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 3ecd_1_C DATA FIRST_RESID 3 DATA SEQUENCE NANPFFSQSL AERDASVRGA ILKELERQQS QVELIASENI VSRAVLDAQG DATA SEQUENCE SVLTNKYAEG YXXXXXXXXX XXXDEVEALA IERVKRLFNA GHANVQPHSG DATA SEQUENCE AQANGAVMLA LAKPGDTVLG MSLXXXXXXX XXXXXXXXXX XFNALQYGVS DATA SEQUENCE RDTMLIDYDQ VEALAQQHKP SLIIAGFSAY PRKLDFARFR AIADSVGAKL DATA SEQUENCE MVDMAHIAGV IAAGRHANPV EHAHVVTSTT HKTLRGPRGG FVLTNDEEIA DATA SEQUENCE KKINSAVXXX XXXGPLMHVI AGKAVAFGEA LTDDFKTYID RVLANAQALG DATA SEQUENCE DVLKAGGVDL VTGGTDNHLL LVDLRPKGLK GAQVEQALER AGITCNKNGI DATA SEQUENCE PFDPEKPTIT SGIRLGTPAG TTRGFGAAEF REVGRLILEV FEALRTNPEG DATA SEQUENCE DHATEQRVRR EIFALCERFP IY 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.559 175.510 0.081 0.000 1.280 3 N CA 0.000 53.086 53.050 0.059 0.000 0.885 3 N CB 0.000 38.551 38.487 0.107 0.000 1.341 4 A N 1.660 124.526 122.820 0.077 0.000 2.119 4 A HA 0.010 4.330 4.320 -0.000 0.000 0.216 4 A C 0.757 178.399 177.584 0.097 0.000 1.152 4 A CA 0.736 52.815 52.037 0.070 0.000 0.708 4 A CB -0.288 18.742 19.000 0.051 0.000 0.805 4 A HN 0.528 nan 8.150 nan 0.000 0.460 5 N N 0.299 119.096 118.700 0.162 0.000 2.419 5 N HA 0.226 4.966 4.740 -0.000 0.000 0.264 5 N C -2.064 173.555 175.510 0.180 0.000 1.031 5 N CA -2.313 50.852 53.050 0.192 0.000 0.951 5 N CB 1.614 40.300 38.487 0.332 0.000 1.101 5 N HN -0.039 nan 8.380 nan 0.000 0.488 6 P HA -0.106 nan 4.420 nan 0.000 0.222 6 P C 1.319 178.648 177.300 0.048 0.000 1.147 6 P CA 0.681 63.822 63.100 0.070 0.000 0.790 6 P CB 0.003 31.730 31.700 0.044 0.000 0.780 7 F N -0.090 119.772 119.950 -0.147 0.000 2.216 7 F HA -0.142 4.385 4.527 -0.001 0.000 0.300 7 F C 1.609 177.213 175.800 -0.326 0.000 1.085 7 F CA 1.563 59.378 58.000 -0.308 0.000 1.326 7 F CB -0.406 38.279 39.000 -0.525 0.000 1.027 7 F HN -0.266 nan 8.300 nan 0.000 0.497 8 F N -0.711 119.306 119.950 0.113 0.000 2.582 8 F HA 0.088 4.615 4.527 0.000 0.000 0.290 8 F C 2.626 178.409 175.800 -0.027 0.000 1.115 8 F CA 0.773 58.786 58.000 0.021 0.000 1.445 8 F CB -0.753 38.308 39.000 0.101 0.000 1.126 8 F HN 0.059 nan 8.300 nan 0.000 0.574 9 S N -1.427 114.363 115.700 0.150 0.000 2.483 9 S HA 0.125 4.595 4.470 -0.000 0.000 0.221 9 S C 0.728 175.343 174.600 0.025 0.000 1.030 9 S CA -0.201 58.050 58.200 0.085 0.000 0.925 9 S CB -0.225 63.026 63.200 0.086 0.000 0.795 9 S HN 0.250 nan 8.310 nan 0.000 0.511 10 Q N 2.482 122.280 119.800 -0.004 0.000 2.235 10 Q HA 0.462 4.802 4.340 -0.000 0.000 0.250 10 Q C -0.252 175.717 176.000 -0.051 0.000 0.909 10 Q CA -0.481 55.309 55.803 -0.023 0.000 0.910 10 Q CB 1.691 30.416 28.738 -0.022 0.000 1.223 10 Q HN 0.615 nan 8.270 nan 0.000 0.432 11 S N 1.475 117.151 115.700 -0.040 0.000 2.614 11 S HA 0.119 4.588 4.470 -0.000 0.000 0.265 11 S C 1.019 175.584 174.600 -0.058 0.000 1.303 11 S CA -0.692 57.478 58.200 -0.049 0.000 1.000 11 S CB 0.681 63.860 63.200 -0.035 0.000 0.935 11 S HN 0.800 nan 8.310 nan 0.000 0.551 12 L N 1.485 122.669 121.223 -0.065 0.000 2.043 12 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 12 L C 2.715 179.558 176.870 -0.045 0.000 1.075 12 L CA 2.081 56.884 54.840 -0.062 0.000 0.752 12 L CB -1.095 40.928 42.059 -0.061 0.000 0.891 12 L HN 0.969 nan 8.230 nan 0.000 0.432 13 A N -0.458 122.340 122.820 -0.038 0.000 1.948 13 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 13 A C 2.049 179.619 177.584 -0.023 0.000 1.177 13 A CA 2.164 54.185 52.037 -0.028 0.000 0.636 13 A CB -0.577 18.409 19.000 -0.024 0.000 0.815 13 A HN 0.668 nan 8.150 nan 0.000 0.449 14 E N -1.288 118.896 120.200 -0.025 0.000 2.299 14 E HA -0.038 4.312 4.350 -0.000 0.000 0.193 14 E C 2.104 178.692 176.600 -0.021 0.000 0.998 14 E CA 0.473 56.861 56.400 -0.020 0.000 0.851 14 E CB 0.060 29.749 29.700 -0.018 0.000 0.795 14 E HN 0.514 nan 8.360 nan 0.000 0.492 15 R N -0.114 120.368 120.500 -0.030 0.000 2.221 15 R HA 0.095 4.435 4.340 -0.000 0.000 0.195 15 R C 0.221 176.505 176.300 -0.027 0.000 0.956 15 R CA 0.340 56.421 56.100 -0.031 0.000 1.064 15 R CB 0.650 30.921 30.300 -0.048 0.000 1.049 15 R HN -0.058 nan 8.270 nan 0.000 0.534 16 D N 0.273 120.656 120.400 -0.028 0.000 2.363 16 D HA 0.283 4.923 4.640 -0.000 0.000 0.258 16 D C 0.378 176.666 176.300 -0.020 0.000 1.259 16 D CA -0.149 53.836 54.000 -0.025 0.000 0.921 16 D CB 1.381 42.162 40.800 -0.031 0.000 1.201 16 D HN 0.035 nan 8.370 nan 0.000 0.524 17 A N 1.770 124.582 122.820 -0.015 0.000 1.940 17 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 17 A C 2.118 179.696 177.584 -0.010 0.000 1.176 17 A CA 1.591 53.621 52.037 -0.011 0.000 0.631 17 A CB -0.006 18.989 19.000 -0.008 0.000 0.814 17 A HN 0.461 nan 8.150 nan 0.000 0.446 18 S N -0.696 114.998 115.700 -0.010 0.000 2.355 18 S HA -0.095 4.375 4.470 -0.000 0.000 0.222 18 S C 1.890 176.484 174.600 -0.010 0.000 1.031 18 S CA 1.370 59.565 58.200 -0.008 0.000 0.993 18 S CB -0.370 62.826 63.200 -0.007 0.000 0.859 18 S HN 0.337 nan 8.310 nan 0.000 0.453 19 V N 2.080 121.985 119.914 -0.015 0.000 2.427 19 V HA -0.091 4.029 4.120 -0.000 0.000 0.248 19 V C 2.480 178.562 176.094 -0.019 0.000 1.051 19 V CA 1.629 63.918 62.300 -0.018 0.000 1.048 19 V CB -0.597 31.212 31.823 -0.024 0.000 0.666 19 V HN 0.269 nan 8.190 nan 0.000 0.456 20 R N 1.487 121.975 120.500 -0.020 0.000 2.081 20 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 20 R C 2.195 178.487 176.300 -0.013 0.000 1.131 20 R CA 1.990 58.078 56.100 -0.020 0.000 0.960 20 R CB -1.318 28.970 30.300 -0.020 0.000 0.856 20 R HN 0.423 nan 8.270 nan 0.000 0.436 21 G N -0.461 108.334 108.800 -0.009 0.000 2.418 21 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 21 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 21 G C 1.559 176.458 174.900 -0.001 0.000 1.158 21 G CA 0.835 45.933 45.100 -0.002 0.000 0.771 21 G HN 0.500 nan 8.290 nan 0.000 0.545 22 A N 0.533 123.351 122.820 -0.004 0.000 1.930 22 A HA 0.121 4.441 4.320 -0.000 0.000 0.217 22 A C 2.380 179.962 177.584 -0.004 0.000 1.175 22 A CA 1.087 53.123 52.037 -0.002 0.000 0.627 22 A CB -0.281 18.716 19.000 -0.004 0.000 0.815 22 A HN 0.382 nan 8.150 nan 0.000 0.443 23 I N -0.506 120.056 120.570 -0.013 0.000 2.315 23 I HA -0.210 3.960 4.170 -0.000 0.000 0.248 23 I C 2.281 178.389 176.117 -0.015 0.000 1.117 23 I CA 0.897 62.184 61.300 -0.021 0.000 1.404 23 I CB -0.235 37.744 38.000 -0.035 0.000 1.071 23 I HN 0.284 nan 8.210 nan 0.000 0.419 24 L N 0.431 121.650 121.223 -0.007 0.000 2.093 24 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 24 L C 2.497 179.377 176.870 0.016 0.000 1.085 24 L CA 1.398 56.240 54.840 0.003 0.000 0.755 24 L CB -0.461 41.602 42.059 0.007 0.000 0.904 24 L HN 0.174 nan 8.230 nan 0.000 0.435 25 K N -0.266 120.144 120.400 0.016 0.000 2.097 25 K HA -0.220 4.100 4.320 -0.000 0.000 0.205 25 K C 2.024 178.641 176.600 0.028 0.000 1.050 25 K CA 1.314 57.616 56.287 0.025 0.000 0.938 25 K CB -0.016 32.497 32.500 0.022 0.000 0.718 25 K HN 0.101 nan 8.250 nan 0.000 0.442 26 E N 1.407 121.618 120.200 0.019 0.000 2.107 26 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 26 E C 1.791 178.408 176.600 0.028 0.000 0.982 26 E CA 0.623 57.036 56.400 0.021 0.000 0.809 26 E CB -0.139 29.566 29.700 0.009 0.000 0.756 26 E HN 0.116 nan 8.360 nan 0.000 0.459 27 L N 0.926 122.162 121.223 0.021 0.000 2.083 27 L HA -0.098 4.242 4.340 -0.000 0.000 0.209 27 L C 2.145 179.046 176.870 0.052 0.000 1.083 27 L CA 2.155 57.015 54.840 0.034 0.000 0.752 27 L CB -0.676 41.394 42.059 0.018 0.000 0.899 27 L HN 0.163 nan 8.230 nan 0.000 0.433 28 E N -0.098 120.131 120.200 0.048 0.000 2.106 28 E HA -0.235 4.115 4.350 -0.000 0.000 0.192 28 E C 2.421 179.058 176.600 0.061 0.000 0.984 28 E CA 1.271 57.707 56.400 0.060 0.000 0.806 28 E CB -0.317 29.426 29.700 0.073 0.000 0.750 28 E HN 0.474 nan 8.360 nan 0.000 0.458 29 R N 0.059 120.593 120.500 0.056 0.000 2.091 29 R HA -0.181 4.159 4.340 -0.000 0.000 0.238 29 R C 2.219 178.549 176.300 0.049 0.000 1.136 29 R CA 1.987 58.121 56.100 0.056 0.000 0.959 29 R CB -0.143 30.187 30.300 0.049 0.000 0.856 29 R HN 0.311 nan 8.270 nan 0.000 0.437 30 Q N -0.531 119.300 119.800 0.050 0.000 2.187 30 Q HA -0.178 4.162 4.340 -0.000 0.000 0.199 30 Q C 2.021 178.035 176.000 0.023 0.000 0.957 30 Q CA 1.279 57.111 55.803 0.050 0.000 0.857 30 Q CB 0.075 28.867 28.738 0.089 0.000 0.929 30 Q HN 0.268 nan 8.270 nan 0.000 0.453 31 Q N 0.510 120.323 119.800 0.022 0.000 2.137 31 Q HA -0.075 4.265 4.340 -0.000 0.000 0.198 31 Q C 1.618 177.572 176.000 -0.078 0.000 0.960 31 Q CA 1.840 57.630 55.803 -0.022 0.000 0.847 31 Q CB 0.082 28.811 28.738 -0.014 0.000 0.915 31 Q HN 0.275 nan 8.270 nan 0.000 0.448 32 S N -1.744 113.928 115.700 -0.046 0.000 2.559 32 S HA 0.297 4.767 4.470 -0.000 0.000 0.226 32 S C 0.217 174.832 174.600 0.025 0.000 1.000 32 S CA -0.628 57.525 58.200 -0.078 0.000 0.948 32 S CB 0.341 63.571 63.200 0.051 0.000 0.870 32 S HN 0.315 nan 8.310 nan 0.000 0.497 33 Q N 0.635 120.454 119.800 0.032 0.000 2.351 33 Q HA 0.624 4.964 4.340 -0.000 0.000 0.273 33 Q C -1.414 174.609 176.000 0.037 0.000 1.077 33 Q CA -0.985 54.848 55.803 0.051 0.000 0.843 33 Q CB 2.486 31.259 28.738 0.059 0.000 1.367 33 Q HN 0.103 nan 8.270 nan 0.000 0.449 34 V N 2.031 121.979 119.914 0.057 0.000 2.385 34 V HA 0.107 4.227 4.120 -0.000 0.000 0.269 34 V C -0.249 175.882 176.094 0.061 0.000 1.043 34 V CA -0.287 62.052 62.300 0.065 0.000 0.906 34 V CB 1.026 32.912 31.823 0.104 0.000 0.995 34 V HN 0.634 nan 8.190 nan 0.000 0.467 35 E N 4.835 125.062 120.200 0.045 0.000 2.089 35 E HA 0.331 4.681 4.350 -0.000 0.000 0.284 35 E C 0.097 176.760 176.600 0.104 0.000 1.023 35 E CA 0.088 56.527 56.400 0.065 0.000 0.819 35 E CB 0.795 30.524 29.700 0.048 0.000 1.076 35 E HN 0.620 nan 8.360 nan 0.000 0.396 36 L N 4.854 126.145 121.223 0.112 0.000 2.766 36 L HA 0.350 4.690 4.340 -0.000 0.000 0.242 36 L C 0.309 177.242 176.870 0.106 0.000 1.136 36 L CA -0.375 54.547 54.840 0.136 0.000 0.933 36 L CB 0.139 42.281 42.059 0.138 0.000 1.241 36 L HN 0.559 nan 8.230 nan 0.000 0.522 37 I N 1.033 121.659 120.570 0.093 0.000 2.668 37 I HA -0.094 4.076 4.170 -0.000 0.000 0.285 37 I C 1.601 177.776 176.117 0.097 0.000 1.168 37 I CA 0.065 61.416 61.300 0.084 0.000 1.424 37 I CB 1.375 39.423 38.000 0.079 0.000 1.377 37 I HN 0.149 nan 8.210 nan 0.000 0.560 38 A N 4.528 127.401 122.820 0.088 0.000 2.067 38 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 38 A C 2.103 179.788 177.584 0.168 0.000 1.158 38 A CA 1.643 53.751 52.037 0.118 0.000 0.661 38 A CB -0.359 18.665 19.000 0.039 0.000 0.801 38 A HN 0.805 nan 8.150 nan 0.000 0.452 39 S N -0.904 114.870 115.700 0.124 0.000 2.556 39 S HA 0.145 4.615 4.470 -0.000 0.000 0.216 39 S C 0.343 174.989 174.600 0.077 0.000 0.970 39 S CA -0.343 57.909 58.200 0.087 0.000 0.912 39 S CB 0.112 63.353 63.200 0.069 0.000 0.790 39 S HN 0.404 nan 8.310 nan 0.000 0.504 40 E N 2.201 122.464 120.200 0.105 0.000 2.319 40 E HA 0.507 4.857 4.350 -0.000 0.000 0.268 40 E C -0.366 176.301 176.600 0.112 0.000 1.050 40 E CA -0.232 56.236 56.400 0.113 0.000 0.878 40 E CB 0.882 30.642 29.700 0.101 0.000 1.066 40 E HN 0.264 nan 8.360 nan 0.000 0.406 41 N N 0.531 119.299 118.700 0.113 0.000 3.344 41 N HA 0.479 5.219 4.740 -0.000 0.000 0.296 41 N C -1.430 174.130 175.510 0.082 0.000 1.571 41 N CA -0.522 52.588 53.050 0.101 0.000 0.844 41 N CB 1.266 39.822 38.487 0.114 0.000 1.718 41 N HN 0.271 nan 8.380 nan 0.000 0.589 42 I N 1.706 122.306 120.570 0.050 0.000 2.468 42 I HA 0.263 4.433 4.170 -0.000 0.000 0.284 42 I C 0.279 176.416 176.117 0.033 0.000 1.038 42 I CA -1.041 60.285 61.300 0.044 0.000 1.083 42 I CB 1.761 39.725 38.000 -0.060 0.000 1.223 42 I HN 0.244 nan 8.210 nan 0.000 0.443 43 V N 2.798 122.784 119.914 0.120 0.000 2.834 43 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 43 V C 0.767 176.940 176.094 0.130 0.000 1.066 43 V CA -0.389 61.967 62.300 0.093 0.000 1.052 43 V CB 1.383 33.257 31.823 0.086 0.000 1.021 43 V HN 0.864 nan 8.190 nan 0.000 0.480 44 S N 2.730 118.465 115.700 0.058 0.000 2.584 44 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 44 S C 0.999 175.685 174.600 0.143 0.000 1.346 44 S CA 0.331 58.568 58.200 0.063 0.000 1.018 44 S CB 0.801 64.006 63.200 0.009 0.000 0.899 44 S HN 1.024 nan 8.310 nan 0.000 0.542 45 R N 1.717 122.310 120.500 0.155 0.000 2.127 45 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 45 R C 2.215 178.549 176.300 0.057 0.000 1.134 45 R CA 2.060 58.239 56.100 0.132 0.000 0.975 45 R CB -1.447 28.919 30.300 0.111 0.000 0.865 45 R HN 0.844 nan 8.270 nan 0.000 0.447 46 A N -0.427 122.415 122.820 0.037 0.000 1.898 46 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 46 A C 2.310 179.897 177.584 0.005 0.000 1.181 46 A CA 1.573 53.617 52.037 0.013 0.000 0.620 46 A CB -0.579 18.422 19.000 0.002 0.000 0.819 46 A HN 0.181 nan 8.150 nan 0.000 0.442 47 V N 0.288 120.206 119.914 0.006 0.000 2.407 47 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 47 V C 2.547 178.643 176.094 0.002 0.000 1.055 47 V CA 1.820 64.116 62.300 -0.007 0.000 1.049 47 V CB -0.749 31.069 31.823 -0.009 0.000 0.662 47 V HN 0.564 nan 8.190 nan 0.000 0.455 48 L N -0.266 120.964 121.223 0.012 0.000 2.046 48 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 48 L C 2.372 179.237 176.870 -0.008 0.000 1.077 48 L CA 1.662 56.496 54.840 -0.011 0.000 0.747 48 L CB -0.794 41.239 42.059 -0.042 0.000 0.896 48 L HN 0.330 nan 8.230 nan 0.000 0.432 49 D N 0.141 120.540 120.400 -0.002 0.000 2.144 49 D HA -0.144 4.496 4.640 -0.000 0.000 0.199 49 D C 2.203 178.508 176.300 0.008 0.000 0.984 49 D CA 1.424 55.424 54.000 -0.001 0.000 0.834 49 D CB -0.010 40.791 40.800 0.001 0.000 0.955 49 D HN 0.316 nan 8.370 nan 0.000 0.465 50 A N 0.704 123.530 122.820 0.011 0.000 1.873 50 A HA -0.199 4.121 4.320 -0.000 0.000 0.215 50 A C 2.071 179.692 177.584 0.061 0.000 1.186 50 A CA 1.241 53.292 52.037 0.023 0.000 0.616 50 A CB -0.554 18.447 19.000 0.001 0.000 0.823 50 A HN 0.186 nan 8.150 nan 0.000 0.442 51 Q N -1.021 118.812 119.800 0.054 0.000 2.291 51 Q HA -0.074 4.266 4.340 -0.000 0.000 0.205 51 Q C 1.593 177.667 176.000 0.124 0.000 0.970 51 Q CA 0.987 56.860 55.803 0.117 0.000 0.876 51 Q CB -0.197 28.579 28.738 0.062 0.000 0.935 51 Q HN 0.652 nan 8.270 nan 0.000 0.455 52 G N 0.873 109.698 108.800 0.041 0.000 3.434 52 G HA2 0.070 4.030 3.960 -0.000 0.000 0.258 52 G HA3 0.070 4.030 3.960 -0.000 0.000 0.258 52 G C 0.230 175.118 174.900 -0.020 0.000 1.128 52 G CA -0.080 45.017 45.100 -0.006 0.000 0.792 52 G HN 0.231 nan 8.290 nan 0.000 0.539 53 S N -0.603 115.099 115.700 0.003 0.000 2.669 53 S HA 0.290 4.760 4.470 -0.000 0.000 0.270 53 S C 1.529 176.105 174.600 -0.040 0.000 1.225 53 S CA 0.039 58.236 58.200 -0.006 0.000 0.991 53 S CB 1.586 64.800 63.200 0.023 0.000 0.987 53 S HN 0.566 nan 8.310 nan 0.000 0.552 54 V N -0.634 119.262 119.914 -0.030 0.000 3.383 54 V HA 0.046 4.166 4.120 -0.000 0.000 0.272 54 V C 1.516 177.582 176.094 -0.046 0.000 1.181 54 V CA 0.794 63.070 62.300 -0.039 0.000 1.171 54 V CB -1.359 30.449 31.823 -0.024 0.000 0.800 54 V HN 0.683 nan 8.190 nan 0.000 0.515 55 L N 0.962 122.173 121.223 -0.022 0.000 2.456 55 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 55 L C 2.679 179.552 176.870 0.005 0.000 1.148 55 L CA 2.166 57.013 54.840 0.012 0.000 0.825 55 L CB -1.451 40.659 42.059 0.085 0.000 0.937 55 L HN 0.539 nan 8.230 nan 0.000 0.450 56 T N -0.630 113.828 114.554 -0.159 0.000 2.962 56 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 56 T C 1.172 175.802 174.700 -0.116 0.000 1.088 56 T CA 0.724 62.621 62.100 -0.338 0.000 1.127 56 T CB -0.326 68.172 68.868 -0.616 0.000 0.883 56 T HN 0.276 nan 8.240 nan 0.000 0.493 57 N N 2.460 121.111 118.700 -0.082 0.000 3.091 57 N HA 0.220 4.960 4.740 -0.000 0.000 0.301 57 N C -0.479 174.986 175.510 -0.076 0.000 1.325 57 N CA 0.213 53.234 53.050 -0.049 0.000 1.143 57 N CB 0.256 38.730 38.487 -0.022 0.000 1.450 57 N HN 0.543 nan 8.380 nan 0.000 0.542 58 K N -0.259 120.092 120.400 -0.083 0.000 2.568 58 K HA 0.139 4.459 4.320 -0.000 0.000 0.273 58 K C -0.977 175.575 176.600 -0.080 0.000 0.951 58 K CA -0.500 55.660 56.287 -0.212 0.000 0.854 58 K CB 1.177 33.419 32.500 -0.429 0.000 1.424 58 K HN -0.053 nan 8.250 nan 0.000 0.427 59 Y N 0.040 120.368 120.300 0.046 0.000 3.305 59 Y HA -0.286 4.264 4.550 -0.000 0.000 0.212 59 Y C 0.921 176.849 175.900 0.048 0.000 1.248 59 Y CA 0.713 58.841 58.100 0.047 0.000 1.359 59 Y CB -2.533 35.960 38.460 0.055 0.000 1.407 59 Y HN 0.736 nan 8.280 nan 0.000 0.572 60 A N -0.363 122.550 122.820 0.156 0.000 1.986 60 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 60 A C 2.020 179.663 177.584 0.099 0.000 1.171 60 A CA 2.013 54.113 52.037 0.104 0.000 0.640 60 A CB -0.216 18.823 19.000 0.065 0.000 0.811 60 A HN 0.672 nan 8.150 nan 0.000 0.451 61 E N -1.918 118.348 120.200 0.110 0.000 2.474 61 E HA 0.384 4.734 4.350 -0.000 0.000 0.195 61 E C 0.821 177.465 176.600 0.074 0.000 1.039 61 E CA 0.292 56.739 56.400 0.079 0.000 0.881 61 E CB 0.315 30.056 29.700 0.068 0.000 0.970 61 E HN 0.726 nan 8.360 nan 0.000 0.486 62 G N -0.769 108.094 108.800 0.105 0.000 2.466 62 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.316 62 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.316 62 G C -0.245 174.628 174.900 -0.045 0.000 1.270 62 G CA -0.671 44.460 45.100 0.052 0.000 0.982 62 G HN 0.215 nan 8.290 nan 0.000 0.506 77 E N 1.769 122.002 120.200 0.055 0.000 2.058 77 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 77 E C 1.957 178.580 176.600 0.038 0.000 0.997 77 E CA 2.241 58.664 56.400 0.038 0.000 0.801 77 E CB 0.253 29.970 29.700 0.028 0.000 0.746 77 E HN 0.384 nan 8.360 nan 0.000 0.450 78 V N -0.905 119.035 119.914 0.044 0.000 2.490 78 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 78 V C 2.170 178.292 176.094 0.048 0.000 1.061 78 V CA 2.259 64.584 62.300 0.041 0.000 1.064 78 V CB -0.652 31.196 31.823 0.041 0.000 0.670 78 V HN 0.275 nan 8.190 nan 0.000 0.461 79 E N 0.979 121.213 120.200 0.056 0.000 2.112 79 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 79 E C 2.244 178.871 176.600 0.045 0.000 0.979 79 E CA 1.084 57.517 56.400 0.055 0.000 0.814 79 E CB -0.281 29.453 29.700 0.056 0.000 0.762 79 E HN 0.657 nan 8.360 nan 0.000 0.460 80 A N 1.201 124.043 122.820 0.038 0.000 1.908 80 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 80 A C 2.176 179.772 177.584 0.020 0.000 1.181 80 A CA 1.157 53.209 52.037 0.025 0.000 0.627 80 A CB -0.677 18.336 19.000 0.022 0.000 0.818 80 A HN 0.311 nan 8.150 nan 0.000 0.445 81 L N -0.942 120.297 121.223 0.027 0.000 2.027 81 L HA -0.186 4.154 4.340 -0.000 0.000 0.206 81 L C 3.143 180.041 176.870 0.047 0.000 1.074 81 L CA 1.074 55.930 54.840 0.027 0.000 0.745 81 L CB -0.562 41.513 42.059 0.027 0.000 0.898 81 L HN 0.444 nan 8.230 nan 0.000 0.433 82 A N 0.260 123.129 122.820 0.082 0.000 1.908 82 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 82 A C 2.205 179.828 177.584 0.065 0.000 1.181 82 A CA 1.671 53.818 52.037 0.184 0.000 0.627 82 A CB -0.711 18.411 19.000 0.203 0.000 0.818 82 A HN 0.357 nan 8.150 nan 0.000 0.445 83 I N 0.070 120.648 120.570 0.014 0.000 2.179 83 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 83 I C 2.674 178.737 176.117 -0.090 0.000 1.088 83 I CA 1.885 63.156 61.300 -0.047 0.000 1.357 83 I CB -0.386 37.608 38.000 -0.010 0.000 1.051 83 I HN 0.683 nan 8.210 nan 0.000 0.409 84 E N 1.323 121.488 120.200 -0.057 0.000 2.152 84 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 84 E C 2.264 178.804 176.600 -0.101 0.000 0.983 84 E CA 0.782 57.142 56.400 -0.067 0.000 0.818 84 E CB -0.168 29.508 29.700 -0.040 0.000 0.758 84 E HN 0.422 nan 8.360 nan 0.000 0.467 85 R N 0.463 120.901 120.500 -0.103 0.000 2.073 85 R HA -0.016 4.324 4.340 -0.000 0.000 0.229 85 R C 2.518 178.643 176.300 -0.291 0.000 1.120 85 R CA 1.144 57.166 56.100 -0.129 0.000 0.967 85 R CB -0.311 29.976 30.300 -0.021 0.000 0.862 85 R HN 0.108 nan 8.270 nan 0.000 0.436 86 V N 1.328 120.933 119.914 -0.515 0.000 2.548 86 V HA -0.195 3.925 4.120 -0.000 0.000 0.249 86 V C 1.661 177.562 176.094 -0.322 0.000 1.055 86 V CA 1.672 63.494 62.300 -0.797 0.000 1.065 86 V CB -0.153 30.770 31.823 -1.499 0.000 0.681 86 V HN 0.247 nan 8.190 nan 0.000 0.462 87 K N -0.233 120.033 120.400 -0.224 0.000 2.057 87 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 87 K C 2.347 178.889 176.600 -0.097 0.000 1.049 87 K CA 1.831 58.050 56.287 -0.114 0.000 0.931 87 K CB -0.263 32.173 32.500 -0.106 0.000 0.714 87 K HN 0.395 nan 8.250 nan 0.000 0.440 88 R N 0.879 121.301 120.500 -0.130 0.000 2.090 88 R HA -0.093 4.247 4.340 -0.000 0.000 0.228 88 R C 2.227 178.435 176.300 -0.152 0.000 1.110 88 R CA 0.812 56.842 56.100 -0.116 0.000 0.973 88 R CB -0.171 30.066 30.300 -0.106 0.000 0.869 88 R HN 0.069 nan 8.270 nan 0.000 0.440 89 L N 0.015 121.091 121.223 -0.245 0.000 2.046 89 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 89 L C 0.975 177.533 176.870 -0.520 0.000 1.077 89 L CA 1.808 56.390 54.840 -0.429 0.000 0.747 89 L CB -0.145 41.544 42.059 -0.617 0.000 0.896 89 L HN 0.165 nan 8.230 nan 0.000 0.432 90 F N -1.029 118.863 119.950 -0.097 0.000 2.661 90 F HA 0.290 4.817 4.527 -0.000 0.000 0.306 90 F C 1.053 176.832 175.800 -0.036 0.000 1.094 90 F CA -0.386 57.592 58.000 -0.038 0.000 1.254 90 F CB -0.490 38.500 39.000 -0.017 0.000 1.040 90 F HN 0.092 nan 8.300 nan 0.000 0.562 91 N N 1.300 120.029 118.700 0.049 0.000 2.725 91 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 91 N C -0.530 174.991 175.510 0.018 0.000 1.031 91 N CA 0.638 53.699 53.050 0.017 0.000 0.720 91 N CB -0.874 37.624 38.487 0.019 0.000 0.930 91 N HN 0.333 nan 8.380 nan 0.000 0.543 92 A N -1.077 121.752 122.820 0.017 0.000 2.325 92 A HA 0.765 5.085 4.320 -0.000 0.000 0.333 92 A C 1.450 178.990 177.584 -0.072 0.000 1.155 92 A CA -0.028 52.008 52.037 -0.001 0.000 0.814 92 A CB 1.092 20.113 19.000 0.035 0.000 1.206 92 A HN 0.376 nan 8.150 nan 0.000 0.482 93 G N 0.128 108.863 108.800 -0.109 0.000 2.511 93 G HA2 0.234 4.194 3.960 -0.000 0.000 0.217 93 G HA3 0.234 4.194 3.960 -0.000 0.000 0.217 93 G C 0.512 175.034 174.900 -0.629 0.000 1.133 93 G CA 0.526 45.424 45.100 -0.336 0.000 0.792 93 G HN 0.774 nan 8.290 nan 0.000 0.539 94 H N -1.072 117.993 119.070 -0.009 0.000 2.974 94 H HA 0.629 5.184 4.556 -0.000 0.000 0.366 94 H C -0.958 174.367 175.328 -0.004 0.000 1.155 94 H CA -0.376 55.668 56.048 -0.007 0.000 1.186 94 H CB 1.966 31.726 29.762 -0.002 0.000 1.799 94 H HN 0.201 nan 8.280 nan 0.000 0.541 95 A N 2.471 125.359 122.820 0.113 0.000 2.515 95 A HA 0.410 4.730 4.320 -0.000 0.000 0.298 95 A C -1.023 176.604 177.584 0.073 0.000 1.059 95 A CA -0.825 51.256 52.037 0.073 0.000 0.698 95 A CB 2.154 21.151 19.000 -0.006 0.000 1.289 95 A HN 0.622 nan 8.150 nan 0.000 0.404 96 N N 1.115 119.869 118.700 0.090 0.000 2.346 96 N HA 0.401 5.141 4.740 -0.000 0.000 0.289 96 N C -0.291 175.295 175.510 0.127 0.000 1.027 96 N CA -0.017 53.079 53.050 0.078 0.000 0.864 96 N CB 2.076 40.594 38.487 0.051 0.000 1.370 96 N HN 0.940 nan 8.380 nan 0.000 0.481 97 V N 1.213 121.192 119.914 0.107 0.000 3.176 97 V HA 0.290 4.410 4.120 -0.000 0.000 0.332 97 V C 1.130 177.275 176.094 0.085 0.000 1.414 97 V CA 0.109 62.505 62.300 0.161 0.000 1.133 97 V CB 0.125 32.050 31.823 0.169 0.000 1.088 97 V HN 0.537 nan 8.190 nan 0.000 0.473 98 Q N 0.811 120.623 119.800 0.019 0.000 2.212 98 Q HA 0.194 4.534 4.340 -0.000 0.000 0.199 98 Q C -1.476 174.403 176.000 -0.201 0.000 0.950 98 Q CA 0.028 55.780 55.803 -0.085 0.000 0.863 98 Q CB -0.916 27.770 28.738 -0.086 0.000 0.944 98 Q HN 0.554 nan 8.270 nan 0.000 0.465 99 P HA -0.118 nan 4.420 nan 0.000 0.265 99 P C -0.244 176.965 177.300 -0.153 0.000 1.187 99 P CA 0.718 63.739 63.100 -0.131 0.000 0.766 99 P CB 0.412 32.098 31.700 -0.024 0.000 0.820 100 H N -0.271 118.809 119.070 0.017 0.000 2.548 100 H HA 0.111 4.667 4.556 0.000 0.000 0.268 100 H C 0.798 176.120 175.328 -0.010 0.000 0.975 100 H CA 0.716 56.763 56.048 -0.002 0.000 1.195 100 H CB 0.318 30.076 29.762 -0.008 0.000 1.397 100 H HN 0.485 nan 8.280 nan 0.000 0.572 101 S N -2.238 113.516 115.700 0.091 0.000 2.615 101 S HA 0.386 4.856 4.470 -0.000 0.000 0.269 101 S C 1.198 175.818 174.600 0.034 0.000 1.161 101 S CA -0.354 57.880 58.200 0.056 0.000 0.817 101 S CB 1.251 64.483 63.200 0.052 0.000 1.131 101 S HN 0.067 nan 8.310 nan 0.000 0.467 102 G N 0.786 109.604 108.800 0.030 0.000 2.418 102 G HA2 0.087 4.047 3.960 -0.000 0.000 0.217 102 G HA3 0.087 4.047 3.960 -0.000 0.000 0.217 102 G C 1.478 176.374 174.900 -0.008 0.000 1.158 102 G CA 1.028 46.115 45.100 -0.021 0.000 0.771 102 G HN 1.365 nan 8.290 nan 0.000 0.545 103 A N 0.185 123.019 122.820 0.023 0.000 1.969 103 A HA -0.024 4.296 4.320 -0.000 0.000 0.218 103 A C 2.313 179.923 177.584 0.043 0.000 1.169 103 A CA 1.789 53.855 52.037 0.048 0.000 0.635 103 A CB -0.293 18.742 19.000 0.059 0.000 0.810 103 A HN 0.468 nan 8.150 nan 0.000 0.445 104 Q N -0.817 119.006 119.800 0.038 0.000 2.187 104 Q HA 0.047 4.387 4.340 -0.000 0.000 0.199 104 Q C 2.375 178.387 176.000 0.020 0.000 0.957 104 Q CA 0.959 56.786 55.803 0.040 0.000 0.857 104 Q CB -0.287 28.487 28.738 0.060 0.000 0.929 104 Q HN 0.674 nan 8.270 nan 0.000 0.453 105 A N 1.521 124.341 122.820 0.000 0.000 1.898 105 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 105 A C 1.738 179.309 177.584 -0.022 0.000 1.181 105 A CA 1.492 53.514 52.037 -0.025 0.000 0.620 105 A CB -0.398 18.558 19.000 -0.072 0.000 0.819 105 A HN 0.261 nan 8.150 nan 0.000 0.442 106 N N 0.251 118.946 118.700 -0.009 0.000 2.188 106 N HA -0.089 4.651 4.740 -0.000 0.000 0.184 106 N C 1.796 177.316 175.510 0.016 0.000 1.018 106 N CA 1.438 54.489 53.050 0.002 0.000 0.858 106 N CB -0.765 37.748 38.487 0.043 0.000 0.989 106 N HN 0.467 nan 8.380 nan 0.000 0.426 107 G N 0.213 109.035 108.800 0.037 0.000 2.422 107 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.218 107 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.218 107 G C 1.599 176.533 174.900 0.057 0.000 1.140 107 G CA 0.957 46.093 45.100 0.061 0.000 0.775 107 G HN 0.434 nan 8.290 nan 0.000 0.545 108 A N 0.122 122.961 122.820 0.031 0.000 1.929 108 A HA 0.161 4.480 4.320 -0.000 0.000 0.216 108 A C 2.540 180.135 177.584 0.019 0.000 1.176 108 A CA 1.561 53.612 52.037 0.023 0.000 0.628 108 A CB -0.478 18.527 19.000 0.009 0.000 0.816 108 A HN 0.218 nan 8.150 nan 0.000 0.444 109 V N -0.198 119.718 119.914 0.003 0.000 2.427 109 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 109 V C 2.565 178.650 176.094 -0.014 0.000 1.051 109 V CA 2.024 64.316 62.300 -0.014 0.000 1.048 109 V CB -0.583 31.219 31.823 -0.036 0.000 0.666 109 V HN 0.557 nan 8.190 nan 0.000 0.456 110 M N -0.579 119.022 119.600 0.001 0.000 2.288 110 M HA -0.078 4.402 4.480 -0.000 0.000 0.266 110 M C 2.279 178.679 176.300 0.168 0.000 1.072 110 M CA 1.792 57.092 55.300 -0.001 0.000 1.132 110 M CB -0.352 32.234 32.600 -0.023 0.000 1.386 110 M HN 0.438 nan 8.290 nan 0.000 0.432 111 L N -1.197 120.120 121.223 0.157 0.000 2.376 111 L HA 0.214 4.554 4.340 -0.000 0.000 0.219 111 L C 2.361 179.283 176.870 0.086 0.000 1.133 111 L CA 1.884 56.809 54.840 0.142 0.000 0.816 111 L CB -1.951 40.155 42.059 0.079 0.000 0.933 111 L HN 0.415 nan 8.230 nan 0.000 0.449 112 A N -1.643 121.209 122.820 0.054 0.000 1.956 112 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 112 A C 1.979 179.571 177.584 0.013 0.000 1.188 112 A CA 1.090 53.140 52.037 0.023 0.000 0.675 112 A CB 0.001 19.003 19.000 0.005 0.000 0.845 112 A HN 0.506 nan 8.150 nan 0.000 0.455 113 L N -1.159 120.066 121.223 0.003 0.000 2.766 113 L HA 0.387 4.727 4.340 -0.000 0.000 0.242 113 L C 0.524 177.375 176.870 -0.031 0.000 1.136 113 L CA 0.256 55.077 54.840 -0.031 0.000 0.933 113 L CB 0.498 42.517 42.059 -0.067 0.000 1.241 113 L HN 0.320 nan 8.230 nan 0.000 0.522 114 A N 0.779 123.616 122.820 0.028 0.000 2.332 114 A HA 0.645 4.965 4.320 -0.000 0.000 0.300 114 A C 0.109 177.856 177.584 0.272 0.000 1.153 114 A CA -0.455 51.625 52.037 0.072 0.000 0.764 114 A CB 0.705 19.574 19.000 -0.218 0.000 1.174 114 A HN 0.073 nan 8.150 nan 0.000 0.467 115 K N 3.677 124.187 120.400 0.183 0.000 2.276 115 K HA 0.613 4.933 4.320 -0.000 0.000 0.259 115 K C -2.522 174.200 176.600 0.203 0.000 1.001 115 K CA -1.412 54.963 56.287 0.147 0.000 0.927 115 K CB -0.668 31.878 32.500 0.076 0.000 0.969 115 K HN 0.669 nan 8.250 nan 0.000 0.490 116 P HA 0.175 nan 4.420 nan 0.000 0.268 116 P C 0.822 178.136 177.300 0.023 0.000 1.205 116 P CA 1.378 64.443 63.100 -0.059 0.000 0.771 116 P CB 0.795 32.436 31.700 -0.098 0.000 0.858 117 G N 1.532 110.345 108.800 0.022 0.000 2.162 117 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.260 117 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.260 117 G C 0.086 175.060 174.900 0.125 0.000 0.976 117 G CA 0.071 45.208 45.100 0.061 0.000 0.655 117 G HN 0.532 nan 8.290 nan 0.000 0.533 118 D N 0.559 121.088 120.400 0.215 0.000 2.362 118 D HA 0.458 5.098 4.640 -0.000 0.000 0.238 118 D C 0.828 177.204 176.300 0.126 0.000 1.212 118 D CA 0.791 54.885 54.000 0.157 0.000 0.902 118 D CB 0.523 41.407 40.800 0.140 0.000 1.180 118 D HN 0.086 nan 8.370 nan 0.000 0.445 119 T N 0.612 115.191 114.554 0.042 0.000 2.795 119 T HA 0.487 4.837 4.350 -0.000 0.000 0.282 119 T C -0.369 174.292 174.700 -0.065 0.000 0.980 119 T CA -0.597 61.503 62.100 0.001 0.000 1.012 119 T CB 0.979 69.854 68.868 0.013 0.000 0.936 119 T HN -0.021 nan 8.240 nan 0.000 0.457 120 V N 4.459 124.309 119.914 -0.108 0.000 2.531 120 V HA 0.498 4.618 4.120 -0.000 0.000 0.301 120 V C -0.766 175.260 176.094 -0.112 0.000 1.034 120 V CA -0.933 61.267 62.300 -0.166 0.000 0.865 120 V CB 1.767 33.397 31.823 -0.322 0.000 0.995 120 V HN 0.669 nan 8.190 nan 0.000 0.424 121 L N 4.818 126.007 121.223 -0.056 0.000 2.294 121 L HA 0.946 5.286 4.340 -0.000 0.000 0.283 121 L C 0.251 177.170 176.870 0.081 0.000 1.015 121 L CA 0.451 55.310 54.840 0.032 0.000 0.831 121 L CB 0.951 43.074 42.059 0.106 0.000 1.217 121 L HN 0.759 nan 8.230 nan 0.000 0.420 122 G N 4.149 112.921 108.800 -0.045 0.000 2.605 122 G HA2 0.475 4.435 3.960 -0.000 0.000 0.296 122 G HA3 0.475 4.435 3.960 -0.000 0.000 0.296 122 G C -1.344 173.098 174.900 -0.764 0.000 1.304 122 G CA -0.866 44.084 45.100 -0.249 0.000 0.941 122 G HN 0.599 nan 8.290 nan 0.000 0.475 123 M N 1.173 120.204 119.600 -0.948 0.000 2.235 123 M HA 0.545 5.025 4.480 -0.000 0.000 0.351 123 M C -0.171 175.829 176.300 -0.500 0.000 1.178 123 M CA -0.191 54.446 55.300 -1.105 0.000 1.143 123 M CB 1.249 33.469 32.600 -0.634 0.000 1.530 123 M HN 0.507 nan 8.290 nan 0.000 0.461 124 S N 4.449 119.906 115.700 -0.404 0.000 2.548 124 S HA 0.648 5.118 4.470 -0.000 0.000 0.276 124 S C -1.013 173.492 174.600 -0.158 0.000 1.129 124 S CA -0.848 57.242 58.200 -0.183 0.000 0.931 124 S CB 1.137 64.237 63.200 -0.167 0.000 1.068 124 S HN 0.766 nan 8.310 nan 0.000 0.480 145 N N 2.265 121.072 118.700 0.178 0.000 2.663 145 N HA 0.528 5.268 4.740 -0.000 0.000 0.250 145 N C -0.621 174.891 175.510 0.003 0.000 1.129 145 N CA 0.041 53.125 53.050 0.056 0.000 0.995 145 N CB 0.581 39.085 38.487 0.028 0.000 1.324 145 N HN 0.743 nan 8.380 nan 0.000 0.512 146 A N 4.117 126.934 122.820 -0.005 0.000 2.347 146 A HA 0.409 4.729 4.320 -0.000 0.000 0.287 146 A C -0.191 177.335 177.584 -0.098 0.000 1.199 146 A CA -0.384 51.615 52.037 -0.063 0.000 0.851 146 A CB -0.080 18.884 19.000 -0.061 0.000 1.118 146 A HN 0.679 nan 8.150 nan 0.000 0.525 147 L N 2.487 123.637 121.223 -0.121 0.000 2.331 147 L HA 0.462 4.802 4.340 -0.000 0.000 0.275 147 L C 0.199 177.005 176.870 -0.107 0.000 1.022 147 L CA -0.507 54.254 54.840 -0.132 0.000 0.812 147 L CB 1.678 43.626 42.059 -0.186 0.000 1.257 147 L HN 0.744 nan 8.230 nan 0.000 0.435 148 Q N 1.533 121.274 119.800 -0.098 0.000 2.306 148 Q HA 0.504 4.844 4.340 -0.000 0.000 0.265 148 Q C -1.571 174.414 176.000 -0.025 0.000 1.022 148 Q CA -0.785 54.936 55.803 -0.137 0.000 0.853 148 Q CB 2.622 31.259 28.738 -0.169 0.000 1.327 148 Q HN 0.495 nan 8.270 nan 0.000 0.449 149 Y N -1.548 118.717 120.300 -0.058 0.000 2.562 149 Y HA 0.920 5.470 4.550 0.000 0.000 0.343 149 Y C -0.076 175.786 175.900 -0.064 0.000 1.025 149 Y CA -0.872 57.203 58.100 -0.040 0.000 1.082 149 Y CB 1.382 39.830 38.460 -0.019 0.000 1.264 149 Y HN 0.647 nan 8.280 nan 0.000 0.478 150 G N 0.610 109.466 108.800 0.094 0.000 3.195 150 G HA2 0.582 4.542 3.960 -0.000 0.000 0.217 150 G HA3 0.582 4.542 3.960 -0.000 0.000 0.217 150 G C -1.070 173.867 174.900 0.063 0.000 1.166 150 G CA -0.386 44.709 45.100 -0.010 0.000 0.812 150 G HN 1.193 nan 8.290 nan 0.000 0.617 151 V N -1.423 118.530 119.914 0.065 0.000 2.850 151 V HA 0.773 4.893 4.120 -0.000 0.000 0.315 151 V C 0.581 176.818 176.094 0.238 0.000 1.064 151 V CA -0.319 62.054 62.300 0.122 0.000 0.979 151 V CB 1.290 33.206 31.823 0.154 0.000 1.039 151 V HN 0.978 nan 8.190 nan 0.000 0.452 152 S N 1.513 117.315 115.700 0.170 0.000 2.549 152 S HA 0.145 4.615 4.470 -0.000 0.000 0.286 152 S C 1.142 175.815 174.600 0.122 0.000 1.314 152 S CA 0.246 58.524 58.200 0.131 0.000 1.062 152 S CB 0.282 63.521 63.200 0.064 0.000 0.865 152 S HN 1.015 nan 8.310 nan 0.000 0.498 153 R N 2.501 122.932 120.500 -0.114 0.000 2.189 153 R HA -0.071 4.269 4.340 -0.000 0.000 0.223 153 R C 0.285 176.458 176.300 -0.213 0.000 1.092 153 R CA 1.668 57.458 56.100 -0.516 0.000 0.989 153 R CB -0.122 29.564 30.300 -1.023 0.000 0.876 153 R HN 0.692 nan 8.270 nan 0.000 0.457 154 D N -1.197 119.139 120.400 -0.105 0.000 2.338 154 D HA -0.025 4.615 4.640 -0.000 0.000 0.208 154 D C 1.424 177.718 176.300 -0.010 0.000 0.997 154 D CA 1.438 55.401 54.000 -0.060 0.000 0.880 154 D CB 0.759 41.526 40.800 -0.055 0.000 0.980 154 D HN 0.386 nan 8.370 nan 0.000 0.509 155 T N -3.090 111.477 114.554 0.022 0.000 2.959 155 T HA 0.120 4.470 4.350 -0.000 0.000 0.254 155 T C 1.109 175.855 174.700 0.077 0.000 1.003 155 T CA -0.073 62.054 62.100 0.045 0.000 0.950 155 T CB 0.730 69.629 68.868 0.051 0.000 1.090 155 T HN -0.181 nan 8.240 nan 0.000 0.503 156 M N 0.109 119.775 119.600 0.110 0.000 2.908 156 M HA -0.112 4.368 4.480 -0.000 0.000 0.191 156 M C -0.482 175.943 176.300 0.209 0.000 0.619 156 M CA 0.499 55.895 55.300 0.159 0.000 0.709 156 M CB -2.401 30.271 32.600 0.120 0.000 2.554 156 M HN 0.438 nan 8.290 nan 0.000 0.356 157 L N -0.032 121.301 121.223 0.183 0.000 2.334 157 L HA 0.534 4.874 4.340 -0.000 0.000 0.275 157 L C 0.943 177.891 176.870 0.131 0.000 1.036 157 L CA -1.025 53.956 54.840 0.236 0.000 0.807 157 L CB 1.344 43.514 42.059 0.185 0.000 1.231 157 L HN 0.042 nan 8.230 nan 0.000 0.438 158 I N 1.964 122.561 120.570 0.045 0.000 2.906 158 I HA -0.158 4.012 4.170 -0.000 0.000 0.301 158 I C 0.546 176.523 176.117 -0.233 0.000 1.221 158 I CA 0.670 61.830 61.300 -0.232 0.000 1.435 158 I CB 0.044 37.709 38.000 -0.557 0.000 1.345 158 I HN 0.556 nan 8.210 nan 0.000 0.558 159 D N 7.048 127.341 120.400 -0.177 0.000 2.483 159 D HA 0.039 4.679 4.640 -0.000 0.000 0.220 159 D C 0.592 176.772 176.300 -0.200 0.000 1.173 159 D CA 0.032 53.973 54.000 -0.098 0.000 0.964 159 D CB 0.329 41.128 40.800 -0.001 0.000 1.046 159 D HN 0.380 nan 8.370 nan 0.000 0.517 160 Y N 0.915 121.137 120.300 -0.130 0.000 2.509 160 Y HA -0.085 4.465 4.550 0.000 0.000 0.293 160 Y C 1.873 177.672 175.900 -0.169 0.000 1.133 160 Y CA 0.442 58.402 58.100 -0.234 0.000 1.283 160 Y CB 0.470 38.769 38.460 -0.268 0.000 1.001 160 Y HN 0.285 nan 8.280 nan 0.000 0.555 161 D N -0.570 119.845 120.400 0.025 0.000 2.213 161 D HA -0.154 4.486 4.640 -0.000 0.000 0.205 161 D C 2.005 178.301 176.300 -0.007 0.000 0.961 161 D CA 0.782 54.787 54.000 0.008 0.000 0.853 161 D CB -0.216 40.592 40.800 0.013 0.000 0.967 161 D HN 0.392 nan 8.370 nan 0.000 0.496 162 Q N 0.776 120.568 119.800 -0.012 0.000 2.167 162 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 162 Q C 1.876 177.868 176.000 -0.014 0.000 0.970 162 Q CA 0.909 56.717 55.803 0.008 0.000 0.855 162 Q CB 0.289 29.050 28.738 0.038 0.000 0.911 162 Q HN 0.067 nan 8.270 nan 0.000 0.438 163 V N 1.035 120.885 119.914 -0.105 0.000 2.270 163 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 163 V C 2.233 178.281 176.094 -0.076 0.000 1.043 163 V CA 2.215 64.396 62.300 -0.197 0.000 1.014 163 V CB -0.649 30.928 31.823 -0.411 0.000 0.645 163 V HN 0.449 nan 8.190 nan 0.000 0.447 164 E N 0.163 120.329 120.200 -0.056 0.000 2.051 164 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 164 E C 2.255 178.854 176.600 -0.002 0.000 0.991 164 E CA 1.332 57.720 56.400 -0.020 0.000 0.799 164 E CB -0.286 29.402 29.700 -0.020 0.000 0.748 164 E HN 0.523 nan 8.360 nan 0.000 0.449 165 A N 1.140 123.960 122.820 -0.000 0.000 1.859 165 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 165 A C 2.157 179.752 177.584 0.019 0.000 1.209 165 A CA 1.716 53.757 52.037 0.006 0.000 0.639 165 A CB -1.046 17.961 19.000 0.012 0.000 0.835 165 A HN 0.378 nan 8.150 nan 0.000 0.450 166 L N -0.543 120.713 121.223 0.054 0.000 2.079 166 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 166 L C 2.831 179.790 176.870 0.148 0.000 1.081 166 L CA 2.071 56.994 54.840 0.139 0.000 0.752 166 L CB -0.983 41.174 42.059 0.164 0.000 0.896 166 L HN 0.443 nan 8.230 nan 0.000 0.433 167 A N -1.569 121.300 122.820 0.080 0.000 1.855 167 A HA -0.258 4.062 4.320 -0.000 0.000 0.215 167 A C 2.248 179.861 177.584 0.048 0.000 1.191 167 A CA 1.594 53.673 52.037 0.069 0.000 0.613 167 A CB -0.664 18.362 19.000 0.043 0.000 0.829 167 A HN 0.448 nan 8.150 nan 0.000 0.442 168 Q N -0.240 119.572 119.800 0.020 0.000 2.124 168 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 168 Q C 2.150 178.132 176.000 -0.029 0.000 0.977 168 Q CA 2.298 58.100 55.803 -0.001 0.000 0.850 168 Q CB -0.397 28.336 28.738 -0.009 0.000 0.901 168 Q HN 0.833 nan 8.270 nan 0.000 0.429 169 Q N -1.619 118.144 119.800 -0.061 0.000 2.096 169 Q HA -0.145 4.195 4.340 -0.000 0.000 0.197 169 Q C 1.097 176.924 176.000 -0.289 0.000 0.964 169 Q CA 1.309 56.993 55.803 -0.198 0.000 0.838 169 Q CB -0.001 28.575 28.738 -0.270 0.000 0.906 169 Q HN 0.577 nan 8.270 nan 0.000 0.444 170 H N -0.265 118.814 119.070 0.014 0.000 2.705 170 H HA 0.194 4.750 4.556 -0.000 0.000 0.269 170 H C -0.234 175.100 175.328 0.011 0.000 0.998 170 H CA 0.074 56.130 56.048 0.014 0.000 1.193 170 H CB 0.856 30.628 29.762 0.016 0.000 1.485 170 H HN 0.091 nan 8.280 nan 0.000 0.521 171 K N 1.316 121.779 120.400 0.105 0.000 3.974 171 K HA -0.098 4.222 4.320 -0.000 0.000 0.280 171 K C -2.741 173.897 176.600 0.062 0.000 0.949 171 K CA 0.049 56.374 56.287 0.064 0.000 0.817 171 K CB -1.359 31.167 32.500 0.044 0.000 1.535 171 K HN 0.446 nan 8.250 nan 0.000 0.444 172 P HA 0.116 nan 4.420 nan 0.000 0.278 172 P C 0.744 178.041 177.300 -0.004 0.000 1.238 172 P CA -0.284 62.829 63.100 0.021 0.000 0.794 172 P CB 1.078 32.789 31.700 0.020 0.000 0.955 173 S N 2.428 118.110 115.700 -0.030 0.000 2.470 173 S HA 0.109 4.579 4.470 -0.000 0.000 0.225 173 S C 0.801 175.353 174.600 -0.080 0.000 1.006 173 S CA 0.105 58.277 58.200 -0.047 0.000 0.934 173 S CB -0.106 63.069 63.200 -0.043 0.000 0.778 173 S HN 0.476 nan 8.310 nan 0.000 0.517 174 L N 1.211 122.378 121.223 -0.092 0.000 2.470 174 L HA 0.591 4.931 4.340 -0.000 0.000 0.268 174 L C -1.847 174.982 176.870 -0.069 0.000 0.964 174 L CA -0.801 53.974 54.840 -0.109 0.000 0.839 174 L CB 2.099 44.049 42.059 -0.182 0.000 1.276 174 L HN 0.188 nan 8.230 nan 0.000 0.403 175 I N 5.204 125.759 120.570 -0.025 0.000 2.404 175 I HA 0.431 4.601 4.170 -0.000 0.000 0.293 175 I C -0.459 175.651 176.117 -0.011 0.000 0.992 175 I CA -0.554 60.760 61.300 0.023 0.000 1.149 175 I CB 2.065 40.120 38.000 0.091 0.000 1.315 175 I HN 0.428 nan 8.210 nan 0.000 0.446 176 I N 5.483 126.042 120.570 -0.017 0.000 2.378 176 I HA 0.614 4.784 4.170 -0.000 0.000 0.291 176 I C 0.120 176.184 176.117 -0.089 0.000 0.992 176 I CA -0.370 60.885 61.300 -0.075 0.000 1.154 176 I CB 1.787 39.710 38.000 -0.128 0.000 1.315 176 I HN 0.600 nan 8.210 nan 0.000 0.448 177 A N 4.239 126.933 122.820 -0.210 0.000 2.322 177 A HA 0.962 5.282 4.320 -0.000 0.000 0.327 177 A C 0.406 177.970 177.584 -0.033 0.000 1.134 177 A CA 0.121 51.955 52.037 -0.339 0.000 0.831 177 A CB 1.161 19.598 19.000 -0.938 0.000 1.288 177 A HN 1.076 nan 8.150 nan 0.000 0.472 178 G N -0.347 108.497 108.800 0.074 0.000 2.509 178 G HA2 0.061 4.021 3.960 -0.000 0.000 0.259 178 G HA3 0.061 4.021 3.960 -0.000 0.000 0.259 178 G C 0.767 175.821 174.900 0.257 0.000 1.169 178 G CA 1.075 46.291 45.100 0.193 0.000 0.953 178 G HN 2.490 nan 8.290 nan 0.000 0.563 179 F N -0.206 119.796 119.950 0.086 0.000 2.568 179 F HA -0.278 4.249 4.527 -0.000 0.000 0.650 179 F C 1.174 177.103 175.800 0.215 0.000 0.492 179 F CA 2.738 60.793 58.000 0.092 0.000 0.801 179 F CB -1.460 37.529 39.000 -0.019 0.000 1.661 179 F HN 1.295 nan 8.300 nan 0.000 0.261 180 S N 0.715 116.550 115.700 0.226 0.000 2.585 180 S HA 0.730 5.200 4.470 -0.000 0.000 0.277 180 S C 0.368 174.826 174.600 -0.236 0.000 1.241 180 S CA -0.201 58.003 58.200 0.006 0.000 1.041 180 S CB 1.516 64.753 63.200 0.063 0.000 0.987 180 S HN 0.747 nan 8.310 nan 0.000 0.512 181 A N 2.861 125.352 122.820 -0.548 0.000 3.037 181 A HA 0.258 4.578 4.320 -0.000 0.000 0.272 181 A C -0.557 176.931 177.584 -0.159 0.000 1.723 181 A CA -0.087 51.589 52.037 -0.602 0.000 1.413 181 A CB -0.912 17.720 19.000 -0.613 0.000 1.112 181 A HN 0.679 nan 8.150 nan 0.000 0.606 182 Y N 3.477 123.676 120.300 -0.168 0.000 2.326 182 Y HA 0.462 5.011 4.550 -0.000 0.000 0.337 182 Y C -1.826 174.045 175.900 -0.047 0.000 1.023 182 Y CA -2.294 55.767 58.100 -0.065 0.000 1.143 182 Y CB 1.631 40.096 38.460 0.008 0.000 1.183 182 Y HN 0.400 nan 8.280 nan 0.000 0.485 183 P HA 0.110 nan 4.420 nan 0.000 0.257 183 P C -0.419 176.654 177.300 -0.378 0.000 1.281 183 P CA 0.541 63.432 63.100 -0.347 0.000 0.826 183 P CB 0.488 32.023 31.700 -0.275 0.000 1.237 184 R N 0.429 120.529 120.500 -0.666 0.000 2.854 184 R HA 0.400 4.740 4.340 -0.000 0.000 0.271 184 R C 0.375 176.678 176.300 0.006 0.000 0.996 184 R CA -1.185 54.705 56.100 -0.350 0.000 0.961 184 R CB 1.093 31.153 30.300 -0.400 0.000 1.182 184 R HN -0.023 nan 8.270 nan 0.000 0.479 185 K N 1.269 121.727 120.400 0.097 0.000 2.559 185 K HA 0.006 4.326 4.320 -0.000 0.000 0.279 185 K C -0.087 176.686 176.600 0.288 0.000 0.967 185 K CA 0.539 56.928 56.287 0.170 0.000 1.000 185 K CB 0.244 32.705 32.500 -0.065 0.000 0.890 185 K HN 0.289 nan 8.250 nan 0.000 0.501 186 L N 2.206 123.596 121.223 0.279 0.000 2.307 186 L HA 0.153 4.493 4.340 -0.000 0.000 0.284 186 L C 0.021 176.709 176.870 -0.303 0.000 1.023 186 L CA -0.708 54.166 54.840 0.057 0.000 0.810 186 L CB 1.362 43.355 42.059 -0.110 0.000 1.231 186 L HN 0.570 nan 8.230 nan 0.000 0.423 187 D N 2.776 123.151 120.400 -0.042 0.000 2.494 187 D HA 0.134 4.774 4.640 -0.000 0.000 0.217 187 D C 0.775 177.069 176.300 -0.010 0.000 1.153 187 D CA -0.033 53.867 54.000 -0.167 0.000 0.954 187 D CB 0.358 40.969 40.800 -0.314 0.000 1.034 187 D HN 0.310 nan 8.370 nan 0.000 0.518 188 F N 1.591 121.634 119.950 0.154 0.000 2.234 188 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 188 F C 2.513 178.275 175.800 -0.063 0.000 1.087 188 F CA 0.634 58.735 58.000 0.169 0.000 1.340 188 F CB 0.016 39.099 39.000 0.138 0.000 1.031 188 F HN 0.428 nan 8.300 nan 0.000 0.500 189 A N 0.432 123.085 122.820 -0.279 0.000 1.933 189 A HA -0.234 4.086 4.320 -0.000 0.000 0.218 189 A C 2.083 179.626 177.584 -0.068 0.000 1.175 189 A CA 1.896 53.757 52.037 -0.293 0.000 0.628 189 A CB -0.621 18.185 19.000 -0.322 0.000 0.814 189 A HN 0.308 nan 8.150 nan 0.000 0.444 190 R N -1.304 119.120 120.500 -0.127 0.000 2.090 190 R HA 0.023 4.363 4.340 -0.000 0.000 0.228 190 R C 1.527 177.767 176.300 -0.100 0.000 1.110 190 R CA 1.425 57.397 56.100 -0.214 0.000 0.973 190 R CB -0.810 29.169 30.300 -0.534 0.000 0.869 190 R HN 0.381 nan 8.270 nan 0.000 0.440 191 F N 0.493 120.481 119.950 0.065 0.000 2.186 191 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 191 F C 2.375 178.236 175.800 0.102 0.000 1.090 191 F CA 1.516 59.592 58.000 0.128 0.000 1.307 191 F CB -0.319 38.810 39.000 0.216 0.000 1.019 191 F HN 0.040 nan 8.300 nan 0.000 0.489 192 R N 0.881 121.554 120.500 0.288 0.000 2.090 192 R HA 0.001 4.341 4.340 -0.000 0.000 0.228 192 R C 2.078 178.465 176.300 0.145 0.000 1.110 192 R CA 1.444 57.674 56.100 0.216 0.000 0.973 192 R CB -1.042 29.381 30.300 0.205 0.000 0.869 192 R HN 0.170 nan 8.270 nan 0.000 0.440 193 A N 0.647 123.523 122.820 0.093 0.000 1.858 193 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 193 A C 2.320 179.934 177.584 0.050 0.000 1.190 193 A CA 1.665 53.731 52.037 0.048 0.000 0.617 193 A CB -0.641 18.357 19.000 -0.003 0.000 0.827 193 A HN 0.346 nan 8.150 nan 0.000 0.443 194 I N -0.202 120.397 120.570 0.048 0.000 2.208 194 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 194 I C 2.937 179.099 176.117 0.076 0.000 1.097 194 I CA 1.073 62.400 61.300 0.045 0.000 1.363 194 I CB -0.315 37.705 38.000 0.034 0.000 1.051 194 I HN 0.374 nan 8.210 nan 0.000 0.413 195 A N 0.203 123.095 122.820 0.120 0.000 1.933 195 A HA -0.220 4.099 4.320 -0.000 0.000 0.218 195 A C 1.906 179.552 177.584 0.102 0.000 1.175 195 A CA 1.883 53.994 52.037 0.124 0.000 0.628 195 A CB -0.471 18.636 19.000 0.178 0.000 0.814 195 A HN 0.326 nan 8.150 nan 0.000 0.444 196 D N -0.363 120.099 120.400 0.104 0.000 2.269 196 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 196 D C 1.989 178.324 176.300 0.059 0.000 0.963 196 D CA 1.110 55.164 54.000 0.090 0.000 0.864 196 D CB -0.036 40.814 40.800 0.083 0.000 0.936 196 D HN 0.372 nan 8.370 nan 0.000 0.505 197 S N -0.341 115.388 115.700 0.049 0.000 2.436 197 S HA -0.055 4.415 4.470 -0.000 0.000 0.228 197 S C 1.851 176.468 174.600 0.028 0.000 1.014 197 S CA 0.660 58.880 58.200 0.032 0.000 0.950 197 S CB 0.421 63.635 63.200 0.023 0.000 0.784 197 S HN 0.319 nan 8.310 nan 0.000 0.504 198 V N -2.439 117.495 119.914 0.034 0.000 3.253 198 V HA 0.665 4.785 4.120 -0.000 0.000 0.320 198 V C 0.891 177.000 176.094 0.025 0.000 1.442 198 V CA 0.093 62.410 62.300 0.027 0.000 1.097 198 V CB -0.450 31.390 31.823 0.030 0.000 1.008 198 V HN 0.382 nan 8.190 nan 0.000 0.463 199 G N 0.569 109.387 108.800 0.030 0.000 2.198 199 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.260 199 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.260 199 G C 0.358 175.261 174.900 0.004 0.000 1.025 199 G CA 0.505 45.619 45.100 0.023 0.000 0.769 199 G HN 1.749 nan 8.290 nan 0.000 0.507 200 A N -0.509 122.318 122.820 0.012 0.000 2.293 200 A HA 0.741 5.061 4.320 -0.000 0.000 0.302 200 A C 0.595 178.145 177.584 -0.058 0.000 1.119 200 A CA -0.295 51.731 52.037 -0.018 0.000 0.823 200 A CB 0.733 19.740 19.000 0.011 0.000 1.097 200 A HN 0.342 nan 8.150 nan 0.000 0.491 201 K N 0.088 120.384 120.400 -0.173 0.000 2.144 201 K HA 0.413 4.733 4.320 -0.000 0.000 0.270 201 K C -1.229 175.336 176.600 -0.059 0.000 1.005 201 K CA -0.504 55.550 56.287 -0.387 0.000 0.932 201 K CB 1.228 33.418 32.500 -0.517 0.000 1.021 201 K HN 0.466 nan 8.250 nan 0.000 0.462 202 L N 3.871 125.222 121.223 0.214 0.000 2.287 202 L HA 0.397 4.737 4.340 -0.000 0.000 0.287 202 L C -0.722 176.222 176.870 0.123 0.000 1.022 202 L CA -0.120 54.838 54.840 0.196 0.000 0.814 202 L CB 1.247 43.458 42.059 0.253 0.000 1.217 202 L HN 0.643 nan 8.230 nan 0.000 0.420 203 M N 5.671 125.278 119.600 0.012 0.000 2.364 203 M HA 0.645 5.125 4.480 -0.000 0.000 0.334 203 M C -1.706 174.547 176.300 -0.079 0.000 1.107 203 M CA -0.605 54.673 55.300 -0.038 0.000 0.988 203 M CB 1.632 34.193 32.600 -0.065 0.000 1.673 203 M HN 0.382 nan 8.290 nan 0.000 0.441 204 V N 4.013 123.856 119.914 -0.118 0.000 2.409 204 V HA 0.300 4.420 4.120 -0.000 0.000 0.291 204 V C -0.884 175.127 176.094 -0.139 0.000 1.020 204 V CA -0.626 61.578 62.300 -0.160 0.000 0.848 204 V CB 1.631 33.239 31.823 -0.357 0.000 0.990 204 V HN 0.809 nan 8.190 nan 0.000 0.430 205 D N 5.615 125.978 120.400 -0.061 0.000 2.428 205 D HA 0.295 4.935 4.640 -0.000 0.000 0.221 205 D C 0.699 176.970 176.300 -0.049 0.000 1.123 205 D CA -0.487 53.480 54.000 -0.054 0.000 0.869 205 D CB 1.266 42.104 40.800 0.063 0.000 1.032 205 D HN 0.599 nan 8.370 nan 0.000 0.506 206 M N 1.943 121.462 119.600 -0.136 0.000 2.493 206 M HA 0.394 4.874 4.480 -0.000 0.000 0.244 206 M C 1.244 177.484 176.300 -0.101 0.000 1.182 206 M CA -0.413 54.836 55.300 -0.085 0.000 0.981 206 M CB 0.787 33.308 32.600 -0.132 0.000 1.551 206 M HN 0.164 nan 8.290 nan 0.000 0.476 207 A N 0.797 123.504 122.820 -0.187 0.000 1.948 207 A HA -0.188 4.132 4.320 -0.000 0.000 0.220 207 A C 1.841 179.282 177.584 -0.238 0.000 1.177 207 A CA 1.642 53.514 52.037 -0.275 0.000 0.636 207 A CB -1.096 17.661 19.000 -0.404 0.000 0.815 207 A HN 0.733 nan 8.150 nan 0.000 0.449 208 H N -0.907 118.145 119.070 -0.029 0.000 2.548 208 H HA 0.138 4.694 4.556 -0.000 0.000 0.268 208 H C 1.358 176.762 175.328 0.127 0.000 0.975 208 H CA 1.430 57.503 56.048 0.043 0.000 1.195 208 H CB 0.139 29.927 29.762 0.043 0.000 1.397 208 H HN 0.761 nan 8.280 nan 0.000 0.572 209 I N -4.007 116.659 120.570 0.160 0.000 4.026 209 I HA 0.440 4.609 4.170 -0.000 0.000 0.324 209 I C 1.679 177.865 176.117 0.114 0.000 1.474 209 I CA -0.192 61.183 61.300 0.124 0.000 1.107 209 I CB 0.361 38.411 38.000 0.084 0.000 1.345 209 I HN -0.159 nan 8.210 nan 0.000 0.531 210 A N 1.997 124.895 122.820 0.129 0.000 1.940 210 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 210 A C 2.260 180.093 177.584 0.415 0.000 1.176 210 A CA 2.196 54.392 52.037 0.266 0.000 0.631 210 A CB -1.208 17.947 19.000 0.258 0.000 0.814 210 A HN 0.571 nan 8.150 nan 0.000 0.446 211 G N -0.932 108.061 108.800 0.321 0.000 2.421 211 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.217 211 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.217 211 G C 1.436 176.535 174.900 0.332 0.000 1.143 211 G CA 1.113 46.484 45.100 0.451 0.000 0.784 211 G HN 0.324 nan 8.290 nan 0.000 0.541 212 V N 1.055 121.076 119.914 0.178 0.000 2.323 212 V HA -0.083 4.037 4.120 -0.000 0.000 0.244 212 V C 2.736 178.967 176.094 0.229 0.000 1.041 212 V CA 1.256 63.639 62.300 0.139 0.000 1.025 212 V CB -0.366 31.531 31.823 0.123 0.000 0.656 212 V HN 0.360 nan 8.190 nan 0.000 0.451 213 I N 0.784 121.529 120.570 0.292 0.000 2.226 213 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 213 I C 2.645 178.944 176.117 0.303 0.000 1.100 213 I CA 1.584 63.102 61.300 0.362 0.000 1.374 213 I CB -0.555 37.708 38.000 0.437 0.000 1.057 213 I HN 0.284 nan 8.210 nan 0.000 0.413 214 A N 0.480 123.473 122.820 0.288 0.000 2.019 214 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 214 A C 2.322 179.960 177.584 0.091 0.000 1.164 214 A CA 1.702 53.714 52.037 -0.041 0.000 0.644 214 A CB -0.596 18.340 19.000 -0.107 0.000 0.805 214 A HN 0.446 nan 8.150 nan 0.000 0.449 215 A N -1.799 121.157 122.820 0.227 0.000 2.251 215 A HA 0.431 4.751 4.320 -0.000 0.000 0.209 215 A C 1.670 179.322 177.584 0.112 0.000 1.187 215 A CA 1.061 53.209 52.037 0.186 0.000 0.823 215 A CB -0.853 18.214 19.000 0.112 0.000 0.846 215 A HN 1.850 nan 8.150 nan 0.000 0.486 216 G N -0.589 108.286 108.800 0.125 0.000 2.176 216 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.252 216 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.252 216 G C 0.636 175.607 174.900 0.118 0.000 1.024 216 G CA 0.378 45.549 45.100 0.118 0.000 0.755 216 G HN 0.356 nan 8.290 nan 0.000 0.507 217 R N -0.213 120.371 120.500 0.140 0.000 2.432 217 R HA 0.215 4.555 4.340 -0.000 0.000 0.260 217 R C 0.294 176.706 176.300 0.186 0.000 0.935 217 R CA 0.057 56.227 56.100 0.118 0.000 1.080 217 R CB 0.258 30.603 30.300 0.074 0.000 1.155 217 R HN 0.675 nan 8.270 nan 0.000 0.531 218 H N -0.649 118.500 119.070 0.133 0.000 3.038 218 H HA 0.386 4.942 4.556 -0.000 0.000 0.362 218 H C -1.208 174.253 175.328 0.221 0.000 1.167 218 H CA -0.771 55.376 56.048 0.165 0.000 1.197 218 H CB 2.125 32.005 29.762 0.198 0.000 1.840 218 H HN 0.055 nan 8.280 nan 0.000 0.540 219 A N 3.414 126.348 122.820 0.188 0.000 2.587 219 A HA -0.032 4.288 4.320 -0.000 0.000 0.235 219 A C 0.529 178.517 177.584 0.673 0.000 1.044 219 A CA 0.233 52.492 52.037 0.370 0.000 0.754 219 A CB -0.340 18.805 19.000 0.241 0.000 0.968 219 A HN 0.624 nan 8.150 nan 0.000 0.509 220 N N 2.992 121.976 118.700 0.474 0.000 2.408 220 N HA 0.260 5.000 4.740 -0.000 0.000 0.257 220 N C -1.706 173.972 175.510 0.281 0.000 1.064 220 N CA -2.273 50.997 53.050 0.367 0.000 0.952 220 N CB 1.224 39.868 38.487 0.262 0.000 1.093 220 N HN 0.293 nan 8.380 nan 0.000 0.490 221 P HA -0.047 nan 4.420 nan 0.000 0.233 221 P C 1.205 178.413 177.300 -0.154 0.000 1.167 221 P CA 0.345 63.196 63.100 -0.416 0.000 0.770 221 P CB 0.525 31.541 31.700 -1.140 0.000 0.837 222 V N 1.145 121.017 119.914 -0.071 0.000 2.490 222 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 222 V C 2.220 178.267 176.094 -0.079 0.000 1.061 222 V CA 1.747 64.013 62.300 -0.057 0.000 1.064 222 V CB -1.187 30.638 31.823 0.004 0.000 0.670 222 V HN 0.218 nan 8.190 nan 0.000 0.461 223 E N -1.061 119.068 120.200 -0.118 0.000 2.418 223 E HA -0.128 4.222 4.350 -0.000 0.000 0.197 223 E C 1.458 177.763 176.600 -0.491 0.000 1.026 223 E CA 1.021 57.228 56.400 -0.322 0.000 0.862 223 E CB -0.002 29.424 29.700 -0.457 0.000 0.799 223 E HN 0.796 nan 8.360 nan 0.000 0.518 224 H N -1.278 117.790 119.070 -0.003 0.000 3.436 224 H HA 0.337 4.893 4.556 -0.000 0.000 0.244 224 H C 0.078 175.380 175.328 -0.043 0.000 1.009 224 H CA 0.158 56.215 56.048 0.015 0.000 1.129 224 H CB 0.872 30.715 29.762 0.136 0.000 1.473 224 H HN 0.033 nan 8.280 nan 0.000 0.510 225 A N 0.064 122.896 122.820 0.020 0.000 2.295 225 A HA 0.287 4.607 4.320 -0.000 0.000 0.318 225 A C -0.077 177.463 177.584 -0.075 0.000 1.134 225 A CA -0.416 51.612 52.037 -0.015 0.000 0.827 225 A CB 0.528 19.488 19.000 -0.067 0.000 1.136 225 A HN 0.418 nan 8.150 nan 0.000 0.493 226 H N -0.089 118.979 119.070 -0.002 0.000 2.423 226 H HA 0.211 4.767 4.556 -0.000 0.000 0.297 226 H C 0.384 175.698 175.328 -0.023 0.000 1.075 226 H CA 2.009 58.052 56.048 -0.007 0.000 1.342 226 H CB 0.190 29.948 29.762 -0.007 0.000 1.395 226 H HN 0.337 nan 8.280 nan 0.000 0.530 227 V N -0.059 119.899 119.914 0.074 0.000 3.077 227 V HA 0.459 4.579 4.120 -0.000 0.000 0.299 227 V C -1.637 174.421 176.094 -0.060 0.000 1.276 227 V CA -0.849 61.454 62.300 0.004 0.000 0.993 227 V CB 2.442 34.269 31.823 0.005 0.000 1.076 227 V HN -0.127 nan 8.190 nan 0.000 0.434 228 V N 4.365 124.223 119.914 -0.094 0.000 2.638 228 V HA 0.733 4.852 4.120 -0.000 0.000 0.306 228 V C -0.018 175.954 176.094 -0.204 0.000 1.052 228 V CA -0.045 62.154 62.300 -0.169 0.000 0.885 228 V CB 2.239 33.934 31.823 -0.213 0.000 0.999 228 V HN 1.096 nan 8.190 nan 0.000 0.424 229 T N 0.795 115.204 114.554 -0.243 0.000 2.940 229 T HA 0.883 5.233 4.350 -0.000 0.000 0.288 229 T C -0.364 174.051 174.700 -0.474 0.000 1.033 229 T CA -0.729 61.182 62.100 -0.316 0.000 1.033 229 T CB 2.040 70.793 68.868 -0.192 0.000 1.079 229 T HN 0.792 nan 8.240 nan 0.000 0.496 230 S N -0.081 115.207 115.700 -0.686 0.000 2.611 230 S HA 0.686 5.156 4.470 -0.000 0.000 0.268 230 S C -0.681 173.593 174.600 -0.543 0.000 1.156 230 S CA -0.493 57.270 58.200 -0.728 0.000 0.817 230 S CB 1.242 63.772 63.200 -1.116 0.000 1.122 230 S HN 1.312 nan 8.310 nan 0.000 0.466 231 T N -0.191 114.205 114.554 -0.263 0.000 2.927 231 T HA 0.525 4.875 4.350 -0.000 0.000 0.281 231 T C 1.159 175.992 174.700 0.222 0.000 0.998 231 T CA 0.175 62.279 62.100 0.006 0.000 1.019 231 T CB 1.003 69.881 68.868 0.017 0.000 1.061 231 T HN 0.810 nan 8.240 nan 0.000 0.518 232 T N -2.640 112.126 114.554 0.353 0.000 3.022 232 T HA 0.111 4.461 4.350 -0.000 0.000 0.250 232 T C 1.073 175.921 174.700 0.248 0.000 1.060 232 T CA 0.078 62.382 62.100 0.338 0.000 1.013 232 T CB -0.423 68.548 68.868 0.170 0.000 0.982 232 T HN 0.888 nan 8.240 nan 0.000 0.508 233 H N 1.259 120.372 119.070 0.070 0.000 3.310 233 H HA 0.567 5.123 4.556 -0.000 0.000 0.176 233 H C 0.875 176.253 175.328 0.083 0.000 1.558 233 H CA -0.372 55.709 56.048 0.056 0.000 1.693 233 H CB -0.248 29.536 29.762 0.036 0.000 1.226 233 H HN 0.099 nan 8.280 nan 0.000 0.938 234 K N -1.646 118.657 120.400 -0.161 0.000 1.791 234 K HA -0.258 4.062 4.320 -0.000 0.000 0.140 234 K C 1.508 178.127 176.600 0.032 0.000 1.312 234 K CA 2.138 58.342 56.287 -0.140 0.000 0.382 234 K CB -1.923 30.406 32.500 -0.285 0.000 0.635 234 K HN 0.835 nan 8.250 nan 0.000 0.838 235 T N 0.109 114.676 114.554 0.021 0.000 3.113 235 T HA 0.076 4.426 4.350 -0.000 0.000 0.263 235 T C 1.725 176.614 174.700 0.315 0.000 1.143 235 T CA 1.175 63.333 62.100 0.096 0.000 1.090 235 T CB -0.051 68.755 68.868 -0.103 0.000 0.922 235 T HN 0.347 nan 8.240 nan 0.000 0.521 236 L N -0.302 121.076 121.223 0.260 0.000 2.529 236 L HA 0.399 4.739 4.340 -0.000 0.000 0.223 236 L C 1.609 178.585 176.870 0.176 0.000 1.113 236 L CA -0.118 54.886 54.840 0.274 0.000 0.861 236 L CB -0.165 42.060 42.059 0.278 0.000 1.012 236 L HN 0.246 nan 8.230 nan 0.000 0.461 237 R N 0.105 120.707 120.500 0.169 0.000 3.651 237 R HA -0.154 4.186 4.340 -0.000 0.000 0.292 237 R C 0.339 176.670 176.300 0.052 0.000 1.161 237 R CA 0.410 56.578 56.100 0.114 0.000 0.787 237 R CB -1.515 28.848 30.300 0.104 0.000 1.249 237 R HN 0.463 nan 8.270 nan 0.000 0.476 238 G N -0.101 108.728 108.800 0.050 0.000 2.795 238 G HA2 0.680 4.640 3.960 -0.000 0.000 0.267 238 G HA3 0.680 4.640 3.960 -0.000 0.000 0.267 238 G C -2.608 172.307 174.900 0.025 0.000 1.362 238 G CA -1.027 44.062 45.100 -0.018 0.000 1.048 238 G HN 0.080 nan 8.290 nan 0.000 0.547 239 P HA 0.233 nan 4.420 nan 0.000 0.272 239 P C -0.226 177.045 177.300 -0.048 0.000 1.230 239 P CA -0.550 62.527 63.100 -0.040 0.000 0.788 239 P CB 0.573 32.230 31.700 -0.073 0.000 0.949 240 R N 0.516 120.918 120.500 -0.163 0.000 2.570 240 R HA 0.463 4.802 4.340 -0.000 0.000 0.277 240 R C 0.366 176.591 176.300 -0.125 0.000 1.039 240 R CA 1.134 57.020 56.100 -0.358 0.000 1.065 240 R CB -0.562 29.489 30.300 -0.415 0.000 0.964 240 R HN 0.847 nan 8.270 nan 0.000 0.428 241 G N 0.744 109.517 108.800 -0.044 0.000 2.337 241 G HA2 0.391 4.351 3.960 -0.000 0.000 0.298 241 G HA3 0.391 4.351 3.960 -0.000 0.000 0.298 241 G C -1.262 173.710 174.900 0.120 0.000 1.335 241 G CA -0.522 44.608 45.100 0.050 0.000 0.875 241 G HN 0.871 nan 8.290 nan 0.000 0.579 242 G N -1.501 107.367 108.800 0.115 0.000 2.730 242 G HA2 1.085 5.045 3.960 -0.000 0.000 0.289 242 G HA3 1.085 5.045 3.960 -0.000 0.000 0.289 242 G C -0.997 174.049 174.900 0.243 0.000 1.341 242 G CA -0.155 45.004 45.100 0.099 0.000 0.932 242 G HN 1.756 nan 8.290 nan 0.000 0.481 243 F N -2.011 117.969 119.950 0.050 0.000 2.711 243 F HA 0.826 5.353 4.527 -0.000 0.000 0.313 243 F C -1.296 174.492 175.800 -0.019 0.000 1.141 243 F CA -1.510 56.513 58.000 0.037 0.000 0.941 243 F CB 1.589 40.653 39.000 0.105 0.000 1.349 243 F HN 0.463 nan 8.300 nan 0.000 0.464 244 V N 2.362 122.383 119.914 0.179 0.000 2.709 244 V HA 0.630 4.750 4.120 -0.000 0.000 0.308 244 V C -0.719 175.445 176.094 0.118 0.000 1.062 244 V CA -0.740 61.586 62.300 0.044 0.000 0.901 244 V CB 1.813 33.644 31.823 0.013 0.000 1.003 244 V HN 0.789 nan 8.190 nan 0.000 0.425 245 L N 2.953 124.205 121.223 0.048 0.000 2.370 245 L HA 0.924 5.264 4.340 -0.000 0.000 0.266 245 L C -0.321 176.566 176.870 0.030 0.000 1.002 245 L CA -0.330 54.543 54.840 0.055 0.000 0.818 245 L CB 2.413 44.489 42.059 0.029 0.000 1.325 245 L HN 0.748 nan 8.230 nan 0.000 0.418 246 T N -0.661 113.935 114.554 0.071 0.000 2.886 246 T HA 0.279 4.629 4.350 -0.000 0.000 0.330 246 T C -0.391 174.400 174.700 0.152 0.000 1.488 246 T CA -0.465 61.680 62.100 0.076 0.000 1.054 246 T CB 1.491 70.392 68.868 0.055 0.000 1.348 246 T HN 0.577 nan 8.240 nan 0.000 0.489 247 N N 1.535 120.303 118.700 0.114 0.000 2.299 247 N HA 0.144 4.884 4.740 -0.000 0.000 0.187 247 N C -0.451 175.180 175.510 0.202 0.000 1.099 247 N CA 0.084 53.216 53.050 0.137 0.000 0.867 247 N CB 0.389 38.896 38.487 0.033 0.000 0.974 247 N HN 0.584 nan 8.380 nan 0.000 0.477 248 D N 0.785 121.266 120.400 0.134 0.000 2.317 248 D HA 0.022 4.662 4.640 -0.000 0.000 0.234 248 D C 0.757 176.995 176.300 -0.104 0.000 1.112 248 D CA -0.114 53.917 54.000 0.052 0.000 0.840 248 D CB 1.477 42.303 40.800 0.043 0.000 1.078 248 D HN 0.131 nan 8.370 nan 0.000 0.486 249 E N 2.711 122.822 120.200 -0.147 0.000 2.204 249 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 249 E C 1.558 178.009 176.600 -0.250 0.000 0.989 249 E CA 1.389 57.531 56.400 -0.430 0.000 0.824 249 E CB 0.321 29.931 29.700 -0.150 0.000 0.756 249 E HN 0.618 nan 8.360 nan 0.000 0.477 250 E N 0.931 121.062 120.200 -0.116 0.000 2.150 250 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 250 E C 1.806 178.363 176.600 -0.073 0.000 0.985 250 E CA 1.261 57.619 56.400 -0.071 0.000 0.814 250 E CB -0.590 29.092 29.700 -0.029 0.000 0.752 250 E HN 0.417 nan 8.360 nan 0.000 0.466 251 I N 0.106 120.631 120.570 -0.075 0.000 2.406 251 I HA -0.033 4.137 4.170 -0.000 0.000 0.249 251 I C 3.048 179.117 176.117 -0.080 0.000 1.122 251 I CA 0.825 62.094 61.300 -0.052 0.000 1.431 251 I CB -0.142 37.850 38.000 -0.014 0.000 1.087 251 I HN 0.370 nan 8.210 nan 0.000 0.424 252 A N 1.042 123.768 122.820 -0.157 0.000 1.940 252 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 252 A C 2.314 179.831 177.584 -0.111 0.000 1.176 252 A CA 1.633 53.570 52.037 -0.167 0.000 0.631 252 A CB -0.413 18.346 19.000 -0.401 0.000 0.814 252 A HN 0.309 nan 8.150 nan 0.000 0.446 253 K N -0.446 119.883 120.400 -0.118 0.000 2.057 253 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 253 K C 2.066 178.640 176.600 -0.044 0.000 1.050 253 K CA 1.543 57.788 56.287 -0.071 0.000 0.935 253 K CB -0.160 32.301 32.500 -0.064 0.000 0.715 253 K HN 0.403 nan 8.250 nan 0.000 0.439 254 K N 0.848 121.223 120.400 -0.042 0.000 2.097 254 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 254 K C 2.029 178.617 176.600 -0.019 0.000 1.049 254 K CA 1.046 57.318 56.287 -0.025 0.000 0.933 254 K CB -0.048 32.438 32.500 -0.022 0.000 0.717 254 K HN 0.073 nan 8.250 nan 0.000 0.442 255 I N 1.307 121.862 120.570 -0.024 0.000 2.252 255 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 255 I C 1.717 177.828 176.117 -0.011 0.000 1.102 255 I CA 0.930 62.221 61.300 -0.014 0.000 1.385 255 I CB -0.232 37.760 38.000 -0.013 0.000 1.064 255 I HN 0.202 nan 8.210 nan 0.000 0.414 256 N N 0.397 119.087 118.700 -0.016 0.000 2.166 256 N HA -0.137 4.603 4.740 -0.000 0.000 0.186 256 N C 1.904 177.406 175.510 -0.013 0.000 1.019 256 N CA 1.384 54.427 53.050 -0.013 0.000 0.856 256 N CB -0.273 38.205 38.487 -0.015 0.000 0.993 256 N HN 0.183 nan 8.380 nan 0.000 0.426 257 S N -0.115 115.576 115.700 -0.013 0.000 2.489 257 S HA 0.154 4.624 4.470 -0.000 0.000 0.228 257 S C 1.731 176.327 174.600 -0.006 0.000 0.995 257 S CA 0.540 58.734 58.200 -0.011 0.000 0.934 257 S CB 0.178 63.372 63.200 -0.011 0.000 0.771 257 S HN 0.464 nan 8.310 nan 0.000 0.522 258 A N 0.599 123.417 122.820 -0.004 0.000 2.169 258 A HA 0.413 4.733 4.320 -0.000 0.000 0.210 258 A C 0.907 178.493 177.584 0.004 0.000 1.168 258 A CA 0.136 52.175 52.037 0.003 0.000 0.813 258 A CB 0.193 19.198 19.000 0.008 0.000 0.861 258 A HN 0.268 nan 8.150 nan 0.000 0.481 267 P HA 0.529 nan 4.420 nan 0.000 0.286 267 P C -0.634 176.806 177.300 0.232 0.000 1.261 267 P CA -0.511 62.699 63.100 0.183 0.000 0.821 267 P CB 1.536 33.292 31.700 0.092 0.000 1.013 268 L N 3.264 124.601 121.223 0.191 0.000 2.315 268 L HA 0.194 4.534 4.340 -0.000 0.000 0.278 268 L C 1.624 178.491 176.870 -0.004 0.000 1.088 268 L CA -0.597 54.290 54.840 0.079 0.000 0.899 268 L CB 0.511 42.507 42.059 -0.106 0.000 1.277 268 L HN 0.226 nan 8.230 nan 0.000 0.431 269 M N 1.350 121.061 119.600 0.184 0.000 2.229 269 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 269 M C 2.322 178.686 176.300 0.106 0.000 1.063 269 M CA 1.442 56.833 55.300 0.151 0.000 1.114 269 M CB -1.056 31.647 32.600 0.172 0.000 1.387 269 M HN 0.623 nan 8.290 nan 0.000 0.420 270 H N -0.982 118.109 119.070 0.034 0.000 2.423 270 H HA 0.066 4.622 4.556 -0.000 0.000 0.297 270 H C 2.095 177.428 175.328 0.008 0.000 1.075 270 H CA 1.236 57.292 56.048 0.013 0.000 1.342 270 H CB -1.298 28.467 29.762 0.005 0.000 1.395 270 H HN 0.234 nan 8.280 nan 0.000 0.530 271 V N 1.694 121.331 119.914 -0.462 0.000 2.379 271 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 271 V C 2.940 178.953 176.094 -0.136 0.000 1.044 271 V CA 1.287 63.416 62.300 -0.284 0.000 1.036 271 V CB -0.473 31.170 31.823 -0.300 0.000 0.664 271 V HN 0.251 nan 8.190 nan 0.000 0.453 272 I N 0.652 121.167 120.570 -0.091 0.000 2.286 272 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 272 I C 2.661 178.756 176.117 -0.036 0.000 1.115 272 I CA 1.416 62.694 61.300 -0.037 0.000 1.392 272 I CB -0.556 37.451 38.000 0.012 0.000 1.065 272 I HN 0.304 nan 8.210 nan 0.000 0.418 273 A N 0.988 123.796 122.820 -0.020 0.000 1.902 273 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 273 A C 2.444 179.997 177.584 -0.051 0.000 1.181 273 A CA 1.882 53.911 52.037 -0.012 0.000 0.623 273 A CB -1.345 17.667 19.000 0.019 0.000 0.818 273 A HN 0.455 nan 8.150 nan 0.000 0.443 274 G N -0.399 108.360 108.800 -0.069 0.000 2.422 274 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 274 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 274 G C 1.668 176.457 174.900 -0.186 0.000 1.146 274 G CA 1.067 46.109 45.100 -0.097 0.000 0.769 274 G HN 0.584 nan 8.290 nan 0.000 0.547 275 K N 0.521 120.777 120.400 -0.240 0.000 2.057 275 K HA 0.087 4.407 4.320 -0.000 0.000 0.206 275 K C 2.954 179.198 176.600 -0.594 0.000 1.050 275 K CA 0.925 56.904 56.287 -0.513 0.000 0.935 275 K CB -0.197 32.071 32.500 -0.387 0.000 0.715 275 K HN 0.255 nan 8.250 nan 0.000 0.439 276 A N 1.096 123.792 122.820 -0.207 0.000 1.902 276 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 276 A C 2.379 179.924 177.584 -0.065 0.000 1.181 276 A CA 1.427 53.445 52.037 -0.031 0.000 0.623 276 A CB -0.680 18.328 19.000 0.013 0.000 0.818 276 A HN 0.066 nan 8.150 nan 0.000 0.443 277 V N -0.212 119.639 119.914 -0.104 0.000 2.295 277 V HA -0.241 3.878 4.120 -0.000 0.000 0.246 277 V C 3.044 179.069 176.094 -0.115 0.000 1.049 277 V CA 1.993 64.244 62.300 -0.081 0.000 1.024 277 V CB -1.194 30.589 31.823 -0.065 0.000 0.648 277 V HN 0.616 nan 8.190 nan 0.000 0.447 278 A N -0.517 122.177 122.820 -0.209 0.000 1.930 278 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 278 A C 1.994 179.459 177.584 -0.199 0.000 1.175 278 A CA 1.556 53.456 52.037 -0.229 0.000 0.627 278 A CB -0.623 18.201 19.000 -0.294 0.000 0.815 278 A HN 0.452 nan 8.150 nan 0.000 0.443 279 F N 0.478 120.334 119.950 -0.157 0.000 2.186 279 F HA 0.013 4.540 4.527 -0.000 0.000 0.299 279 F C 2.602 178.278 175.800 -0.207 0.000 1.090 279 F CA 0.471 58.346 58.000 -0.208 0.000 1.307 279 F CB -1.252 37.633 39.000 -0.192 0.000 1.019 279 F HN 0.259 nan 8.300 nan 0.000 0.489 280 G N -0.383 108.435 108.800 0.030 0.000 2.418 280 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 280 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 280 G C 1.595 176.459 174.900 -0.060 0.000 1.158 280 G CA 0.648 45.736 45.100 -0.019 0.000 0.771 280 G HN 0.355 nan 8.290 nan 0.000 0.545 281 E N 0.479 120.626 120.200 -0.088 0.000 2.110 281 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 281 E C 2.799 179.291 176.600 -0.180 0.000 0.988 281 E CA 0.728 57.074 56.400 -0.090 0.000 0.804 281 E CB -0.133 29.521 29.700 -0.077 0.000 0.745 281 E HN 0.428 nan 8.360 nan 0.000 0.458 282 A N 0.701 123.275 122.820 -0.409 0.000 2.119 282 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 282 A C 1.996 179.374 177.584 -0.345 0.000 1.153 282 A CA 0.541 52.032 52.037 -0.910 0.000 0.692 282 A CB -0.238 18.153 19.000 -1.015 0.000 0.799 282 A HN 0.131 nan 8.150 nan 0.000 0.458 283 L N 0.390 121.504 121.223 -0.181 0.000 2.478 283 L HA 0.008 4.348 4.340 -0.000 0.000 0.223 283 L C 1.486 178.347 176.870 -0.015 0.000 1.140 283 L CA 0.713 55.497 54.840 -0.093 0.000 0.842 283 L CB -0.372 41.637 42.059 -0.085 0.000 0.953 283 L HN 0.536 nan 8.230 nan 0.000 0.452 284 T N -4.991 109.576 114.554 0.021 0.000 2.899 284 T HA 0.088 4.438 4.350 -0.000 0.000 0.284 284 T C 0.796 175.565 174.700 0.115 0.000 1.004 284 T CA -0.748 61.388 62.100 0.061 0.000 1.043 284 T CB 1.431 70.334 68.868 0.059 0.000 1.013 284 T HN -0.077 nan 8.240 nan 0.000 0.518 285 D N 0.798 121.247 120.400 0.083 0.000 2.149 285 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 285 D C 1.537 177.901 176.300 0.107 0.000 0.990 285 D CA 1.096 55.146 54.000 0.084 0.000 0.839 285 D CB -0.242 40.590 40.800 0.054 0.000 0.948 285 D HN 0.625 nan 8.370 nan 0.000 0.460 286 D N -0.559 119.908 120.400 0.111 0.000 2.182 286 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 286 D C 1.676 178.082 176.300 0.176 0.000 0.986 286 D CA 0.366 54.435 54.000 0.116 0.000 0.847 286 D CB -0.311 40.544 40.800 0.091 0.000 0.942 286 D HN 0.215 nan 8.370 nan 0.000 0.467 287 F N 1.430 121.422 119.950 0.071 0.000 2.206 287 F HA -0.022 4.504 4.527 -0.000 0.000 0.298 287 F C 1.983 177.872 175.800 0.147 0.000 1.090 287 F CA 1.030 59.106 58.000 0.127 0.000 1.323 287 F CB 0.159 39.209 39.000 0.084 0.000 1.028 287 F HN -0.205 nan 8.300 nan 0.000 0.492 288 K N -0.632 119.862 120.400 0.156 0.000 2.097 288 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 288 K C 1.928 178.509 176.600 -0.033 0.000 1.049 288 K CA 1.796 58.108 56.287 0.041 0.000 0.933 288 K CB -0.429 32.118 32.500 0.078 0.000 0.717 288 K HN 0.215 nan 8.250 nan 0.000 0.442 289 T N 0.315 114.877 114.554 0.014 0.000 2.857 289 T HA -0.146 4.204 4.350 -0.000 0.000 0.266 289 T C 1.449 176.144 174.700 -0.010 0.000 1.048 289 T CA 0.918 63.024 62.100 0.010 0.000 1.139 289 T CB -0.285 68.610 68.868 0.045 0.000 0.874 289 T HN 0.274 nan 8.240 nan 0.000 0.455 290 Y N 2.044 122.250 120.300 -0.157 0.000 2.114 290 Y HA -0.112 4.438 4.550 -0.000 0.000 0.284 290 Y C 1.963 177.708 175.900 -0.257 0.000 1.143 290 Y CA 0.933 58.908 58.100 -0.208 0.000 1.135 290 Y CB -0.512 37.775 38.460 -0.287 0.000 0.980 290 Y HN 0.065 nan 8.280 nan 0.000 0.499 291 I N 0.760 120.982 120.570 -0.581 0.000 2.394 291 I HA -0.228 3.941 4.170 -0.000 0.000 0.251 291 I C 2.072 177.983 176.117 -0.343 0.000 1.136 291 I CA 1.834 62.775 61.300 -0.598 0.000 1.425 291 I CB -1.446 36.289 38.000 -0.441 0.000 1.079 291 I HN 0.348 nan 8.210 nan 0.000 0.425 292 D N 0.852 121.120 120.400 -0.221 0.000 2.117 292 D HA -0.185 4.455 4.640 -0.000 0.000 0.197 292 D C 2.366 178.584 176.300 -0.138 0.000 0.987 292 D CA 1.385 55.307 54.000 -0.129 0.000 0.829 292 D CB 0.138 40.896 40.800 -0.071 0.000 0.961 292 D HN 0.188 nan 8.370 nan 0.000 0.460 293 R N -0.443 119.962 120.500 -0.159 0.000 2.090 293 R HA 0.005 4.345 4.340 -0.000 0.000 0.228 293 R C 2.437 178.624 176.300 -0.188 0.000 1.110 293 R CA 0.701 56.730 56.100 -0.117 0.000 0.973 293 R CB -0.237 30.036 30.300 -0.044 0.000 0.869 293 R HN 0.116 nan 8.270 nan 0.000 0.440 294 V N 1.638 121.351 119.914 -0.336 0.000 2.332 294 V HA -0.255 3.865 4.120 -0.000 0.000 0.248 294 V C 2.219 178.162 176.094 -0.252 0.000 1.055 294 V CA 1.748 63.832 62.300 -0.361 0.000 1.038 294 V CB -0.359 31.147 31.823 -0.529 0.000 0.651 294 V HN 0.291 nan 8.190 nan 0.000 0.450 295 L N -0.321 120.782 121.223 -0.200 0.000 2.072 295 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 295 L C 2.679 179.474 176.870 -0.125 0.000 1.079 295 L CA 1.375 56.138 54.840 -0.129 0.000 0.752 295 L CB -0.756 41.249 42.059 -0.090 0.000 0.906 295 L HN 0.333 nan 8.230 nan 0.000 0.436 296 A N 0.089 122.837 122.820 -0.119 0.000 1.969 296 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 296 A C 2.006 179.520 177.584 -0.117 0.000 1.169 296 A CA 1.520 53.502 52.037 -0.090 0.000 0.635 296 A CB -0.452 18.513 19.000 -0.059 0.000 0.810 296 A HN 0.392 nan 8.150 nan 0.000 0.445 297 N N 0.478 119.068 118.700 -0.185 0.000 2.244 297 N HA -0.044 4.696 4.740 -0.000 0.000 0.183 297 N C 1.792 177.056 175.510 -0.410 0.000 1.016 297 N CA 1.389 54.254 53.050 -0.309 0.000 0.866 297 N CB -0.465 37.702 38.487 -0.533 0.000 0.980 297 N HN 0.458 nan 8.380 nan 0.000 0.430 298 A N 0.850 123.469 122.820 -0.335 0.000 1.968 298 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 298 A C 2.096 179.585 177.584 -0.158 0.000 1.169 298 A CA 0.949 52.830 52.037 -0.260 0.000 0.638 298 A CB -0.187 18.701 19.000 -0.187 0.000 0.812 298 A HN 0.133 nan 8.150 nan 0.000 0.446 299 Q N -0.405 119.320 119.800 -0.125 0.000 2.079 299 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 299 Q C 2.423 178.387 176.000 -0.061 0.000 0.974 299 Q CA 1.550 57.306 55.803 -0.078 0.000 0.840 299 Q CB -0.690 28.011 28.738 -0.062 0.000 0.898 299 Q HN 0.640 nan 8.270 nan 0.000 0.430 300 A N 0.797 123.579 122.820 -0.065 0.000 1.898 300 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 300 A C 2.114 179.690 177.584 -0.012 0.000 1.181 300 A CA 1.262 53.283 52.037 -0.027 0.000 0.620 300 A CB -0.581 18.418 19.000 -0.002 0.000 0.819 300 A HN 0.320 nan 8.150 nan 0.000 0.442 301 L N 0.018 121.223 121.223 -0.031 0.000 2.072 301 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 301 L C 2.358 179.223 176.870 -0.008 0.000 1.079 301 L CA 2.265 57.110 54.840 0.007 0.000 0.752 301 L CB -1.079 40.981 42.059 0.001 0.000 0.906 301 L HN 0.280 nan 8.230 nan 0.000 0.436 302 G N -1.143 107.637 108.800 -0.034 0.000 2.418 302 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 302 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 302 G C 1.252 176.147 174.900 -0.009 0.000 1.158 302 G CA 0.823 45.909 45.100 -0.023 0.000 0.771 302 G HN 0.406 nan 8.290 nan 0.000 0.545 303 D N 0.059 120.450 120.400 -0.014 0.000 2.144 303 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 303 D C 2.711 179.011 176.300 0.001 0.000 0.978 303 D CA 0.433 54.428 54.000 -0.007 0.000 0.833 303 D CB -0.214 40.580 40.800 -0.011 0.000 0.961 303 D HN 0.201 nan 8.370 nan 0.000 0.470 304 V N 0.747 120.662 119.914 0.001 0.000 2.379 304 V HA -0.158 3.962 4.120 -0.000 0.000 0.245 304 V C 2.540 178.639 176.094 0.009 0.000 1.044 304 V CA 0.960 63.261 62.300 0.002 0.000 1.036 304 V CB -0.287 31.534 31.823 -0.003 0.000 0.664 304 V HN 0.199 nan 8.190 nan 0.000 0.453 305 L N -0.634 120.600 121.223 0.018 0.000 2.093 305 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 305 L C 2.577 179.487 176.870 0.066 0.000 1.085 305 L CA 1.596 56.467 54.840 0.050 0.000 0.755 305 L CB -0.587 41.516 42.059 0.073 0.000 0.904 305 L HN 0.273 nan 8.230 nan 0.000 0.435 306 K N 0.204 120.628 120.400 0.040 0.000 2.025 306 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 306 K C 2.175 178.793 176.600 0.031 0.000 1.049 306 K CA 1.334 57.641 56.287 0.033 0.000 0.933 306 K CB -0.241 32.269 32.500 0.016 0.000 0.714 306 K HN 0.249 nan 8.250 nan 0.000 0.438 307 A N 0.873 123.707 122.820 0.023 0.000 2.125 307 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 307 A C 2.073 179.673 177.584 0.027 0.000 1.156 307 A CA 1.728 53.776 52.037 0.018 0.000 0.671 307 A CB -0.595 18.411 19.000 0.010 0.000 0.794 307 A HN 0.437 nan 8.150 nan 0.000 0.459 308 G N -2.320 106.504 108.800 0.041 0.000 3.042 308 G HA2 0.381 4.341 3.960 -0.000 0.000 0.212 308 G HA3 0.381 4.341 3.960 -0.000 0.000 0.212 308 G C 1.030 175.978 174.900 0.081 0.000 1.166 308 G CA 0.477 45.611 45.100 0.056 0.000 0.767 308 G HN 1.585 nan 8.290 nan 0.000 0.546 309 G N -1.120 107.721 108.800 0.068 0.000 2.148 309 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.203 309 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.203 309 G C 0.314 175.249 174.900 0.058 0.000 0.993 309 G CA 0.343 45.477 45.100 0.057 0.000 0.661 309 G HN 1.366 nan 8.290 nan 0.000 0.518 310 V N -2.670 117.294 119.914 0.084 0.000 3.096 310 V HA 0.920 5.040 4.120 -0.000 0.000 0.319 310 V C -0.167 175.951 176.094 0.041 0.000 1.082 310 V CA -1.211 61.123 62.300 0.056 0.000 1.022 310 V CB 1.954 33.831 31.823 0.091 0.000 1.103 310 V HN 0.013 nan 8.190 nan 0.000 0.455 311 D N 0.972 121.384 120.400 0.019 0.000 2.272 311 D HA 0.686 5.326 4.640 -0.000 0.000 0.247 311 D C -0.672 175.637 176.300 0.015 0.000 0.990 311 D CA -0.155 53.854 54.000 0.014 0.000 0.931 311 D CB 1.916 42.719 40.800 0.005 0.000 1.195 311 D HN 0.605 nan 8.370 nan 0.000 0.477 312 L N 0.878 122.106 121.223 0.008 0.000 2.341 312 L HA 0.378 4.718 4.340 -0.000 0.000 0.278 312 L C -0.233 176.633 176.870 -0.006 0.000 1.005 312 L CA -1.237 53.602 54.840 -0.001 0.000 0.818 312 L CB 1.957 44.009 42.059 -0.012 0.000 1.259 312 L HN 0.003 nan 8.230 nan 0.000 0.418 313 V N 2.850 122.760 119.914 -0.007 0.000 2.493 313 V HA 0.001 4.121 4.120 -0.000 0.000 0.292 313 V C 1.187 177.269 176.094 -0.021 0.000 1.016 313 V CA 1.414 63.715 62.300 0.001 0.000 1.097 313 V CB 0.368 32.197 31.823 0.011 0.000 0.947 313 V HN 1.146 nan 8.190 nan 0.000 0.479 314 T N 1.375 115.928 114.554 -0.002 0.000 5.979 314 T HA -0.205 4.145 4.350 -0.000 0.000 0.273 314 T C 1.404 176.090 174.700 -0.024 0.000 2.195 314 T CA 1.249 63.340 62.100 -0.015 0.000 3.693 314 T CB -1.844 66.980 68.868 -0.073 0.000 0.944 314 T HN 2.600 nan 8.240 nan 0.000 1.117 315 G N -0.140 108.647 108.800 -0.020 0.000 2.159 315 G HA2 0.374 4.334 3.960 -0.000 0.000 0.256 315 G HA3 0.374 4.334 3.960 -0.000 0.000 0.256 315 G C 1.299 176.183 174.900 -0.028 0.000 0.977 315 G CA 0.563 45.652 45.100 -0.017 0.000 0.652 315 G HN 2.582 nan 8.290 nan 0.000 0.531 316 G N -2.609 106.164 108.800 -0.045 0.000 2.399 316 G HA2 0.695 4.654 3.960 -0.000 0.000 0.256 316 G HA3 0.695 4.654 3.960 -0.000 0.000 0.256 316 G C -0.786 174.063 174.900 -0.085 0.000 1.236 316 G CA 0.845 45.913 45.100 -0.055 0.000 0.914 316 G HN 1.553 nan 8.290 nan 0.000 0.482 317 T N -0.907 113.596 114.554 -0.086 0.000 2.932 317 T HA 0.540 4.890 4.350 -0.000 0.000 0.318 317 T C -1.068 173.583 174.700 -0.081 0.000 1.265 317 T CA -0.182 61.853 62.100 -0.108 0.000 1.036 317 T CB 1.868 70.666 68.868 -0.117 0.000 1.209 317 T HN 0.273 nan 8.240 nan 0.000 0.484 318 D N 2.037 122.392 120.400 -0.075 0.000 2.369 318 D HA 0.187 4.827 4.640 -0.000 0.000 0.211 318 D C 0.656 176.966 176.300 0.017 0.000 1.077 318 D CA 0.306 54.290 54.000 -0.026 0.000 0.842 318 D CB 0.452 41.247 40.800 -0.007 0.000 0.947 318 D HN 0.665 nan 8.370 nan 0.000 0.509 319 N N -0.908 117.793 118.700 0.001 0.000 3.614 319 N HA -0.007 4.732 4.740 -0.000 0.000 0.341 319 N C 0.851 176.386 175.510 0.041 0.000 1.567 319 N CA -0.416 52.680 53.050 0.078 0.000 0.641 319 N CB -0.125 38.473 38.487 0.185 0.000 2.734 319 N HN -0.154 nan 8.380 nan 0.000 0.604 320 H N -0.848 118.178 119.070 -0.072 0.000 2.553 320 H HA 0.410 4.966 4.556 -0.000 0.000 0.265 320 H C -0.176 175.096 175.328 -0.093 0.000 0.964 320 H CA -0.213 55.771 56.048 -0.108 0.000 1.156 320 H CB -0.109 29.595 29.762 -0.096 0.000 1.411 320 H HN 0.211 nan 8.280 nan 0.000 0.558 321 L N 1.627 122.533 121.223 -0.528 0.000 2.307 321 L HA 0.402 4.742 4.340 -0.000 0.000 0.282 321 L C -0.459 176.276 176.870 -0.224 0.000 1.051 321 L CA -0.649 53.936 54.840 -0.426 0.000 0.804 321 L CB 1.873 43.649 42.059 -0.471 0.000 1.197 321 L HN 0.009 nan 8.230 nan 0.000 0.431 322 L N 4.698 125.829 121.223 -0.153 0.000 2.376 322 L HA 0.484 4.824 4.340 -0.000 0.000 0.275 322 L C -0.789 176.041 176.870 -0.066 0.000 0.987 322 L CA -0.398 54.385 54.840 -0.095 0.000 0.828 322 L CB 2.001 44.025 42.059 -0.059 0.000 1.249 322 L HN 0.456 nan 8.230 nan 0.000 0.409 323 L N 4.571 125.758 121.223 -0.060 0.000 2.272 323 L HA 0.411 4.751 4.340 -0.000 0.000 0.284 323 L C -0.327 176.537 176.870 -0.009 0.000 1.045 323 L CA -0.677 54.142 54.840 -0.035 0.000 0.842 323 L CB 1.446 43.481 42.059 -0.040 0.000 1.224 323 L HN 0.308 nan 8.230 nan 0.000 0.430 324 V N 1.926 121.848 119.914 0.013 0.000 2.530 324 V HA 0.110 4.230 4.120 -0.000 0.000 0.282 324 V C 0.060 176.157 176.094 0.005 0.000 1.048 324 V CA -0.278 62.041 62.300 0.032 0.000 0.997 324 V CB 1.573 33.451 31.823 0.092 0.000 0.987 324 V HN 0.578 nan 8.190 nan 0.000 0.477 325 D N 4.281 124.678 120.400 -0.003 0.000 2.392 325 D HA 0.319 4.958 4.640 -0.000 0.000 0.228 325 D C 0.461 176.728 176.300 -0.054 0.000 1.074 325 D CA -0.252 53.736 54.000 -0.020 0.000 0.838 325 D CB 1.445 42.242 40.800 -0.004 0.000 1.067 325 D HN 0.416 nan 8.370 nan 0.000 0.511 326 L N 3.512 124.679 121.223 -0.094 0.000 2.592 326 L HA 0.212 4.552 4.340 -0.000 0.000 0.227 326 L C 2.286 179.077 176.870 -0.132 0.000 1.127 326 L CA -0.121 54.611 54.840 -0.180 0.000 0.884 326 L CB 0.074 41.989 42.059 -0.240 0.000 1.065 326 L HN 0.249 nan 8.230 nan 0.000 0.457 327 R N 0.701 121.157 120.500 -0.074 0.000 2.105 327 R HA -0.150 4.190 4.340 -0.000 0.000 0.239 327 R C -0.444 175.828 176.300 -0.048 0.000 1.135 327 R CA 1.349 57.418 56.100 -0.051 0.000 0.967 327 R CB -1.332 28.952 30.300 -0.026 0.000 0.861 327 R HN 0.306 nan 8.270 nan 0.000 0.442 328 P HA -0.100 nan 4.420 nan 0.000 0.225 328 P C 0.458 177.737 177.300 -0.035 0.000 1.148 328 P CA 1.242 64.324 63.100 -0.030 0.000 0.779 328 P CB 0.189 31.879 31.700 -0.017 0.000 0.780 329 K N -1.981 118.379 120.400 -0.066 0.000 2.358 329 K HA 0.335 4.655 4.320 -0.000 0.000 0.200 329 K C 1.066 177.625 176.600 -0.068 0.000 1.030 329 K CA 0.470 56.716 56.287 -0.069 0.000 1.097 329 K CB -0.337 32.090 32.500 -0.121 0.000 0.862 329 K HN 0.001 nan 8.250 nan 0.000 0.534 330 G N 1.417 110.177 108.800 -0.066 0.000 2.225 330 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.267 330 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.267 330 G C -0.156 174.705 174.900 -0.065 0.000 1.024 330 G CA 0.369 45.437 45.100 -0.052 0.000 0.784 330 G HN 0.177 nan 8.290 nan 0.000 0.507 331 L N -0.869 120.289 121.223 -0.108 0.000 2.387 331 L HA 0.667 5.007 4.340 -0.000 0.000 0.266 331 L C 0.351 177.160 176.870 -0.100 0.000 1.059 331 L CA -0.993 53.775 54.840 -0.121 0.000 0.801 331 L CB 1.048 42.975 42.059 -0.220 0.000 1.223 331 L HN -0.111 nan 8.230 nan 0.000 0.456 332 K N 0.491 120.847 120.400 -0.074 0.000 2.270 332 K HA 0.306 4.626 4.320 -0.000 0.000 0.255 332 K C 0.710 177.287 176.600 -0.039 0.000 0.936 332 K CA -0.450 55.809 56.287 -0.046 0.000 0.809 332 K CB 1.846 34.331 32.500 -0.024 0.000 1.131 332 K HN 0.739 nan 8.250 nan 0.000 0.427 333 G N 1.659 110.442 108.800 -0.028 0.000 2.476 333 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.218 333 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.218 333 G C 1.321 176.227 174.900 0.009 0.000 1.164 333 G CA 1.380 46.473 45.100 -0.011 0.000 0.768 333 G HN 0.619 nan 8.290 nan 0.000 0.560 334 A N 0.158 122.983 122.820 0.009 0.000 1.877 334 A HA -0.063 4.256 4.320 -0.000 0.000 0.216 334 A C 2.339 179.938 177.584 0.025 0.000 1.186 334 A CA 1.939 53.987 52.037 0.018 0.000 0.620 334 A CB -0.450 18.558 19.000 0.015 0.000 0.822 334 A HN 0.447 nan 8.150 nan 0.000 0.443 335 Q N -0.660 119.151 119.800 0.019 0.000 2.119 335 Q HA -0.085 4.255 4.340 -0.000 0.000 0.201 335 Q C 2.095 178.121 176.000 0.044 0.000 0.972 335 Q CA 1.489 57.308 55.803 0.027 0.000 0.847 335 Q CB -0.209 28.539 28.738 0.016 0.000 0.903 335 Q HN 0.499 nan 8.270 nan 0.000 0.433 336 V N 0.825 120.764 119.914 0.042 0.000 2.379 336 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 336 V C 2.155 178.314 176.094 0.108 0.000 1.044 336 V CA 1.818 64.171 62.300 0.089 0.000 1.036 336 V CB -0.450 31.412 31.823 0.065 0.000 0.664 336 V HN 0.408 nan 8.190 nan 0.000 0.453 337 E N 0.036 120.283 120.200 0.078 0.000 2.058 337 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 337 E C 2.228 178.869 176.600 0.068 0.000 0.997 337 E CA 1.773 58.217 56.400 0.073 0.000 0.801 337 E CB -0.051 29.682 29.700 0.054 0.000 0.746 337 E HN 0.691 nan 8.360 nan 0.000 0.450 338 Q N -0.096 119.739 119.800 0.059 0.000 2.079 338 Q HA -0.108 4.232 4.340 -0.000 0.000 0.200 338 Q C 2.158 178.194 176.000 0.060 0.000 0.974 338 Q CA 1.477 57.312 55.803 0.054 0.000 0.840 338 Q CB -0.128 28.637 28.738 0.046 0.000 0.898 338 Q HN 0.337 nan 8.270 nan 0.000 0.430 339 A N 0.666 123.528 122.820 0.069 0.000 1.898 339 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 339 A C 2.050 179.675 177.584 0.067 0.000 1.181 339 A CA 0.954 53.034 52.037 0.072 0.000 0.620 339 A CB -0.607 18.445 19.000 0.086 0.000 0.819 339 A HN 0.281 nan 8.150 nan 0.000 0.442 340 L N -0.824 120.447 121.223 0.080 0.000 2.046 340 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 340 L C 2.677 179.579 176.870 0.053 0.000 1.077 340 L CA 1.859 56.738 54.840 0.065 0.000 0.747 340 L CB -0.427 41.681 42.059 0.082 0.000 0.896 340 L HN 0.613 nan 8.230 nan 0.000 0.432 341 E N 0.316 120.551 120.200 0.058 0.000 2.110 341 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 341 E C 2.294 178.924 176.600 0.050 0.000 0.988 341 E CA 0.962 57.394 56.400 0.054 0.000 0.804 341 E CB 0.123 29.855 29.700 0.053 0.000 0.745 341 E HN 0.361 nan 8.360 nan 0.000 0.458 342 R N -0.372 120.158 120.500 0.049 0.000 2.148 342 R HA -0.027 4.313 4.340 -0.000 0.000 0.227 342 R C 1.930 178.246 176.300 0.027 0.000 1.103 342 R CA 0.916 57.043 56.100 0.045 0.000 0.983 342 R CB -0.020 30.311 30.300 0.053 0.000 0.874 342 R HN 0.107 nan 8.270 nan 0.000 0.451 343 A N -0.108 122.728 122.820 0.025 0.000 2.275 343 A HA 0.269 4.589 4.320 -0.000 0.000 0.212 343 A C 1.206 178.805 177.584 0.025 0.000 1.201 343 A CA 0.619 52.662 52.037 0.011 0.000 0.843 343 A CB 0.207 19.210 19.000 0.005 0.000 0.873 343 A HN 0.401 nan 8.150 nan 0.000 0.492 344 G N -0.794 108.031 108.800 0.040 0.000 2.132 344 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.234 344 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.234 344 G C -0.096 174.836 174.900 0.053 0.000 0.989 344 G CA 0.226 45.359 45.100 0.055 0.000 0.676 344 G HN 0.512 nan 8.290 nan 0.000 0.522 345 I N 2.086 122.684 120.570 0.047 0.000 2.439 345 I HA 0.390 4.560 4.170 -0.000 0.000 0.283 345 I C 0.437 176.588 176.117 0.058 0.000 1.023 345 I CA -0.523 60.807 61.300 0.050 0.000 1.100 345 I CB 1.937 39.958 38.000 0.035 0.000 1.238 345 I HN 0.204 nan 8.210 nan 0.000 0.445 346 T N 2.630 117.222 114.554 0.064 0.000 2.799 346 T HA 0.668 5.018 4.350 -0.000 0.000 0.286 346 T C -0.102 174.641 174.700 0.072 0.000 0.973 346 T CA -0.618 61.521 62.100 0.065 0.000 1.035 346 T CB 1.314 70.219 68.868 0.061 0.000 0.932 346 T HN 0.796 nan 8.240 nan 0.000 0.469 347 C N 1.925 121.267 119.300 0.070 0.000 3.311 347 C HA 0.796 5.256 4.460 -0.000 0.000 0.366 347 C C -1.216 173.810 174.990 0.060 0.000 1.694 347 C CA -1.252 57.808 59.018 0.070 0.000 1.244 347 C CB 0.443 28.230 27.740 0.078 0.000 2.038 347 C HN 0.963 nan 8.230 nan 0.000 0.436 348 N N 0.396 119.128 118.700 0.053 0.000 2.269 348 N HA 0.519 5.259 4.740 -0.000 0.000 0.304 348 N C -1.232 174.301 175.510 0.038 0.000 1.072 348 N CA -0.734 52.342 53.050 0.042 0.000 0.802 348 N CB 1.534 40.042 38.487 0.034 0.000 1.348 348 N HN 0.840 nan 8.380 nan 0.000 0.484 349 K N 0.517 120.937 120.400 0.033 0.000 2.380 349 K HA 0.162 4.482 4.320 -0.000 0.000 0.267 349 K C -0.806 175.802 176.600 0.014 0.000 0.990 349 K CA -0.146 56.155 56.287 0.024 0.000 0.946 349 K CB 0.425 32.937 32.500 0.020 0.000 0.937 349 K HN 0.526 nan 8.250 nan 0.000 0.491 350 N N 0.507 119.211 118.700 0.006 0.000 2.503 350 N HA 0.226 4.965 4.740 -0.000 0.000 0.287 350 N C -1.341 174.166 175.510 -0.006 0.000 1.096 350 N CA -0.458 52.591 53.050 -0.003 0.000 0.936 350 N CB 1.907 40.391 38.487 -0.006 0.000 1.570 350 N HN 0.803 nan 8.380 nan 0.000 0.504 351 G N 3.544 112.338 108.800 -0.010 0.000 2.335 351 G HA2 0.323 4.283 3.960 -0.000 0.000 0.268 351 G HA3 0.323 4.283 3.960 -0.000 0.000 0.268 351 G C 0.704 175.594 174.900 -0.015 0.000 1.228 351 G CA -0.368 44.724 45.100 -0.013 0.000 0.968 351 G HN 0.741 nan 8.290 nan 0.000 0.459 352 I N 1.367 121.934 120.570 -0.003 0.000 2.882 352 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 352 I C -2.220 173.901 176.117 0.006 0.000 1.139 352 I CA -2.245 59.061 61.300 0.010 0.000 1.379 352 I CB 0.769 38.785 38.000 0.027 0.000 1.410 352 I HN 0.157 nan 8.210 nan 0.000 0.594 353 P HA 0.101 nan 4.420 nan 0.000 0.265 353 P C -0.765 176.603 177.300 0.113 0.000 1.193 353 P CA 0.314 63.395 63.100 -0.032 0.000 0.765 353 P CB -0.106 31.645 31.700 0.084 0.000 0.823 354 F N -0.640 119.315 119.950 0.007 0.000 3.091 354 F HA -0.233 4.294 4.527 0.000 0.000 0.288 354 F C 0.895 176.696 175.800 0.002 0.000 0.907 354 F CA 0.531 58.534 58.000 0.005 0.000 1.028 354 F CB -2.090 36.914 39.000 0.007 0.000 1.022 354 F HN 0.351 nan 8.300 nan 0.000 0.665 355 D N 2.332 122.783 120.400 0.085 0.000 2.488 355 D HA 0.018 4.658 4.640 -0.000 0.000 0.238 355 D C -0.831 175.503 176.300 0.055 0.000 1.138 355 D CA -0.657 53.377 54.000 0.056 0.000 0.873 355 D CB 1.082 41.892 40.800 0.016 0.000 1.183 355 D HN 0.085 nan 8.370 nan 0.000 0.458 356 P HA 0.073 nan 4.420 nan 0.000 0.249 356 P C -0.130 177.183 177.300 0.021 0.000 1.229 356 P CA 0.309 63.431 63.100 0.036 0.000 0.788 356 P CB 0.644 32.361 31.700 0.027 0.000 1.072 357 E N 1.309 121.518 120.200 0.015 0.000 2.222 357 E HA 0.186 4.536 4.350 -0.000 0.000 0.272 357 E C 0.354 176.957 176.600 0.006 0.000 0.982 357 E CA -0.741 55.663 56.400 0.007 0.000 0.842 357 E CB 1.761 31.462 29.700 0.001 0.000 1.144 357 E HN 0.265 nan 8.360 nan 0.000 0.397 358 K N 0.953 121.356 120.400 0.005 0.000 2.276 358 K HA 0.155 4.475 4.320 -0.000 0.000 0.259 358 K C -1.938 174.663 176.600 0.001 0.000 1.001 358 K CA -1.118 55.171 56.287 0.003 0.000 0.927 358 K CB 0.320 32.823 32.500 0.004 0.000 0.969 358 K HN -0.021 nan 8.250 nan 0.000 0.490 359 P HA -0.117 nan 4.420 nan 0.000 0.225 359 P C 0.703 178.004 177.300 0.002 0.000 1.148 359 P CA 1.125 64.224 63.100 -0.002 0.000 0.779 359 P CB -0.056 31.643 31.700 -0.003 0.000 0.780 360 T N -5.094 109.462 114.554 0.004 0.000 3.107 360 T HA 0.137 4.487 4.350 -0.000 0.000 0.249 360 T C 1.357 176.060 174.700 0.006 0.000 1.096 360 T CA 0.224 62.328 62.100 0.006 0.000 1.012 360 T CB -0.277 68.595 68.868 0.007 0.000 0.977 360 T HN -0.130 nan 8.240 nan 0.000 0.527 361 I N 1.603 122.175 120.570 0.003 0.000 3.523 361 I HA 0.214 4.384 4.170 -0.000 0.000 0.244 361 I C 1.205 177.322 176.117 -0.001 0.000 1.110 361 I CA 1.481 62.782 61.300 0.002 0.000 1.517 361 I CB -1.217 36.783 38.000 0.000 0.000 1.505 361 I HN 0.606 nan 8.210 nan 0.000 0.460 362 T N -0.472 114.081 114.554 -0.003 0.000 0.541 362 T HA -0.197 4.153 4.350 -0.000 0.000 0.774 362 T C 0.349 175.042 174.700 -0.012 0.000 0.992 362 T CA 0.552 62.649 62.100 -0.005 0.000 4.077 362 T CB -1.337 67.529 68.868 -0.004 0.000 2.303 362 T HN 0.179 nan 8.240 nan 0.000 0.398 363 S N 1.013 116.705 115.700 -0.013 0.000 2.650 363 S HA 0.598 5.067 4.470 -0.000 0.000 0.240 363 S C 0.712 175.291 174.600 -0.035 0.000 1.007 363 S CA -0.024 58.161 58.200 -0.025 0.000 0.984 363 S CB 0.682 63.874 63.200 -0.013 0.000 0.910 363 S HN 1.258 nan 8.310 nan 0.000 0.509 364 G N 1.506 110.291 108.800 -0.025 0.000 2.684 364 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 364 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 364 G C -1.372 173.527 174.900 -0.003 0.000 1.425 364 G CA -0.846 44.242 45.100 -0.020 0.000 0.822 364 G HN 0.295 nan 8.290 nan 0.000 0.482 365 I N -2.305 118.275 120.570 0.016 0.000 2.828 365 I HA 0.814 4.984 4.170 -0.000 0.000 0.302 365 I C -0.738 175.397 176.117 0.031 0.000 1.101 365 I CA -1.346 59.977 61.300 0.039 0.000 1.031 365 I CB 2.688 40.738 38.000 0.082 0.000 1.231 365 I HN 0.493 nan 8.210 nan 0.000 0.427 366 R N 4.828 125.343 120.500 0.024 0.000 2.387 366 R HA 0.746 5.086 4.340 -0.000 0.000 0.314 366 R C -1.762 174.550 176.300 0.020 0.000 0.958 366 R CA -0.610 55.492 56.100 0.004 0.000 0.846 366 R CB 1.441 31.730 30.300 -0.018 0.000 1.147 366 R HN 0.787 nan 8.270 nan 0.000 0.447 367 L N 2.540 123.768 121.223 0.008 0.000 2.333 367 L HA 0.770 5.110 4.340 -0.000 0.000 0.269 367 L C 0.266 177.129 176.870 -0.012 0.000 1.010 367 L CA -1.113 53.742 54.840 0.025 0.000 0.818 367 L CB 2.319 44.404 42.059 0.043 0.000 1.306 367 L HN 0.796 nan 8.230 nan 0.000 0.430 368 G N -1.169 107.649 108.800 0.030 0.000 2.706 368 G HA2 0.457 4.417 3.960 -0.000 0.000 0.297 368 G HA3 0.457 4.417 3.960 -0.000 0.000 0.297 368 G C 0.098 175.039 174.900 0.068 0.000 1.403 368 G CA -0.070 45.047 45.100 0.028 0.000 0.954 368 G HN 0.616 nan 8.290 nan 0.000 0.500 369 T N -1.246 113.298 114.554 -0.017 0.000 3.107 369 T HA 0.200 4.550 4.350 -0.000 0.000 0.249 369 T C -0.879 173.859 174.700 0.063 0.000 1.096 369 T CA -0.015 62.021 62.100 -0.108 0.000 1.012 369 T CB 0.134 68.653 68.868 -0.582 0.000 0.977 369 T HN 0.215 nan 8.240 nan 0.000 0.527 370 P HA 0.039 nan 4.420 nan 0.000 0.215 370 P C 1.870 179.301 177.300 0.218 0.000 1.153 370 P CA 1.449 64.628 63.100 0.133 0.000 0.853 370 P CB -0.266 31.514 31.700 0.133 0.000 0.788 371 A N -0.247 122.671 122.820 0.164 0.000 1.898 371 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 371 A C 2.488 180.076 177.584 0.007 0.000 1.181 371 A CA 1.996 54.086 52.037 0.089 0.000 0.620 371 A CB -1.865 17.174 19.000 0.065 0.000 0.819 371 A HN 0.270 nan 8.150 nan 0.000 0.442 372 G N -1.243 107.602 108.800 0.075 0.000 2.422 372 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.218 372 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.218 372 G C 1.505 176.340 174.900 -0.108 0.000 1.140 372 G CA 1.596 46.586 45.100 -0.182 0.000 0.775 372 G HN 0.438 nan 8.290 nan 0.000 0.545 373 T N 0.765 115.477 114.554 0.262 0.000 2.857 373 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 373 T C 2.614 177.440 174.700 0.210 0.000 1.048 373 T CA 1.597 63.860 62.100 0.272 0.000 1.139 373 T CB -0.365 68.612 68.868 0.182 0.000 0.874 373 T HN 0.250 nan 8.240 nan 0.000 0.455 374 T N 2.402 117.073 114.554 0.195 0.000 2.788 374 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 374 T C 2.004 176.646 174.700 -0.096 0.000 1.044 374 T CA 1.152 63.260 62.100 0.014 0.000 1.139 374 T CB -0.186 68.633 68.868 -0.082 0.000 0.867 374 T HN 0.576 nan 8.240 nan 0.000 0.454 375 R N 0.795 121.178 120.500 -0.195 0.000 2.299 375 R HA 0.278 4.618 4.340 -0.000 0.000 0.197 375 R C 1.570 177.813 176.300 -0.095 0.000 0.971 375 R CA 0.941 56.903 56.100 -0.230 0.000 1.030 375 R CB 0.048 30.118 30.300 -0.382 0.000 0.932 375 R HN 0.386 nan 8.270 nan 0.000 0.477 376 G N -0.064 108.685 108.800 -0.084 0.000 2.205 376 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.180 376 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.180 376 G C -0.251 174.649 174.900 0.001 0.000 1.004 376 G CA -0.567 44.605 45.100 0.120 0.000 0.670 376 G HN 0.123 nan 8.290 nan 0.000 0.496 377 F N 1.888 121.570 119.950 -0.447 0.000 2.607 377 F HA 0.501 5.028 4.527 -0.000 0.000 0.374 377 F C 1.372 177.092 175.800 -0.134 0.000 1.104 377 F CA 0.189 57.832 58.000 -0.594 0.000 1.296 377 F CB 0.559 39.160 39.000 -0.665 0.000 1.085 377 F HN 0.224 nan 8.300 nan 0.000 0.584 378 G N 0.985 109.824 108.800 0.065 0.000 2.938 378 G HA2 0.519 4.479 3.960 -0.000 0.000 0.258 378 G HA3 0.519 4.479 3.960 -0.000 0.000 0.258 378 G C 0.643 175.638 174.900 0.158 0.000 1.356 378 G CA -0.174 45.006 45.100 0.132 0.000 1.052 378 G HN 0.738 nan 8.290 nan 0.000 0.550 379 A N -0.735 122.150 122.820 0.109 0.000 1.940 379 A HA 0.156 4.476 4.320 -0.000 0.000 0.219 379 A C 2.659 180.279 177.584 0.061 0.000 1.176 379 A CA 2.668 54.762 52.037 0.094 0.000 0.631 379 A CB -0.890 18.135 19.000 0.041 0.000 0.814 379 A HN 1.313 nan 8.150 nan 0.000 0.446 380 A N -0.462 122.368 122.820 0.017 0.000 1.930 380 A HA -0.094 4.226 4.320 -0.000 0.000 0.217 380 A C 1.889 179.412 177.584 -0.103 0.000 1.175 380 A CA 1.904 53.927 52.037 -0.024 0.000 0.627 380 A CB -0.379 18.616 19.000 -0.009 0.000 0.815 380 A HN 0.487 nan 8.150 nan 0.000 0.443 381 E N -0.955 119.125 120.200 -0.201 0.000 2.107 381 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 381 E C 1.452 177.718 176.600 -0.556 0.000 0.982 381 E CA 0.885 56.964 56.400 -0.534 0.000 0.809 381 E CB -0.358 28.720 29.700 -1.036 0.000 0.756 381 E HN 0.640 nan 8.360 nan 0.000 0.459 382 F N 0.704 120.495 119.950 -0.265 0.000 2.325 382 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 382 F C 2.071 177.796 175.800 -0.126 0.000 1.090 382 F CA 0.924 58.831 58.000 -0.154 0.000 1.392 382 F CB 0.046 39.009 39.000 -0.061 0.000 1.053 382 F HN -0.087 nan 8.300 nan 0.000 0.521 383 R N -0.061 120.462 120.500 0.039 0.000 2.092 383 R HA -0.181 4.159 4.340 -0.000 0.000 0.231 383 R C 2.136 178.403 176.300 -0.055 0.000 1.119 383 R CA 1.529 57.628 56.100 -0.002 0.000 0.970 383 R CB -0.523 29.771 30.300 -0.010 0.000 0.864 383 R HN 0.357 nan 8.270 nan 0.000 0.440 384 E N 0.743 120.875 120.200 -0.114 0.000 2.077 384 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 384 E C 1.886 178.400 176.600 -0.144 0.000 0.989 384 E CA 1.205 57.522 56.400 -0.138 0.000 0.800 384 E CB 0.162 29.749 29.700 -0.188 0.000 0.746 384 E HN 0.070 nan 8.360 nan 0.000 0.452 385 V N 0.680 120.485 119.914 -0.182 0.000 2.343 385 V HA -0.198 3.921 4.120 -0.000 0.000 0.247 385 V C 2.399 178.442 176.094 -0.084 0.000 1.051 385 V CA 1.892 64.107 62.300 -0.141 0.000 1.036 385 V CB -0.888 30.846 31.823 -0.148 0.000 0.654 385 V HN 0.525 nan 8.190 nan 0.000 0.451 386 G N -0.259 108.512 108.800 -0.049 0.000 2.422 386 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.218 386 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.218 386 G C 1.749 176.583 174.900 -0.110 0.000 1.146 386 G CA 0.587 45.652 45.100 -0.058 0.000 0.769 386 G HN 0.437 nan 8.290 nan 0.000 0.547 387 R N -0.343 120.103 120.500 -0.090 0.000 2.092 387 R HA 0.141 4.481 4.340 -0.000 0.000 0.231 387 R C 2.573 178.807 176.300 -0.111 0.000 1.119 387 R CA 0.607 56.655 56.100 -0.088 0.000 0.970 387 R CB -0.377 29.885 30.300 -0.064 0.000 0.864 387 R HN 0.334 nan 8.270 nan 0.000 0.440 388 L N 0.353 121.507 121.223 -0.114 0.000 2.109 388 L HA -0.118 4.222 4.340 -0.000 0.000 0.207 388 L C 2.340 179.113 176.870 -0.163 0.000 1.086 388 L CA 1.027 55.802 54.840 -0.110 0.000 0.760 388 L CB -0.286 41.720 42.059 -0.089 0.000 0.910 388 L HN 0.146 nan 8.230 nan 0.000 0.437 389 I N -0.181 120.251 120.570 -0.229 0.000 2.226 389 I HA -0.324 3.846 4.170 -0.000 0.000 0.245 389 I C 2.353 178.058 176.117 -0.686 0.000 1.100 389 I CA 1.428 62.476 61.300 -0.421 0.000 1.374 389 I CB -0.175 37.553 38.000 -0.453 0.000 1.057 389 I HN 0.226 nan 8.210 nan 0.000 0.413 390 L N 0.116 121.042 121.223 -0.495 0.000 2.141 390 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 390 L C 2.393 179.184 176.870 -0.132 0.000 1.094 390 L CA 1.212 55.844 54.840 -0.346 0.000 0.763 390 L CB -0.539 41.437 42.059 -0.137 0.000 0.908 390 L HN 0.261 nan 8.230 nan 0.000 0.437 391 E N -0.368 119.761 120.200 -0.117 0.000 2.110 391 E HA -0.175 4.174 4.350 -0.000 0.000 0.193 391 E C 2.263 178.857 176.600 -0.011 0.000 0.988 391 E CA 1.176 57.550 56.400 -0.044 0.000 0.804 391 E CB 0.002 29.674 29.700 -0.046 0.000 0.745 391 E HN 0.287 nan 8.360 nan 0.000 0.458 392 V N 0.913 120.802 119.914 -0.042 0.000 2.379 392 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 392 V C 1.961 178.164 176.094 0.182 0.000 1.044 392 V CA 1.272 63.595 62.300 0.038 0.000 1.036 392 V CB -0.480 31.354 31.823 0.018 0.000 0.664 392 V HN 0.190 nan 8.190 nan 0.000 0.453 393 F N 0.840 120.796 119.950 0.010 0.000 2.126 393 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 393 F C 2.533 178.339 175.800 0.009 0.000 1.096 393 F CA 1.903 59.909 58.000 0.011 0.000 1.255 393 F CB -0.975 38.031 39.000 0.010 0.000 0.997 393 F HN 0.241 nan 8.300 nan 0.000 0.479 394 E N 0.089 120.415 120.200 0.211 0.000 2.150 394 E HA -0.060 4.290 4.350 -0.000 0.000 0.193 394 E C 2.204 178.854 176.600 0.084 0.000 0.985 394 E CA 1.090 57.562 56.400 0.119 0.000 0.814 394 E CB -0.359 29.389 29.700 0.079 0.000 0.752 394 E HN 0.203 nan 8.360 nan 0.000 0.466 395 A N 0.087 122.956 122.820 0.081 0.000 1.969 395 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 395 A C 2.108 179.729 177.584 0.062 0.000 1.169 395 A CA 0.946 53.019 52.037 0.060 0.000 0.635 395 A CB -0.504 18.527 19.000 0.052 0.000 0.810 395 A HN 0.314 nan 8.150 nan 0.000 0.445 396 L N -1.147 120.124 121.223 0.081 0.000 2.376 396 L HA -0.049 4.291 4.340 -0.000 0.000 0.219 396 L C 2.626 179.519 176.870 0.039 0.000 1.133 396 L CA 0.431 55.308 54.840 0.063 0.000 0.816 396 L CB -0.333 41.771 42.059 0.075 0.000 0.933 396 L HN 0.354 nan 8.230 nan 0.000 0.449 397 R N -0.376 120.149 120.500 0.042 0.000 2.115 397 R HA -0.101 4.239 4.340 -0.000 0.000 0.230 397 R C 2.132 178.444 176.300 0.020 0.000 1.111 397 R CA 1.883 57.997 56.100 0.025 0.000 0.976 397 R CB -0.172 30.146 30.300 0.031 0.000 0.870 397 R HN 0.482 nan 8.270 nan 0.000 0.445 398 T N -2.498 112.072 114.554 0.026 0.000 3.034 398 T HA 0.131 4.481 4.350 -0.000 0.000 0.248 398 T C 0.835 175.549 174.700 0.023 0.000 1.040 398 T CA 0.036 62.149 62.100 0.022 0.000 1.107 398 T CB 0.261 69.143 68.868 0.023 0.000 0.932 398 T HN -0.046 nan 8.240 nan 0.000 0.474 399 N N 2.249 120.966 118.700 0.029 0.000 2.844 399 N HA 0.263 5.002 4.740 -0.000 0.000 0.268 399 N C -2.266 173.264 175.510 0.033 0.000 1.574 399 N CA -1.506 51.562 53.050 0.030 0.000 0.838 399 N CB 1.751 40.259 38.487 0.036 0.000 1.177 399 N HN 0.222 nan 8.380 nan 0.000 0.495 400 P HA -0.145 nan 4.420 nan 0.000 0.220 400 P C 0.971 178.287 177.300 0.028 0.000 1.144 400 P CA 1.476 64.589 63.100 0.022 0.000 0.800 400 P CB 0.354 32.061 31.700 0.012 0.000 0.772 401 E N 0.179 120.397 120.200 0.029 0.000 2.478 401 E HA 0.383 4.733 4.350 -0.000 0.000 0.194 401 E C 1.044 177.669 176.600 0.041 0.000 1.045 401 E CA 0.583 57.001 56.400 0.030 0.000 0.868 401 E CB -0.417 29.298 29.700 0.025 0.000 0.885 401 E HN 0.448 nan 8.360 nan 0.000 0.505 402 G N -0.045 108.784 108.800 0.048 0.000 2.402 402 G HA2 0.268 4.228 3.960 -0.000 0.000 0.666 402 G HA3 0.268 4.228 3.960 -0.000 0.000 0.666 402 G C -1.696 173.244 174.900 0.066 0.000 1.402 402 G CA -0.242 44.894 45.100 0.061 0.000 0.920 402 G HN 0.328 nan 8.290 nan 0.000 0.651 403 D N -0.511 119.931 120.400 0.071 0.000 2.375 403 D HA 0.303 4.943 4.640 -0.000 0.000 0.259 403 D C 1.146 177.498 176.300 0.085 0.000 1.235 403 D CA -0.587 53.457 54.000 0.074 0.000 0.924 403 D CB 0.297 41.129 40.800 0.052 0.000 1.143 403 D HN 0.557 nan 8.370 nan 0.000 0.529 404 H N 3.176 122.257 119.070 0.018 0.000 2.390 404 H HA -0.206 4.350 4.556 -0.000 0.000 0.298 404 H C 1.338 176.674 175.328 0.013 0.000 1.106 404 H CA 1.952 58.010 56.048 0.016 0.000 1.297 404 H CB 0.514 30.283 29.762 0.012 0.000 1.375 404 H HN 0.506 nan 8.280 nan 0.000 0.509 405 A N -0.244 122.595 122.820 0.032 0.000 1.930 405 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 405 A C 2.623 180.170 177.584 -0.062 0.000 1.175 405 A CA 1.847 53.873 52.037 -0.019 0.000 0.627 405 A CB -0.784 18.236 19.000 0.035 0.000 0.815 405 A HN 0.480 nan 8.150 nan 0.000 0.443 406 T N -0.207 114.327 114.554 -0.033 0.000 2.809 406 T HA -0.071 4.279 4.350 -0.000 0.000 0.260 406 T C 1.769 176.439 174.700 -0.051 0.000 1.039 406 T CA 1.498 63.581 62.100 -0.028 0.000 1.141 406 T CB -0.211 68.657 68.868 -0.000 0.000 0.869 406 T HN 0.641 nan 8.240 nan 0.000 0.437 407 E N 0.839 121.001 120.200 -0.064 0.000 2.085 407 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 407 E C 2.541 179.075 176.600 -0.110 0.000 0.994 407 E CA 0.880 57.239 56.400 -0.069 0.000 0.801 407 E CB -0.020 29.648 29.700 -0.053 0.000 0.743 407 E HN 0.294 nan 8.360 nan 0.000 0.453 408 Q N 0.122 119.800 119.800 -0.202 0.000 2.137 408 Q HA -0.078 4.262 4.340 -0.000 0.000 0.198 408 Q C 2.060 177.997 176.000 -0.106 0.000 0.960 408 Q CA 0.902 56.585 55.803 -0.201 0.000 0.847 408 Q CB -0.216 28.316 28.738 -0.344 0.000 0.915 408 Q HN 0.225 nan 8.270 nan 0.000 0.448 409 R N 0.336 120.784 120.500 -0.086 0.000 2.081 409 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 409 R C 2.073 178.354 176.300 -0.033 0.000 1.131 409 R CA 1.116 57.187 56.100 -0.049 0.000 0.960 409 R CB 0.023 30.300 30.300 -0.038 0.000 0.856 409 R HN 0.063 nan 8.270 nan 0.000 0.436 410 V N 1.220 121.113 119.914 -0.035 0.000 2.343 410 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 410 V C 2.596 178.688 176.094 -0.004 0.000 1.051 410 V CA 2.103 64.389 62.300 -0.024 0.000 1.036 410 V CB -0.663 31.142 31.823 -0.030 0.000 0.654 410 V HN 0.413 nan 8.190 nan 0.000 0.451 411 R N -0.013 120.483 120.500 -0.007 0.000 2.127 411 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 411 R C 2.481 178.820 176.300 0.065 0.000 1.134 411 R CA 1.513 57.629 56.100 0.027 0.000 0.975 411 R CB -0.140 30.165 30.300 0.009 0.000 0.865 411 R HN 0.448 nan 8.270 nan 0.000 0.447 412 R N 0.015 120.532 120.500 0.028 0.000 2.090 412 R HA -0.065 4.275 4.340 -0.000 0.000 0.228 412 R C 2.035 178.394 176.300 0.098 0.000 1.110 412 R CA 1.319 57.443 56.100 0.039 0.000 0.973 412 R CB -0.078 30.212 30.300 -0.017 0.000 0.869 412 R HN 0.407 nan 8.270 nan 0.000 0.440 413 E N 0.423 120.657 120.200 0.057 0.000 2.152 413 E HA -0.099 4.251 4.350 -0.000 0.000 0.192 413 E C 1.956 178.594 176.600 0.063 0.000 0.983 413 E CA 0.570 56.998 56.400 0.047 0.000 0.818 413 E CB 0.142 29.846 29.700 0.006 0.000 0.758 413 E HN 0.206 nan 8.360 nan 0.000 0.467 414 I N 0.632 121.246 120.570 0.074 0.000 2.252 414 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 414 I C 2.251 178.441 176.117 0.122 0.000 1.102 414 I CA 1.035 62.379 61.300 0.073 0.000 1.385 414 I CB -0.882 37.159 38.000 0.068 0.000 1.064 414 I HN 0.075 nan 8.210 nan 0.000 0.414 415 F N 2.063 122.029 119.950 0.026 0.000 2.095 415 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 415 F C 2.544 178.372 175.800 0.047 0.000 1.104 415 F CA 2.038 60.060 58.000 0.037 0.000 1.232 415 F CB -0.189 38.825 39.000 0.022 0.000 0.987 415 F HN 0.044 nan 8.300 nan 0.000 0.475 416 A N 0.114 123.103 122.820 0.280 0.000 1.933 416 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 416 A C 2.058 179.688 177.584 0.076 0.000 1.175 416 A CA 1.728 53.869 52.037 0.173 0.000 0.628 416 A CB -1.194 17.892 19.000 0.145 0.000 0.814 416 A HN 0.524 nan 8.150 nan 0.000 0.444 417 L N -0.272 120.995 121.223 0.072 0.000 2.027 417 L HA -0.129 4.211 4.340 -0.000 0.000 0.206 417 L C 2.380 179.386 176.870 0.226 0.000 1.074 417 L CA 2.235 57.130 54.840 0.092 0.000 0.745 417 L CB -1.068 40.972 42.059 -0.032 0.000 0.898 417 L HN 0.425 nan 8.230 nan 0.000 0.433 418 C N -0.162 119.218 119.300 0.133 0.000 2.422 418 C HA -0.122 4.338 4.460 -0.000 0.000 0.279 418 C C 2.665 177.666 174.990 0.019 0.000 1.305 418 C CA 0.942 60.032 59.018 0.120 0.000 1.757 418 C CB -1.026 26.688 27.740 -0.044 0.000 1.962 418 C HN 0.677 nan 8.230 nan 0.000 0.499 419 E N 0.500 120.636 120.200 -0.107 0.000 2.268 419 E HA -0.141 4.209 4.350 -0.000 0.000 0.195 419 E C 2.234 178.791 176.600 -0.072 0.000 0.995 419 E CA 0.769 57.078 56.400 -0.151 0.000 0.836 419 E CB -0.030 29.578 29.700 -0.153 0.000 0.763 419 E HN 0.565 nan 8.360 nan 0.000 0.491 420 R N -0.951 119.537 120.500 -0.019 0.000 2.240 420 R HA 0.034 4.374 4.340 -0.000 0.000 0.203 420 R C -0.105 175.890 176.300 -0.508 0.000 1.011 420 R CA 0.379 56.351 56.100 -0.213 0.000 1.007 420 R CB 0.332 30.524 30.300 -0.179 0.000 0.911 420 R HN 0.089 nan 8.270 nan 0.000 0.468 421 F N 1.297 121.260 119.950 0.021 0.000 2.584 421 F HA 0.299 4.826 4.527 -0.000 0.000 0.328 421 F C -2.206 173.550 175.800 -0.074 0.000 1.407 421 F CA -2.553 55.452 58.000 0.009 0.000 1.145 421 F CB 1.170 40.237 39.000 0.112 0.000 1.440 421 F HN -0.194 nan 8.300 nan 0.000 0.580 422 P HA 0.208 nan 4.420 nan 0.000 0.271 422 P C -0.216 177.046 177.300 -0.063 0.000 1.218 422 P CA 0.045 63.123 63.100 -0.036 0.000 0.780 422 P CB 1.683 33.356 31.700 -0.046 0.000 0.901 423 I N -0.665 119.853 120.570 -0.087 0.000 2.648 423 I HA 0.505 4.675 4.170 -0.000 0.000 0.304 423 I C -0.382 175.684 176.117 -0.085 0.000 1.009 423 I CA -1.110 60.070 61.300 -0.200 0.000 1.114 423 I CB 0.714 38.548 38.000 -0.277 0.000 1.293 423 I HN 0.280 nan 8.210 nan 0.000 0.449 424 Y N 0.000 120.287 120.300 -0.022 0.000 2.660 424 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 424 Y CA 0.000 58.089 58.100 -0.018 0.000 1.940 424 Y CB 0.000 38.450 38.460 -0.017 0.000 1.050 424 Y HN 0.000 nan 8.280 nan 0.000 0.758