300 0.260 0.000 0.967 243 V CB 1.322 33.319 31.823 0.289 0.000 0.988 243 V HN 0.556 nan 8.190 nan 0.000 0.473 244 V N 4.945 124.877 119.914 0.030 0.000 2.443 244 V HA 0.908 5.028 4.120 -0.000 0.000 0.293 244 V C 0.121 176.100 176.094 -0.191 0.000 1.021 244 V CA 0.026 62.084 62.300 -0.404 0.000 0.848 244 V CB 1.137 32.442 31.823 -0.864 0.000 0.998 244 V HN 1.096 nan 8.190 nan 0.000 0.424 245 A N 3.383 126.156 122.820 -0.079 0.000 2.557 245 A HA 0.759 5.079 4.320 -0.000 0.000 0.292 245 A C 0.605 178.335 177.584 0.244 0.000 1.139 245 A CA 0.294 52.397 52.037 0.109 0.000 0.665 245 A CB 1.427 20.185 19.000 -0.403 0.000 1.285 245 A HN 0.830 nan 8.150 nan 0.000 0.433 246 T N -3.262 111.436 114.554 0.240 0.000 3.037 246 T HA 0.431 4.781 4.350 -0.000 0.000 0.252 246 T C 1.507 176.237 174.700 0.050 0.000 1.073 246 T CA 1.320 63.532 62.100 0.188 0.000 1.091 246 T CB 0.137 69.144 68.868 0.232 0.000 0.935 246 T HN 2.701 nan 8.240 nan 0.000 0.488 247 G N 0.658 109.437 108.800 -0.036 0.000 2.148 247 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.254 247 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.254 247 G C -0.022 174.857 174.900 -0.035 0.000 0.981 247 G CA 0.078 45.130 45.100 -0.080 0.000 0.670 247 G HN 0.807 nan 8.290 nan 0.000 0.528 248 V N 0.282 120.200 119.914 0.007 0.000 2.531 248 V HA 0.772 4.892 4.120 -0.000 0.000 0.301 248 V C 0.220 176.338 176.094 0.040 0.000 1.034 248 V CA 0.027 62.347 62.300 0.033 0.000 0.865 248 V CB 1.919 33.783 31.823 0.068 0.000 0.995 248 V HN 0.372 nan 8.190 nan 0.000 0.424 249 T N 3.432 117.998 114.554 0.021 0.000 2.855 249 T HA 0.730 5.080 4.350 -0.000 0.000 0.281 249 T C -0.471 174.249 174.700 0.033 0.000 1.007 249 T CA -0.104 61.992 62.100 -0.006 0.000 1.009 249 T CB 1.351 70.201 68.868 -0.030 0.000 0.983 249 T HN 0.797 nan 8.240 nan 0.000 0.455 250 T N 2.463 117.036 114.554 0.031 0.000 2.909 250 T HA 0.521 4.871 4.350 -0.000 0.000 0.299 250 T C -0.041 174.753 174.700 0.157 0.000 1.073 250 T CA -0.896 61.296 62.100 0.154 0.000 0.999 250 T CB 1.570 70.643 68.868 0.342 0.000 1.098 250 T HN 0.816 nan 8.240 nan 0.000 0.477 251 T N -0.455 114.196 114.554 0.162 0.000 2.860 251 T HA 0.271 4.621 4.350 -0.000 0.000 0.299 251 T C 1.560 176.437 174.700 0.295 0.000 1.045 251 T CA -0.641 61.552 62.100 0.156 0.000 1.071 251 T CB 0.554 69.481 68.868 0.098 0.000 0.985 251 T HN 0.249 nan 8.240 nan 0.000 0.537 252 V N 1.784 121.873 119.914 0.291 0.000 2.407 252 V HA -0.138 3.982 4.120 -0.000 0.000 0.248 252 V C 2.968 179.122 176.094 0.099 0.000 1.055 252 V CA 2.166 64.657 62.300 0.318 0.000 1.049 252 V CB -1.030 30.928 31.823 0.225 0.000 0.662 252 V HN 0.963 nan 8.190 nan 0.000 0.455 253 R N 0.280 120.801 120.500 0.036 0.000 2.080 253 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 253 R C 2.049 178.214 176.300 -0.224 0.000 1.137 253 R CA 2.389 58.417 56.100 -0.120 0.000 0.943 253 R CB -0.448 29.817 30.300 -0.058 0.000 0.846 253 R HN 0.470 nan 8.270 nan 0.000 0.431 254 D N 0.383 120.744 120.400 -0.067 0.000 2.117 254 D HA -0.214 4.426 4.640 -0.000 0.000 0.197 254 D C 1.843 178.124 176.300 -0.032 0.000 0.987 254 D CA 1.221 55.196 54.000 -0.042 0.000 0.829 254 D CB -0.288 40.543 40.800 0.051 0.000 0.961 254 D HN 0.270 nan 8.370 nan 0.000 0.460 255 M N 0.578 120.185 119.600 0.012 0.000 2.117 255 M HA -0.155 4.325 4.480 -0.000 0.000 0.262 255 M C 2.295 178.527 176.300 -0.113 0.000 1.065 255 M CA 1.256 56.505 55.300 -0.086 0.000 1.114 255 M CB -0.841 31.580 32.600 -0.297 0.000 1.361 255 M HN 0.171 nan 8.290 nan 0.000 0.408 256 C N 0.914 120.152 119.300 -0.102 0.000 2.429 256 C HA -0.177 4.283 4.460 -0.000 0.000 0.277 256 C C 2.826 177.857 174.990 0.069 0.000 1.262 256 C CA 1.658 60.664 59.018 -0.019 0.000 1.733 256 C CB -1.058 26.650 27.740 -0.053 0.000 2.010 256 C HN 0.728 nan 8.230 nan 0.000 0.483 257 Q N -0.067 119.624 119.800 -0.183 0.000 2.079 257 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 257 Q C 2.129 178.219 176.000 0.150 0.000 0.974 257 Q CA 1.931 57.722 55.803 -0.020 0.000 0.840 257 Q CB -0.196 28.478 28.738 -0.107 0.000 0.898 257 Q HN 0.760 nan 8.270 nan 0.000 0.430 258 I N 0.714 121.322 120.570 0.063 0.000 2.208 258 I HA -0.293 3.877 4.170 -0.000 0.000 0.245 258 I C 2.468 178.630 176.117 0.075 0.000 1.097 258 I CA 1.028 62.369 61.300 0.068 0.000 1.363 258 I CB -0.473 37.538 38.000 0.018 0.000 1.051 258 I HN 0.273 nan 8.210 nan 0.000 0.413 259 A N 0.827 123.657 122.820 0.016 0.000 1.858 259 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 259 A C 2.120 179.674 177.584 -0.051 0.000 1.190 259 A CA 1.588 53.576 52.037 -0.081 0.000 0.617 259 A CB -1.061 17.812 19.000 -0.211 0.000 0.827 259 A HN 0.322 nan 8.150 nan 0.000 0.443 260 F N 0.324 120.306 119.950 0.052 0.000 2.134 260 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 260 F C 2.497 178.359 175.800 0.102 0.000 1.097 260 F CA 1.743 59.795 58.000 0.087 0.000 1.264 260 F CB -0.277 38.836 39.000 0.188 0.000 1.001 260 F HN 0.305 nan 8.300 nan 0.000 0.479 261 E N -1.105 119.271 120.200 0.295 0.000 2.153 261 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 261 E C 2.010 178.681 176.600 0.118 0.000 0.988 261 E CA 0.990 57.504 56.400 0.190 0.000 0.811 261 E CB -0.458 29.336 29.700 0.157 0.000 0.746 261 E HN 0.481 nan 8.360 nan 0.000 0.466 262 H N 0.681 119.773 119.070 0.037 0.000 2.518 262 H HA -0.067 4.489 4.556 -0.000 0.000 0.289 262 H C 1.441 176.762 175.328 -0.011 0.000 1.051 262 H CA 1.435 57.480 56.048 -0.004 0.000 1.280 262 H CB 0.446 30.183 29.762 -0.041 0.000 1.380 262 H HN 0.103 nan 8.280 nan 0.000 0.566 263 V N -3.492 116.469 119.914 0.078 0.000 3.085 263 V HA 0.438 4.558 4.120 -0.000 0.000 0.345 263 V C 1.228 177.349 176.094 0.045 0.000 1.397 263 V CA 0.190 62.511 62.300 0.036 0.000 1.165 263 V CB 0.047 31.875 31.823 0.009 0.000 1.153 263 V HN 0.382 nan 8.190 nan 0.000 0.495 264 G N 1.152 109.983 108.800 0.052 0.000 2.249 264 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.273 264 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.273 264 G C -0.218 174.761 174.900 0.132 0.000 1.036 264 G CA 0.969 46.112 45.100 0.070 0.000 0.824 264 G HN 0.632 nan 8.290 nan 0.000 0.504 265 L N -0.640 120.711 121.223 0.213 0.000 2.319 265 L HA 0.570 4.910 4.340 -0.000 0.000 0.267 265 L C -0.401 176.671 176.870 0.337 0.000 1.011 265 L CA -1.155 53.881 54.840 0.326 0.000 0.818 265 L CB 1.750 44.075 42.059 0.444 0.000 1.316 265 L HN 0.068 nan 8.230 nan 0.000 0.432 266 D N 0.389 120.949 120.400 0.267 0.000 2.428 266 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 266 D C 0.725 176.961 176.300 -0.107 0.000 1.123 266 D CA -0.378 53.657 54.000 0.058 0.000 0.869 266 D CB 0.822 41.576 40.800 -0.077 0.000 1.032 266 D HN 0.423 nan 8.370 nan 0.000 0.506 267 Y N 3.751 123.892 120.300 -0.265 0.000 2.228 267 Y HA -0.231 4.318 4.550 -0.000 0.000 0.285 267 Y C 1.611 177.234 175.900 -0.460 0.000 1.178 267 Y CA 1.266 58.841 58.100 -0.876 0.000 1.202 267 Y CB -0.398 37.762 38.460 -0.501 0.000 0.974 267 Y HN 0.269 nan 8.280 nan 0.000 0.527 268 R N 0.566 120.397 120.500 -1.115 0.000 2.241 268 R HA -0.116 4.224 4.340 -0.000 0.000 0.224 268 R C 0.992 176.982 176.300 -0.517 0.000 1.101 268 R CA 1.212 56.818 56.100 -0.823 0.000 0.995 268 R CB -0.271 29.568 30.300 -0.768 0.000 0.870 268 R HN 0.513 nan 8.270 nan 0.000 0.463 269 D N -0.716 119.305 120.400 -0.630 0.000 2.348 269 D HA -0.029 4.611 4.640 -0.000 0.000 0.211 269 D C 0.756 176.428 176.300 -1.048 0.000 0.998 269 D CA 0.965 54.445 54.000 -0.866 0.000 0.873 269 D CB 0.272 40.375 40.800 -1.162 0.000 0.925 269 D HN 0.256 nan 8.370 nan 0.000 0.524 270 F N -0.429 119.388 119.950 -0.222 0.000 2.784 270 F HA 0.185 4.712 4.527 -0.000 0.000 0.316 270 F C 0.563 176.332 175.800 -0.052 0.000 1.026 270 F CA -0.706 57.232 58.000 -0.103 0.000 1.188 270 F CB 0.090 39.074 39.000 -0.027 0.000 0.999 270 F HN -0.215 nan 8.300 nan 0.000 0.605 271 L N 2.728 123.988 121.223 0.063 0.000 2.477 271 L HA 0.487 4.827 4.340 -0.000 0.000 0.272 271 L C 0.037 176.969 176.870 0.104 0.000 1.157 271 L CA 0.120 55.039 54.840 0.131 0.000 0.889 271 L CB -0.266 41.924 42.059 0.218 0.000 1.158 271 L HN 0.143 nan 8.230 nan 0.000 0.473 272 K N 6.085 126.563 120.400 0.129 0.000 2.376 272 K HA 0.616 4.936 4.320 -0.000 0.000 0.257 272 K C -0.903 175.794 176.600 0.162 0.000 0.939 272 K CA -0.606 55.755 56.287 0.123 0.000 0.809 272 K CB 1.220 33.792 32.500 0.119 0.000 1.121 272 K HN 0.563 nan 8.250 nan 0.000 0.425 273 I N 2.924 123.597 120.570 0.172 0.000 2.379 273 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 273 I C -0.257 176.027 176.117 0.278 0.000 1.063 273 I CA -0.468 60.978 61.300 0.243 0.000 1.351 273 I CB 0.984 39.136 38.000 0.254 0.000 1.410 273 I HN 0.744 nan 8.210 nan 0.000 0.505 274 D N 9.914 130.541 120.400 0.377 0.000 2.381 274 D HA 0.316 4.956 4.640 -0.000 0.000 0.235 274 D C -1.614 174.954 176.300 0.446 0.000 1.068 274 D CA -2.143 52.076 54.000 0.365 0.000 0.832 274 D CB 2.471 43.545 40.800 0.458 0.000 1.101 274 D HN 0.196 nan 8.370 nan 0.000 0.515 275 P HA -0.141 nan 4.420 nan 0.000 0.221 275 P C 0.993 178.400 177.300 0.179 0.000 1.145 275 P CA 0.597 63.782 63.100 0.141 0.000 0.795 275 P CB 0.242 31.854 31.700 -0.146 0.000 0.775 276 A N -1.032 121.786 122.820 -0.004 0.000 2.125 276 A HA -0.080 4.240 4.320 -0.000 0.000 0.219 276 A C 1.579 178.941 177.584 -0.371 0.000 1.156 276 A CA 0.906 52.792 52.037 -0.253 0.000 0.671 276 A CB -1.534 17.193 19.000 -0.456 0.000 0.794 276 A HN 0.189 nan 8.150 nan 0.000 0.459 277 F N -2.178 117.894 119.950 0.204 0.000 2.664 277 F HA 0.338 4.865 4.527 -0.000 0.000 0.303 277 F C 0.128 175.968 175.800 0.067 0.000 1.092 277 F CA -0.688 57.386 58.000 0.123 0.000 1.305 277 F CB 0.163 39.210 39.000 0.078 0.000 1.054 277 F HN 0.009 nan 8.300 nan 0.000 0.565 278 F N 1.249 121.249 119.950 0.083 0.000 2.410 278 F HA 0.334 4.861 4.527 -0.000 0.000 0.334 278 F C 0.997 176.755 175.800 -0.070 0.000 1.134 278 F CA -0.709 57.309 58.000 0.029 0.000 1.227 278 F CB 0.478 39.475 39.000 -0.004 0.000 1.194 278 F HN -0.250 nan 8.300 nan 0.000 0.571 279 R N 2.941 123.456 120.500 0.024 0.000 2.404 279 R HA 0.246 4.585 4.340 -0.000 0.000 0.291 279 R C -1.664 174.408 176.300 -0.381 0.000 1.025 279 R CA -1.588 54.372 56.100 -0.232 0.000 0.991 279 R CB 0.438 30.700 30.300 -0.062 0.000 1.053 279 R HN 0.334 nan 8.270 nan 0.000 0.479 280 P HA -0.105 nan 4.420 nan 0.000 0.215 280 P C -0.390 176.721 177.300 -0.314 0.000 1.153 280 P CA 1.379 64.072 63.100 -0.679 0.000 0.853 280 P CB 0.379 31.333 31.700 -1.243 0.000 0.788 281 A N -0.594 122.104 122.820 -0.203 0.000 2.411 281 A HA 0.458 4.778 4.320 -0.000 0.000 0.285 281 A C -0.672 177.038 177.584 0.210 0.000 1.129 281 A CA -0.388 51.724 52.037 0.126 0.000 0.736 281 A CB 0.805 19.994 19.000 0.315 0.000 1.186 281 A HN -0.122 nan 8.150 nan 0.000 0.445 282 E N 1.422 121.703 120.200 0.135 0.000 2.319 282 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 282 E C -0.953 175.730 176.600 0.137 0.000 1.050 282 E CA -0.183 56.301 56.400 0.139 0.000 0.878 282 E CB 1.382 31.140 29.700 0.097 0.000 1.066 282 E HN 0.339 nan 8.360 nan 0.000 0.406 283 V N 5.491 125.484 119.914 0.132 0.000 2.259 283 V HA 0.095 4.215 4.120 -0.000 0.000 0.267 283 V C 0.212 176.349 176.094 0.072 0.000 1.051 283 V CA -0.451 61.914 62.300 0.108 0.000 0.830 283 V CB 0.936 32.832 31.823 0.121 0.000 1.080 283 V HN 0.714 nan 8.190 nan 0.000 0.467 284 D N 2.453 122.886 120.400 0.056 0.000 2.104 284 D HA -0.079 4.561 4.640 -0.000 0.000 0.194 284 D C 0.656 176.972 176.300 0.026 0.000 0.994 284 D CA 1.662 55.686 54.000 0.041 0.000 0.830 284 D CB 0.451 41.272 40.800 0.035 0.000 0.959 284 D HN 0.421 nan 8.370 nan 0.000 0.452 285 V N -0.071 119.860 119.914 0.029 0.000 2.851 285 V HA 0.439 4.559 4.120 -0.000 0.000 0.307 285 V C -1.909 174.218 176.094 0.054 0.000 1.129 285 V CA -0.771 61.540 62.300 0.019 0.000 0.932 285 V CB 2.037 33.868 31.823 0.014 0.000 1.024 285 V HN -0.056 nan 8.190 nan 0.000 0.426 286 L N 6.631 127.891 121.223 0.062 0.000 2.381 286 L HA 0.693 5.033 4.340 -0.000 0.000 0.274 286 L C -1.441 175.551 176.870 0.203 0.000 0.988 286 L CA -0.736 54.225 54.840 0.203 0.000 0.824 286 L CB 1.921 44.106 42.059 0.210 0.000 1.263 286 L HN 0.621 nan 8.230 nan 0.000 0.410 287 L N 3.220 124.562 121.223 0.197 0.000 2.518 287 L HA 0.665 5.005 4.340 -0.000 0.000 0.262 287 L C -0.086 176.605 176.870 -0.298 0.000 0.982 287 L CA 0.031 54.846 54.840 -0.042 0.000 0.873 287 L CB 1.588 43.618 42.059 -0.048 0.000 1.198 287 L HN 0.521 nan 8.230 nan 0.000 0.427 288 G N 2.120 110.387 108.800 -0.888 0.000 2.476 288 G HA2 0.305 4.265 3.960 -0.000 0.000 0.269 288 G HA3 0.305 4.265 3.960 -0.000 0.000 0.269 288 G C -0.662 173.917 174.900 -0.536 0.000 1.195 288 G CA -0.390 43.922 45.100 -1.314 0.000 0.843 288 G HN 0.617 nan 8.290 nan 0.000 0.545 289 N N 1.151 119.638 118.700 -0.356 0.000 2.696 289 N HA 0.325 5.065 4.740 -0.000 0.000 0.246 289 N C -2.169 173.294 175.510 -0.078 0.000 1.057 289 N CA -2.281 50.669 53.050 -0.165 0.000 0.867 289 N CB 2.214 40.628 38.487 -0.122 0.000 1.141 289 N HN 0.159 nan 8.380 nan 0.000 0.517 290 P HA 0.164 nan 4.420 nan 0.000 0.244 290 P C 0.589 177.956 177.300 0.111 0.000 1.632 290 P CA -0.066 63.085 63.100 0.085 0.000 0.944 290 P CB 0.139 31.956 31.700 0.194 0.000 1.569 291 A N 1.236 124.092 122.820 0.060 0.000 1.908 291 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 291 A C 2.349 179.991 177.584 0.096 0.000 1.181 291 A CA 1.652 53.724 52.037 0.058 0.000 0.627 291 A CB -0.925 18.091 19.000 0.027 0.000 0.818 291 A HN 0.206 nan 8.150 nan 0.000 0.445 292 K N -0.407 120.065 120.400 0.120 0.000 2.025 292 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 292 K C 2.170 178.935 176.600 0.275 0.000 1.049 292 K CA 1.179 57.572 56.287 0.176 0.000 0.933 292 K CB -0.340 32.252 32.500 0.154 0.000 0.714 292 K HN 0.356 nan 8.250 nan 0.000 0.438 293 A N 1.269 124.262 122.820 0.289 0.000 1.933 293 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 293 A C 2.107 179.813 177.584 0.204 0.000 1.175 293 A CA 1.738 53.909 52.037 0.224 0.000 0.628 293 A CB -0.636 18.488 19.000 0.206 0.000 0.814 293 A HN 0.589 nan 8.150 nan 0.000 0.444 294 Q N -0.493 119.421 119.800 0.191 0.000 2.020 294 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 294 Q C 2.390 178.441 176.000 0.084 0.000 0.982 294 Q CA 1.847 57.719 55.803 0.115 0.000 0.838 294 Q CB -0.200 28.576 28.738 0.064 0.000 0.899 294 Q HN 0.688 nan 8.270 nan 0.000 0.423 295 R N -0.513 120.041 120.500 0.090 0.000 2.066 295 R HA -0.112 4.228 4.340 -0.000 0.000 0.232 295 R C 2.078 178.427 176.300 0.081 0.000 1.131 295 R CA 1.687 57.832 56.100 0.075 0.000 0.955 295 R CB -0.038 30.306 30.300 0.074 0.000 0.851 295 R HN 0.228 nan 8.270 nan 0.000 0.432 296 V N 0.742 120.727 119.914 0.119 0.000 2.426 296 V HA -0.091 4.029 4.120 -0.000 0.000 0.242 296 V C 2.113 178.220 176.094 0.022 0.000 1.036 296 V CA 1.213 63.580 62.300 0.111 0.000 1.044 296 V CB -0.156 31.830 31.823 0.272 0.000 0.688 296 V HN 0.300 nan 8.190 nan 0.000 0.462 297 L N 0.392 121.592 121.223 -0.038 0.000 2.477 297 L HA 0.354 4.694 4.340 -0.000 0.000 0.220 297 L C 1.781 178.678 176.870 0.045 0.000 1.106 297 L CA 0.861 55.655 54.840 -0.077 0.000 0.851 297 L CB -0.511 41.429 42.059 -0.198 0.000 0.994 297 L HN 0.551 nan 8.230 nan 0.000 0.462 298 G N -0.102 108.740 108.800 0.070 0.000 2.160 298 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.251 298 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.251 298 G C -0.239 174.712 174.900 0.084 0.000 1.008 298 G CA 0.076 45.214 45.100 0.064 0.000 0.724 298 G HN 0.421 nan 8.290 nan 0.000 0.514 299 W N 0.956 122.225 121.300 -0.052 0.000 2.365 299 W HA 0.717 5.377 4.660 -0.000 0.000 0.316 299 W C 0.142 176.627 176.519 -0.057 0.000 1.164 299 W CA -0.644 56.666 57.345 -0.059 0.000 1.204 299 W CB 0.832 30.231 29.460 -0.102 0.000 1.213 299 W HN 0.066 nan 8.180 nan 0.000 0.539 300 K N 6.865 126.552 120.400 -1.189 0.000 2.498 300 K HA 0.353 4.673 4.320 -0.000 0.000 0.254 300 K C -2.506 173.127 176.600 -1.612 0.000 0.933 300 K CA -1.841 53.774 56.287 -1.120 0.000 0.806 300 K CB 2.417 34.627 32.500 -0.483 0.000 1.301 300 K HN 0.211 nan 8.250 nan 0.000 0.432 301 P HA 0.096 nan 4.420 nan 0.000 0.272 301 P C -0.558 176.567 177.300 -0.292 0.000 1.223 301 P CA -0.044 62.714 63.100 -0.570 0.000 0.784 301 P CB 1.392 33.059 31.700 -0.055 0.000 0.923 302 R N 0.363 120.807 120.500 -0.093 0.000 2.412 302 R HA 0.141 4.481 4.340 -0.000 0.000 0.212 302 R C -0.067 176.241 176.300 0.013 0.000 0.878 302 R CA 0.325 56.393 56.100 -0.054 0.000 1.022 302 R CB 0.418 30.692 30.300 -0.042 0.000 1.265 302 R HN 0.396 nan 8.270 nan 0.000 0.620 303 T N 1.614 116.221 114.554 0.089 0.000 2.744 303 T HA 0.236 4.586 4.350 -0.000 0.000 0.291 303 T C -0.115 174.632 174.700 0.078 0.000 0.957 303 T CA -0.476 61.655 62.100 0.052 0.000 1.002 303 T CB 1.566 70.453 68.868 0.032 0.000 0.919 303 T HN 0.300 nan 8.240 nan 0.000 0.468 304 S N 3.143 118.864 115.700 0.034 0.000 2.645 304 S HA 0.289 4.759 4.470 -0.000 0.000 0.266 304 S C 1.399 176.033 174.600 0.056 0.000 1.258 304 S CA -0.884 57.351 58.200 0.058 0.000 0.990 304 S CB 0.509 63.730 63.200 0.035 0.000 0.967 304 S HN 0.469 nan 8.310 nan 0.000 0.556 305 L N 0.949 122.228 121.223 0.093 0.000 2.042 305 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 305 L C 2.203 179.076 176.870 0.004 0.000 1.076 305 L CA 2.319 57.209 54.840 0.083 0.000 0.749 305 L CB -1.195 40.958 42.059 0.155 0.000 0.893 305 L HN 1.000 nan 8.230 nan 0.000 0.432 306 D N -0.674 119.734 120.400 0.014 0.000 2.104 306 D HA -0.250 4.390 4.640 -0.000 0.000 0.194 306 D C 1.813 178.087 176.300 -0.042 0.000 0.994 306 D CA 1.839 55.838 54.000 -0.002 0.000 0.830 306 D CB 0.106 40.921 40.800 0.024 0.000 0.959 306 D HN 0.613 nan 8.370 nan 0.000 0.452 307 E N 0.093 120.263 120.200 -0.051 0.000 2.058 307 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 307 E C 2.240 178.737 176.600 -0.173 0.000 0.997 307 E CA 0.578 56.917 56.400 -0.102 0.000 0.801 307 E CB -0.201 29.433 29.700 -0.110 0.000 0.746 307 E HN 0.201 nan 8.360 nan 0.000 0.450 308 L N 1.383 122.510 121.223 -0.159 0.000 1.990 308 L HA -0.215 4.125 4.340 -0.000 0.000 0.213 308 L C 2.113 178.870 176.870 -0.189 0.000 1.072 308 L CA 1.673 56.402 54.840 -0.185 0.000 0.755 308 L CB -0.413 41.600 42.059 -0.077 0.000 0.889 308 L HN 0.130 nan 8.230 nan 0.000 0.432 309 I N 0.153 120.615 120.570 -0.181 0.000 2.286 309 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 309 I C 3.056 178.997 176.117 -0.294 0.000 1.115 309 I CA 1.752 62.920 61.300 -0.220 0.000 1.392 309 I CB -1.915 35.970 38.000 -0.192 0.000 1.065 309 I HN 0.398 nan 8.210 nan 0.000 0.418 310 R N 1.941 122.246 120.500 -0.326 0.000 2.080 310 R HA -0.180 4.160 4.340 -0.000 0.000 0.236 310 R C 2.217 178.241 176.300 -0.460 0.000 1.137 310 R CA 2.124 57.863 56.100 -0.602 0.000 0.943 310 R CB -1.620 28.485 30.300 -0.326 0.000 0.846 310 R HN 0.667 nan 8.270 nan 0.000 0.431 311 M N -0.850 118.579 119.600 -0.284 0.000 2.213 311 M HA 0.023 4.503 4.480 -0.000 0.000 0.263 311 M C 2.430 178.630 176.300 -0.166 0.000 1.062 311 M CA 2.312 57.486 55.300 -0.209 0.000 1.105 311 M CB -0.368 32.098 32.600 -0.223 0.000 1.385 311 M HN 0.308 nan 8.290 nan 0.000 0.417 312 M N 0.569 120.063 119.600 -0.177 0.000 2.156 312 M HA -0.079 4.401 4.480 -0.000 0.000 0.264 312 M C 2.230 178.436 176.300 -0.156 0.000 1.067 312 M CA 1.064 56.288 55.300 -0.127 0.000 1.131 312 M CB -0.304 32.219 32.600 -0.128 0.000 1.368 312 M HN 0.182 nan 8.290 nan 0.000 0.416 313 V N 0.457 120.231 119.914 -0.234 0.000 2.295 313 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 313 V C 2.376 178.369 176.094 -0.168 0.000 1.049 313 V CA 1.685 63.848 62.300 -0.229 0.000 1.024 313 V CB -0.653 30.991 31.823 -0.298 0.000 0.648 313 V HN 0.409 nan 8.190 nan 0.000 0.447 314 E N 0.341 120.432 120.200 -0.182 0.000 2.085 314 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 314 E C 2.365 178.927 176.600 -0.064 0.000 0.994 314 E CA 1.603 57.947 56.400 -0.093 0.000 0.801 314 E CB -0.596 29.055 29.700 -0.082 0.000 0.743 314 E HN 0.577 nan 8.360 nan 0.000 0.453 315 A N 1.850 124.632 122.820 -0.062 0.000 1.877 315 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 315 A C 1.897 179.460 177.584 -0.035 0.000 1.186 315 A CA 1.801 53.824 52.037 -0.024 0.000 0.620 315 A CB -0.402 18.604 19.000 0.010 0.000 0.822 315 A HN 0.090 nan 8.150 nan 0.000 0.443 316 D N -0.136 120.226 120.400 -0.062 0.000 2.178 316 D HA -0.074 4.566 4.640 -0.000 0.000 0.202 316 D C 1.971 178.222 176.300 -0.081 0.000 0.974 316 D CA 0.800 54.753 54.000 -0.079 0.000 0.841 316 D CB -0.202 40.534 40.800 -0.106 0.000 0.953 316 D HN 0.445 nan 8.370 nan 0.000 0.478 317 L N 0.607 121.784 121.223 -0.077 0.000 2.017 317 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 317 L C 3.093 179.934 176.870 -0.049 0.000 1.073 317 L CA 1.669 56.471 54.840 -0.064 0.000 0.745 317 L CB -0.487 41.543 42.059 -0.049 0.000 0.894 317 L HN 0.018 nan 8.230 nan 0.000 0.432 318 R N 0.593 121.069 120.500 -0.040 0.000 2.081 318 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 318 R C 2.189 178.467 176.300 -0.036 0.000 1.131 318 R CA 1.820 57.903 56.100 -0.029 0.000 0.960 318 R CB -1.238 29.051 30.300 -0.017 0.000 0.856 318 R HN 0.412 nan 8.270 nan 0.000 0.436 319 R N -0.170 120.303 120.500 -0.046 0.000 2.066 319 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 319 R C 2.461 178.719 176.300 -0.071 0.000 1.131 319 R CA 1.360 57.422 56.100 -0.064 0.000 0.955 319 R CB -0.519 29.728 30.300 -0.088 0.000 0.851 319 R HN 0.297 nan 8.270 nan 0.000 0.432 320 V N 1.212 121.082 119.914 -0.073 0.000 2.343 320 V HA -0.244 3.875 4.120 -0.000 0.000 0.247 320 V C 2.375 178.436 176.094 -0.056 0.000 1.051 320 V CA 2.183 64.441 62.300 -0.071 0.000 1.036 320 V CB -0.504 31.272 31.823 -0.077 0.000 0.654 320 V HN 0.470 nan 8.190 nan 0.000 0.451 321 S N 0.837 116.508 115.700 -0.048 0.000 2.447 321 S HA -0.137 4.333 4.470 -0.000 0.000 0.233 321 S C 2.072 176.651 174.600 -0.034 0.000 1.006 321 S CA 1.258 59.436 58.200 -0.037 0.000 0.957 321 S CB -0.537 62.644 63.200 -0.031 0.000 0.773 321 S HN 0.630 nan 8.310 nan 0.000 0.507 322 R N 1.357 121.835 120.500 -0.038 0.000 2.275 322 R HA 0.296 4.636 4.340 -0.000 0.000 0.199 322 R C 1.011 177.287 176.300 -0.040 0.000 0.989 322 R CA 0.814 56.893 56.100 -0.035 0.000 1.016 322 R CB -0.935 29.344 30.300 -0.035 0.000 0.918 322 R HN 0.772 nan 8.270 nan 0.000 0.473 323 E N 0.000 120.172 120.200 -0.047 0.000 2.725 323 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 323 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 323 E CB 0.000 29.666 29.700 -0.056 0.000 0.812 323 E HN 0.000 nan 8.360 nan 0.000 0.440