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 1ci8_1_A DATA FIRST_RESID 15 DATA SEQUENCE AASLAARLDA VFDQALRERR LVGAVAIVAR HGEILYRRAQ GLADREAGRP DATA SEQUENCE MREDTLFRLA SVTKPIVALA VLRLVARGEL ALDAPVTRWL PEFRPRLADG DATA SEQUENCE SEPLVTIHHL LTHTSGLGYW LLEGAGSVYD RLGISDGIDL RDFDLDENLR DATA SEQUENCE RLASAPLSFA PGSGWQYSLA LDVLGAVVER ATGQPLAAAV DALVAQPLGM DATA SEQUENCE RDCGFVSAEP ERFAVPYHDG QPEPVRMRDG IEVPLPEGHG AAVRFAPSRV DATA SEQUENCE FEPGAYPSGG AGMYGSADDV LRALEAIRAN PGFLPETLAD AARRDQAGVG DATA SEQUENCE AETRGPGWGF GYLSAVLDDP AAAGTPQHAG TLQWGGVYGH SWFVDRALGL DATA SEQUENCE SVLLLTNTAY EGMSGPLTIA LRDAVYA 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 15 A HA 0.000 nan 4.320 nan 0.000 0.244 15 A C 0.000 177.622 177.584 0.063 0.000 1.274 15 A CA 0.000 52.069 52.037 0.053 0.000 0.836 15 A CB 0.000 19.031 19.000 0.051 0.000 0.831 16 A N 0.927 123.775 122.820 0.046 0.000 1.873 16 A HA 0.025 4.345 4.320 -0.000 0.000 0.215 16 A C 2.485 180.092 177.584 0.038 0.000 1.186 16 A CA 2.935 55.000 52.037 0.047 0.000 0.616 16 A CB -0.946 18.075 19.000 0.033 0.000 0.823 16 A HN 1.561 nan 8.150 nan 0.000 0.442 17 S N -0.459 115.254 115.700 0.022 0.000 2.383 17 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 17 S C 1.916 176.512 174.600 -0.006 0.000 1.026 17 S CA 1.387 59.593 58.200 0.010 0.000 0.981 17 S CB -0.569 62.635 63.200 0.006 0.000 0.818 17 S HN 0.462 nan 8.310 nan 0.000 0.472 18 L N 2.256 123.469 121.223 -0.016 0.000 2.017 18 L HA 0.214 4.554 4.340 -0.000 0.000 0.208 18 L C 2.709 179.510 176.870 -0.115 0.000 1.073 18 L CA 1.830 56.629 54.840 -0.069 0.000 0.745 18 L CB -1.375 40.644 42.059 -0.068 0.000 0.894 18 L HN 0.364 nan 8.230 nan 0.000 0.432 19 A N -0.394 122.421 122.820 -0.008 0.000 1.908 19 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 19 A C 2.452 180.085 177.584 0.082 0.000 1.181 19 A CA 1.907 54.008 52.037 0.107 0.000 0.627 19 A CB -1.188 17.971 19.000 0.264 0.000 0.818 19 A HN 0.601 nan 8.150 nan 0.000 0.445 20 A N -0.265 122.584 122.820 0.050 0.000 1.898 20 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 20 A C 2.274 179.870 177.584 0.020 0.000 1.181 20 A CA 1.466 53.531 52.037 0.046 0.000 0.620 20 A CB -0.443 18.576 19.000 0.032 0.000 0.819 20 A HN 0.550 nan 8.150 nan 0.000 0.442 21 R N -1.143 119.344 120.500 -0.021 0.000 2.066 21 R HA -0.056 4.284 4.340 -0.000 0.000 0.232 21 R C 1.940 178.197 176.300 -0.071 0.000 1.131 21 R CA 1.208 57.283 56.100 -0.042 0.000 0.955 21 R CB -0.533 29.735 30.300 -0.054 0.000 0.851 21 R HN 0.366 nan 8.270 nan 0.000 0.432 22 L N 1.462 122.596 121.223 -0.148 0.000 2.046 22 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 22 L C 1.664 178.581 176.870 0.078 0.000 1.077 22 L CA 1.787 56.512 54.840 -0.192 0.000 0.747 22 L CB -0.842 40.847 42.059 -0.618 0.000 0.896 22 L HN 0.095 nan 8.230 nan 0.000 0.432 23 D N -0.712 119.795 120.400 0.177 0.000 2.178 23 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 23 D C 2.191 178.602 176.300 0.185 0.000 0.980 23 D CA 1.298 55.469 54.000 0.284 0.000 0.842 23 D CB 0.055 40.990 40.800 0.225 0.000 0.948 23 D HN 0.324 nan 8.370 nan 0.000 0.472 24 A N 0.384 123.257 122.820 0.089 0.000 1.898 24 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 24 A C 2.503 180.107 177.584 0.033 0.000 1.181 24 A CA 0.980 53.049 52.037 0.053 0.000 0.620 24 A CB -0.641 18.372 19.000 0.022 0.000 0.819 24 A HN 0.134 nan 8.150 nan 0.000 0.442 25 V N -1.107 118.792 119.914 -0.024 0.000 2.295 25 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 25 V C 2.320 178.367 176.094 -0.079 0.000 1.049 25 V CA 2.099 64.335 62.300 -0.106 0.000 1.024 25 V CB -1.000 30.680 31.823 -0.238 0.000 0.648 25 V HN 0.533 nan 8.190 nan 0.000 0.447 26 F N 0.671 120.644 119.950 0.039 0.000 2.134 26 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 26 F C 2.368 178.190 175.800 0.037 0.000 1.097 26 F CA 1.668 59.698 58.000 0.051 0.000 1.264 26 F CB -0.710 38.340 39.000 0.083 0.000 1.001 26 F HN 0.217 nan 8.300 nan 0.000 0.479 27 D N -0.405 120.126 120.400 0.219 0.000 2.144 27 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 27 D C 2.207 178.557 176.300 0.084 0.000 0.984 27 D CA 1.080 55.157 54.000 0.128 0.000 0.834 27 D CB -0.486 40.370 40.800 0.095 0.000 0.955 27 D HN 0.392 nan 8.370 nan 0.000 0.465 28 Q N 0.281 120.121 119.800 0.065 0.000 2.079 28 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 28 Q C 2.044 178.067 176.000 0.038 0.000 0.974 28 Q CA 1.308 57.133 55.803 0.037 0.000 0.840 28 Q CB 0.025 28.773 28.738 0.016 0.000 0.898 28 Q HN 0.174 nan 8.270 nan 0.000 0.430 29 A N 0.715 123.565 122.820 0.051 0.000 1.902 29 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 29 A C 2.032 179.651 177.584 0.060 0.000 1.181 29 A CA 1.057 53.126 52.037 0.053 0.000 0.623 29 A CB -0.607 18.435 19.000 0.069 0.000 0.818 29 A HN 0.422 nan 8.150 nan 0.000 0.443 30 L N -1.411 119.860 121.223 0.082 0.000 2.027 30 L HA -0.135 4.205 4.340 -0.000 0.000 0.206 30 L C 2.771 179.656 176.870 0.025 0.000 1.074 30 L CA 1.655 56.526 54.840 0.052 0.000 0.745 30 L CB -0.445 41.652 42.059 0.064 0.000 0.898 30 L HN 0.389 nan 8.230 nan 0.000 0.433 31 R N 0.525 121.043 120.500 0.030 0.000 2.083 31 R HA -0.186 4.154 4.340 -0.000 0.000 0.237 31 R C 1.820 178.126 176.300 0.010 0.000 1.137 31 R CA 1.648 57.759 56.100 0.018 0.000 0.951 31 R CB -0.042 30.271 30.300 0.022 0.000 0.851 31 R HN 0.393 nan 8.270 nan 0.000 0.434 32 E N -0.068 120.140 120.200 0.013 0.000 2.502 32 E HA -0.009 4.341 4.350 -0.000 0.000 0.194 32 E C -0.231 176.370 176.600 0.003 0.000 1.062 32 E CA -0.057 56.348 56.400 0.008 0.000 0.867 32 E CB 0.267 29.973 29.700 0.010 0.000 0.888 32 E HN 0.179 nan 8.360 nan 0.000 0.510 33 R N -0.143 120.355 120.500 -0.003 0.000 3.525 33 R HA -0.226 4.114 4.340 -0.000 0.000 0.276 33 R C 0.679 176.970 176.300 -0.015 0.000 1.116 33 R CA 0.461 56.550 56.100 -0.019 0.000 0.745 33 R CB -1.543 28.740 30.300 -0.027 0.000 1.185 33 R HN 0.145 nan 8.270 nan 0.000 0.454 34 R N -0.299 120.203 120.500 0.002 0.000 2.312 34 R HA 0.210 4.550 4.340 -0.000 0.000 0.205 34 R C -0.088 176.223 176.300 0.018 0.000 0.904 34 R CA 0.200 56.307 56.100 0.012 0.000 1.052 34 R CB 0.450 30.762 30.300 0.020 0.000 1.014 34 R HN 0.061 nan 8.270 nan 0.000 0.503 35 L N -0.589 120.643 121.223 0.014 0.000 2.493 35 L HA 0.237 4.577 4.340 -0.000 0.000 0.265 35 L C 0.318 177.172 176.870 -0.028 0.000 0.954 35 L CA -0.347 54.511 54.840 0.030 0.000 0.844 35 L CB 2.180 44.305 42.059 0.110 0.000 1.302 35 L HN -0.266 nan 8.230 nan 0.000 0.405 36 V N 2.767 122.631 119.914 -0.084 0.000 2.374 36 V HA 0.531 4.651 4.120 -0.000 0.000 0.241 36 V C 0.973 177.027 176.094 -0.066 0.000 1.034 36 V CA 1.134 63.321 62.300 -0.187 0.000 1.037 36 V CB -0.077 31.457 31.823 -0.482 0.000 0.682 36 V HN 0.895 nan 8.190 nan 0.000 0.463 37 G N -1.768 107.044 108.800 0.020 0.000 2.698 37 G HA2 0.767 4.727 3.960 -0.000 0.000 0.293 37 G HA3 0.767 4.727 3.960 -0.000 0.000 0.293 37 G C -1.576 173.415 174.900 0.152 0.000 1.437 37 G CA 0.133 45.269 45.100 0.061 0.000 0.852 37 G HN 0.648 nan 8.290 nan 0.000 0.499 38 A N -0.742 122.144 122.820 0.110 0.000 2.601 38 A HA 0.834 5.154 4.320 -0.000 0.000 0.291 38 A C -1.765 175.837 177.584 0.030 0.000 1.075 38 A CA -0.549 51.574 52.037 0.143 0.000 0.671 38 A CB 1.675 20.777 19.000 0.169 0.000 1.277 38 A HN 1.657 nan 8.150 nan 0.000 0.417 39 V N 0.488 120.414 119.914 0.020 0.000 2.482 39 V HA 0.737 4.857 4.120 -0.000 0.000 0.295 39 V C 0.095 176.159 176.094 -0.050 0.000 1.026 39 V CA 0.034 62.308 62.300 -0.043 0.000 0.856 39 V CB 1.271 33.119 31.823 0.042 0.000 1.001 39 V HN 1.694 nan 8.190 nan 0.000 0.424 40 A N 6.180 129.001 122.820 0.002 0.000 2.365 40 A HA 0.978 5.298 4.320 -0.000 0.000 0.318 40 A C -1.003 176.661 177.584 0.134 0.000 1.091 40 A CA -0.551 51.585 52.037 0.165 0.000 0.763 40 A CB 1.273 20.572 19.000 0.499 0.000 1.248 40 A HN 0.748 nan 8.150 nan 0.000 0.442 41 I N 1.584 122.223 120.570 0.114 0.000 2.647 41 I HA 0.496 4.666 4.170 -0.000 0.000 0.295 41 I C -1.129 175.039 176.117 0.085 0.000 1.078 41 I CA -0.960 60.389 61.300 0.082 0.000 1.048 41 I CB 2.445 40.437 38.000 -0.014 0.000 1.239 41 I HN 0.324 nan 8.210 nan 0.000 0.421 42 V N 4.487 124.467 119.914 0.110 0.000 2.525 42 V HA 0.758 4.878 4.120 -0.000 0.000 0.299 42 V C -0.242 175.857 176.094 0.009 0.000 1.034 42 V CA -0.433 61.883 62.300 0.027 0.000 0.863 42 V CB 1.637 33.480 31.823 0.034 0.000 0.999 42 V HN 0.829 nan 8.190 nan 0.000 0.423 43 A N 5.030 127.827 122.820 -0.039 0.000 2.374 43 A HA 0.942 5.262 4.320 -0.000 0.000 0.317 43 A C -0.528 177.022 177.584 -0.057 0.000 1.094 43 A CA -0.839 51.176 52.037 -0.035 0.000 0.765 43 A CB 1.672 20.646 19.000 -0.043 0.000 1.268 43 A HN 0.780 nan 8.150 nan 0.000 0.438 44 R N 1.239 121.717 120.500 -0.037 0.000 2.483 44 R HA 0.415 4.755 4.340 -0.000 0.000 0.303 44 R C -0.761 175.544 176.300 0.007 0.000 0.987 44 R CA -0.475 55.587 56.100 -0.063 0.000 0.881 44 R CB 0.272 30.556 30.300 -0.026 0.000 1.177 44 R HN 0.984 nan 8.270 nan 0.000 0.451 45 H N 2.642 121.706 119.070 -0.010 0.000 2.741 45 H HA -0.203 4.353 4.556 -0.000 0.000 0.305 45 H C 0.863 176.184 175.328 -0.011 0.000 1.169 45 H CA 1.698 57.741 56.048 -0.008 0.000 1.144 45 H CB -0.886 28.872 29.762 -0.007 0.000 1.397 45 H HN 1.134 nan 8.280 nan 0.000 0.409 46 G N -0.151 108.677 108.800 0.046 0.000 2.195 46 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.246 46 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.246 46 G C 0.107 175.016 174.900 0.016 0.000 0.984 46 G CA 0.469 45.583 45.100 0.024 0.000 0.633 46 G HN 0.612 nan 8.290 nan 0.000 0.525 47 E N 1.099 121.315 120.200 0.027 0.000 2.146 47 E HA 0.469 4.819 4.350 -0.000 0.000 0.282 47 E C 0.431 177.037 176.600 0.009 0.000 0.989 47 E CA -0.987 55.424 56.400 0.019 0.000 0.799 47 E CB 0.300 30.019 29.700 0.031 0.000 1.088 47 E HN 0.149 nan 8.360 nan 0.000 0.397 48 I N 6.756 127.327 120.570 0.003 0.000 2.505 48 I HA -0.051 4.119 4.170 -0.000 0.000 0.287 48 I C 1.104 177.235 176.117 0.024 0.000 1.104 48 I CA 0.524 61.826 61.300 0.004 0.000 1.387 48 I CB 0.402 38.396 38.000 -0.010 0.000 1.404 48 I HN 0.773 nan 8.210 nan 0.000 0.528 49 L N 6.621 127.872 121.223 0.046 0.000 2.357 49 L HA 0.116 4.456 4.340 -0.000 0.000 0.211 49 L C -0.097 176.869 176.870 0.160 0.000 1.075 49 L CA 0.391 55.276 54.840 0.075 0.000 0.830 49 L CB 0.093 42.185 42.059 0.055 0.000 0.996 49 L HN 0.500 nan 8.230 nan 0.000 0.467 50 Y N 0.226 120.518 120.300 -0.013 0.000 2.401 50 Y HA 0.473 5.023 4.550 -0.000 0.000 0.330 50 Y C -0.758 175.135 175.900 -0.011 0.000 1.071 50 Y CA -1.159 56.940 58.100 -0.001 0.000 1.049 50 Y CB 1.299 39.770 38.460 0.018 0.000 1.239 50 Y HN -0.110 nan 8.280 nan 0.000 0.437 51 R N 6.190 126.497 120.500 -0.322 0.000 2.797 51 R HA 0.491 4.831 4.340 -0.000 0.000 0.274 51 R C -1.835 174.199 176.300 -0.442 0.000 1.652 51 R CA -0.491 55.447 56.100 -0.270 0.000 1.175 51 R CB 0.619 30.833 30.300 -0.143 0.000 1.283 51 R HN 0.820 nan 8.270 nan 0.000 0.513 52 R N 2.173 122.324 120.500 -0.582 0.000 2.574 52 R HA 0.551 4.891 4.340 -0.000 0.000 0.288 52 R C -1.218 174.876 176.300 -0.344 0.000 1.004 52 R CA -0.656 55.128 56.100 -0.526 0.000 0.895 52 R CB 2.293 32.114 30.300 -0.799 0.000 1.191 52 R HN 0.588 nan 8.270 nan 0.000 0.444 53 A N 3.028 125.701 122.820 -0.244 0.000 2.327 53 A HA 0.434 4.754 4.320 -0.000 0.000 0.283 53 A C -0.643 176.803 177.584 -0.230 0.000 1.127 53 A CA -0.356 51.574 52.037 -0.179 0.000 0.810 53 A CB 0.980 19.917 19.000 -0.105 0.000 1.066 53 A HN 0.558 nan 8.150 nan 0.000 0.492 54 Q N 0.514 120.170 119.800 -0.240 0.000 2.331 54 Q HA 0.534 4.874 4.340 -0.000 0.000 0.272 54 Q C 0.360 176.290 176.000 -0.117 0.000 1.062 54 Q CA 0.231 55.885 55.803 -0.249 0.000 0.806 54 Q CB 2.020 30.430 28.738 -0.547 0.000 1.312 54 Q HN 1.877 nan 8.270 nan 0.000 0.431 55 G N 1.563 110.320 108.800 -0.072 0.000 2.528 55 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.262 55 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.262 55 G C -0.834 174.044 174.900 -0.037 0.000 1.200 55 G CA -0.384 44.691 45.100 -0.040 0.000 0.951 55 G HN 0.461 nan 8.290 nan 0.000 0.566 56 L N 0.335 121.538 121.223 -0.033 0.000 2.342 56 L HA 0.692 5.032 4.340 -0.000 0.000 0.271 56 L C 1.522 178.392 176.870 0.000 0.000 1.008 56 L CA -0.328 54.497 54.840 -0.025 0.000 0.818 56 L CB 1.928 43.965 42.059 -0.037 0.000 1.296 56 L HN 0.997 nan 8.230 nan 0.000 0.427 57 A N 0.647 123.467 122.820 -0.001 0.000 1.943 57 A HA 0.013 4.333 4.320 -0.000 0.000 0.213 57 A C 0.456 178.084 177.584 0.073 0.000 1.181 57 A CA 0.939 52.975 52.037 -0.001 0.000 0.653 57 A CB 0.027 18.989 19.000 -0.063 0.000 0.833 57 A HN 0.708 nan 8.150 nan 0.000 0.451 58 D N -1.304 119.138 120.400 0.069 0.000 2.402 58 D HA 0.239 4.879 4.640 -0.000 0.000 0.252 58 D C 0.780 177.137 176.300 0.095 0.000 1.294 58 D CA -0.483 53.586 54.000 0.115 0.000 0.948 58 D CB 0.951 41.780 40.800 0.049 0.000 1.202 58 D HN 0.213 nan 8.370 nan 0.000 0.561 59 R N 2.474 123.057 120.500 0.138 0.000 2.073 59 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 59 R C 0.914 177.243 176.300 0.049 0.000 1.134 59 R CA 1.624 57.745 56.100 0.034 0.000 0.952 59 R CB 0.317 30.571 30.300 -0.075 0.000 0.850 59 R HN 0.243 nan 8.270 nan 0.000 0.433 60 E N -0.028 120.229 120.200 0.095 0.000 2.153 60 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 60 E C 1.444 178.059 176.600 0.024 0.000 0.988 60 E CA 1.465 57.896 56.400 0.052 0.000 0.811 60 E CB -0.004 29.729 29.700 0.054 0.000 0.746 60 E HN 0.494 nan 8.360 nan 0.000 0.466 61 A N -0.552 122.282 122.820 0.023 0.000 2.308 61 A HA 0.422 4.742 4.320 -0.000 0.000 0.217 61 A C 1.646 179.230 177.584 0.000 0.000 1.216 61 A CA 0.532 52.572 52.037 0.005 0.000 0.864 61 A CB -0.281 18.718 19.000 -0.002 0.000 0.902 61 A HN 0.247 nan 8.150 nan 0.000 0.499 62 G N -0.112 108.690 108.800 0.004 0.000 2.198 62 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 62 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 62 G C 0.249 175.143 174.900 -0.010 0.000 1.025 62 G CA 0.548 45.645 45.100 -0.005 0.000 0.769 62 G HN 0.817 nan 8.290 nan 0.000 0.507 63 R N 1.200 121.696 120.500 -0.006 0.000 2.216 63 R HA 0.452 4.792 4.340 -0.000 0.000 0.332 63 R C -1.856 174.433 176.300 -0.019 0.000 1.056 63 R CA -1.608 54.483 56.100 -0.015 0.000 0.901 63 R CB 1.046 31.337 30.300 -0.015 0.000 1.039 63 R HN 0.189 nan 8.270 nan 0.000 0.456 64 P HA 0.008 nan 4.420 nan 0.000 0.274 64 P C -0.685 176.591 177.300 -0.039 0.000 1.237 64 P CA -0.509 62.572 63.100 -0.032 0.000 0.793 64 P CB 0.767 32.446 31.700 -0.034 0.000 0.977 65 M N 2.414 121.991 119.600 -0.039 0.000 2.238 65 M HA 0.171 4.651 4.480 -0.000 0.000 0.347 65 M C 0.193 176.465 176.300 -0.048 0.000 1.173 65 M CA 0.761 56.038 55.300 -0.040 0.000 1.147 65 M CB -0.212 32.380 32.600 -0.012 0.000 1.547 65 M HN 0.200 nan 8.290 nan 0.000 0.455 66 R N 2.603 123.073 120.500 -0.050 0.000 2.807 66 R HA 0.272 4.612 4.340 -0.000 0.000 0.276 66 R C 0.510 176.791 176.300 -0.033 0.000 0.979 66 R CA -0.628 55.441 56.100 -0.051 0.000 0.928 66 R CB 1.081 31.346 30.300 -0.058 0.000 1.191 66 R HN 0.694 nan 8.270 nan 0.000 0.471 67 E N 0.599 120.771 120.200 -0.045 0.000 2.209 67 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 67 E C 0.610 177.201 176.600 -0.014 0.000 0.993 67 E CA 1.718 58.094 56.400 -0.040 0.000 0.819 67 E CB 0.043 29.703 29.700 -0.066 0.000 0.745 67 E HN 0.546 nan 8.360 nan 0.000 0.477 68 D N -0.786 119.598 120.400 -0.027 0.000 2.368 68 D HA -0.004 4.636 4.640 -0.000 0.000 0.218 68 D C -0.214 176.053 176.300 -0.055 0.000 1.112 68 D CA -0.148 53.834 54.000 -0.031 0.000 0.834 68 D CB -0.423 40.352 40.800 -0.041 0.000 0.953 68 D HN -0.215 nan 8.370 nan 0.000 0.505 69 T N 1.364 115.880 114.554 -0.063 0.000 2.934 69 T HA 0.123 4.473 4.350 -0.000 0.000 0.306 69 T C 0.613 175.135 174.700 -0.295 0.000 1.042 69 T CA -0.100 61.869 62.100 -0.217 0.000 1.145 69 T CB 0.647 69.333 68.868 -0.303 0.000 0.982 69 T HN 0.123 nan 8.240 nan 0.000 0.544 70 L N 3.394 124.294 121.223 -0.540 0.000 2.371 70 L HA 0.508 4.848 4.340 -0.000 0.000 0.272 70 L C -0.468 175.878 176.870 -0.872 0.000 1.124 70 L CA -0.406 54.019 54.840 -0.691 0.000 0.816 70 L CB 0.393 41.710 42.059 -1.236 0.000 1.129 70 L HN 0.544 nan 8.230 nan 0.000 0.448 71 F N 0.732 120.486 119.950 -0.327 0.000 2.563 71 F HA 0.483 5.010 4.527 -0.000 0.000 0.316 71 F C 0.206 176.061 175.800 0.093 0.000 1.076 71 F CA -0.883 57.073 58.000 -0.073 0.000 0.921 71 F CB 1.585 40.549 39.000 -0.060 0.000 1.209 71 F HN 0.271 nan 8.300 nan 0.000 0.462 72 R N 2.962 123.639 120.500 0.295 0.000 2.296 72 R HA 0.280 4.620 4.340 -0.000 0.000 0.323 72 R C 0.687 177.218 176.300 0.385 0.000 1.067 72 R CA -0.162 56.036 56.100 0.165 0.000 0.946 72 R CB 0.385 30.429 30.300 -0.428 0.000 0.991 72 R HN 0.724 nan 8.270 nan 0.000 0.448 73 L N 2.840 124.270 121.223 0.345 0.000 2.376 73 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 73 L C 1.526 178.725 176.870 0.549 0.000 1.133 73 L CA 0.819 55.885 54.840 0.377 0.000 0.816 73 L CB -0.800 41.344 42.059 0.143 0.000 0.933 73 L HN 0.946 nan 8.230 nan 0.000 0.449 74 A N 0.212 123.349 122.820 0.528 0.000 5.483 74 A HA -0.371 3.949 4.320 -0.000 0.000 0.309 74 A C 1.562 179.388 177.584 0.403 0.000 1.898 74 A CA 1.592 53.907 52.037 0.463 0.000 0.716 74 A CB -1.776 17.491 19.000 0.444 0.000 1.309 74 A HN 0.250 nan 8.150 nan 0.000 0.380 75 S N -0.482 115.479 115.700 0.436 0.000 2.603 75 S HA 0.171 4.641 4.470 -0.000 0.000 0.229 75 S C 1.347 176.293 174.600 0.577 0.000 0.972 75 S CA 0.920 59.445 58.200 0.541 0.000 0.935 75 S CB -0.259 63.373 63.200 0.721 0.000 0.769 75 S HN 0.896 nan 8.310 nan 0.000 0.536 76 V N 1.488 121.693 119.914 0.485 0.000 3.305 76 V HA -0.074 4.046 4.120 -0.000 0.000 0.269 76 V C 2.148 178.389 176.094 0.245 0.000 1.157 76 V CA 1.360 63.904 62.300 0.407 0.000 1.157 76 V CB -1.012 30.978 31.823 0.278 0.000 0.772 76 V HN 0.478 nan 8.190 nan 0.000 0.498 77 T N -0.297 114.407 114.554 0.251 0.000 2.904 77 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 77 T C 1.953 176.773 174.700 0.200 0.000 1.059 77 T CA 1.085 63.276 62.100 0.151 0.000 1.137 77 T CB -0.093 68.864 68.868 0.148 0.000 0.879 77 T HN 0.501 nan 8.240 nan 0.000 0.467 78 K N 0.903 121.492 120.400 0.314 0.000 2.001 78 K HA -0.111 4.209 4.320 -0.000 0.000 0.214 78 K C -0.563 176.187 176.600 0.249 0.000 1.050 78 K CA 1.653 58.134 56.287 0.323 0.000 0.934 78 K CB -1.164 31.609 32.500 0.456 0.000 0.718 78 K HN 0.325 nan 8.250 nan 0.000 0.443 79 P HA -0.162 nan 4.420 nan 0.000 0.218 79 P C 1.420 178.764 177.300 0.074 0.000 1.148 79 P CA 1.449 64.634 63.100 0.142 0.000 0.822 79 P CB -0.131 31.592 31.700 0.039 0.000 0.784 80 I N -0.777 119.824 120.570 0.051 0.000 2.202 80 I HA -0.158 4.012 4.170 -0.000 0.000 0.242 80 I C 2.495 178.662 176.117 0.085 0.000 1.091 80 I CA 1.149 62.468 61.300 0.030 0.000 1.368 80 I CB -0.746 37.242 38.000 -0.020 0.000 1.058 80 I HN -0.198 nan 8.210 nan 0.000 0.410 81 V N 1.128 121.112 119.914 0.117 0.000 2.427 81 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 81 V C 2.716 178.863 176.094 0.088 0.000 1.051 81 V CA 1.777 64.155 62.300 0.129 0.000 1.048 81 V CB -0.894 31.031 31.823 0.170 0.000 0.666 81 V HN 0.463 nan 8.190 nan 0.000 0.456 82 A N -0.148 122.733 122.820 0.101 0.000 1.902 82 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 82 A C 2.213 179.842 177.584 0.074 0.000 1.181 82 A CA 1.673 53.758 52.037 0.081 0.000 0.623 82 A CB -0.512 18.568 19.000 0.133 0.000 0.818 82 A HN 0.492 nan 8.150 nan 0.000 0.443 83 L N -0.828 120.461 121.223 0.109 0.000 2.083 83 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 83 L C 3.095 180.032 176.870 0.113 0.000 1.083 83 L CA 0.959 55.892 54.840 0.155 0.000 0.752 83 L CB -0.498 41.699 42.059 0.230 0.000 0.899 83 L HN 0.460 nan 8.230 nan 0.000 0.433 84 A N -0.309 122.562 122.820 0.085 0.000 1.877 84 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 84 A C 2.322 179.890 177.584 -0.026 0.000 1.186 84 A CA 1.840 53.902 52.037 0.043 0.000 0.620 84 A CB -0.848 18.182 19.000 0.051 0.000 0.822 84 A HN 0.180 nan 8.150 nan 0.000 0.443 85 V N 0.280 120.167 119.914 -0.045 0.000 2.255 85 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 85 V C 2.581 178.605 176.094 -0.116 0.000 1.051 85 V CA 2.086 64.317 62.300 -0.115 0.000 1.018 85 V CB -0.855 30.888 31.823 -0.134 0.000 0.641 85 V HN 0.576 nan 8.190 nan 0.000 0.445 86 L N -0.696 120.484 121.223 -0.072 0.000 2.079 86 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 86 L C 2.866 179.684 176.870 -0.085 0.000 1.081 86 L CA 1.360 56.165 54.840 -0.058 0.000 0.752 86 L CB -0.625 41.443 42.059 0.015 0.000 0.896 86 L HN 0.265 nan 8.230 nan 0.000 0.433 87 R N 0.132 120.565 120.500 -0.111 0.000 2.092 87 R HA -0.075 4.264 4.340 -0.000 0.000 0.231 87 R C 2.221 178.446 176.300 -0.125 0.000 1.119 87 R CA 1.137 57.131 56.100 -0.176 0.000 0.970 87 R CB -0.593 29.581 30.300 -0.211 0.000 0.864 87 R HN 0.398 nan 8.270 nan 0.000 0.440 88 L N 0.318 121.476 121.223 -0.108 0.000 2.141 88 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 88 L C 2.451 179.269 176.870 -0.086 0.000 1.094 88 L CA 0.695 55.475 54.840 -0.100 0.000 0.763 88 L CB -0.355 41.624 42.059 -0.134 0.000 0.908 88 L HN -0.055 nan 8.230 nan 0.000 0.437 89 V N 0.091 119.949 119.914 -0.094 0.000 2.307 89 V HA -0.278 3.842 4.120 -0.000 0.000 0.245 89 V C 2.757 178.828 176.094 -0.038 0.000 1.045 89 V CA 1.791 64.053 62.300 -0.063 0.000 1.024 89 V CB -0.759 31.024 31.823 -0.068 0.000 0.651 89 V HN 0.481 nan 8.190 nan 0.000 0.449 90 A N -0.032 122.756 122.820 -0.054 0.000 1.986 90 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 90 A C 2.248 179.808 177.584 -0.041 0.000 1.171 90 A CA 1.912 53.919 52.037 -0.049 0.000 0.640 90 A CB -0.490 18.459 19.000 -0.085 0.000 0.811 90 A HN 0.574 nan 8.150 nan 0.000 0.451 91 R N -1.667 118.806 120.500 -0.045 0.000 2.310 91 R HA 0.234 4.574 4.340 -0.000 0.000 0.202 91 R C 1.280 177.577 176.300 -0.005 0.000 0.933 91 R CA 0.507 56.589 56.100 -0.029 0.000 1.054 91 R CB -0.054 30.225 30.300 -0.035 0.000 0.985 91 R HN 0.683 nan 8.270 nan 0.000 0.489 92 G N 1.164 109.966 108.800 0.002 0.000 2.148 92 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.254 92 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.254 92 G C 0.662 175.596 174.900 0.057 0.000 0.981 92 G CA 0.575 45.693 45.100 0.029 0.000 0.670 92 G HN 0.351 nan 8.290 nan 0.000 0.528 93 E N -0.645 119.578 120.200 0.040 0.000 2.158 93 E HA 0.343 4.693 4.350 -0.000 0.000 0.191 93 E C 1.381 178.059 176.600 0.130 0.000 0.982 93 E CA 0.790 57.235 56.400 0.075 0.000 0.823 93 E CB 0.048 29.756 29.700 0.012 0.000 0.766 93 E HN 0.656 nan 8.360 nan 0.000 0.468 94 L N -1.161 120.077 121.223 0.024 0.000 2.303 94 L HA 0.765 5.105 4.340 -0.000 0.000 0.256 94 L C -0.989 175.915 176.870 0.057 0.000 1.034 94 L CA -1.268 53.543 54.840 -0.047 0.000 0.832 94 L CB 2.137 43.978 42.059 -0.363 0.000 1.403 94 L HN -0.151 nan 8.230 nan 0.000 0.419 95 A N 0.477 123.367 122.820 0.116 0.000 2.455 95 A HA 0.540 4.860 4.320 -0.000 0.000 0.300 95 A C 0.292 177.914 177.584 0.064 0.000 1.040 95 A CA -0.544 51.554 52.037 0.101 0.000 0.697 95 A CB 1.373 20.462 19.000 0.150 0.000 1.265 95 A HN 0.744 nan 8.150 nan 0.000 0.407 96 L N 0.267 121.506 121.223 0.026 0.000 2.081 96 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 96 L C 1.005 177.898 176.870 0.039 0.000 1.080 96 L CA 1.480 56.329 54.840 0.014 0.000 0.754 96 L CB -0.040 42.051 42.059 0.053 0.000 0.893 96 L HN 0.723 nan 8.230 nan 0.000 0.433 97 D N -0.457 119.969 120.400 0.043 0.000 2.369 97 D HA 0.183 4.823 4.640 -0.000 0.000 0.211 97 D C 0.629 176.974 176.300 0.075 0.000 1.077 97 D CA 0.083 54.100 54.000 0.028 0.000 0.842 97 D CB 0.254 41.053 40.800 -0.001 0.000 0.947 97 D HN 0.162 nan 8.370 nan 0.000 0.509 98 A N 2.059 124.964 122.820 0.141 0.000 2.462 98 A HA 0.371 4.691 4.320 -0.000 0.000 0.243 98 A C -2.177 175.551 177.584 0.240 0.000 1.076 98 A CA -0.907 51.251 52.037 0.202 0.000 0.773 98 A CB 0.056 19.295 19.000 0.399 0.000 1.010 98 A HN -0.031 nan 8.150 nan 0.000 0.493 99 P HA 0.019 nan 4.420 nan 0.000 0.275 99 P C 0.907 178.366 177.300 0.264 0.000 1.227 99 P CA -0.140 63.061 63.100 0.168 0.000 0.781 99 P CB 1.315 33.062 31.700 0.078 0.000 0.906 100 V N 3.130 123.208 119.914 0.273 0.000 2.720 100 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 100 V C 2.189 178.460 176.094 0.295 0.000 1.082 100 V CA 2.971 65.463 62.300 0.319 0.000 1.101 100 V CB -1.487 30.467 31.823 0.219 0.000 0.693 100 V HN 0.772 nan 8.190 nan 0.000 0.479 101 T N -1.920 112.741 114.554 0.179 0.000 3.007 101 T HA -0.200 4.150 4.350 -0.000 0.000 0.270 101 T C 1.889 176.569 174.700 -0.033 0.000 1.107 101 T CA 1.244 63.400 62.100 0.094 0.000 1.118 101 T CB -0.569 68.333 68.868 0.056 0.000 0.889 101 T HN 0.592 nan 8.240 nan 0.000 0.506 102 R N -0.431 119.957 120.500 -0.186 0.000 2.152 102 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 102 R C 1.594 177.490 176.300 -0.674 0.000 1.117 102 R CA 1.445 57.182 56.100 -0.605 0.000 0.981 102 R CB -0.110 29.457 30.300 -1.220 0.000 0.870 102 R HN 0.575 nan 8.270 nan 0.000 0.451 103 W N -0.778 120.523 121.300 0.001 0.000 2.866 103 W HA 0.246 4.906 4.660 -0.000 0.000 0.258 103 W C 0.151 176.666 176.519 -0.006 0.000 1.183 103 W CA -0.231 57.108 57.345 -0.010 0.000 1.451 103 W CB 0.398 29.843 29.460 -0.026 0.000 0.959 103 W HN -0.093 nan 8.180 nan 0.000 0.622 104 L N 1.649 123.005 121.223 0.221 0.000 2.581 104 L HA 0.237 4.577 4.340 -0.000 0.000 0.241 104 L C -1.694 175.260 176.870 0.139 0.000 1.265 104 L CA -1.509 53.425 54.840 0.156 0.000 0.954 104 L CB 0.809 42.953 42.059 0.142 0.000 1.269 104 L HN -0.413 nan 8.230 nan 0.000 0.475 105 P HA -0.234 nan 4.420 nan 0.000 0.218 105 P C 1.147 178.476 177.300 0.047 0.000 1.154 105 P CA 1.520 64.642 63.100 0.037 0.000 0.872 105 P CB 0.418 32.124 31.700 0.009 0.000 0.790 106 E N -2.615 117.623 120.200 0.063 0.000 2.371 106 E HA -0.007 4.343 4.350 -0.000 0.000 0.194 106 E C 0.269 176.904 176.600 0.058 0.000 1.012 106 E CA -0.238 56.187 56.400 0.042 0.000 0.860 106 E CB -0.327 29.390 29.700 0.030 0.000 0.811 106 E HN 0.149 nan 8.360 nan 0.000 0.502 107 F N 2.170 122.111 119.950 -0.015 0.000 2.556 107 F HA 0.097 4.624 4.527 -0.000 0.000 0.344 107 F C -0.038 175.751 175.800 -0.018 0.000 1.255 107 F CA 0.255 58.243 58.000 -0.021 0.000 1.091 107 F CB -0.005 38.990 39.000 -0.008 0.000 1.325 107 F HN -0.275 nan 8.300 nan 0.000 0.627 108 R N 5.670 125.954 120.500 -0.359 0.000 2.748 108 R HA 0.258 4.598 4.340 -0.000 0.000 0.283 108 R C -2.608 173.494 176.300 -0.330 0.000 1.507 108 R CA -1.667 54.279 56.100 -0.258 0.000 1.666 108 R CB 0.395 30.620 30.300 -0.125 0.000 1.237 108 R HN 0.345 nan 8.270 nan 0.000 0.633 109 P HA 0.051 nan 4.420 nan 0.000 0.269 109 P C -0.378 176.804 177.300 -0.196 0.000 1.215 109 P CA -0.024 62.860 63.100 -0.360 0.000 0.780 109 P CB 0.759 32.234 31.700 -0.375 0.000 0.898 110 R N 1.109 121.518 120.500 -0.152 0.000 2.807 110 R HA 0.532 4.872 4.340 -0.000 0.000 0.276 110 R C -0.169 176.082 176.300 -0.082 0.000 0.979 110 R CA -1.114 54.925 56.100 -0.101 0.000 0.928 110 R CB 1.284 31.532 30.300 -0.087 0.000 1.191 110 R HN 0.375 nan 8.270 nan 0.000 0.471 111 L N 0.866 122.053 121.223 -0.060 0.000 2.475 111 L HA 0.188 4.528 4.340 -0.000 0.000 0.253 111 L C 1.669 178.517 176.870 -0.036 0.000 1.198 111 L CA 0.019 54.832 54.840 -0.045 0.000 0.814 111 L CB 0.484 42.529 42.059 -0.023 0.000 1.134 111 L HN 0.831 nan 8.230 nan 0.000 0.478 112 A N 0.394 123.199 122.820 -0.024 0.000 2.125 112 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 112 A C 1.801 179.376 177.584 -0.015 0.000 1.156 112 A CA 1.570 53.596 52.037 -0.018 0.000 0.671 112 A CB -0.684 18.312 19.000 -0.008 0.000 0.794 112 A HN 0.946 nan 8.150 nan 0.000 0.459 113 D N -1.559 118.833 120.400 -0.013 0.000 2.269 113 D HA 0.105 4.745 4.640 -0.000 0.000 0.208 113 D C 1.318 177.608 176.300 -0.016 0.000 0.963 113 D CA 1.522 55.516 54.000 -0.010 0.000 0.864 113 D CB -0.349 40.448 40.800 -0.005 0.000 0.936 113 D HN 0.770 nan 8.370 nan 0.000 0.505 114 G N 0.302 109.088 108.800 -0.024 0.000 2.218 114 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 114 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 114 G C 0.379 175.260 174.900 -0.031 0.000 0.994 114 G CA 0.445 45.527 45.100 -0.029 0.000 0.637 114 G HN 0.796 nan 8.290 nan 0.000 0.505 115 S N -0.298 115.386 115.700 -0.027 0.000 2.652 115 S HA 0.676 5.146 4.470 -0.000 0.000 0.270 115 S C -0.188 174.392 174.600 -0.034 0.000 1.243 115 S CA -0.360 57.825 58.200 -0.025 0.000 0.999 115 S CB 2.035 65.227 63.200 -0.014 0.000 0.973 115 S HN 0.305 nan 8.310 nan 0.000 0.544 116 E N 2.522 122.704 120.200 -0.031 0.000 2.070 116 E HA 0.327 4.677 4.350 -0.000 0.000 0.261 116 E C -2.059 174.532 176.600 -0.016 0.000 0.926 116 E CA -1.802 54.576 56.400 -0.036 0.000 0.760 116 E CB 0.700 30.377 29.700 -0.039 0.000 1.133 116 E HN 0.566 nan 8.360 nan 0.000 0.420 117 P HA 0.124 nan 4.420 nan 0.000 0.276 117 P C -0.269 177.048 177.300 0.029 0.000 1.252 117 P CA -0.427 62.676 63.100 0.006 0.000 0.802 117 P CB 1.200 32.894 31.700 -0.009 0.000 1.035 118 L N 0.902 122.164 121.223 0.065 0.000 2.416 118 L HA 0.199 4.539 4.340 -0.000 0.000 0.272 118 L C 0.100 177.076 176.870 0.176 0.000 1.161 118 L CA -0.478 54.432 54.840 0.116 0.000 0.845 118 L CB 0.746 42.890 42.059 0.142 0.000 1.119 118 L HN 0.111 nan 8.230 nan 0.000 0.464 119 V N 2.230 122.271 119.914 0.212 0.000 2.349 119 V HA 0.279 4.399 4.120 -0.000 0.000 0.284 119 V C 0.398 176.686 176.094 0.323 0.000 1.014 119 V CA -0.633 61.843 62.300 0.294 0.000 0.826 119 V CB 1.525 33.475 31.823 0.213 0.000 1.009 119 V HN 0.908 nan 8.190 nan 0.000 0.431 120 T N 2.126 116.924 114.554 0.406 0.000 2.862 120 T HA 0.484 4.834 4.350 -0.000 0.000 0.276 120 T C 1.265 176.030 174.700 0.109 0.000 0.974 120 T CA -0.731 61.469 62.100 0.167 0.000 0.966 120 T CB 1.247 70.104 68.868 -0.019 0.000 1.072 120 T HN 0.155 nan 8.240 nan 0.000 0.538 121 I N 0.549 121.151 120.570 0.054 0.000 2.286 121 I HA -0.107 4.063 4.170 -0.000 0.000 0.248 121 I C 2.386 178.447 176.117 -0.093 0.000 1.115 121 I CA 1.830 63.099 61.300 -0.052 0.000 1.392 121 I CB -1.797 36.136 38.000 -0.111 0.000 1.065 121 I HN 0.913 nan 8.210 nan 0.000 0.418 122 H N 0.594 119.575 119.070 -0.149 0.000 2.353 122 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 122 H C 2.363 177.698 175.328 0.011 0.000 1.090 122 H CA 2.023 58.004 56.048 -0.112 0.000 1.327 122 H CB 0.001 29.719 29.762 -0.073 0.000 1.383 122 H HN 0.278 nan 8.280 nan 0.000 0.508 123 H N 0.077 119.214 119.070 0.112 0.000 2.319 123 H HA -0.119 4.437 4.556 -0.000 0.000 0.299 123 H C 2.560 177.857 175.328 -0.052 0.000 1.092 123 H CA 1.643 57.733 56.048 0.070 0.000 1.302 123 H CB -0.355 29.480 29.762 0.120 0.000 1.373 123 H HN 0.378 nan 8.280 nan 0.000 0.497 124 L N -0.107 121.135 121.223 0.032 0.000 2.005 124 L HA -0.146 4.194 4.340 -0.000 0.000 0.207 124 L C 2.735 179.446 176.870 -0.266 0.000 1.072 124 L CA 0.743 55.509 54.840 -0.123 0.000 0.744 124 L CB -0.578 41.407 42.059 -0.123 0.000 0.895 124 L HN 0.144 nan 8.230 nan 0.000 0.433 125 L N -0.164 120.929 121.223 -0.216 0.000 2.042 125 L HA -0.216 4.124 4.340 -0.000 0.000 0.210 125 L C 2.716 179.582 176.870 -0.005 0.000 1.076 125 L CA 2.015 56.756 54.840 -0.166 0.000 0.749 125 L CB -0.856 41.030 42.059 -0.288 0.000 0.893 125 L HN 0.485 nan 8.230 nan 0.000 0.432 126 T N -5.327 109.245 114.554 0.032 0.000 3.085 126 T HA -0.098 4.252 4.350 -0.000 0.000 0.263 126 T C 0.638 175.433 174.700 0.159 0.000 1.127 126 T CA 0.163 62.408 62.100 0.243 0.000 1.103 126 T CB -0.182 68.764 68.868 0.130 0.000 0.921 126 T HN 0.389 nan 8.240 nan 0.000 0.510 127 H N 0.958 119.978 119.070 -0.084 0.000 2.886 127 H HA -0.121 4.435 4.556 -0.000 0.000 0.294 127 H C 0.671 175.814 175.328 -0.308 0.000 1.246 127 H CA 1.170 57.003 56.048 -0.358 0.000 1.142 127 H CB -2.298 26.980 29.762 -0.807 0.000 1.358 127 H HN 0.738 nan 8.280 nan 0.000 0.406 128 T N -3.955 110.647 114.554 0.080 0.000 3.132 128 T HA 0.137 4.487 4.350 -0.000 0.000 0.274 128 T C 1.731 176.586 174.700 0.259 0.000 1.011 128 T CA 0.380 62.641 62.100 0.269 0.000 0.899 128 T CB 0.257 69.335 68.868 0.349 0.000 1.089 128 T HN 0.333 nan 8.240 nan 0.000 0.543 129 S N 0.946 116.687 115.700 0.067 0.000 2.481 129 S HA 0.360 4.830 4.470 -0.000 0.000 0.231 129 S C 2.092 176.563 174.600 -0.214 0.000 0.996 129 S CA 0.770 58.932 58.200 -0.063 0.000 0.942 129 S CB -0.664 62.532 63.200 -0.005 0.000 0.768 129 S HN 1.284 nan 8.310 nan 0.000 0.520 130 G N 0.430 108.951 108.800 -0.464 0.000 2.218 130 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.216 130 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.216 130 G C 0.016 174.545 174.900 -0.618 0.000 0.994 130 G CA -0.010 44.459 45.100 -1.052 0.000 0.637 130 G HN 0.488 nan 8.290 nan 0.000 0.505 131 L N 0.454 121.486 121.223 -0.319 0.000 2.474 131 L HA 0.591 4.931 4.340 -0.000 0.000 0.259 131 L C 1.430 178.167 176.870 -0.221 0.000 1.232 131 L CA 0.546 55.293 54.840 -0.155 0.000 0.821 131 L CB 0.598 42.621 42.059 -0.060 0.000 1.108 131 L HN 0.365 nan 8.230 nan 0.000 0.495 132 G N -1.401 107.310 108.800 -0.148 0.000 3.085 132 G HA2 0.536 4.496 3.960 -0.000 0.000 0.264 132 G HA3 0.536 4.496 3.960 -0.000 0.000 0.264 132 G C -2.149 172.589 174.900 -0.270 0.000 1.206 132 G CA -0.195 44.718 45.100 -0.311 0.000 0.809 132 G HN 0.296 nan 8.290 nan 0.000 0.592 133 Y N -2.058 118.067 120.300 -0.293 0.000 2.597 133 Y HA 0.367 4.917 4.550 -0.000 0.000 0.340 133 Y C 0.246 176.122 175.900 -0.040 0.000 1.097 133 Y CA -1.288 56.795 58.100 -0.027 0.000 1.037 133 Y CB 2.040 40.470 38.460 -0.050 0.000 1.305 133 Y HN 0.705 nan 8.280 nan 0.000 0.463 134 W N 2.749 124.236 121.300 0.311 0.000 2.374 134 W HA -0.146 4.514 4.660 -0.000 0.000 0.288 134 W C 1.590 178.139 176.519 0.049 0.000 1.218 134 W CA 1.979 59.440 57.345 0.193 0.000 1.245 134 W CB 0.164 29.759 29.460 0.226 0.000 1.126 134 W HN 0.604 nan 8.180 nan 0.000 0.545 135 L N -0.531 120.931 121.223 0.399 0.000 2.191 135 L HA -0.096 4.244 4.340 -0.000 0.000 0.212 135 L C 2.011 178.871 176.870 -0.017 0.000 1.103 135 L CA 1.736 56.699 54.840 0.206 0.000 0.769 135 L CB -1.296 40.824 42.059 0.100 0.000 0.908 135 L HN 0.076 nan 8.230 nan 0.000 0.438 136 L N -0.284 120.916 121.223 -0.038 0.000 2.042 136 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 136 L C 2.329 179.102 176.870 -0.162 0.000 1.076 136 L CA 1.880 56.669 54.840 -0.085 0.000 0.749 136 L CB -0.545 41.442 42.059 -0.121 0.000 0.893 136 L HN 0.458 nan 8.230 nan 0.000 0.432 137 E N -1.633 118.397 120.200 -0.283 0.000 2.474 137 E HA 0.215 4.565 4.350 -0.000 0.000 0.215 137 E C 1.041 177.341 176.600 -0.499 0.000 0.867 137 E CA 0.357 56.568 56.400 -0.315 0.000 1.135 137 E CB 0.948 30.486 29.700 -0.269 0.000 1.147 137 E HN 0.418 nan 8.360 nan 0.000 0.534 138 G N 2.227 110.463 108.800 -0.940 0.000 2.539 138 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.256 138 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.256 138 G C 0.193 174.344 174.900 -1.249 0.000 1.233 138 G CA -0.431 43.665 45.100 -1.672 0.000 0.936 138 G HN 0.494 nan 8.290 nan 0.000 0.571 139 A N -0.066 122.423 122.820 -0.551 0.000 2.540 139 A HA 0.591 4.911 4.320 -0.000 0.000 0.239 139 A C 2.158 179.675 177.584 -0.112 0.000 1.061 139 A CA 2.448 54.440 52.037 -0.076 0.000 0.758 139 A CB -0.334 18.732 19.000 0.111 0.000 0.991 139 A HN 2.952 nan 8.150 nan 0.000 0.502 140 G N 1.329 110.111 108.800 -0.031 0.000 2.317 140 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.227 140 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.227 140 G C 1.003 175.871 174.900 -0.052 0.000 1.042 140 G CA 0.786 45.868 45.100 -0.030 0.000 0.623 140 G HN 2.236 nan 8.290 nan 0.000 0.509 141 S N 0.177 115.798 115.700 -0.133 0.000 2.614 141 S HA 0.340 4.810 4.470 -0.000 0.000 0.251 141 S C 1.669 176.262 174.600 -0.011 0.000 1.388 141 S CA 0.557 58.686 58.200 -0.119 0.000 0.973 141 S CB 0.925 63.975 63.200 -0.250 0.000 0.926 141 S HN 1.010 nan 8.310 nan 0.000 0.580 142 V N 0.349 120.284 119.914 0.035 0.000 2.323 142 V HA -0.106 4.014 4.120 -0.000 0.000 0.244 142 V C 2.205 178.427 176.094 0.213 0.000 1.041 142 V CA 1.640 64.007 62.300 0.112 0.000 1.025 142 V CB -1.310 30.592 31.823 0.133 0.000 0.656 142 V HN 0.830 nan 8.190 nan 0.000 0.451 143 Y N 0.703 121.002 120.300 -0.001 0.000 2.274 143 Y HA -0.218 4.332 4.550 -0.000 0.000 0.290 143 Y C 2.401 178.437 175.900 0.225 0.000 1.145 143 Y CA 1.465 59.626 58.100 0.101 0.000 1.203 143 Y CB -0.770 37.773 38.460 0.138 0.000 0.984 143 Y HN 0.377 nan 8.280 nan 0.000 0.533 144 D N -0.336 120.253 120.400 0.315 0.000 2.097 144 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 144 D C 2.175 178.621 176.300 0.244 0.000 0.989 144 D CA 1.334 55.573 54.000 0.398 0.000 0.827 144 D CB -0.003 40.933 40.800 0.227 0.000 0.966 144 D HN 0.150 nan 8.370 nan 0.000 0.456 145 R N -0.439 120.147 120.500 0.142 0.000 2.105 145 R HA -0.052 4.288 4.340 -0.000 0.000 0.239 145 R C 2.238 178.576 176.300 0.062 0.000 1.135 145 R CA 0.870 57.021 56.100 0.086 0.000 0.967 145 R CB -0.293 30.038 30.300 0.052 0.000 0.861 145 R HN 0.310 nan 8.270 nan 0.000 0.442 146 L N -0.317 120.937 121.223 0.051 0.000 2.599 146 L HA 0.164 4.504 4.340 -0.000 0.000 0.230 146 L C 0.998 177.864 176.870 -0.007 0.000 1.141 146 L CA 0.288 55.119 54.840 -0.015 0.000 0.877 146 L CB 0.030 42.035 42.059 -0.091 0.000 1.009 146 L HN 0.399 nan 8.230 nan 0.000 0.447 147 G N 1.436 110.288 108.800 0.087 0.000 2.273 147 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.280 147 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.280 147 G C 0.139 175.119 174.900 0.134 0.000 1.047 147 G CA -0.082 45.088 45.100 0.118 0.000 0.869 147 G HN 0.319 nan 8.290 nan 0.000 0.502 148 I N 0.743 121.397 120.570 0.140 0.000 2.529 148 I HA 0.361 4.531 4.170 -0.000 0.000 0.284 148 I C 0.954 177.222 176.117 0.251 0.000 1.082 148 I CA 0.068 61.444 61.300 0.128 0.000 1.406 148 I CB 1.533 39.467 38.000 -0.111 0.000 1.405 148 I HN 0.216 nan 8.210 nan 0.000 0.548 149 S N 3.465 119.340 115.700 0.292 0.000 2.525 149 S HA 0.240 4.710 4.470 -0.000 0.000 0.290 149 S C 0.328 175.101 174.600 0.287 0.000 1.152 149 S CA -0.734 57.609 58.200 0.238 0.000 1.072 149 S CB 1.037 64.405 63.200 0.279 0.000 1.027 149 S HN 0.548 nan 8.310 nan 0.000 0.500 150 D N 2.588 123.114 120.400 0.209 0.000 2.340 150 D HA 0.221 4.861 4.640 -0.000 0.000 0.220 150 D C 1.450 177.888 176.300 0.229 0.000 1.039 150 D CA 1.015 55.196 54.000 0.302 0.000 0.866 150 D CB -0.020 40.847 40.800 0.112 0.000 0.913 150 D HN 0.911 nan 8.370 nan 0.000 0.523 151 G N 0.655 109.547 108.800 0.154 0.000 2.176 151 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.253 151 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.253 151 G C 0.979 175.869 174.900 -0.018 0.000 0.979 151 G CA 0.172 45.314 45.100 0.070 0.000 0.641 151 G HN 0.336 nan 8.290 nan 0.000 0.530 152 I N 1.438 121.972 120.570 -0.060 0.000 3.265 152 I HA 0.156 4.326 4.170 -0.000 0.000 0.282 152 I C 1.287 177.361 176.117 -0.072 0.000 1.207 152 I CA 0.968 62.230 61.300 -0.063 0.000 1.449 152 I CB -0.616 37.245 38.000 -0.231 0.000 1.121 152 I HN 0.449 nan 8.210 nan 0.000 0.442 153 D N 1.365 121.682 120.400 -0.140 0.000 2.423 153 D HA 0.263 4.903 4.640 -0.000 0.000 0.255 153 D C -0.267 175.939 176.300 -0.156 0.000 1.174 153 D CA -0.511 53.407 54.000 -0.136 0.000 1.008 153 D CB 1.540 42.229 40.800 -0.186 0.000 1.101 153 D HN -0.183 nan 8.370 nan 0.000 0.516 154 L N 0.248 121.387 121.223 -0.140 0.000 2.287 154 L HA 0.439 4.779 4.340 -0.000 0.000 0.287 154 L C -0.805 175.948 176.870 -0.196 0.000 1.022 154 L CA -0.383 54.356 54.840 -0.167 0.000 0.814 154 L CB 0.619 42.614 42.059 -0.106 0.000 1.217 154 L HN 0.321 nan 8.230 nan 0.000 0.420 155 R N 2.521 122.840 120.500 -0.301 0.000 2.750 155 R HA 0.318 4.658 4.340 -0.000 0.000 0.281 155 R C -0.968 175.109 176.300 -0.371 0.000 0.972 155 R CA -0.822 55.037 56.100 -0.402 0.000 0.912 155 R CB 1.467 31.293 30.300 -0.790 0.000 1.187 155 R HN 0.467 nan 8.270 nan 0.000 0.464 156 D N 2.501 122.790 120.400 -0.185 0.000 2.994 156 D HA 0.201 4.841 4.640 -0.000 0.000 0.240 156 D C -0.942 175.446 176.300 0.146 0.000 1.195 156 D CA -0.024 53.963 54.000 -0.021 0.000 0.957 156 D CB -0.631 40.194 40.800 0.042 0.000 1.105 156 D HN 0.324 nan 8.370 nan 0.000 0.477 157 F N -1.289 118.720 119.950 0.098 0.000 2.713 157 F HA 0.423 4.950 4.527 -0.000 0.000 0.311 157 F C -0.618 175.277 175.800 0.159 0.000 1.141 157 F CA -1.495 56.559 58.000 0.091 0.000 0.939 157 F CB 0.312 39.347 39.000 0.057 0.000 1.325 157 F HN -0.185 nan 8.300 nan 0.000 0.453 158 D N 1.136 121.754 120.400 0.363 0.000 2.478 158 D HA 0.240 4.880 4.640 -0.000 0.000 0.269 158 D C 1.046 177.361 176.300 0.026 0.000 1.232 158 D CA -0.525 53.617 54.000 0.236 0.000 1.059 158 D CB 0.523 41.402 40.800 0.131 0.000 1.104 158 D HN 0.685 nan 8.370 nan 0.000 0.566 159 L N 0.045 121.162 121.223 -0.176 0.000 2.012 159 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 159 L C 1.346 178.059 176.870 -0.261 0.000 1.073 159 L CA 2.022 56.560 54.840 -0.503 0.000 0.748 159 L CB -0.952 40.964 42.059 -0.239 0.000 0.891 159 L HN 0.346 nan 8.230 nan 0.000 0.431 160 D N -0.639 119.694 120.400 -0.111 0.000 2.182 160 D HA -0.223 4.417 4.640 -0.000 0.000 0.201 160 D C 2.092 178.353 176.300 -0.066 0.000 0.986 160 D CA 1.370 55.331 54.000 -0.065 0.000 0.847 160 D CB 0.054 40.838 40.800 -0.027 0.000 0.942 160 D HN 0.527 nan 8.370 nan 0.000 0.467 161 E N 0.748 120.909 120.200 -0.064 0.000 2.072 161 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 161 E C 1.698 178.171 176.600 -0.213 0.000 0.982 161 E CA 1.015 57.334 56.400 -0.135 0.000 0.803 161 E CB -0.307 29.309 29.700 -0.139 0.000 0.755 161 E HN 0.054 nan 8.360 nan 0.000 0.453 162 N N -0.321 118.310 118.700 -0.115 0.000 2.166 162 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 162 N C 1.633 177.098 175.510 -0.075 0.000 1.019 162 N CA 1.238 54.255 53.050 -0.055 0.000 0.856 162 N CB -0.106 38.373 38.487 -0.013 0.000 0.993 162 N HN 0.243 nan 8.380 nan 0.000 0.426 163 L N -0.150 121.030 121.223 -0.071 0.000 2.156 163 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 163 L C 2.559 179.495 176.870 0.109 0.000 1.095 163 L CA 0.683 55.554 54.840 0.053 0.000 0.770 163 L CB -0.411 41.652 42.059 0.008 0.000 0.914 163 L HN 0.261 nan 8.230 nan 0.000 0.439 164 R N 0.803 121.302 120.500 -0.002 0.000 2.092 164 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 164 R C 2.374 178.613 176.300 -0.102 0.000 1.119 164 R CA 1.244 57.318 56.100 -0.043 0.000 0.970 164 R CB -0.007 30.250 30.300 -0.073 0.000 0.864 164 R HN 0.308 nan 8.270 nan 0.000 0.440 165 R N 0.203 120.620 120.500 -0.139 0.000 2.090 165 R HA -0.103 4.237 4.340 -0.000 0.000 0.228 165 R C 2.349 178.535 176.300 -0.191 0.000 1.110 165 R CA 1.038 57.033 56.100 -0.174 0.000 0.973 165 R CB -0.424 29.750 30.300 -0.210 0.000 0.869 165 R HN 0.173 nan 8.270 nan 0.000 0.440 166 L N 0.988 122.125 121.223 -0.143 0.000 2.017 166 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 166 L C 2.232 178.990 176.870 -0.186 0.000 1.073 166 L CA 2.028 56.769 54.840 -0.165 0.000 0.745 166 L CB -0.672 41.413 42.059 0.044 0.000 0.894 166 L HN 0.123 nan 8.230 nan 0.000 0.432 167 A N -1.070 121.620 122.820 -0.216 0.000 2.070 167 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 167 A C 2.378 179.758 177.584 -0.340 0.000 1.159 167 A CA 1.624 53.338 52.037 -0.539 0.000 0.656 167 A CB -1.001 17.561 19.000 -0.730 0.000 0.800 167 A HN 0.681 nan 8.150 nan 0.000 0.453 168 S N -0.660 114.900 115.700 -0.232 0.000 2.561 168 S HA 0.470 4.940 4.470 -0.000 0.000 0.225 168 S C 0.867 175.374 174.600 -0.155 0.000 0.977 168 S CA 0.363 58.457 58.200 -0.176 0.000 0.926 168 S CB -0.514 62.601 63.200 -0.142 0.000 0.769 168 S HN 0.828 nan 8.310 nan 0.000 0.533 169 A N 3.151 125.864 122.820 -0.178 0.000 2.316 169 A HA 0.684 5.004 4.320 -0.000 0.000 0.284 169 A C -2.280 175.256 177.584 -0.080 0.000 1.115 169 A CA -1.922 50.047 52.037 -0.113 0.000 0.812 169 A CB 0.262 19.171 19.000 -0.152 0.000 1.064 169 A HN 0.404 nan 8.150 nan 0.000 0.489 170 P HA 0.344 nan 4.420 nan 0.000 0.281 170 P C -0.615 176.652 177.300 -0.056 0.000 1.249 170 P CA -0.284 62.783 63.100 -0.055 0.000 0.810 170 P CB 0.735 32.412 31.700 -0.038 0.000 1.008 171 L N 1.327 122.489 121.223 -0.103 0.000 2.467 171 L HA 0.066 4.406 4.340 -0.000 0.000 0.270 171 L C 1.905 178.658 176.870 -0.195 0.000 1.205 171 L CA -0.034 54.702 54.840 -0.175 0.000 0.828 171 L CB -0.105 41.833 42.059 -0.202 0.000 1.101 171 L HN 0.407 nan 8.230 nan 0.000 0.479 172 S N 0.982 116.475 115.700 -0.344 0.000 2.461 172 S HA 0.121 4.591 4.470 -0.000 0.000 0.228 172 S C -0.207 174.333 174.600 -0.100 0.000 1.005 172 S CA 0.538 58.590 58.200 -0.247 0.000 0.942 172 S CB -0.097 62.936 63.200 -0.278 0.000 0.776 172 S HN 0.519 nan 8.310 nan 0.000 0.514 173 F N -1.723 118.209 119.950 -0.029 0.000 2.817 173 F HA 0.762 5.289 4.527 -0.000 0.000 0.317 173 F C -0.819 174.959 175.800 -0.036 0.000 1.168 173 F CA -2.271 55.715 58.000 -0.023 0.000 0.911 173 F CB 0.434 39.427 39.000 -0.011 0.000 1.337 173 F HN -0.196 nan 8.300 nan 0.000 0.464 174 A N 1.384 124.391 122.820 0.312 0.000 2.440 174 A HA 0.625 4.945 4.320 -0.000 0.000 0.251 174 A C -2.665 175.043 177.584 0.206 0.000 1.089 174 A CA -1.481 50.653 52.037 0.162 0.000 0.779 174 A CB -0.711 18.355 19.000 0.110 0.000 1.022 174 A HN 0.522 nan 8.150 nan 0.000 0.492 175 P HA 0.142 nan 4.420 nan 0.000 0.261 175 P C 1.133 178.347 177.300 -0.143 0.000 1.173 175 P CA 2.242 65.190 63.100 -0.253 0.000 0.760 175 P CB 0.523 31.842 31.700 -0.634 0.000 0.783 176 G N 2.660 111.499 108.800 0.064 0.000 2.205 176 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.261 176 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.261 176 G C 1.331 176.322 174.900 0.152 0.000 0.980 176 G CA 0.576 45.834 45.100 0.264 0.000 0.632 176 G HN 0.598 nan 8.290 nan 0.000 0.533 177 S N -0.209 115.545 115.700 0.090 0.000 2.470 177 S HA 0.519 4.989 4.470 -0.000 0.000 0.225 177 S C 1.279 175.683 174.600 -0.327 0.000 1.006 177 S CA 1.578 59.748 58.200 -0.050 0.000 0.934 177 S CB 0.080 63.295 63.200 0.025 0.000 0.778 177 S HN 2.056 nan 8.310 nan 0.000 0.517 178 G N -0.853 107.570 108.800 -0.629 0.000 2.561 178 G HA2 0.453 4.413 3.960 -0.000 0.000 0.310 178 G HA3 0.453 4.413 3.960 -0.000 0.000 0.310 178 G C -2.377 172.304 174.900 -0.365 0.000 1.292 178 G CA -0.763 43.870 45.100 -0.778 0.000 0.811 178 G HN 0.356 nan 8.290 nan 0.000 0.482 179 W N 0.508 121.636 121.300 -0.286 0.000 2.785 179 W HA 0.758 5.418 4.660 -0.000 0.000 0.333 179 W C -0.628 176.019 176.519 0.213 0.000 1.062 179 W CA -0.644 56.744 57.345 0.071 0.000 1.233 179 W CB 2.041 31.519 29.460 0.030 0.000 1.413 179 W HN 0.680 nan 8.180 nan 0.000 0.489 180 Q N 5.431 124.888 119.800 -0.571 0.000 2.364 180 Q HA 0.122 4.462 4.340 -0.000 0.000 0.251 180 Q C -1.728 173.750 176.000 -0.871 0.000 0.927 180 Q CA -0.820 54.685 55.803 -0.497 0.000 0.924 180 Q CB 1.107 29.859 28.738 0.023 0.000 1.419 180 Q HN 0.500 nan 8.270 nan 0.000 0.427 181 Y N 2.714 122.407 120.300 -1.010 0.000 2.811 181 Y HA 0.248 4.798 4.550 -0.000 0.000 0.334 181 Y C -0.122 175.596 175.900 -0.302 0.000 1.247 181 Y CA 1.351 59.048 58.100 -0.673 0.000 1.526 181 Y CB 0.490 38.903 38.460 -0.078 0.000 1.284 181 Y HN 0.724 nan 8.280 nan 0.000 0.586 182 S N 3.379 118.763 115.700 -0.527 0.000 2.727 182 S HA 0.400 4.870 4.470 -0.000 0.000 0.278 182 S C -0.401 173.508 174.600 -1.151 0.000 1.186 182 S CA -1.006 56.739 58.200 -0.758 0.000 0.836 182 S CB 0.781 63.791 63.200 -0.316 0.000 1.186 182 S HN 0.524 nan 8.310 nan 0.000 0.499 183 L N 1.316 121.971 121.223 -0.946 0.000 2.660 183 L HA 0.278 4.618 4.340 -0.000 0.000 0.238 183 L C 2.419 179.149 176.870 -0.233 0.000 1.161 183 L CA 0.492 55.007 54.840 -0.541 0.000 0.937 183 L CB -0.744 41.163 42.059 -0.254 0.000 1.122 183 L HN 0.912 nan 8.230 nan 0.000 0.435 184 A N 0.074 122.769 122.820 -0.209 0.000 1.948 184 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 184 A C 2.102 179.589 177.584 -0.163 0.000 1.177 184 A CA 1.385 53.306 52.037 -0.194 0.000 0.636 184 A CB -0.319 18.518 19.000 -0.271 0.000 0.815 184 A HN 0.323 nan 8.150 nan 0.000 0.449 185 L N -0.383 120.795 121.223 -0.075 0.000 2.217 185 L HA -0.145 4.195 4.340 -0.000 0.000 0.211 185 L C 1.705 178.583 176.870 0.013 0.000 1.107 185 L CA 2.059 56.898 54.840 -0.001 0.000 0.783 185 L CB -1.518 40.618 42.059 0.129 0.000 0.919 185 L HN 0.410 nan 8.230 nan 0.000 0.442 186 D N -0.789 119.620 120.400 0.015 0.000 2.117 186 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 186 D C 2.338 178.586 176.300 -0.087 0.000 0.982 186 D CA 0.762 54.780 54.000 0.029 0.000 0.828 186 D CB 0.142 40.983 40.800 0.068 0.000 0.967 186 D HN 0.008 nan 8.370 nan 0.000 0.464 187 V N 0.631 120.432 119.914 -0.188 0.000 2.295 187 V HA -0.214 3.906 4.120 -0.000 0.000 0.246 187 V C 2.390 178.327 176.094 -0.262 0.000 1.049 187 V CA 1.266 63.356 62.300 -0.350 0.000 1.024 187 V CB -0.473 31.036 31.823 -0.524 0.000 0.648 187 V HN 0.260 nan 8.190 nan 0.000 0.447 188 L N 0.353 121.460 121.223 -0.194 0.000 2.131 188 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 188 L C 2.613 179.400 176.870 -0.137 0.000 1.092 188 L CA 1.528 56.264 54.840 -0.173 0.000 0.759 188 L CB -1.061 40.910 42.059 -0.146 0.000 0.903 188 L HN 0.483 nan 8.230 nan 0.000 0.435 189 G N -0.363 108.387 108.800 -0.083 0.000 2.440 189 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 189 G C 1.754 176.598 174.900 -0.093 0.000 1.154 189 G CA 0.855 45.923 45.100 -0.053 0.000 0.767 189 G HN 0.480 nan 8.290 nan 0.000 0.552 190 A N 0.038 122.791 122.820 -0.111 0.000 1.898 190 A HA 0.123 4.443 4.320 -0.000 0.000 0.216 190 A C 2.607 180.133 177.584 -0.096 0.000 1.181 190 A CA 1.689 53.665 52.037 -0.102 0.000 0.620 190 A CB -0.658 18.270 19.000 -0.121 0.000 0.819 190 A HN 0.247 nan 8.150 nan 0.000 0.442 191 V N -0.227 119.605 119.914 -0.138 0.000 2.282 191 V HA -0.272 3.848 4.120 -0.000 0.000 0.249 191 V C 2.590 178.538 176.094 -0.242 0.000 1.057 191 V CA 2.178 64.368 62.300 -0.184 0.000 1.032 191 V CB -0.791 30.856 31.823 -0.294 0.000 0.645 191 V HN 0.378 nan 8.190 nan 0.000 0.447 192 V N -0.289 119.500 119.914 -0.208 0.000 2.343 192 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 192 V C 2.409 178.438 176.094 -0.110 0.000 1.051 192 V CA 2.116 64.311 62.300 -0.174 0.000 1.036 192 V CB -0.664 31.087 31.823 -0.120 0.000 0.654 192 V HN 0.643 nan 8.190 nan 0.000 0.451 193 E N -0.389 119.760 120.200 -0.085 0.000 2.110 193 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 193 E C 2.510 179.100 176.600 -0.017 0.000 0.988 193 E CA 0.909 57.278 56.400 -0.052 0.000 0.804 193 E CB -0.135 29.533 29.700 -0.053 0.000 0.745 193 E HN 0.438 nan 8.360 nan 0.000 0.458 194 R N 0.476 120.978 120.500 0.003 0.000 2.066 194 R HA -0.014 4.326 4.340 -0.000 0.000 0.232 194 R C 2.258 178.627 176.300 0.114 0.000 1.131 194 R CA 1.218 57.367 56.100 0.082 0.000 0.955 194 R CB -0.995 29.410 30.300 0.174 0.000 0.851 194 R HN 0.152 nan 8.270 nan 0.000 0.432 195 A N 0.792 123.645 122.820 0.055 0.000 1.972 195 A HA -0.150 4.170 4.320 -0.000 0.000 0.219 195 A C 2.147 179.752 177.584 0.036 0.000 1.169 195 A CA 2.236 54.309 52.037 0.060 0.000 0.635 195 A CB -0.622 18.276 19.000 -0.170 0.000 0.810 195 A HN 0.535 nan 8.150 nan 0.000 0.446 196 T N -5.162 109.391 114.554 -0.002 0.000 3.037 196 T HA 0.396 4.746 4.350 -0.000 0.000 0.252 196 T C 1.408 176.115 174.700 0.012 0.000 1.073 196 T CA 1.115 63.216 62.100 0.001 0.000 1.091 196 T CB -0.006 68.852 68.868 -0.017 0.000 0.935 196 T HN 1.721 nan 8.240 nan 0.000 0.488 197 G N 1.160 109.969 108.800 0.016 0.000 2.176 197 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.252 197 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.252 197 G C -0.327 174.576 174.900 0.006 0.000 1.024 197 G CA 0.239 45.349 45.100 0.016 0.000 0.755 197 G HN 0.732 nan 8.290 nan 0.000 0.507 198 Q N -0.336 119.462 119.800 -0.004 0.000 2.423 198 Q HA 0.528 4.868 4.340 -0.000 0.000 0.278 198 Q C -2.499 173.484 176.000 -0.028 0.000 1.097 198 Q CA -2.120 53.677 55.803 -0.010 0.000 0.809 198 Q CB 3.034 31.768 28.738 -0.007 0.000 1.391 198 Q HN 0.202 nan 8.270 nan 0.000 0.428 199 P HA -0.042 nan 4.420 nan 0.000 0.272 199 P C 0.396 177.630 177.300 -0.110 0.000 1.230 199 P CA -0.269 62.792 63.100 -0.065 0.000 0.788 199 P CB 0.892 32.562 31.700 -0.050 0.000 0.949 200 L N 3.021 124.125 121.223 -0.198 0.000 2.021 200 L HA -0.249 4.091 4.340 -0.000 0.000 0.215 200 L C 2.516 179.214 176.870 -0.287 0.000 1.074 200 L CA 2.652 57.317 54.840 -0.292 0.000 0.760 200 L CB -1.784 39.986 42.059 -0.482 0.000 0.889 200 L HN 0.522 nan 8.230 nan 0.000 0.433 201 A N -0.935 121.671 122.820 -0.355 0.000 1.908 201 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 201 A C 2.429 180.069 177.584 0.093 0.000 1.181 201 A CA 2.100 54.147 52.037 0.018 0.000 0.627 201 A CB -1.119 17.957 19.000 0.125 0.000 0.818 201 A HN 0.581 nan 8.150 nan 0.000 0.445 202 A N -0.391 122.445 122.820 0.027 0.000 1.897 202 A HA 0.250 4.570 4.320 -0.000 0.000 0.215 202 A C 2.502 180.108 177.584 0.036 0.000 1.181 202 A CA 1.864 53.923 52.037 0.038 0.000 0.620 202 A CB -0.972 18.040 19.000 0.020 0.000 0.821 202 A HN 1.011 nan 8.150 nan 0.000 0.443 203 A N -0.443 122.386 122.820 0.015 0.000 1.858 203 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 203 A C 2.237 179.850 177.584 0.049 0.000 1.190 203 A CA 1.854 53.900 52.037 0.015 0.000 0.617 203 A CB -1.076 17.916 19.000 -0.015 0.000 0.827 203 A HN 0.379 nan 8.150 nan 0.000 0.443 204 V N 0.371 120.340 119.914 0.090 0.000 2.287 204 V HA -0.295 3.825 4.120 -0.000 0.000 0.248 204 V C 2.317 178.475 176.094 0.106 0.000 1.053 204 V CA 2.624 65.004 62.300 0.133 0.000 1.027 204 V CB -0.860 31.122 31.823 0.265 0.000 0.646 204 V HN 0.717 nan 8.190 nan 0.000 0.447 205 D N -0.335 120.126 120.400 0.102 0.000 2.123 205 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 205 D C 2.108 178.446 176.300 0.063 0.000 0.992 205 D CA 1.494 55.538 54.000 0.073 0.000 0.833 205 D CB -0.140 40.704 40.800 0.074 0.000 0.954 205 D HN 0.413 nan 8.370 nan 0.000 0.455 206 A N -0.324 122.530 122.820 0.058 0.000 1.872 206 A HA -0.037 4.283 4.320 -0.000 0.000 0.214 206 A C 2.232 179.850 177.584 0.057 0.000 1.187 206 A CA 0.888 52.954 52.037 0.048 0.000 0.614 206 A CB -0.645 18.375 19.000 0.033 0.000 0.826 206 A HN 0.313 nan 8.150 nan 0.000 0.442 207 L N -1.217 120.043 121.223 0.061 0.000 2.270 207 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 207 L C 1.827 178.797 176.870 0.166 0.000 1.104 207 L CA 0.591 55.471 54.840 0.066 0.000 0.804 207 L CB 0.046 42.126 42.059 0.035 0.000 0.937 207 L HN 0.270 nan 8.230 nan 0.000 0.450 208 V N -1.953 118.068 119.914 0.177 0.000 3.278 208 V HA 0.217 4.337 4.120 -0.000 0.000 0.215 208 V C 2.233 178.386 176.094 0.099 0.000 1.287 208 V CA 0.742 63.184 62.300 0.236 0.000 1.302 208 V CB -0.297 31.629 31.823 0.172 0.000 1.228 208 V HN 0.155 nan 8.190 nan 0.000 0.523 209 A N -0.072 122.776 122.820 0.047 0.000 1.892 209 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 209 A C 2.104 179.693 177.584 0.008 0.000 1.188 209 A CA 2.174 54.211 52.037 -0.001 0.000 0.631 209 A CB -0.578 18.417 19.000 -0.008 0.000 0.822 209 A HN 0.530 nan 8.150 nan 0.000 0.447 210 Q N -0.672 119.150 119.800 0.036 0.000 2.020 210 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 210 Q C -0.050 175.977 176.000 0.044 0.000 0.982 210 Q CA 2.086 57.911 55.803 0.036 0.000 0.838 210 Q CB -1.629 27.135 28.738 0.043 0.000 0.899 210 Q HN 0.603 nan 8.270 nan 0.000 0.423 211 P HA -0.107 nan 4.420 nan 0.000 0.218 211 P C 1.088 178.415 177.300 0.046 0.000 1.149 211 P CA 1.113 64.282 63.100 0.116 0.000 0.817 211 P CB -0.066 31.790 31.700 0.261 0.000 0.785 212 L N -1.471 119.731 121.223 -0.034 0.000 2.611 212 L HA 0.276 4.616 4.340 -0.000 0.000 0.229 212 L C 1.376 178.192 176.870 -0.090 0.000 1.137 212 L CA 0.478 55.236 54.840 -0.138 0.000 0.901 212 L CB -0.955 40.934 42.059 -0.283 0.000 1.098 212 L HN 0.082 nan 8.230 nan 0.000 0.456 213 G N 0.757 109.529 108.800 -0.046 0.000 2.179 213 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 213 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 213 G C 0.246 175.116 174.900 -0.049 0.000 1.010 213 G CA 0.010 45.087 45.100 -0.039 0.000 0.736 213 G HN 0.337 nan 8.290 nan 0.000 0.513 214 M N 0.106 119.670 119.600 -0.059 0.000 2.383 214 M HA 0.329 4.809 4.480 -0.000 0.000 0.337 214 M C 1.534 177.806 176.300 -0.047 0.000 1.422 214 M CA 0.066 55.324 55.300 -0.069 0.000 1.333 214 M CB 0.491 33.035 32.600 -0.092 0.000 1.488 214 M HN 0.202 nan 8.290 nan 0.000 0.454 215 R N 0.604 121.083 120.500 -0.036 0.000 2.312 215 R HA 0.086 4.426 4.340 -0.000 0.000 0.205 215 R C -0.136 176.164 176.300 -0.000 0.000 0.904 215 R CA 0.381 56.473 56.100 -0.013 0.000 1.052 215 R CB 0.493 30.790 30.300 -0.005 0.000 1.014 215 R HN 0.613 nan 8.270 nan 0.000 0.503 216 D N 0.755 121.144 120.400 -0.018 0.000 2.772 216 D HA 0.107 4.747 4.640 -0.000 0.000 0.272 216 D C -0.119 176.155 176.300 -0.044 0.000 1.314 216 D CA 0.008 54.019 54.000 0.019 0.000 0.835 216 D CB 0.558 41.368 40.800 0.016 0.000 1.080 216 D HN 0.222 nan 8.370 nan 0.000 0.482 217 C N -1.742 117.443 119.300 -0.191 0.000 2.913 217 C HA 1.026 5.486 4.460 -0.000 0.000 0.322 217 C C 0.621 175.209 174.990 -0.670 0.000 1.292 217 C CA -0.474 58.227 59.018 -0.527 0.000 1.649 217 C CB 1.494 29.021 27.740 -0.354 0.000 2.139 217 C HN 0.347 nan 8.230 nan 0.000 0.475 218 G N -0.355 107.809 108.800 -1.060 0.000 2.336 218 G HA2 0.439 4.399 3.960 -0.000 0.000 0.286 218 G HA3 0.439 4.399 3.960 -0.000 0.000 0.286 218 G C -0.911 173.693 174.900 -0.493 0.000 1.269 218 G CA -0.227 44.560 45.100 -0.522 0.000 0.873 218 G HN 0.564 nan 8.290 nan 0.000 0.494 219 F N -0.620 119.398 119.950 0.113 0.000 2.592 219 F HA 0.467 4.994 4.527 -0.000 0.000 0.280 219 F C 0.918 176.893 175.800 0.292 0.000 1.083 219 F CA 0.169 58.283 58.000 0.191 0.000 1.365 219 F CB 1.057 40.122 39.000 0.108 0.000 1.100 219 F HN 0.252 nan 8.300 nan 0.000 0.633 220 V N 0.066 120.269 119.914 0.482 0.000 2.487 220 V HA 0.503 4.622 4.120 -0.000 0.000 0.298 220 V C -0.384 175.850 176.094 0.234 0.000 1.028 220 V CA -0.860 61.600 62.300 0.267 0.000 0.860 220 V CB 1.506 33.440 31.823 0.185 0.000 0.991 220 V HN 0.056 nan 8.190 nan 0.000 0.427 221 S N 3.181 118.874 115.700 -0.012 0.000 2.568 221 S HA 0.808 5.278 4.470 -0.000 0.000 0.302 221 S C 0.395 175.055 174.600 0.101 0.000 1.082 221 S CA 0.196 58.339 58.200 -0.094 0.000 1.009 221 S CB 2.037 64.943 63.200 -0.490 0.000 1.069 221 S HN 1.105 nan 8.310 nan 0.000 0.500 222 A N 2.656 125.509 122.820 0.055 0.000 2.589 222 A HA 0.448 4.768 4.320 -0.000 0.000 0.283 222 A C -0.066 177.470 177.584 -0.079 0.000 1.187 222 A CA -0.329 51.702 52.037 -0.010 0.000 0.957 222 A CB 0.037 19.035 19.000 -0.002 0.000 1.175 222 A HN 0.798 nan 8.150 nan 0.000 0.532 223 E N 0.534 120.724 120.200 -0.017 0.000 3.167 223 E HA 0.171 4.521 4.350 -0.000 0.000 0.212 223 E C -2.171 174.456 176.600 0.045 0.000 1.143 223 E CA -1.677 54.720 56.400 -0.004 0.000 1.002 223 E CB 1.002 30.741 29.700 0.064 0.000 1.315 223 E HN 0.201 nan 8.360 nan 0.000 0.422 224 P HA -0.181 nan 4.420 nan 0.000 0.218 224 P C 0.807 178.100 177.300 -0.011 0.000 1.148 224 P CA 1.031 63.920 63.100 -0.351 0.000 0.822 224 P CB 0.320 31.552 31.700 -0.780 0.000 0.784 225 E N -0.735 119.439 120.200 -0.044 0.000 2.409 225 E HA -0.117 4.232 4.350 -0.000 0.000 0.198 225 E C 1.744 178.356 176.600 0.020 0.000 1.024 225 E CA 0.504 56.893 56.400 -0.017 0.000 0.861 225 E CB -0.189 29.485 29.700 -0.043 0.000 0.788 225 E HN 0.279 nan 8.360 nan 0.000 0.521 226 R N -0.550 119.999 120.500 0.081 0.000 2.280 226 R HA 0.094 4.434 4.340 -0.000 0.000 0.195 226 R C 0.007 176.231 176.300 -0.128 0.000 0.935 226 R CA -0.086 56.005 56.100 -0.016 0.000 1.033 226 R CB 0.305 30.578 30.300 -0.045 0.000 0.964 226 R HN -0.017 nan 8.270 nan 0.000 0.489 227 F N 0.858 120.745 119.950 -0.105 0.000 2.370 227 F HA 0.331 4.858 4.527 -0.000 0.000 0.324 227 F C 0.809 176.466 175.800 -0.237 0.000 1.116 227 F CA -1.092 56.809 58.000 -0.165 0.000 1.123 227 F CB 0.607 39.575 39.000 -0.053 0.000 1.238 227 F HN -0.086 nan 8.300 nan 0.000 0.536 228 A N 1.978 124.631 122.820 -0.278 0.000 2.320 228 A HA 0.541 4.861 4.320 -0.000 0.000 0.287 228 A C -0.700 176.860 177.584 -0.039 0.000 1.181 228 A CA -0.589 51.281 52.037 -0.278 0.000 0.831 228 A CB 0.010 18.598 19.000 -0.687 0.000 1.102 228 A HN 0.511 nan 8.150 nan 0.000 0.513 229 V N 5.491 125.416 119.914 0.018 0.000 2.508 229 V HA 0.168 4.288 4.120 -0.000 0.000 0.281 229 V C -2.102 173.923 176.094 -0.115 0.000 1.041 229 V CA -1.039 61.229 62.300 -0.054 0.000 1.016 229 V CB 0.950 32.718 31.823 -0.091 0.000 0.984 229 V HN 0.736 nan 8.190 nan 0.000 0.478 230 P HA 0.254 nan 4.420 nan 0.000 0.271 230 P C -1.218 175.859 177.300 -0.371 0.000 1.233 230 P CA 0.299 63.309 63.100 -0.150 0.000 0.764 230 P CB 0.136 31.791 31.700 -0.076 0.000 0.825 231 Y N 1.720 121.953 120.300 -0.111 0.000 2.598 231 Y HA 0.527 5.077 4.550 -0.000 0.000 0.340 231 Y C 0.856 176.635 175.900 -0.201 0.000 1.038 231 Y CA -0.491 57.505 58.100 -0.174 0.000 1.100 231 Y CB 1.500 39.880 38.460 -0.134 0.000 1.281 231 Y HN 0.452 nan 8.280 nan 0.000 0.488 232 H N -2.118 116.925 119.070 -0.045 0.000 2.679 232 H HA 0.472 5.028 4.556 -0.000 0.000 0.367 232 H C -1.216 174.070 175.328 -0.070 0.000 1.162 232 H CA -1.371 54.574 56.048 -0.171 0.000 1.181 232 H CB 0.764 30.383 29.762 -0.238 0.000 1.693 232 H HN 0.401 nan 8.280 nan 0.000 0.538 233 D N 0.504 120.986 120.400 0.136 0.000 2.515 233 D HA 0.375 5.015 4.640 -0.000 0.000 0.232 233 D C 0.651 177.066 176.300 0.193 0.000 1.157 233 D CA 1.696 55.765 54.000 0.115 0.000 0.871 233 D CB 0.760 41.612 40.800 0.087 0.000 1.200 233 D HN 0.919 nan 8.370 nan 0.000 0.466 234 G N 0.162 109.014 108.800 0.088 0.000 2.466 234 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 234 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 234 G C -1.802 173.120 174.900 0.038 0.000 1.460 234 G CA -0.761 44.387 45.100 0.081 0.000 0.791 234 G HN 0.339 nan 8.290 nan 0.000 0.505 235 Q N 0.378 120.200 119.800 0.038 0.000 2.323 235 Q HA 0.380 4.720 4.340 -0.000 0.000 0.271 235 Q C -1.313 174.699 176.000 0.019 0.000 1.048 235 Q CA -1.780 54.036 55.803 0.022 0.000 0.792 235 Q CB 2.963 31.716 28.738 0.025 0.000 1.280 235 Q HN 0.517 nan 8.270 nan 0.000 0.441 236 P HA -0.194 nan 4.420 nan 0.000 0.215 236 P C -0.434 176.860 177.300 -0.009 0.000 1.153 236 P CA 1.382 64.483 63.100 0.001 0.000 0.853 236 P CB 0.568 32.267 31.700 -0.002 0.000 0.788 237 E N -0.664 119.526 120.200 -0.018 0.000 2.429 237 E HA 0.557 4.907 4.350 -0.000 0.000 0.276 237 E C -3.144 173.424 176.600 -0.053 0.000 0.953 237 E CA -2.937 53.438 56.400 -0.042 0.000 0.787 237 E CB 1.085 30.749 29.700 -0.059 0.000 1.307 237 E HN -0.171 nan 8.360 nan 0.000 0.458 238 P HA 0.012 nan 4.420 nan 0.000 0.268 238 P C -0.851 176.416 177.300 -0.056 0.000 1.208 238 P CA -0.189 62.859 63.100 -0.087 0.000 0.777 238 P CB 0.501 32.124 31.700 -0.127 0.000 0.875 239 V N 3.086 122.899 119.914 -0.168 0.000 2.459 239 V HA 0.361 4.481 4.120 -0.000 0.000 0.295 239 V C 0.592 176.599 176.094 -0.144 0.000 1.029 239 V CA -0.857 61.345 62.300 -0.164 0.000 0.874 239 V CB 1.459 33.060 31.823 -0.370 0.000 0.985 239 V HN 0.454 nan 8.190 nan 0.000 0.438 240 R N 4.481 124.939 120.500 -0.069 0.000 2.449 240 R HA 0.304 4.644 4.340 -0.000 0.000 0.296 240 R C -0.252 175.878 176.300 -0.283 0.000 1.047 240 R CA -0.022 55.806 56.100 -0.454 0.000 1.018 240 R CB 0.320 30.389 30.300 -0.385 0.000 0.962 240 R HN 0.692 nan 8.270 nan 0.000 0.428 241 M N 4.299 123.725 119.600 -0.290 0.000 2.314 241 M HA 0.368 4.848 4.480 -0.000 0.000 0.342 241 M C 0.167 176.414 176.300 -0.088 0.000 1.171 241 M CA -0.105 55.118 55.300 -0.128 0.000 1.098 241 M CB 1.662 34.183 32.600 -0.131 0.000 1.559 241 M HN 0.492 nan 8.290 nan 0.000 0.459 242 R N 0.172 120.659 120.500 -0.021 0.000 2.919 242 R HA 0.417 4.757 4.340 -0.000 0.000 0.260 242 R C -1.251 175.064 176.300 0.025 0.000 1.067 242 R CA -1.176 54.918 56.100 -0.009 0.000 1.003 242 R CB 1.034 31.328 30.300 -0.009 0.000 1.192 242 R HN 0.536 nan 8.270 nan 0.000 0.488 243 D N 0.273 120.685 120.400 0.020 0.000 2.488 243 D HA 0.160 4.800 4.640 -0.000 0.000 0.238 243 D C 1.234 177.549 176.300 0.025 0.000 1.138 243 D CA 1.907 55.923 54.000 0.027 0.000 0.873 243 D CB 0.654 41.459 40.800 0.008 0.000 1.183 243 D HN 0.758 nan 8.370 nan 0.000 0.458 244 G N 1.690 110.505 108.800 0.025 0.000 2.199 244 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.254 244 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.254 244 G C 0.636 175.549 174.900 0.021 0.000 0.982 244 G CA 0.272 45.375 45.100 0.005 0.000 0.632 244 G HN 0.711 nan 8.290 nan 0.000 0.529 245 I N -0.968 119.639 120.570 0.061 0.000 2.779 245 I HA 0.719 4.889 4.170 -0.000 0.000 0.285 245 I C 0.131 176.296 176.117 0.081 0.000 1.134 245 I CA -0.495 60.849 61.300 0.074 0.000 1.398 245 I CB 1.067 39.127 38.000 0.101 0.000 1.404 245 I HN 0.150 nan 8.210 nan 0.000 0.587 246 E N 4.452 124.686 120.200 0.057 0.000 2.166 246 E HA 0.575 4.925 4.350 -0.000 0.000 0.275 246 E C -1.611 175.028 176.600 0.064 0.000 0.941 246 E CA -0.859 55.570 56.400 0.048 0.000 0.784 246 E CB 1.970 31.697 29.700 0.046 0.000 1.115 246 E HN 0.602 nan 8.360 nan 0.000 0.399 247 V N 6.171 126.150 119.914 0.109 0.000 2.443 247 V HA 0.321 4.441 4.120 -0.000 0.000 0.293 247 V C -2.360 173.854 176.094 0.200 0.000 1.021 247 V CA -2.056 60.310 62.300 0.111 0.000 0.848 247 V CB 1.519 33.434 31.823 0.153 0.000 0.998 247 V HN 0.732 nan 8.190 nan 0.000 0.424 248 P HA 0.168 nan 4.420 nan 0.000 0.267 248 P C -0.135 177.244 177.300 0.132 0.000 1.209 248 P CA 0.076 63.246 63.100 0.118 0.000 0.763 248 P CB 0.502 32.246 31.700 0.073 0.000 0.816 249 L N 6.387 127.597 121.223 -0.021 0.000 2.473 249 L HA 0.229 4.569 4.340 -0.000 0.000 0.268 249 L C -1.437 175.317 176.870 -0.193 0.000 1.215 249 L CA -1.448 53.211 54.840 -0.303 0.000 0.823 249 L CB -0.192 41.706 42.059 -0.270 0.000 1.099 249 L HN 0.316 nan 8.230 nan 0.000 0.483 250 P HA 0.044 nan 4.420 nan 0.000 0.272 250 P C -1.002 176.288 177.300 -0.016 0.000 1.240 250 P CA -0.539 62.468 63.100 -0.156 0.000 0.791 250 P CB 0.355 31.886 31.700 -0.281 0.000 0.978 251 E N 0.229 120.445 120.200 0.028 0.000 2.765 251 E HA 0.109 4.459 4.350 -0.000 0.000 0.256 251 E C 1.157 177.828 176.600 0.118 0.000 0.935 251 E CA 1.163 57.596 56.400 0.054 0.000 0.954 251 E CB -0.667 29.053 29.700 0.035 0.000 0.908 251 E HN 0.816 nan 8.360 nan 0.000 0.500 252 G N 3.280 112.113 108.800 0.055 0.000 2.148 252 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.254 252 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.254 252 G C 0.363 175.207 174.900 -0.094 0.000 0.981 252 G CA 0.202 45.294 45.100 -0.014 0.000 0.670 252 G HN 0.807 nan 8.290 nan 0.000 0.528 253 H N -0.283 118.733 119.070 -0.090 0.000 2.893 253 H HA 0.433 4.989 4.556 -0.000 0.000 0.270 253 H C 1.414 176.690 175.328 -0.086 0.000 1.095 253 H CA 0.778 56.757 56.048 -0.116 0.000 1.186 253 H CB 1.303 30.938 29.762 -0.213 0.000 1.562 253 H HN 1.344 nan 8.280 nan 0.000 0.536 254 G N 0.233 109.054 108.800 0.035 0.000 2.343 254 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.562 254 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.562 254 G C 0.449 175.339 174.900 -0.017 0.000 1.269 254 G CA -0.230 44.872 45.100 0.003 0.000 1.011 254 G HN 0.251 nan 8.290 nan 0.000 0.498 255 A N -0.497 122.303 122.820 -0.034 0.000 1.823 255 A HA 0.843 5.163 4.320 -0.000 0.000 0.214 255 A C 1.496 179.111 177.584 0.051 0.000 1.225 255 A CA 3.350 55.369 52.037 -0.030 0.000 0.604 255 A CB -0.613 18.300 19.000 -0.144 0.000 0.878 255 A HN 2.780 nan 8.150 nan 0.000 0.450 256 A N -3.177 119.739 122.820 0.161 0.000 2.540 256 A HA 0.569 4.889 4.320 -0.000 0.000 0.291 256 A C -1.541 176.150 177.584 0.180 0.000 1.083 256 A CA -0.121 52.022 52.037 0.177 0.000 0.650 256 A CB 0.429 19.562 19.000 0.222 0.000 1.292 256 A HN 0.799 nan 8.150 nan 0.000 0.435 257 V N 0.434 120.346 119.914 -0.005 0.000 2.656 257 V HA 0.662 4.782 4.120 -0.000 0.000 0.307 257 V C -0.194 175.658 176.094 -0.403 0.000 1.051 257 V CA -0.566 61.550 62.300 -0.306 0.000 0.893 257 V CB 1.766 33.206 31.823 -0.639 0.000 0.999 257 V HN 0.892 nan 8.190 nan 0.000 0.426 258 R N 3.161 123.386 120.500 -0.457 0.000 2.198 258 R HA 0.533 4.872 4.340 -0.000 0.000 0.339 258 R C -1.281 174.827 176.300 -0.321 0.000 1.020 258 R CA -0.118 55.788 56.100 -0.323 0.000 0.864 258 R CB 0.233 30.311 30.300 -0.370 0.000 1.105 258 R HN 0.477 nan 8.270 nan 0.000 0.463 259 F N 2.307 122.196 119.950 -0.102 0.000 2.385 259 F HA 0.552 5.079 4.527 -0.000 0.000 0.336 259 F C 0.601 176.380 175.800 -0.035 0.000 1.100 259 F CA -0.459 57.492 58.000 -0.081 0.000 1.116 259 F CB 2.100 41.059 39.000 -0.069 0.000 1.166 259 F HN 0.587 nan 8.300 nan 0.000 0.511 260 A N 4.465 127.418 122.820 0.221 0.000 2.943 260 A HA 0.498 4.818 4.320 -0.000 0.000 0.327 260 A C -2.230 175.423 177.584 0.116 0.000 1.141 260 A CA -1.253 50.847 52.037 0.105 0.000 0.773 260 A CB 0.315 19.323 19.000 0.013 0.000 1.143 260 A HN 0.495 nan 8.150 nan 0.000 0.463 261 P HA -0.188 nan 4.420 nan 0.000 0.221 261 P C 1.653 178.874 177.300 -0.132 0.000 1.145 261 P CA 1.991 65.095 63.100 0.006 0.000 0.795 261 P CB 0.289 31.979 31.700 -0.016 0.000 0.775 262 S N -1.310 114.358 115.700 -0.054 0.000 2.527 262 S HA -0.030 4.440 4.470 -0.000 0.000 0.222 262 S C 1.998 176.514 174.600 -0.140 0.000 0.985 262 S CA -0.017 58.171 58.200 -0.020 0.000 0.921 262 S CB -0.719 62.513 63.200 0.053 0.000 0.772 262 S HN -0.000 nan 8.310 nan 0.000 0.529 263 R N 0.772 121.179 120.500 -0.155 0.000 2.103 263 R HA -0.088 4.252 4.340 -0.000 0.000 0.242 263 R C 2.131 178.290 176.300 -0.235 0.000 1.142 263 R CA 1.713 57.722 56.100 -0.152 0.000 0.960 263 R CB -0.805 29.436 30.300 -0.097 0.000 0.858 263 R HN 0.409 nan 8.270 nan 0.000 0.439 264 V N 0.440 120.069 119.914 -0.475 0.000 2.867 264 V HA -0.175 3.945 4.120 -0.000 0.000 0.260 264 V C 0.949 176.689 176.094 -0.590 0.000 1.099 264 V CA 1.572 63.514 62.300 -0.595 0.000 1.122 264 V CB -0.302 30.984 31.823 -0.895 0.000 0.708 264 V HN 0.282 nan 8.190 nan 0.000 0.490 265 F N -0.208 119.614 119.950 -0.213 0.000 2.721 265 F HA 0.401 4.928 4.527 -0.000 0.000 0.301 265 F C 1.006 176.743 175.800 -0.104 0.000 1.096 265 F CA -0.671 57.215 58.000 -0.189 0.000 1.308 265 F CB -0.159 38.706 39.000 -0.225 0.000 1.086 265 F HN 0.139 nan 8.300 nan 0.000 0.587 266 E N 2.518 122.744 120.200 0.043 0.000 2.105 266 E HA 0.208 4.558 4.350 -0.000 0.000 0.285 266 E C -2.020 174.595 176.600 0.025 0.000 1.055 266 E CA -2.579 53.835 56.400 0.024 0.000 0.843 266 E CB 1.019 30.710 29.700 -0.015 0.000 1.067 266 E HN -0.038 nan 8.360 nan 0.000 0.398 267 P HA 0.007 nan 4.420 nan 0.000 0.222 267 P C 0.769 178.090 177.300 0.036 0.000 1.147 267 P CA 0.997 64.124 63.100 0.045 0.000 0.790 267 P CB 0.428 32.153 31.700 0.041 0.000 0.780 268 G N -0.791 108.022 108.800 0.022 0.000 2.985 268 G HA2 0.229 4.189 3.960 -0.000 0.000 0.209 268 G HA3 0.229 4.189 3.960 -0.000 0.000 0.209 268 G C 0.452 175.358 174.900 0.009 0.000 1.165 268 G CA 0.080 45.194 45.100 0.023 0.000 0.776 268 G HN 0.366 nan 8.290 nan 0.000 0.541 269 A N 0.964 123.771 122.820 -0.021 0.000 2.451 269 A HA 0.508 4.828 4.320 -0.000 0.000 0.266 269 A C 0.154 177.705 177.584 -0.056 0.000 1.119 269 A CA -0.779 51.198 52.037 -0.100 0.000 0.786 269 A CB -0.407 18.522 19.000 -0.118 0.000 1.061 269 A HN 0.566 nan 8.150 nan 0.000 0.503 270 Y N 2.716 123.012 120.300 -0.007 0.000 2.597 270 Y HA 0.430 4.980 4.550 -0.000 0.000 0.336 270 Y C -2.169 173.751 175.900 0.033 0.000 1.216 270 Y CA -3.122 54.982 58.100 0.006 0.000 1.463 270 Y CB -0.505 37.964 38.460 0.015 0.000 1.303 270 Y HN 0.500 nan 8.280 nan 0.000 0.576 271 P HA -0.005 nan 4.420 nan 0.000 0.269 271 P C -0.591 176.876 177.300 0.279 0.000 1.252 271 P CA 0.002 63.140 63.100 0.064 0.000 0.780 271 P CB 1.108 32.563 31.700 -0.409 0.000 0.829 272 S N 2.752 118.684 115.700 0.386 0.000 2.411 272 S HA 0.383 4.853 4.470 -0.000 0.000 0.294 272 S C 1.778 176.629 174.600 0.419 0.000 1.115 272 S CA -0.239 58.200 58.200 0.398 0.000 1.071 272 S CB -0.102 63.273 63.200 0.291 0.000 0.967 272 S HN 0.507 nan 8.310 nan 0.000 0.488 273 G N 3.541 112.530 108.800 0.315 0.000 2.470 273 G HA2 0.000 3.960 3.960 -0.000 0.000 0.220 273 G HA3 0.000 3.960 3.960 -0.000 0.000 0.220 273 G C 1.034 176.099 174.900 0.275 0.000 1.121 273 G CA 0.542 45.811 45.100 0.282 0.000 0.766 273 G HN 0.835 nan 8.290 nan 0.000 0.553 274 G N -1.115 107.857 108.800 0.287 0.000 3.044 274 G HA2 0.442 4.402 3.960 -0.000 0.000 0.223 274 G HA3 0.442 4.402 3.960 -0.000 0.000 0.223 274 G C 0.841 175.952 174.900 0.352 0.000 1.123 274 G CA 1.073 46.374 45.100 0.334 0.000 0.765 274 G HN 0.720 nan 8.290 nan 0.000 0.546 275 A N -0.792 122.211 122.820 0.306 0.000 2.736 275 A HA 0.503 4.823 4.320 -0.000 0.000 0.222 275 A C 1.665 179.392 177.584 0.239 0.000 1.267 275 A CA 0.916 53.118 52.037 0.274 0.000 1.026 275 A CB -0.005 19.132 19.000 0.228 0.000 1.281 275 A HN 0.394 nan 8.150 nan 0.000 0.577 276 G N -0.055 108.885 108.800 0.233 0.000 3.189 276 G HA2 0.410 4.370 3.960 -0.000 0.000 0.225 276 G HA3 0.410 4.370 3.960 -0.000 0.000 0.225 276 G C 0.459 175.369 174.900 0.017 0.000 1.159 276 G CA 0.004 45.224 45.100 0.200 0.000 0.763 276 G HN 0.369 nan 8.290 nan 0.000 0.549 277 M N 0.109 119.596 119.600 -0.187 0.000 2.494 277 M HA 0.530 5.010 4.480 -0.000 0.000 0.300 277 M C -0.332 175.931 176.300 -0.063 0.000 1.189 277 M CA -1.126 53.920 55.300 -0.423 0.000 0.982 277 M CB 1.609 33.815 32.600 -0.657 0.000 1.534 277 M HN 0.261 nan 8.290 nan 0.000 0.488 278 Y N -1.315 118.931 120.300 -0.090 0.000 2.602 278 Y HA 0.985 5.535 4.550 -0.000 0.000 0.342 278 Y C -0.446 175.434 175.900 -0.034 0.000 1.029 278 Y CA -1.096 57.028 58.100 0.039 0.000 1.080 278 Y CB 1.520 40.124 38.460 0.240 0.000 1.284 278 Y HN 0.745 nan 8.280 nan 0.000 0.485 279 G N 0.155 108.977 108.800 0.036 0.000 2.387 279 G HA2 0.458 4.418 3.960 -0.000 0.000 0.294 279 G HA3 0.458 4.418 3.960 -0.000 0.000 0.294 279 G C -1.584 173.325 174.900 0.015 0.000 1.509 279 G CA -0.598 44.458 45.100 -0.073 0.000 0.806 279 G HN 1.102 nan 8.290 nan 0.000 0.546 280 S N -0.368 115.324 115.700 -0.013 0.000 2.681 280 S HA 0.665 5.135 4.470 -0.000 0.000 0.270 280 S C 1.732 176.321 174.600 -0.017 0.000 1.209 280 S CA 0.530 58.745 58.200 0.025 0.000 0.988 280 S CB 1.628 64.820 63.200 -0.013 0.000 1.006 280 S HN 1.964 nan 8.310 nan 0.000 0.558 281 A N 0.528 123.342 122.820 -0.011 0.000 1.930 281 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 281 A C 1.719 179.245 177.584 -0.096 0.000 1.175 281 A CA 1.504 53.482 52.037 -0.099 0.000 0.627 281 A CB -1.068 17.874 19.000 -0.097 0.000 0.815 281 A HN 0.842 nan 8.150 nan 0.000 0.443 282 D N 0.321 120.678 120.400 -0.072 0.000 2.117 282 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 282 D C 1.332 177.575 176.300 -0.096 0.000 0.987 282 D CA 1.429 55.382 54.000 -0.078 0.000 0.829 282 D CB -0.392 40.371 40.800 -0.062 0.000 0.961 282 D HN 0.349 nan 8.370 nan 0.000 0.460 283 D N -0.118 120.224 120.400 -0.096 0.000 2.123 283 D HA -0.103 4.536 4.640 -0.000 0.000 0.196 283 D C 2.246 178.458 176.300 -0.147 0.000 0.992 283 D CA 0.413 54.343 54.000 -0.115 0.000 0.833 283 D CB -0.236 40.496 40.800 -0.113 0.000 0.954 283 D HN 0.043 nan 8.370 nan 0.000 0.455 284 V N 0.781 120.599 119.914 -0.159 0.000 2.343 284 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 284 V C 2.421 178.384 176.094 -0.218 0.000 1.051 284 V CA 0.988 63.166 62.300 -0.204 0.000 1.036 284 V CB -0.397 31.297 31.823 -0.216 0.000 0.654 284 V HN 0.165 nan 8.190 nan 0.000 0.451 285 L N 0.157 121.277 121.223 -0.172 0.000 2.083 285 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 285 L C 2.565 179.339 176.870 -0.160 0.000 1.083 285 L CA 1.844 56.591 54.840 -0.156 0.000 0.752 285 L CB -0.634 41.356 42.059 -0.114 0.000 0.899 285 L HN 0.199 nan 8.230 nan 0.000 0.433 286 R N -0.745 119.662 120.500 -0.156 0.000 2.081 286 R HA -0.128 4.212 4.340 -0.000 0.000 0.235 286 R C 2.235 178.407 176.300 -0.214 0.000 1.131 286 R CA 1.353 57.354 56.100 -0.165 0.000 0.960 286 R CB -0.663 29.547 30.300 -0.150 0.000 0.856 286 R HN 0.517 nan 8.270 nan 0.000 0.436 287 A N 1.280 123.962 122.820 -0.231 0.000 1.898 287 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 287 A C 2.208 179.632 177.584 -0.267 0.000 1.181 287 A CA 1.024 52.905 52.037 -0.260 0.000 0.620 287 A CB -0.507 18.349 19.000 -0.240 0.000 0.819 287 A HN 0.153 nan 8.150 nan 0.000 0.442 288 L N -0.611 120.434 121.223 -0.297 0.000 2.046 288 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 288 L C 2.632 179.399 176.870 -0.172 0.000 1.077 288 L CA 1.316 55.975 54.840 -0.300 0.000 0.747 288 L CB -0.673 41.193 42.059 -0.321 0.000 0.896 288 L HN 0.375 nan 8.230 nan 0.000 0.432 289 E N 0.347 120.454 120.200 -0.154 0.000 2.106 289 E HA -0.170 4.180 4.350 -0.000 0.000 0.192 289 E C 2.295 178.832 176.600 -0.105 0.000 0.984 289 E CA 1.315 57.650 56.400 -0.108 0.000 0.806 289 E CB -0.091 29.548 29.700 -0.101 0.000 0.750 289 E HN 0.456 nan 8.360 nan 0.000 0.458 290 A N 1.109 123.829 122.820 -0.167 0.000 1.933 290 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 290 A C 2.295 179.833 177.584 -0.077 0.000 1.175 290 A CA 0.970 52.892 52.037 -0.192 0.000 0.628 290 A CB -0.551 18.176 19.000 -0.456 0.000 0.814 290 A HN 0.148 nan 8.150 nan 0.000 0.444 291 I N -1.225 119.301 120.570 -0.073 0.000 2.163 291 I HA -0.232 3.938 4.170 -0.000 0.000 0.240 291 I C 2.736 178.869 176.117 0.028 0.000 1.081 291 I CA 1.630 62.932 61.300 0.004 0.000 1.353 291 I CB -0.313 37.673 38.000 -0.023 0.000 1.054 291 I HN 0.358 nan 8.210 nan 0.000 0.407 292 R N 1.041 121.545 120.500 0.006 0.000 2.080 292 R HA -0.173 4.167 4.340 -0.000 0.000 0.236 292 R C 2.072 178.391 176.300 0.031 0.000 1.137 292 R CA 1.976 58.092 56.100 0.026 0.000 0.943 292 R CB -0.217 30.086 30.300 0.005 0.000 0.846 292 R HN 0.373 nan 8.270 nan 0.000 0.431 293 A N 0.292 123.123 122.820 0.019 0.000 2.220 293 A HA 0.017 4.337 4.320 -0.000 0.000 0.211 293 A C 0.418 178.030 177.584 0.047 0.000 1.176 293 A CA 0.192 52.250 52.037 0.035 0.000 0.834 293 A CB -0.101 18.916 19.000 0.028 0.000 0.868 293 A HN 0.601 nan 8.150 nan 0.000 0.488 294 N N 0.701 119.434 118.700 0.056 0.000 2.725 294 N HA -0.122 4.618 4.740 -0.000 0.000 0.280 294 N C -2.367 173.200 175.510 0.095 0.000 1.017 294 N CA 0.859 53.968 53.050 0.098 0.000 0.813 294 N CB -0.415 38.138 38.487 0.110 0.000 0.931 294 N HN 0.353 nan 8.380 nan 0.000 0.570 295 P HA 0.283 nan 4.420 nan 0.000 0.241 295 P C 0.733 178.097 177.300 0.107 0.000 1.780 295 P CA 0.363 63.509 63.100 0.075 0.000 1.111 295 P CB 0.159 31.888 31.700 0.048 0.000 1.852 296 G N 2.198 111.060 108.800 0.103 0.000 2.168 296 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.257 296 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.257 296 G C 0.331 175.310 174.900 0.131 0.000 0.997 296 G CA 0.114 45.270 45.100 0.094 0.000 0.708 296 G HN 0.429 nan 8.290 nan 0.000 0.520 297 F N -0.080 119.876 119.950 0.011 0.000 2.270 297 F HA 0.513 5.040 4.527 -0.000 0.000 0.295 297 F C 1.182 176.991 175.800 0.014 0.000 1.087 297 F CA 0.849 58.855 58.000 0.010 0.000 1.365 297 F CB 0.227 39.231 39.000 0.006 0.000 1.056 297 F HN 0.138 nan 8.300 nan 0.000 0.506 298 L N 0.804 122.026 121.223 -0.002 0.000 2.409 298 L HA 0.384 4.724 4.340 -0.000 0.000 0.262 298 L C -2.411 174.464 176.870 0.009 0.000 0.992 298 L CA -2.319 52.489 54.840 -0.053 0.000 0.817 298 L CB 2.131 44.203 42.059 0.022 0.000 1.350 298 L HN -0.275 nan 8.230 nan 0.000 0.411 299 P HA 0.042 nan 4.420 nan 0.000 0.265 299 P C -0.153 177.169 177.300 0.036 0.000 1.193 299 P CA -0.028 63.082 63.100 0.015 0.000 0.765 299 P CB 0.912 32.618 31.700 0.009 0.000 0.823 300 E N 1.489 121.712 120.200 0.038 0.000 2.108 300 E HA -0.265 4.085 4.350 -0.000 0.000 0.203 300 E C 1.950 178.577 176.600 0.046 0.000 1.022 300 E CA 2.844 59.270 56.400 0.043 0.000 0.823 300 E CB -1.267 28.454 29.700 0.036 0.000 0.744 300 E HN 0.673 nan 8.360 nan 0.000 0.456 301 T N -0.382 114.198 114.554 0.042 0.000 2.746 301 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 301 T C 1.868 176.607 174.700 0.065 0.000 1.039 301 T CA 1.180 63.307 62.100 0.046 0.000 1.142 301 T CB -0.394 68.499 68.868 0.041 0.000 0.866 301 T HN 0.091 nan 8.240 nan 0.000 0.444 302 L N 1.860 123.128 121.223 0.075 0.000 2.056 302 L HA 0.279 4.619 4.340 -0.000 0.000 0.207 302 L C 2.875 179.820 176.870 0.126 0.000 1.078 302 L CA 1.689 56.596 54.840 0.112 0.000 0.749 302 L CB -1.338 40.774 42.059 0.088 0.000 0.901 302 L HN 0.376 nan 8.230 nan 0.000 0.433 303 A N -0.780 122.098 122.820 0.097 0.000 1.902 303 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 303 A C 1.983 179.615 177.584 0.080 0.000 1.181 303 A CA 1.886 53.984 52.037 0.101 0.000 0.623 303 A CB -0.823 18.233 19.000 0.093 0.000 0.818 303 A HN 0.511 nan 8.150 nan 0.000 0.443 304 D N 0.124 120.559 120.400 0.059 0.000 2.117 304 D HA -0.048 4.592 4.640 -0.000 0.000 0.197 304 D C 2.243 178.547 176.300 0.007 0.000 0.987 304 D CA 1.560 55.581 54.000 0.035 0.000 0.829 304 D CB -0.518 40.301 40.800 0.030 0.000 0.961 304 D HN 0.417 nan 8.370 nan 0.000 0.460 305 A N 1.064 123.890 122.820 0.010 0.000 1.908 305 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 305 A C 2.310 179.743 177.584 -0.251 0.000 1.181 305 A CA 2.325 54.316 52.037 -0.076 0.000 0.627 305 A CB -0.786 18.233 19.000 0.030 0.000 0.818 305 A HN 0.240 nan 8.150 nan 0.000 0.445 306 A N -0.526 122.263 122.820 -0.051 0.000 1.972 306 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 306 A C 2.167 179.741 177.584 -0.016 0.000 1.169 306 A CA 1.485 53.541 52.037 0.031 0.000 0.635 306 A CB -0.325 18.828 19.000 0.256 0.000 0.810 306 A HN 0.561 nan 8.150 nan 0.000 0.446 307 R N -1.456 119.040 120.500 -0.006 0.000 2.312 307 R HA 0.164 4.504 4.340 -0.000 0.000 0.205 307 R C 0.941 177.230 176.300 -0.020 0.000 0.904 307 R CA -0.172 55.937 56.100 0.014 0.000 1.052 307 R CB 0.185 30.515 30.300 0.051 0.000 1.014 307 R HN 0.416 nan 8.270 nan 0.000 0.503 308 R N 1.456 121.918 120.500 -0.064 0.000 2.500 308 R HA 0.032 4.372 4.340 -0.000 0.000 0.277 308 R C -0.683 175.573 176.300 -0.073 0.000 1.026 308 R CA -0.508 55.556 56.100 -0.060 0.000 1.058 308 R CB 0.767 31.029 30.300 -0.063 0.000 1.078 308 R HN -0.202 nan 8.270 nan 0.000 0.509 309 D N 2.089 122.466 120.400 -0.038 0.000 2.382 309 D HA -0.022 4.618 4.640 -0.000 0.000 0.259 309 D C -0.040 176.264 176.300 0.008 0.000 1.224 309 D CA 0.427 54.419 54.000 -0.014 0.000 0.894 309 D CB 1.121 41.914 40.800 -0.012 0.000 1.127 309 D HN 0.440 nan 8.370 nan 0.000 0.487 310 Q N 2.562 122.389 119.800 0.046 0.000 2.281 310 Q HA 0.203 4.543 4.340 -0.000 0.000 0.215 310 Q C 0.764 176.875 176.000 0.185 0.000 0.867 310 Q CA 0.117 55.987 55.803 0.111 0.000 0.940 310 Q CB 1.157 29.952 28.738 0.095 0.000 1.111 310 Q HN 0.569 nan 8.270 nan 0.000 0.513 311 A N 0.283 123.200 122.820 0.162 0.000 2.013 311 A HA 0.543 4.862 4.320 -0.000 0.000 0.204 311 A C 0.887 178.520 177.584 0.082 0.000 1.262 311 A CA 0.863 53.001 52.037 0.168 0.000 0.800 311 A CB 0.431 19.541 19.000 0.184 0.000 0.909 311 A HN 0.293 nan 8.150 nan 0.000 0.472 312 G N -1.392 107.428 108.800 0.034 0.000 2.617 312 G HA2 0.116 4.076 3.960 -0.000 0.000 0.686 312 G HA3 0.116 4.076 3.960 -0.000 0.000 0.686 312 G C 0.542 175.427 174.900 -0.025 0.000 1.214 312 G CA 0.081 45.185 45.100 0.006 0.000 0.796 312 G HN 1.343 nan 8.290 nan 0.000 0.654 313 V N -0.353 119.540 119.914 -0.034 0.000 2.594 313 V HA 0.148 4.268 4.120 -0.000 0.000 0.253 313 V C 2.824 178.897 176.094 -0.035 0.000 1.069 313 V CA 2.694 64.966 62.300 -0.047 0.000 1.082 313 V CB -1.185 30.602 31.823 -0.060 0.000 0.680 313 V HN 2.092 nan 8.190 nan 0.000 0.469 314 G N 0.337 109.122 108.800 -0.024 0.000 2.450 314 G HA2 -0.186 3.773 3.960 -0.000 0.000 0.220 314 G HA3 -0.186 3.773 3.960 -0.000 0.000 0.220 314 G C 1.680 176.574 174.900 -0.010 0.000 1.130 314 G CA 1.147 46.239 45.100 -0.013 0.000 0.760 314 G HN 0.868 nan 8.290 nan 0.000 0.557 315 A N 0.531 123.331 122.820 -0.032 0.000 2.019 315 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 315 A C 1.274 178.793 177.584 -0.110 0.000 1.164 315 A CA 1.405 53.405 52.037 -0.062 0.000 0.644 315 A CB -0.346 18.507 19.000 -0.246 0.000 0.805 315 A HN 0.543 nan 8.150 nan 0.000 0.449 316 E N -0.614 119.538 120.200 -0.080 0.000 2.238 316 E HA -0.254 4.096 4.350 -0.000 0.000 0.219 316 E C 0.997 177.539 176.600 -0.096 0.000 1.275 316 E CA 0.409 56.796 56.400 -0.022 0.000 0.714 316 E CB -2.177 27.529 29.700 0.008 0.000 1.154 316 E HN 0.928 nan 8.360 nan 0.000 0.363 317 T N -2.007 112.381 114.554 -0.277 0.000 2.778 317 T HA -0.227 4.123 4.350 -0.000 0.000 0.269 317 T C 1.272 175.879 174.700 -0.154 0.000 1.050 317 T CA 1.243 63.070 62.100 -0.456 0.000 1.137 317 T CB 0.014 68.481 68.868 -0.667 0.000 0.860 317 T HN 0.343 nan 8.240 nan 0.000 0.468 318 R N 1.198 121.555 120.500 -0.238 0.000 2.776 318 R HA 0.521 4.861 4.340 -0.000 0.000 0.391 318 R C 0.819 176.969 176.300 -0.251 0.000 1.116 318 R CA -0.008 55.794 56.100 -0.496 0.000 1.056 318 R CB 0.796 30.350 30.300 -1.242 0.000 1.369 318 R HN 0.567 nan 8.270 nan 0.000 0.590 319 G N 2.273 111.027 108.800 -0.078 0.000 2.660 319 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.247 319 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.247 319 G C -2.789 172.191 174.900 0.134 0.000 1.328 319 G CA -1.183 43.928 45.100 0.019 0.000 0.884 319 G HN 0.081 nan 8.290 nan 0.000 0.531 320 P HA 0.350 nan 4.420 nan 0.000 0.269 320 P C 1.094 178.425 177.300 0.053 0.000 1.209 320 P CA 1.970 65.106 63.100 0.059 0.000 0.776 320 P CB 0.738 32.445 31.700 0.011 0.000 0.876 321 G N 0.819 109.590 108.800 -0.048 0.000 2.195 321 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.246 321 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.246 321 G C -0.657 174.043 174.900 -0.334 0.000 0.984 321 G CA -0.447 44.523 45.100 -0.217 0.000 0.633 321 G HN 0.451 nan 8.290 nan 0.000 0.525 322 W N 0.881 122.113 121.300 -0.114 0.000 2.429 322 W HA 0.663 5.323 4.660 -0.000 0.000 0.314 322 W C 0.760 177.178 176.519 -0.169 0.000 1.062 322 W CA -0.029 57.239 57.345 -0.129 0.000 1.211 322 W CB 1.706 31.093 29.460 -0.122 0.000 1.305 322 W HN 0.394 nan 8.180 nan 0.000 0.476 323 G N 1.177 110.030 108.800 0.088 0.000 2.857 323 G HA2 0.728 4.688 3.960 -0.000 0.000 0.217 323 G HA3 0.728 4.688 3.960 -0.000 0.000 0.217 323 G C -2.061 172.846 174.900 0.013 0.000 1.357 323 G CA -0.573 44.515 45.100 -0.019 0.000 1.033 323 G HN 0.328 nan 8.290 nan 0.000 0.571 324 F N -1.366 118.491 119.950 -0.155 0.000 2.628 324 F HA 0.581 5.108 4.527 -0.000 0.000 0.309 324 F C 0.502 176.313 175.800 0.019 0.000 1.108 324 F CA -0.106 57.845 58.000 -0.082 0.000 0.971 324 F CB 1.914 40.854 39.000 -0.101 0.000 1.279 324 F HN 0.770 nan 8.300 nan 0.000 0.441 325 G N 1.964 110.717 108.800 -0.079 0.000 3.271 325 G HA2 0.131 4.091 3.960 -0.000 0.000 0.174 325 G HA3 0.131 4.091 3.960 -0.000 0.000 0.174 325 G C -0.544 174.473 174.900 0.195 0.000 1.385 325 G CA 0.086 45.166 45.100 -0.033 0.000 0.979 325 G HN 0.523 nan 8.290 nan 0.000 0.610 326 Y N -0.339 120.022 120.300 0.101 0.000 2.467 326 Y HA 0.429 4.979 4.550 -0.000 0.000 0.250 326 Y C 1.853 177.834 175.900 0.135 0.000 1.155 326 Y CA -0.118 58.062 58.100 0.134 0.000 1.249 326 Y CB 0.282 38.796 38.460 0.090 0.000 1.146 326 Y HN 0.103 nan 8.280 nan 0.000 0.524 327 L N -1.877 119.461 121.223 0.192 0.000 2.902 327 L HA 0.286 4.626 4.340 -0.000 0.000 0.254 327 L C 0.522 177.428 176.870 0.060 0.000 1.115 327 L CA 0.347 55.289 54.840 0.171 0.000 0.947 327 L CB 0.465 42.633 42.059 0.182 0.000 1.369 327 L HN -0.003 nan 8.230 nan 0.000 0.538 328 S N -0.999 114.438 115.700 -0.437 0.000 2.671 328 S HA 0.686 5.156 4.470 -0.000 0.000 0.270 328 S C -0.898 172.800 174.600 -1.503 0.000 1.166 328 S CA -0.471 57.260 58.200 -0.782 0.000 0.868 328 S CB 0.870 64.082 63.200 0.021 0.000 1.190 328 S HN 0.026 nan 8.310 nan 0.000 0.494 329 A N 0.134 122.482 122.820 -0.786 0.000 2.351 329 A HA 0.700 5.020 4.320 -0.000 0.000 0.257 329 A C -0.356 177.222 177.584 -0.009 0.000 1.087 329 A CA -0.481 51.376 52.037 -0.301 0.000 0.798 329 A CB 0.111 19.150 19.000 0.065 0.000 1.033 329 A HN 1.302 nan 8.150 nan 0.000 0.488 330 V N 2.633 122.628 119.914 0.135 0.000 2.483 330 V HA 0.275 4.395 4.120 -0.000 0.000 0.297 330 V C -0.426 175.710 176.094 0.071 0.000 1.027 330 V CA -0.544 61.826 62.300 0.117 0.000 0.855 330 V CB 1.359 33.182 31.823 -0.000 0.000 0.995 330 V HN 0.827 nan 8.190 nan 0.000 0.424 331 L N 4.234 125.348 121.223 -0.182 0.000 2.433 331 L HA 0.350 4.690 4.340 -0.000 0.000 0.275 331 L C 0.851 177.468 176.870 -0.422 0.000 1.128 331 L CA 0.916 55.295 54.840 -0.767 0.000 0.875 331 L CB 0.440 41.886 42.059 -1.021 0.000 1.171 331 L HN 0.623 nan 8.230 nan 0.000 0.463 332 D N 2.026 122.191 120.400 -0.392 0.000 2.323 332 D HA 0.060 4.700 4.640 -0.000 0.000 0.218 332 D C -0.236 175.912 176.300 -0.254 0.000 0.973 332 D CA 0.707 54.562 54.000 -0.240 0.000 0.890 332 D CB 0.431 41.134 40.800 -0.163 0.000 1.011 332 D HN 0.528 nan 8.370 nan 0.000 0.499 333 D N -0.278 119.921 120.400 -0.336 0.000 2.389 333 D HA 0.196 4.836 4.640 -0.000 0.000 0.256 333 D C -2.025 174.067 176.300 -0.348 0.000 1.239 333 D CA -2.030 51.802 54.000 -0.280 0.000 0.925 333 D CB 2.368 43.042 40.800 -0.210 0.000 1.145 333 D HN -0.242 nan 8.370 nan 0.000 0.542 334 P HA -0.097 nan 4.420 nan 0.000 0.215 334 P C 1.157 178.304 177.300 -0.256 0.000 1.153 334 P CA 1.350 64.249 63.100 -0.336 0.000 0.853 334 P CB 0.383 31.895 31.700 -0.313 0.000 0.788 335 A N 0.090 122.788 122.820 -0.203 0.000 1.883 335 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 335 A C 2.331 179.835 177.584 -0.134 0.000 1.186 335 A CA 2.437 54.382 52.037 -0.153 0.000 0.624 335 A CB -1.685 17.239 19.000 -0.125 0.000 0.822 335 A HN 0.201 nan 8.150 nan 0.000 0.444 336 A N -0.565 122.171 122.820 -0.141 0.000 1.969 336 A HA 0.254 4.574 4.320 -0.000 0.000 0.218 336 A C 2.346 179.872 177.584 -0.097 0.000 1.169 336 A CA 1.793 53.765 52.037 -0.109 0.000 0.635 336 A CB -0.780 18.154 19.000 -0.109 0.000 0.810 336 A HN 1.115 nan 8.150 nan 0.000 0.445 337 A N -1.403 121.324 122.820 -0.155 0.000 2.206 337 A HA 0.387 4.707 4.320 -0.000 0.000 0.211 337 A C 1.780 179.339 177.584 -0.042 0.000 1.158 337 A CA 1.169 53.153 52.037 -0.088 0.000 0.761 337 A CB -1.071 17.746 19.000 -0.305 0.000 0.801 337 A HN 1.877 nan 8.150 nan 0.000 0.473 338 G N -0.720 108.025 108.800 -0.093 0.000 2.273 338 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.280 338 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.280 338 G C 0.269 175.106 174.900 -0.105 0.000 1.047 338 G CA 0.843 45.892 45.100 -0.084 0.000 0.869 338 G HN 1.159 nan 8.290 nan 0.000 0.502 339 T N -0.709 113.746 114.554 -0.164 0.000 2.907 339 T HA 0.733 5.083 4.350 -0.000 0.000 0.292 339 T C -1.132 173.369 174.700 -0.332 0.000 1.043 339 T CA -1.019 60.948 62.100 -0.223 0.000 1.003 339 T CB 2.166 70.909 68.868 -0.209 0.000 1.084 339 T HN -0.056 nan 8.240 nan 0.000 0.483 340 P HA 0.086 nan 4.420 nan 0.000 0.245 340 P C 0.034 176.827 177.300 -0.844 0.000 1.206 340 P CA 0.152 62.905 63.100 -0.579 0.000 0.781 340 P CB 0.308 31.666 31.700 -0.571 0.000 0.994 341 Q N 0.223 119.534 119.800 -0.816 0.000 2.361 341 Q HA 0.057 4.397 4.340 -0.000 0.000 0.276 341 Q C -0.135 175.699 176.000 -0.277 0.000 1.022 341 Q CA 0.110 55.591 55.803 -0.535 0.000 0.898 341 Q CB 0.114 28.606 28.738 -0.409 0.000 1.246 341 Q HN 0.322 nan 8.270 nan 0.000 0.410 342 H N 0.124 119.112 119.070 -0.137 0.000 2.551 342 H HA 0.324 4.880 4.556 -0.000 0.000 0.358 342 H C -0.157 175.092 175.328 -0.133 0.000 1.151 342 H CA -0.045 55.943 56.048 -0.100 0.000 1.374 342 H CB 0.656 30.415 29.762 -0.005 0.000 1.473 342 H HN 0.756 nan 8.280 nan 0.000 0.574 343 A N 1.273 124.070 122.820 -0.038 0.000 2.561 343 A HA 0.381 4.701 4.320 -0.000 0.000 0.234 343 A C 1.572 179.135 177.584 -0.035 0.000 1.055 343 A CA 0.750 52.727 52.037 -0.100 0.000 0.756 343 A CB -0.908 18.038 19.000 -0.091 0.000 0.986 343 A HN 1.173 nan 8.150 nan 0.000 0.505 344 G N 1.444 110.204 108.800 -0.067 0.000 2.194 344 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.236 344 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.236 344 G C 0.482 175.403 174.900 0.036 0.000 0.987 344 G CA 0.357 45.451 45.100 -0.009 0.000 0.635 344 G HN 1.206 nan 8.290 nan 0.000 0.520 345 T N 2.040 116.609 114.554 0.026 0.000 2.928 345 T HA 0.473 4.823 4.350 -0.000 0.000 0.305 345 T C 0.722 175.552 174.700 0.216 0.000 1.035 345 T CA 0.328 62.507 62.100 0.132 0.000 1.145 345 T CB 0.753 69.679 68.868 0.097 0.000 0.963 345 T HN 0.357 nan 8.240 nan 0.000 0.545 346 L N 3.556 124.950 121.223 0.286 0.000 2.322 346 L HA 0.663 5.003 4.340 -0.000 0.000 0.279 346 L C 0.084 177.034 176.870 0.133 0.000 1.036 346 L CA -0.652 54.349 54.840 0.269 0.000 0.807 346 L CB 1.425 43.712 42.059 0.380 0.000 1.226 346 L HN 0.634 nan 8.230 nan 0.000 0.433 347 Q N 2.623 122.319 119.800 -0.174 0.000 2.426 347 Q HA 0.439 4.779 4.340 -0.000 0.000 0.278 347 Q C -2.162 173.501 176.000 -0.561 0.000 1.007 347 Q CA -0.596 54.825 55.803 -0.636 0.000 0.850 347 Q CB 2.752 31.294 28.738 -0.326 0.000 1.427 347 Q HN 0.705 nan 8.270 nan 0.000 0.391 348 W N 1.420 121.961 121.300 -1.264 0.000 2.799 348 W HA 0.620 5.280 4.660 -0.000 0.000 0.416 348 W C -1.338 174.896 176.519 -0.475 0.000 1.108 348 W CA -0.059 56.914 57.345 -0.620 0.000 1.169 348 W CB 1.325 30.714 29.460 -0.119 0.000 1.471 348 W HN 0.860 nan 8.180 nan 0.000 0.586 349 G N -0.081 108.429 108.800 -0.483 0.000 2.846 349 G HA2 0.649 4.609 3.960 -0.000 0.000 0.299 349 G HA3 0.649 4.609 3.960 -0.000 0.000 0.299 349 G C -1.330 173.646 174.900 0.126 0.000 1.242 349 G CA 0.019 45.046 45.100 -0.121 0.000 0.800 349 G HN 0.839 nan 8.290 nan 0.000 0.538 350 G N -1.308 107.587 108.800 0.159 0.000 2.753 350 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 350 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 350 G C 0.696 175.659 174.900 0.104 0.000 1.430 350 G CA 0.470 45.715 45.100 0.241 0.000 1.040 350 G HN 1.565 nan 8.290 nan 0.000 0.530 351 V N -0.379 119.615 119.914 0.132 0.000 2.867 351 V HA -0.115 4.004 4.120 -0.000 0.000 0.260 351 V C 1.688 177.904 176.094 0.203 0.000 1.099 351 V CA 1.275 63.700 62.300 0.210 0.000 1.122 351 V CB -1.156 30.751 31.823 0.140 0.000 0.708 351 V HN 0.626 nan 8.190 nan 0.000 0.490 352 Y N 2.231 122.581 120.300 0.083 0.000 2.583 352 Y HA 0.436 4.986 4.550 -0.000 0.000 0.293 352 Y C 1.937 177.668 175.900 -0.280 0.000 1.157 352 Y CA 0.557 58.603 58.100 -0.089 0.000 1.315 352 Y CB -0.108 38.319 38.460 -0.055 0.000 1.021 352 Y HN 0.539 nan 8.280 nan 0.000 0.536 353 G N -0.042 108.635 108.800 -0.204 0.000 2.337 353 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.134 353 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.134 353 G C -0.676 174.206 174.900 -0.030 0.000 1.052 353 G CA -0.634 44.424 45.100 -0.070 0.000 0.737 353 G HN 0.523 nan 8.290 nan 0.000 0.485 354 H N -0.460 118.703 119.070 0.156 0.000 2.679 354 H HA 0.850 5.406 4.556 -0.000 0.000 0.367 354 H C -0.150 175.234 175.328 0.092 0.000 1.162 354 H CA -0.490 55.629 56.048 0.119 0.000 1.181 354 H CB 2.383 32.235 29.762 0.150 0.000 1.693 354 H HN 0.337 nan 8.280 nan 0.000 0.538 355 S N 2.397 118.242 115.700 0.243 0.000 2.543 355 S HA 0.434 4.904 4.470 -0.000 0.000 0.271 355 S C -2.013 172.717 174.600 0.217 0.000 1.148 355 S CA -0.791 57.482 58.200 0.121 0.000 0.914 355 S CB 0.935 64.176 63.200 0.069 0.000 1.096 355 S HN 0.745 nan 8.310 nan 0.000 0.471 356 W N 3.563 124.939 121.300 0.128 0.000 3.118 356 W HA 0.778 5.438 4.660 -0.000 0.000 0.328 356 W C -2.465 174.192 176.519 0.230 0.000 1.239 356 W CA -1.395 56.002 57.345 0.086 0.000 1.176 356 W CB 0.649 30.136 29.460 0.044 0.000 1.433 356 W HN 0.780 nan 8.180 nan 0.000 0.562 357 F N -0.225 119.959 119.950 0.391 0.000 2.665 357 F HA 0.675 5.202 4.527 -0.000 0.000 0.308 357 F C -2.244 173.806 175.800 0.416 0.000 1.112 357 F CA -1.620 56.535 58.000 0.258 0.000 0.972 357 F CB 0.944 40.001 39.000 0.096 0.000 1.295 357 F HN 0.145 nan 8.300 nan 0.000 0.440 358 V N 2.538 122.842 119.914 0.650 0.000 2.325 358 V HA 0.266 4.386 4.120 -0.000 0.000 0.280 358 V C -0.953 175.393 176.094 0.420 0.000 1.016 358 V CA -0.426 62.127 62.300 0.422 0.000 0.818 358 V CB 1.053 33.081 31.823 0.340 0.000 1.019 358 V HN 0.802 nan 8.190 nan 0.000 0.434 359 D N 4.451 125.117 120.400 0.442 0.000 2.422 359 D HA 0.203 4.843 4.640 -0.000 0.000 0.227 359 D C 1.389 177.780 176.300 0.151 0.000 1.190 359 D CA -0.177 54.025 54.000 0.336 0.000 0.905 359 D CB 0.728 41.795 40.800 0.445 0.000 1.034 359 D HN 0.420 nan 8.370 nan 0.000 0.507 360 R N 2.451 123.022 120.500 0.118 0.000 2.096 360 R HA -0.189 4.151 4.340 -0.000 0.000 0.240 360 R C 2.014 178.317 176.300 0.004 0.000 1.139 360 R CA 1.677 57.809 56.100 0.054 0.000 0.952 360 R CB -0.216 30.125 30.300 0.068 0.000 0.854 360 R HN 0.437 nan 8.270 nan 0.000 0.436 361 A N 1.061 123.875 122.820 -0.009 0.000 1.940 361 A HA -0.109 4.211 4.320 -0.000 0.000 0.219 361 A C 1.995 179.509 177.584 -0.117 0.000 1.176 361 A CA 1.225 53.223 52.037 -0.065 0.000 0.631 361 A CB -0.324 18.608 19.000 -0.113 0.000 0.814 361 A HN 0.216 nan 8.150 nan 0.000 0.446 362 L N -1.421 119.705 121.223 -0.162 0.000 2.607 362 L HA 0.226 4.566 4.340 -0.000 0.000 0.228 362 L C 1.578 178.291 176.870 -0.262 0.000 1.123 362 L CA 0.401 55.152 54.840 -0.149 0.000 0.890 362 L CB -0.170 41.813 42.059 -0.127 0.000 1.103 362 L HN 0.563 nan 8.230 nan 0.000 0.468 363 G N 1.098 109.683 108.800 -0.358 0.000 2.168 363 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.257 363 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.257 363 G C 0.179 174.860 174.900 -0.364 0.000 0.997 363 G CA 0.040 44.736 45.100 -0.674 0.000 0.708 363 G HN 0.261 nan 8.290 nan 0.000 0.520 364 L N 0.856 121.981 121.223 -0.164 0.000 2.326 364 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 364 L C 0.272 177.114 176.870 -0.047 0.000 1.092 364 L CA -0.278 54.510 54.840 -0.086 0.000 0.810 364 L CB 1.708 43.759 42.059 -0.013 0.000 1.153 364 L HN 0.116 nan 8.230 nan 0.000 0.439 365 S N 2.392 118.032 115.700 -0.100 0.000 2.659 365 S HA 0.531 5.001 4.470 -0.000 0.000 0.312 365 S C -0.598 173.880 174.600 -0.204 0.000 1.114 365 S CA -0.492 57.646 58.200 -0.103 0.000 1.063 365 S CB 1.679 64.833 63.200 -0.077 0.000 0.996 365 S HN 0.244 nan 8.310 nan 0.000 0.478 366 V N 4.857 124.533 119.914 -0.396 0.000 2.444 366 V HA 0.626 4.746 4.120 -0.000 0.000 0.294 366 V C -0.672 175.282 176.094 -0.233 0.000 1.022 366 V CA -0.703 61.318 62.300 -0.465 0.000 0.850 366 V CB 1.437 32.648 31.823 -1.020 0.000 0.992 366 V HN 0.718 nan 8.190 nan 0.000 0.426 367 L N 5.929 127.111 121.223 -0.068 0.000 2.408 367 L HA 0.847 5.187 4.340 -0.000 0.000 0.268 367 L C -1.500 175.403 176.870 0.054 0.000 0.986 367 L CA -0.534 54.326 54.840 0.033 0.000 0.820 367 L CB 1.932 43.983 42.059 -0.013 0.000 1.303 367 L HN 0.611 nan 8.230 nan 0.000 0.411 368 L N 5.530 126.805 121.223 0.087 0.000 2.404 368 L HA 0.630 4.970 4.340 -0.000 0.000 0.272 368 L C -1.867 175.017 176.870 0.023 0.000 0.980 368 L CA -0.149 54.750 54.840 0.099 0.000 0.836 368 L CB 1.537 43.697 42.059 0.168 0.000 1.238 368 L HN 0.592 nan 8.230 nan 0.000 0.408 369 L N 4.872 125.986 121.223 -0.181 0.000 2.333 369 L HA 0.750 5.090 4.340 -0.000 0.000 0.280 369 L C 0.065 176.767 176.870 -0.280 0.000 1.004 369 L CA -0.388 54.154 54.840 -0.497 0.000 0.820 369 L CB 1.989 43.197 42.059 -1.420 0.000 1.247 369 L HN 0.760 nan 8.230 nan 0.000 0.416 370 T N -1.454 113.245 114.554 0.241 0.000 2.864 370 T HA 0.358 4.708 4.350 -0.000 0.000 0.289 370 T C 0.049 175.064 174.700 0.525 0.000 1.082 370 T CA -0.781 61.542 62.100 0.372 0.000 1.009 370 T CB 1.792 70.817 68.868 0.261 0.000 1.234 370 T HN 0.566 nan 8.240 nan 0.000 0.526 371 N N -0.847 118.101 118.700 0.414 0.000 2.275 371 N HA 0.206 4.946 4.740 -0.000 0.000 0.236 371 N C -0.670 174.993 175.510 0.255 0.000 1.154 371 N CA -0.518 52.738 53.050 0.344 0.000 0.866 371 N CB 0.367 39.048 38.487 0.325 0.000 1.093 371 N HN 0.584 nan 8.380 nan 0.000 0.515 372 T N 0.315 114.972 114.554 0.173 0.000 2.977 372 T HA 0.612 4.962 4.350 -0.000 0.000 0.346 372 T C -0.402 174.301 174.700 0.004 0.000 1.140 372 T CA -0.646 61.507 62.100 0.088 0.000 1.040 372 T CB 0.927 69.836 68.868 0.069 0.000 1.046 372 T HN 0.360 nan 8.240 nan 0.000 0.494 373 A N 2.465 125.210 122.820 -0.125 0.000 2.362 373 A HA 0.569 4.889 4.320 -0.000 0.000 0.276 373 A C -0.236 177.061 177.584 -0.478 0.000 1.153 373 A CA -0.325 51.501 52.037 -0.353 0.000 0.813 373 A CB 0.095 18.721 19.000 -0.622 0.000 1.081 373 A HN 0.869 nan 8.150 nan 0.000 0.507 374 Y N 1.026 121.343 120.300 0.029 0.000 2.555 374 Y HA 0.144 4.694 4.550 -0.000 0.000 0.259 374 Y C 1.758 177.642 175.900 -0.027 0.000 1.179 374 Y CA 0.111 58.201 58.100 -0.017 0.000 1.230 374 Y CB 0.022 38.434 38.460 -0.079 0.000 1.146 374 Y HN 0.869 nan 8.280 nan 0.000 0.526 375 E N 1.088 121.338 120.200 0.084 0.000 2.114 375 E HA -0.186 4.164 4.350 -0.000 0.000 0.199 375 E C 2.454 179.094 176.600 0.067 0.000 1.008 375 E CA 1.923 58.361 56.400 0.064 0.000 0.810 375 E CB -0.513 29.219 29.700 0.053 0.000 0.739 375 E HN 0.462 nan 8.360 nan 0.000 0.456 376 G N -0.232 108.619 108.800 0.084 0.000 2.534 376 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 376 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 376 G C 1.514 176.466 174.900 0.088 0.000 1.128 376 G CA 0.774 45.937 45.100 0.105 0.000 0.784 376 G HN 0.361 nan 8.290 nan 0.000 0.542 377 M N 0.629 120.270 119.600 0.067 0.000 2.398 377 M HA 0.071 4.551 4.480 -0.000 0.000 0.261 377 M C 1.968 178.248 176.300 -0.035 0.000 1.125 377 M CA 1.890 57.204 55.300 0.023 0.000 1.183 377 M CB 0.562 33.184 32.600 0.036 0.000 1.322 377 M HN 0.212 nan 8.290 nan 0.000 0.467 378 S N -1.174 114.504 115.700 -0.038 0.000 2.817 378 S HA 0.364 4.834 4.470 -0.000 0.000 0.262 378 S C 0.748 175.323 174.600 -0.043 0.000 1.051 378 S CA -0.198 57.956 58.200 -0.077 0.000 1.185 378 S CB -0.020 63.051 63.200 -0.215 0.000 1.152 378 S HN 0.454 nan 8.310 nan 0.000 0.653 379 G N 2.833 111.629 108.800 -0.007 0.000 2.611 379 G HA2 0.432 4.392 3.960 -0.000 0.000 0.273 379 G HA3 0.432 4.392 3.960 -0.000 0.000 0.273 379 G C -1.230 173.669 174.900 -0.002 0.000 1.305 379 G CA -1.169 43.932 45.100 0.003 0.000 1.010 379 G HN 0.143 nan 8.290 nan 0.000 0.509 380 P HA -0.148 nan 4.420 nan 0.000 0.217 380 P C 2.118 179.406 177.300 -0.020 0.000 1.148 380 P CA 0.628 63.722 63.100 -0.010 0.000 0.828 380 P CB 0.135 31.830 31.700 -0.008 0.000 0.783 381 L N 0.245 121.457 121.223 -0.019 0.000 2.021 381 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 381 L C 2.526 179.367 176.870 -0.048 0.000 1.074 381 L CA 3.101 57.913 54.840 -0.047 0.000 0.760 381 L CB -1.272 40.778 42.059 -0.016 0.000 0.889 381 L HN 0.165 nan 8.230 nan 0.000 0.433 382 T N -2.492 112.057 114.554 -0.008 0.000 2.788 382 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 382 T C 1.901 176.613 174.700 0.021 0.000 1.044 382 T CA 1.014 63.124 62.100 0.017 0.000 1.139 382 T CB -0.328 68.551 68.868 0.019 0.000 0.867 382 T HN 0.161 nan 8.240 nan 0.000 0.454 383 I N 2.403 122.973 120.570 -0.001 0.000 2.233 383 I HA 0.069 4.239 4.170 -0.000 0.000 0.243 383 I C 3.191 179.308 176.117 -0.001 0.000 1.093 383 I CA 1.131 62.431 61.300 0.000 0.000 1.380 383 I CB -1.757 36.236 38.000 -0.010 0.000 1.067 383 I HN 0.366 nan 8.210 nan 0.000 0.413 384 A N 0.904 123.708 122.820 -0.027 0.000 1.978 384 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 384 A C 2.388 179.936 177.584 -0.061 0.000 1.170 384 A CA 1.446 53.455 52.037 -0.046 0.000 0.636 384 A CB -0.767 18.189 19.000 -0.073 0.000 0.810 384 A HN 0.420 nan 8.150 nan 0.000 0.448 385 L N -1.500 119.678 121.223 -0.075 0.000 2.095 385 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 385 L C 2.745 179.647 176.870 0.053 0.000 1.080 385 L CA 1.341 56.130 54.840 -0.084 0.000 0.759 385 L CB -0.493 41.492 42.059 -0.123 0.000 0.914 385 L HN 0.434 nan 8.230 nan 0.000 0.439 386 R N 0.594 121.178 120.500 0.140 0.000 2.080 386 R HA -0.197 4.143 4.340 -0.000 0.000 0.236 386 R C 1.799 178.261 176.300 0.270 0.000 1.137 386 R CA 2.178 58.446 56.100 0.280 0.000 0.943 386 R CB -0.242 30.161 30.300 0.172 0.000 0.846 386 R HN 0.289 nan 8.270 nan 0.000 0.431 387 D N 0.146 120.627 120.400 0.136 0.000 2.218 387 D HA -0.116 4.524 4.640 -0.000 0.000 0.204 387 D C 1.610 177.970 176.300 0.100 0.000 0.976 387 D CA 1.338 55.408 54.000 0.117 0.000 0.853 387 D CB -0.131 40.694 40.800 0.042 0.000 0.939 387 D HN 0.418 nan 8.370 nan 0.000 0.481 388 A N 0.352 123.199 122.820 0.044 0.000 1.968 388 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 388 A C 2.474 180.051 177.584 -0.011 0.000 1.169 388 A CA 0.676 52.710 52.037 -0.005 0.000 0.638 388 A CB -0.506 18.455 19.000 -0.066 0.000 0.812 388 A HN 0.126 nan 8.150 nan 0.000 0.446 389 V N -1.474 118.439 119.914 -0.002 0.000 2.295 389 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 389 V C 2.108 178.096 176.094 -0.177 0.000 1.049 389 V CA 1.833 64.070 62.300 -0.105 0.000 1.024 389 V CB -0.921 30.838 31.823 -0.106 0.000 0.648 389 V HN 0.698 nan 8.190 nan 0.000 0.447 390 Y N 0.047 120.384 120.300 0.061 0.000 2.490 390 Y HA 0.504 5.054 4.550 -0.000 0.000 0.281 390 Y C 1.515 177.432 175.900 0.028 0.000 1.174 390 Y CA -0.148 57.985 58.100 0.055 0.000 1.295 390 Y CB -0.753 37.735 38.460 0.047 0.000 1.062 390 Y HN 0.211 nan 8.280 nan 0.000 0.522 391 A N 0.000 122.884 122.820 0.107 0.000 2.254 391 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 391 A CA 0.000 52.076 52.037 0.065 0.000 0.836 391 A CB 0.000 19.016 19.000 0.027 0.000 0.831 391 A HN 0.000 nan 8.150 nan 0.000 0.486