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 1wxw_1_B DATA FIRST_RESID 2 DATA SEQUENCE RIQVNAKGAA RLLSRHLWVF RRDVVSGPET PGLYPVYWGR RFLALALYNP DATA SEQUENCE HTDLAVRAYR FAPAEDPVAA LLENLAQALA RREAVLRQDP EGGYRLVHAE DATA SEQUENCE GDLLPGLVVD YYAGHAVVQA TAHAWEGLLP QVAEALRPHV QSVLAKNDAR DATA SEQUENCE TRELEGLPLY VRPLLGEVPE RVQVQEGRVR YLVDLRAGQK TGAYLDQREN DATA SEQUENCE RLYXERFRGE RALDVFSYAG GFALHLALGF REVVAVDSSA EALRRAEENA DATA SEQUENCE RLNGLGNVRV LEANAFDLLR RLEKEGERFD LVVLDPPAFA KGKKDVERAY DATA SEQUENCE RAYKEVNLRA IKLLKEGGIL ATASCSHHXT EPLFYAXVAE AAQDAHRLLR DATA SEQUENCE VVEKRGQPFD HPVLLNHPET HYLKFAVFQV L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.230 176.300 -0.117 0.000 0.893 2 R CA 0.000 56.122 56.100 0.036 0.000 0.921 2 R CB 0.000 30.330 30.300 0.050 0.000 0.687 3 I N 2.146 122.679 120.570 -0.062 0.000 2.466 3 I HA 0.296 4.466 4.170 -0.000 0.000 0.289 3 I C -0.651 175.454 176.117 -0.020 0.000 1.026 3 I CA -0.924 60.266 61.300 -0.184 0.000 1.078 3 I CB 1.985 39.806 38.000 -0.298 0.000 1.249 3 I HN 0.189 nan 8.210 nan 0.000 0.429 4 Q N 6.076 125.865 119.800 -0.018 0.000 2.316 4 Q HA 0.602 4.942 4.340 -0.000 0.000 0.264 4 Q C -0.595 175.444 176.000 0.065 0.000 0.987 4 Q CA -0.633 55.208 55.803 0.065 0.000 0.852 4 Q CB 3.049 31.819 28.738 0.053 0.000 1.287 4 Q HN 0.593 nan 8.270 nan 0.000 0.448 5 V N -0.279 119.701 119.914 0.110 0.000 2.960 5 V HA 0.636 4.755 4.120 -0.000 0.000 0.315 5 V C -0.068 176.097 176.094 0.118 0.000 1.087 5 V CA -1.207 61.134 62.300 0.069 0.000 0.982 5 V CB 1.794 33.615 31.823 -0.003 0.000 1.039 5 V HN 0.814 nan 8.190 nan 0.000 0.437 6 N N 2.357 121.089 118.700 0.054 0.000 2.322 6 N HA 0.427 5.167 4.740 -0.000 0.000 0.270 6 N C 1.155 176.565 175.510 -0.167 0.000 1.286 6 N CA 0.141 53.241 53.050 0.083 0.000 0.948 6 N CB 0.257 38.781 38.487 0.062 0.000 1.164 6 N HN 1.007 nan 8.380 nan 0.000 0.551 7 A N -0.529 122.258 122.820 -0.054 0.000 1.940 7 A HA -0.184 4.136 4.320 -0.000 0.000 0.219 7 A C 1.928 179.251 177.584 -0.436 0.000 1.176 7 A CA 1.244 53.050 52.037 -0.386 0.000 0.631 7 A CB -0.601 18.454 19.000 0.093 0.000 0.814 7 A HN 0.604 nan 8.150 nan 0.000 0.446 8 K N -0.678 119.600 120.400 -0.203 0.000 2.026 8 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 8 K C 2.193 178.689 176.600 -0.174 0.000 1.048 8 K CA 1.351 57.549 56.287 -0.149 0.000 0.929 8 K CB -1.011 31.450 32.500 -0.064 0.000 0.713 8 K HN 0.466 nan 8.250 nan 0.000 0.439 9 G N 1.298 109.998 108.800 -0.167 0.000 2.421 9 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 9 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 9 G C 1.737 176.511 174.900 -0.210 0.000 1.171 9 G CA 1.292 46.315 45.100 -0.128 0.000 0.775 9 G HN 0.375 nan 8.290 nan 0.000 0.543 10 A N 1.270 123.824 122.820 -0.442 0.000 1.908 10 A HA 0.180 4.500 4.320 -0.000 0.000 0.218 10 A C 2.846 180.206 177.584 -0.372 0.000 1.181 10 A CA 2.490 54.199 52.037 -0.548 0.000 0.627 10 A CB -0.911 17.243 19.000 -1.410 0.000 0.818 10 A HN 0.848 nan 8.150 nan 0.000 0.445 11 A N -0.108 122.479 122.820 -0.388 0.000 1.865 11 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 11 A C 2.237 179.753 177.584 -0.113 0.000 1.191 11 A CA 1.717 53.622 52.037 -0.220 0.000 0.623 11 A CB -0.549 18.341 19.000 -0.183 0.000 0.826 11 A HN 0.577 nan 8.150 nan 0.000 0.444 12 R N -0.538 119.909 120.500 -0.089 0.000 2.096 12 R HA -0.108 4.232 4.340 -0.000 0.000 0.240 12 R C 2.077 178.413 176.300 0.060 0.000 1.139 12 R CA 1.683 57.773 56.100 -0.017 0.000 0.952 12 R CB -0.625 29.664 30.300 -0.018 0.000 0.854 12 R HN 0.513 nan 8.270 nan 0.000 0.436 13 L N 0.607 121.874 121.223 0.074 0.000 2.141 13 L HA -0.147 4.192 4.340 -0.000 0.000 0.209 13 L C 2.367 179.313 176.870 0.126 0.000 1.094 13 L CA 0.866 55.844 54.840 0.230 0.000 0.763 13 L CB -0.337 41.838 42.059 0.194 0.000 0.908 13 L HN 0.230 nan 8.230 nan 0.000 0.437 14 L N -0.387 120.840 121.223 0.007 0.000 2.056 14 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 14 L C 2.655 179.471 176.870 -0.091 0.000 1.078 14 L CA 1.581 56.401 54.840 -0.034 0.000 0.749 14 L CB -0.468 41.569 42.059 -0.036 0.000 0.901 14 L HN 0.380 nan 8.230 nan 0.000 0.433 15 S N -0.923 114.736 115.700 -0.067 0.000 2.603 15 S HA -0.068 4.402 4.470 -0.000 0.000 0.229 15 S C 0.897 175.429 174.600 -0.113 0.000 0.972 15 S CA -0.180 57.979 58.200 -0.069 0.000 0.935 15 S CB -0.037 63.147 63.200 -0.027 0.000 0.769 15 S HN 0.381 nan 8.310 nan 0.000 0.536 16 R N 0.444 120.817 120.500 -0.211 0.000 3.774 16 R HA -0.143 4.197 4.340 -0.000 0.000 0.320 16 R C -0.240 176.015 176.300 -0.074 0.000 1.175 16 R CA 0.932 56.787 56.100 -0.409 0.000 0.849 16 R CB -3.138 26.878 30.300 -0.474 0.000 1.365 16 R HN 0.814 nan 8.270 nan 0.000 0.502 17 H N 1.109 120.183 119.070 0.007 0.000 2.562 17 H HA 0.205 4.761 4.556 -0.000 0.000 0.352 17 H C 1.361 176.848 175.328 0.265 0.000 1.125 17 H CA 0.164 56.251 56.048 0.065 0.000 1.379 17 H CB 0.754 30.489 29.762 -0.045 0.000 1.464 17 H HN 0.097 nan 8.280 nan 0.000 0.563 18 L N 2.289 123.732 121.223 0.366 0.000 2.558 18 L HA 0.064 4.404 4.340 -0.000 0.000 0.225 18 L C 0.065 177.255 176.870 0.534 0.000 1.128 18 L CA -0.084 54.980 54.840 0.374 0.000 0.868 18 L CB 0.050 42.158 42.059 0.082 0.000 1.006 18 L HN 0.308 nan 8.230 nan 0.000 0.454 19 W N 0.712 122.350 121.300 0.564 0.000 2.478 19 W HA 0.550 5.210 4.660 -0.000 0.000 0.318 19 W C -0.645 175.854 176.519 -0.034 0.000 1.062 19 W CA -1.238 56.209 57.345 0.171 0.000 1.210 19 W CB 1.234 30.769 29.460 0.125 0.000 1.325 19 W HN -0.456 nan 8.180 nan 0.000 0.496 20 V N 4.959 124.899 119.914 0.042 0.000 2.483 20 V HA 0.362 4.482 4.120 -0.000 0.000 0.297 20 V C -0.276 175.724 176.094 -0.156 0.000 1.027 20 V CA -0.960 61.344 62.300 0.007 0.000 0.855 20 V CB 0.760 32.604 31.823 0.036 0.000 0.995 20 V HN 0.245 nan 8.190 nan 0.000 0.424 21 F N 2.643 122.607 119.950 0.023 0.000 2.370 21 F HA 0.470 4.997 4.527 -0.000 0.000 0.319 21 F C 1.809 177.606 175.800 -0.006 0.000 1.129 21 F CA -0.331 57.660 58.000 -0.014 0.000 1.109 21 F CB 0.564 39.545 39.000 -0.031 0.000 1.262 21 F HN 0.387 nan 8.300 nan 0.000 0.534 22 R N 0.657 121.257 120.500 0.167 0.000 2.133 22 R HA -0.273 4.067 4.340 -0.000 0.000 0.245 22 R C 2.305 178.656 176.300 0.085 0.000 1.137 22 R CA 2.603 58.758 56.100 0.091 0.000 0.947 22 R CB -0.392 29.947 30.300 0.065 0.000 0.865 22 R HN 0.664 nan 8.270 nan 0.000 0.437 23 R N -0.099 120.457 120.500 0.093 0.000 2.226 23 R HA -0.143 4.197 4.340 -0.000 0.000 0.246 23 R C 0.455 176.789 176.300 0.056 0.000 1.161 23 R CA 1.929 58.065 56.100 0.060 0.000 0.997 23 R CB -0.218 30.107 30.300 0.042 0.000 0.870 23 R HN 0.234 nan 8.270 nan 0.000 0.465 24 D N 0.570 121.013 120.400 0.072 0.000 2.363 24 D HA 0.134 4.774 4.640 -0.000 0.000 0.214 24 D C -0.407 175.920 176.300 0.045 0.000 1.093 24 D CA 0.066 54.095 54.000 0.048 0.000 0.837 24 D CB 0.817 41.641 40.800 0.040 0.000 0.948 24 D HN -0.014 nan 8.370 nan 0.000 0.507 25 V N 1.654 121.602 119.914 0.057 0.000 2.383 25 V HA 0.085 4.205 4.120 -0.000 0.000 0.275 25 V C 1.590 177.712 176.094 0.047 0.000 1.036 25 V CA -0.355 61.978 62.300 0.056 0.000 0.889 25 V CB 1.951 33.825 31.823 0.086 0.000 0.985 25 V HN -0.142 nan 8.190 nan 0.000 0.459 26 V N 3.107 123.047 119.914 0.044 0.000 2.446 26 V HA 0.077 4.197 4.120 -0.000 0.000 0.244 26 V C 0.897 177.003 176.094 0.019 0.000 1.039 26 V CA 1.432 63.755 62.300 0.039 0.000 1.045 26 V CB 0.153 32.009 31.823 0.055 0.000 0.681 26 V HN 0.965 nan 8.190 nan 0.000 0.459 27 S N -1.459 114.242 115.700 0.001 0.000 2.567 27 S HA 0.756 5.226 4.470 -0.000 0.000 0.270 27 S C -0.690 173.855 174.600 -0.093 0.000 1.152 27 S CA 0.068 58.252 58.200 -0.028 0.000 0.835 27 S CB 1.779 64.962 63.200 -0.030 0.000 1.115 27 S HN 1.004 nan 8.310 nan 0.000 0.459 28 G N 0.736 109.459 108.800 -0.128 0.000 2.451 28 G HA2 0.622 4.582 3.960 -0.000 0.000 0.292 28 G HA3 0.622 4.582 3.960 -0.000 0.000 0.292 28 G C -3.486 171.258 174.900 -0.261 0.000 1.427 28 G CA -0.767 44.138 45.100 -0.326 0.000 0.792 28 G HN 0.734 nan 8.290 nan 0.000 0.498 29 P HA 0.163 nan 4.420 nan 0.000 0.270 29 P C 0.397 177.669 177.300 -0.048 0.000 1.216 29 P CA 0.126 63.044 63.100 -0.302 0.000 0.788 29 P CB 0.892 32.142 31.700 -0.750 0.000 0.883 30 E N -0.909 119.272 120.200 -0.032 0.000 2.452 30 E HA 0.020 4.370 4.350 -0.000 0.000 0.197 30 E C -0.133 176.480 176.600 0.020 0.000 1.022 30 E CA 0.184 56.580 56.400 -0.007 0.000 0.890 30 E CB 0.252 29.959 29.700 0.011 0.000 0.918 30 E HN 0.585 nan 8.360 nan 0.000 0.496 31 T N -1.066 113.521 114.554 0.056 0.000 2.887 31 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 31 T C -2.761 172.025 174.700 0.144 0.000 1.021 31 T CA -2.421 59.733 62.100 0.090 0.000 1.000 31 T CB 1.789 70.729 68.868 0.121 0.000 1.034 31 T HN -0.241 nan 8.240 nan 0.000 0.467 32 P HA 0.571 nan 4.420 nan 0.000 0.270 32 P C 0.487 177.968 177.300 0.302 0.000 1.223 32 P CA 0.487 63.634 63.100 0.078 0.000 0.785 32 P CB 0.471 32.038 31.700 -0.221 0.000 0.923 33 G N -0.190 108.840 108.800 0.383 0.000 2.351 33 G HA2 0.284 4.244 3.960 -0.000 0.000 0.279 33 G HA3 0.284 4.244 3.960 -0.000 0.000 0.279 33 G C -2.089 172.815 174.900 0.007 0.000 1.297 33 G CA -0.820 44.368 45.100 0.146 0.000 0.886 33 G HN 0.420 nan 8.290 nan 0.000 0.493 34 L N 0.591 121.566 121.223 -0.414 0.000 2.305 34 L HA 0.757 5.097 4.340 -0.000 0.000 0.284 34 L C -0.994 175.570 176.870 -0.510 0.000 1.013 34 L CA -0.695 53.999 54.840 -0.243 0.000 0.819 34 L CB 1.272 43.231 42.059 -0.166 0.000 1.227 34 L HN 0.592 nan 8.230 nan 0.000 0.417 35 Y N 2.153 122.485 120.300 0.052 0.000 2.615 35 Y HA 0.507 5.057 4.550 -0.000 0.000 0.341 35 Y C -2.512 173.373 175.900 -0.025 0.000 1.089 35 Y CA -2.577 55.525 58.100 0.004 0.000 1.049 35 Y CB 1.696 40.112 38.460 -0.072 0.000 1.296 35 Y HN 0.385 nan 8.280 nan 0.000 0.470 36 P HA 0.259 nan 4.420 nan 0.000 0.278 36 P C -1.187 176.071 177.300 -0.071 0.000 1.238 36 P CA -0.320 62.823 63.100 0.072 0.000 0.794 36 P CB 1.011 32.898 31.700 0.311 0.000 0.955 37 V N 3.710 123.388 119.914 -0.395 0.000 2.459 37 V HA 0.405 4.525 4.120 -0.000 0.000 0.295 37 V C -0.668 175.138 176.094 -0.480 0.000 1.029 37 V CA -0.314 61.793 62.300 -0.321 0.000 0.874 37 V CB 0.608 32.242 31.823 -0.314 0.000 0.985 37 V HN 0.450 nan 8.190 nan 0.000 0.438 38 Y N 2.139 122.379 120.300 -0.101 0.000 2.536 38 Y HA 0.529 5.079 4.550 -0.000 0.000 0.347 38 Y C -0.803 175.174 175.900 0.128 0.000 1.000 38 Y CA -0.649 57.450 58.100 -0.002 0.000 1.051 38 Y CB 2.249 40.732 38.460 0.038 0.000 1.259 38 Y HN 0.714 nan 8.280 nan 0.000 0.468 39 W N 3.874 125.255 121.300 0.135 0.000 2.363 39 W HA 0.544 5.204 4.660 -0.000 0.000 0.314 39 W C 0.317 176.895 176.519 0.099 0.000 0.994 39 W CA -0.491 56.900 57.345 0.078 0.000 1.449 39 W CB 0.412 29.899 29.460 0.046 0.000 1.248 39 W HN 0.859 nan 8.180 nan 0.000 0.409 40 G N 4.778 113.644 108.800 0.111 0.000 2.565 40 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.295 40 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.295 40 G C 1.014 175.913 174.900 -0.002 0.000 1.165 40 G CA 0.686 45.748 45.100 -0.063 0.000 0.977 40 G HN 0.457 nan 8.290 nan 0.000 0.546 41 R N 0.755 121.237 120.500 -0.029 0.000 2.290 41 R HA 0.229 4.569 4.340 -0.000 0.000 0.197 41 R C 1.309 177.731 176.300 0.204 0.000 0.913 41 R CA -0.075 56.022 56.100 -0.006 0.000 1.040 41 R CB -0.194 30.083 30.300 -0.038 0.000 0.992 41 R HN 0.368 nan 8.270 nan 0.000 0.500 42 R N 1.366 122.014 120.500 0.248 0.000 2.316 42 R HA 0.083 4.423 4.340 -0.000 0.000 0.314 42 R C -0.639 175.937 176.300 0.459 0.000 1.069 42 R CA -0.421 55.877 56.100 0.330 0.000 0.959 42 R CB -0.149 30.288 30.300 0.228 0.000 0.987 42 R HN -0.073 nan 8.270 nan 0.000 0.446 43 F N 4.804 124.876 119.950 0.203 0.000 2.484 43 F HA 0.063 4.590 4.527 -0.000 0.000 0.360 43 F C 0.540 176.242 175.800 -0.163 0.000 1.101 43 F CA 0.164 57.963 58.000 -0.335 0.000 1.251 43 F CB 0.621 39.470 39.000 -0.251 0.000 1.132 43 F HN 0.495 nan 8.300 nan 0.000 0.570 44 L N 4.325 124.867 121.223 -1.134 0.000 2.586 44 L HA 0.564 4.904 4.340 -0.000 0.000 0.204 44 L C 0.384 176.750 176.870 -0.840 0.000 1.053 44 L CA 0.323 54.792 54.840 -0.618 0.000 0.856 44 L CB -0.116 41.761 42.059 -0.303 0.000 1.192 44 L HN 0.735 nan 8.230 nan 0.000 0.484 45 A N -0.371 121.629 122.820 -1.366 0.000 2.540 45 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 45 A C -1.833 175.322 177.584 -0.714 0.000 1.083 45 A CA -0.547 50.925 52.037 -0.942 0.000 0.650 45 A CB 0.828 19.254 19.000 -0.956 0.000 1.292 45 A HN -0.016 nan 8.150 nan 0.000 0.435 46 L N 0.173 121.079 121.223 -0.528 0.000 2.334 46 L HA 0.819 5.159 4.340 -0.000 0.000 0.275 46 L C 0.393 176.916 176.870 -0.579 0.000 1.036 46 L CA -0.345 54.209 54.840 -0.478 0.000 0.807 46 L CB 1.660 43.322 42.059 -0.660 0.000 1.231 46 L HN 1.159 nan 8.230 nan 0.000 0.438 47 A N 2.564 125.302 122.820 -0.137 0.000 2.612 47 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 47 A C -1.512 176.255 177.584 0.305 0.000 1.075 47 A CA -0.596 51.526 52.037 0.141 0.000 0.680 47 A CB 1.294 20.304 19.000 0.016 0.000 1.279 47 A HN 0.452 nan 8.150 nan 0.000 0.411 48 L N 1.260 122.632 121.223 0.248 0.000 2.371 48 L HA 0.575 4.915 4.340 -0.000 0.000 0.272 48 L C -0.390 176.618 176.870 0.229 0.000 1.124 48 L CA 0.174 55.088 54.840 0.123 0.000 0.816 48 L CB 0.834 42.876 42.059 -0.028 0.000 1.129 48 L HN 0.707 nan 8.230 nan 0.000 0.448 49 Y N 3.230 123.593 120.300 0.106 0.000 2.524 49 Y HA 0.574 5.124 4.550 -0.000 0.000 0.347 49 Y C -0.993 174.935 175.900 0.046 0.000 1.005 49 Y CA -0.987 57.158 58.100 0.074 0.000 1.025 49 Y CB 1.681 40.206 38.460 0.108 0.000 1.275 49 Y HN 0.602 nan 8.280 nan 0.000 0.460 50 N N 6.224 124.502 118.700 -0.703 0.000 2.480 50 N HA 0.383 5.123 4.740 -0.000 0.000 0.289 50 N C -2.709 172.203 175.510 -0.998 0.000 1.073 50 N CA -2.352 50.323 53.050 -0.624 0.000 0.885 50 N CB 2.780 41.126 38.487 -0.236 0.000 1.421 50 N HN 0.369 nan 8.380 nan 0.000 0.503 51 P HA 0.036 nan 4.420 nan 0.000 0.223 51 P C -0.235 176.615 177.300 -0.750 0.000 1.151 51 P CA 1.233 63.807 63.100 -0.878 0.000 0.787 51 P CB 0.185 31.408 31.700 -0.794 0.000 0.788 52 H N -2.186 116.752 119.070 -0.220 0.000 2.505 52 H HA 0.238 4.793 4.556 -0.000 0.000 0.286 52 H C 0.326 175.595 175.328 -0.100 0.000 1.072 52 H CA 0.000 55.974 56.048 -0.124 0.000 1.141 52 H CB -0.355 29.351 29.762 -0.092 0.000 1.550 52 H HN 0.054 nan 8.280 nan 0.000 0.547 53 T N -3.355 111.151 114.554 -0.080 0.000 2.908 53 T HA 0.132 4.482 4.350 -0.000 0.000 0.290 53 T C 0.705 175.377 174.700 -0.046 0.000 1.034 53 T CA -0.881 61.188 62.100 -0.051 0.000 1.010 53 T CB 2.531 71.356 68.868 -0.073 0.000 1.068 53 T HN -0.012 nan 8.240 nan 0.000 0.481 54 D N 0.288 120.695 120.400 0.011 0.000 2.104 54 D HA -0.121 4.519 4.640 -0.000 0.000 0.194 54 D C 0.834 177.210 176.300 0.127 0.000 0.994 54 D CA 0.846 54.904 54.000 0.097 0.000 0.830 54 D CB -0.149 40.727 40.800 0.127 0.000 0.959 54 D HN 0.436 nan 8.370 nan 0.000 0.452 55 L N 0.675 121.871 121.223 -0.044 0.000 2.356 55 L HA 0.474 4.813 4.340 -0.000 0.000 0.282 55 L C 0.835 177.503 176.870 -0.336 0.000 1.132 55 L CA -0.113 54.456 54.840 -0.452 0.000 0.923 55 L CB 0.157 41.840 42.059 -0.627 0.000 1.278 55 L HN 0.049 nan 8.230 nan 0.000 0.436 56 A N 3.932 126.598 122.820 -0.255 0.000 1.935 56 A HA 0.228 4.548 4.320 -0.000 0.000 0.214 56 A C 0.674 178.224 177.584 -0.055 0.000 1.178 56 A CA 0.632 52.559 52.037 -0.183 0.000 0.640 56 A CB 0.100 19.046 19.000 -0.090 0.000 0.825 56 A HN 0.407 nan 8.150 nan 0.000 0.447 57 V N 0.891 120.779 119.914 -0.043 0.000 2.384 57 V HA 0.407 4.527 4.120 -0.000 0.000 0.287 57 V C -0.413 175.725 176.094 0.074 0.000 1.020 57 V CA -0.531 61.810 62.300 0.068 0.000 0.850 57 V CB 1.157 33.024 31.823 0.074 0.000 0.987 57 V HN 0.415 nan 8.190 nan 0.000 0.436 58 R N 3.569 124.154 120.500 0.141 0.000 2.363 58 R HA 0.650 4.990 4.340 -0.000 0.000 0.297 58 R C -0.056 176.371 176.300 0.212 0.000 1.208 58 R CA -0.313 55.944 56.100 0.261 0.000 1.121 58 R CB 1.758 32.198 30.300 0.233 0.000 1.124 58 R HN 0.813 nan 8.270 nan 0.000 0.561 59 A N 1.890 124.789 122.820 0.132 0.000 2.386 59 A HA 0.193 4.513 4.320 -0.000 0.000 0.248 59 A C 0.035 177.630 177.584 0.019 0.000 1.082 59 A CA -0.040 51.943 52.037 -0.090 0.000 0.789 59 A CB -0.012 18.739 19.000 -0.416 0.000 1.025 59 A HN 0.919 nan 8.150 nan 0.000 0.490 60 Y N -1.142 119.044 120.300 -0.191 0.000 2.729 60 Y HA 0.654 5.204 4.550 -0.000 0.000 0.266 60 Y C 0.119 175.972 175.900 -0.078 0.000 1.064 60 Y CA -0.561 57.492 58.100 -0.079 0.000 1.251 60 Y CB 0.319 38.761 38.460 -0.030 0.000 1.379 60 Y HN 0.545 nan 8.280 nan 0.000 0.569 61 R N 0.367 120.527 120.500 -0.568 0.000 2.560 61 R HA 0.380 4.720 4.340 -0.000 0.000 0.267 61 R C -2.000 174.044 176.300 -0.427 0.000 1.150 61 R CA -0.470 55.421 56.100 -0.348 0.000 0.997 61 R CB 0.664 30.739 30.300 -0.376 0.000 1.250 61 R HN 0.167 nan 8.270 nan 0.000 0.433 62 F N 2.486 122.423 119.950 -0.022 0.000 2.925 62 F HA 0.573 5.100 4.527 -0.000 0.000 0.302 62 F C 0.243 176.142 175.800 0.166 0.000 1.189 62 F CA -0.163 57.855 58.000 0.030 0.000 1.346 62 F CB 1.430 40.433 39.000 0.006 0.000 0.954 62 F HN 0.455 nan 8.300 nan 0.000 0.506 63 A N -0.077 122.915 122.820 0.287 0.000 2.517 63 A HA 0.706 5.026 4.320 -0.000 0.000 0.297 63 A C -2.934 174.632 177.584 -0.030 0.000 1.050 63 A CA -1.743 50.395 52.037 0.168 0.000 0.694 63 A CB 1.093 20.134 19.000 0.068 0.000 1.277 63 A HN -0.054 nan 8.150 nan 0.000 0.400 64 P HA 0.415 nan 4.420 nan 0.000 0.266 64 P C -0.365 176.773 177.300 -0.270 0.000 1.195 64 P CA 0.345 63.004 63.100 -0.736 0.000 0.768 64 P CB 1.001 32.116 31.700 -0.975 0.000 0.838 65 A N 1.817 124.539 122.820 -0.162 0.000 2.515 65 A HA 0.321 4.641 4.320 -0.000 0.000 0.298 65 A C 0.837 178.392 177.584 -0.049 0.000 1.059 65 A CA -0.471 51.521 52.037 -0.075 0.000 0.698 65 A CB 1.191 20.174 19.000 -0.027 0.000 1.289 65 A HN 0.545 nan 8.150 nan 0.000 0.404 66 E N 0.412 120.592 120.200 -0.033 0.000 2.158 66 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 66 E C -0.480 176.118 176.600 -0.003 0.000 0.982 66 E CA 0.765 57.155 56.400 -0.017 0.000 0.823 66 E CB 0.249 29.939 29.700 -0.017 0.000 0.766 66 E HN 0.600 nan 8.360 nan 0.000 0.468 67 D N -0.161 120.240 120.400 0.001 0.000 2.438 67 D HA 0.155 4.795 4.640 -0.000 0.000 0.257 67 D C -2.087 174.225 176.300 0.020 0.000 1.148 67 D CA -2.495 51.508 54.000 0.005 0.000 0.902 67 D CB 1.519 42.322 40.800 0.005 0.000 1.062 67 D HN -0.130 nan 8.370 nan 0.000 0.518 68 P HA -0.173 nan 4.420 nan 0.000 0.216 68 P C 1.539 178.878 177.300 0.066 0.000 1.150 68 P CA 0.664 63.809 63.100 0.076 0.000 0.843 68 P CB 0.478 32.190 31.700 0.020 0.000 0.787 69 V N -0.052 119.849 119.914 -0.021 0.000 2.358 69 V HA -0.231 3.889 4.120 -0.000 0.000 0.246 69 V C 2.471 178.554 176.094 -0.019 0.000 1.047 69 V CA 2.116 64.377 62.300 -0.064 0.000 1.035 69 V CB -1.764 30.021 31.823 -0.062 0.000 0.658 69 V HN 0.107 nan 8.190 nan 0.000 0.452 70 A N 0.243 123.071 122.820 0.013 0.000 1.908 70 A HA -0.154 4.165 4.320 -0.000 0.000 0.218 70 A C 2.441 180.060 177.584 0.058 0.000 1.181 70 A CA 2.257 54.312 52.037 0.030 0.000 0.627 70 A CB -0.851 18.164 19.000 0.026 0.000 0.818 70 A HN 0.574 nan 8.150 nan 0.000 0.445 71 A N -0.667 122.209 122.820 0.093 0.000 1.902 71 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 71 A C 2.137 179.846 177.584 0.207 0.000 1.181 71 A CA 1.748 53.877 52.037 0.155 0.000 0.623 71 A CB -0.630 18.481 19.000 0.185 0.000 0.818 71 A HN 0.660 nan 8.150 nan 0.000 0.443 72 L N -0.365 120.943 121.223 0.141 0.000 2.046 72 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 72 L C 2.253 179.141 176.870 0.031 0.000 1.077 72 L CA 1.609 56.370 54.840 -0.132 0.000 0.747 72 L CB -0.384 41.312 42.059 -0.604 0.000 0.896 72 L HN 0.405 nan 8.230 nan 0.000 0.432 73 L N -0.877 120.377 121.223 0.052 0.000 2.217 73 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 73 L C 2.483 179.410 176.870 0.096 0.000 1.107 73 L CA 1.066 55.967 54.840 0.101 0.000 0.783 73 L CB -0.383 41.722 42.059 0.077 0.000 0.919 73 L HN 0.348 nan 8.230 nan 0.000 0.442 74 E N 0.696 120.950 120.200 0.089 0.000 2.047 74 E HA -0.215 4.135 4.350 -0.000 0.000 0.191 74 E C 1.858 178.514 176.600 0.094 0.000 0.987 74 E CA 1.420 57.869 56.400 0.082 0.000 0.799 74 E CB -0.025 29.721 29.700 0.077 0.000 0.752 74 E HN 0.264 nan 8.360 nan 0.000 0.449 75 N N 0.211 118.984 118.700 0.121 0.000 2.094 75 N HA -0.182 4.558 4.740 -0.000 0.000 0.191 75 N C 1.607 177.181 175.510 0.106 0.000 1.023 75 N CA 1.340 54.467 53.050 0.128 0.000 0.857 75 N CB -0.561 38.032 38.487 0.175 0.000 1.013 75 N HN 0.245 nan 8.380 nan 0.000 0.426 76 L N 0.801 122.098 121.223 0.122 0.000 2.017 76 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 76 L C 2.017 178.924 176.870 0.061 0.000 1.073 76 L CA 1.868 56.764 54.840 0.094 0.000 0.745 76 L CB -1.275 40.859 42.059 0.125 0.000 0.894 76 L HN 0.163 nan 8.230 nan 0.000 0.432 77 A N -0.826 122.036 122.820 0.069 0.000 1.892 77 A HA -0.310 4.010 4.320 -0.000 0.000 0.218 77 A C 2.168 179.778 177.584 0.044 0.000 1.188 77 A CA 2.154 54.227 52.037 0.060 0.000 0.631 77 A CB -0.745 18.291 19.000 0.060 0.000 0.822 77 A HN 0.705 nan 8.150 nan 0.000 0.447 78 Q N -0.755 119.072 119.800 0.045 0.000 2.170 78 Q HA -0.055 4.284 4.340 -0.000 0.000 0.203 78 Q C 2.359 178.371 176.000 0.019 0.000 0.976 78 Q CA 1.216 57.040 55.803 0.034 0.000 0.858 78 Q CB -0.392 28.372 28.738 0.045 0.000 0.907 78 Q HN 0.706 nan 8.270 nan 0.000 0.433 79 A N 0.972 123.803 122.820 0.018 0.000 1.898 79 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 79 A C 2.061 179.621 177.584 -0.040 0.000 1.181 79 A CA 0.990 53.022 52.037 -0.008 0.000 0.620 79 A CB -0.575 18.420 19.000 -0.009 0.000 0.819 79 A HN 0.272 nan 8.150 nan 0.000 0.442 80 L N -0.763 120.439 121.223 -0.035 0.000 2.093 80 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 80 L C 3.080 179.883 176.870 -0.111 0.000 1.085 80 L CA 0.957 55.749 54.840 -0.080 0.000 0.755 80 L CB -0.617 41.431 42.059 -0.017 0.000 0.904 80 L HN 0.432 nan 8.230 nan 0.000 0.435 81 A N 0.266 123.058 122.820 -0.048 0.000 1.940 81 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 81 A C 2.353 179.907 177.584 -0.049 0.000 1.176 81 A CA 1.517 53.528 52.037 -0.043 0.000 0.631 81 A CB -0.518 18.479 19.000 -0.005 0.000 0.814 81 A HN 0.324 nan 8.150 nan 0.000 0.446 82 R N -1.385 119.100 120.500 -0.025 0.000 2.241 82 R HA -0.024 4.316 4.340 -0.000 0.000 0.224 82 R C 1.377 177.709 176.300 0.053 0.000 1.101 82 R CA 1.082 57.193 56.100 0.019 0.000 0.995 82 R CB -0.048 30.280 30.300 0.046 0.000 0.870 82 R HN 0.324 nan 8.270 nan 0.000 0.463 83 R N -0.505 119.967 120.500 -0.047 0.000 2.397 83 R HA 0.094 4.434 4.340 -0.000 0.000 0.241 83 R C 1.373 177.538 176.300 -0.226 0.000 0.914 83 R CA -0.024 56.020 56.100 -0.093 0.000 1.071 83 R CB 0.239 30.413 30.300 -0.210 0.000 1.116 83 R HN 0.031 nan 8.270 nan 0.000 0.524 84 E N 1.269 121.344 120.200 -0.208 0.000 2.049 84 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 84 E C 1.810 178.292 176.600 -0.196 0.000 1.007 84 E CA 1.804 58.069 56.400 -0.226 0.000 0.809 84 E CB -0.119 29.498 29.700 -0.137 0.000 0.749 84 E HN 0.295 nan 8.360 nan 0.000 0.450 85 A N 0.917 123.638 122.820 -0.165 0.000 1.884 85 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 85 A C 2.551 180.009 177.584 -0.209 0.000 1.197 85 A CA 3.043 54.980 52.037 -0.165 0.000 0.637 85 A CB -1.183 17.713 19.000 -0.173 0.000 0.827 85 A HN 0.273 nan 8.150 nan 0.000 0.450 86 V N -2.038 117.700 119.914 -0.293 0.000 2.515 86 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 86 V C 2.268 178.110 176.094 -0.420 0.000 1.058 86 V CA 1.932 63.988 62.300 -0.408 0.000 1.064 86 V CB -0.946 30.458 31.823 -0.698 0.000 0.675 86 V HN 0.452 nan 8.190 nan 0.000 0.461 87 L N -0.332 120.632 121.223 -0.432 0.000 2.131 87 L HA -0.092 4.248 4.340 -0.000 0.000 0.210 87 L C 3.076 179.845 176.870 -0.169 0.000 1.092 87 L CA 1.863 56.466 54.840 -0.395 0.000 0.759 87 L CB -0.498 41.291 42.059 -0.449 0.000 0.903 87 L HN 0.287 nan 8.230 nan 0.000 0.435 88 R N -0.599 119.821 120.500 -0.134 0.000 2.055 88 R HA -0.100 4.240 4.340 -0.000 0.000 0.226 88 R C 2.326 178.602 176.300 -0.040 0.000 1.135 88 R CA 1.071 57.136 56.100 -0.058 0.000 0.959 88 R CB -0.300 29.968 30.300 -0.054 0.000 0.854 88 R HN 0.385 nan 8.270 nan 0.000 0.431 89 Q N 0.174 119.937 119.800 -0.062 0.000 2.050 89 Q HA -0.148 4.192 4.340 -0.000 0.000 0.202 89 Q C 0.272 176.277 176.000 0.009 0.000 0.980 89 Q CA 1.135 56.919 55.803 -0.032 0.000 0.840 89 Q CB 0.072 28.779 28.738 -0.051 0.000 0.898 89 Q HN 0.095 nan 8.270 nan 0.000 0.424 90 D N -1.079 119.333 120.400 0.021 0.000 2.634 90 D HA 0.167 4.807 4.640 -0.000 0.000 0.318 90 D C -2.139 174.255 176.300 0.156 0.000 1.226 90 D CA -2.165 51.906 54.000 0.118 0.000 0.899 90 D CB 0.875 41.818 40.800 0.238 0.000 1.025 90 D HN -0.095 nan 8.370 nan 0.000 0.501 91 P HA -0.091 nan 4.420 nan 0.000 0.221 91 P C 0.964 178.420 177.300 0.260 0.000 1.145 91 P CA 0.805 64.014 63.100 0.182 0.000 0.795 91 P CB 0.427 32.198 31.700 0.118 0.000 0.775 92 E N -0.798 119.512 120.200 0.184 0.000 2.474 92 E HA 0.112 4.461 4.350 -0.000 0.000 0.194 92 E C 1.289 177.983 176.600 0.158 0.000 1.041 92 E CA 0.040 56.521 56.400 0.135 0.000 0.874 92 E CB 0.023 29.767 29.700 0.073 0.000 0.914 92 E HN 0.181 nan 8.360 nan 0.000 0.498 93 G N 0.159 109.106 108.800 0.245 0.000 2.588 93 G HA2 0.367 4.327 3.960 -0.000 0.000 0.278 93 G HA3 0.367 4.327 3.960 -0.000 0.000 0.278 93 G C 0.011 174.976 174.900 0.107 0.000 1.307 93 G CA -0.016 45.165 45.100 0.135 0.000 1.016 93 G HN 0.118 nan 8.290 nan 0.000 0.503 94 G N -1.147 107.527 108.800 -0.211 0.000 2.574 94 G HA2 0.594 4.554 3.960 -0.000 0.000 0.306 94 G HA3 0.594 4.554 3.960 -0.000 0.000 0.306 94 G C -1.614 173.008 174.900 -0.464 0.000 1.334 94 G CA -0.334 44.683 45.100 -0.138 0.000 0.954 94 G HN 0.404 nan 8.290 nan 0.000 0.500 95 Y N 0.231 120.501 120.300 -0.050 0.000 2.534 95 Y HA 0.522 5.072 4.550 -0.000 0.000 0.345 95 Y C 0.255 176.024 175.900 -0.218 0.000 1.031 95 Y CA -1.175 56.847 58.100 -0.130 0.000 1.022 95 Y CB 2.319 40.673 38.460 -0.176 0.000 1.292 95 Y HN 0.601 nan 8.280 nan 0.000 0.459 96 R N 2.407 122.834 120.500 -0.122 0.000 2.265 96 R HA 0.421 4.761 4.340 -0.000 0.000 0.314 96 R C -0.406 175.737 176.300 -0.262 0.000 1.053 96 R CA -0.067 55.870 56.100 -0.273 0.000 0.931 96 R CB 0.416 30.344 30.300 -0.620 0.000 1.024 96 R HN 0.956 nan 8.270 nan 0.000 0.457 97 L N 3.533 124.647 121.223 -0.182 0.000 2.354 97 L HA 0.224 4.564 4.340 -0.000 0.000 0.212 97 L C -0.147 176.632 176.870 -0.151 0.000 1.091 97 L CA 0.123 54.864 54.840 -0.165 0.000 0.828 97 L CB 0.545 42.544 42.059 -0.099 0.000 0.973 97 L HN 0.347 nan 8.230 nan 0.000 0.461 98 V N -1.018 118.812 119.914 -0.140 0.000 2.569 98 V HA 0.203 4.323 4.120 -0.000 0.000 0.301 98 V C -1.167 174.886 176.094 -0.068 0.000 1.044 98 V CA -0.571 61.665 62.300 -0.108 0.000 0.874 98 V CB 1.719 33.461 31.823 -0.136 0.000 1.002 98 V HN 0.108 nan 8.190 nan 0.000 0.424 99 H N 4.232 123.202 119.070 -0.166 0.000 2.412 99 H HA 0.720 5.276 4.556 -0.000 0.000 0.239 99 H C 0.677 175.966 175.328 -0.065 0.000 1.388 99 H CA 0.460 56.424 56.048 -0.140 0.000 1.148 99 H CB 0.251 29.908 29.762 -0.177 0.000 1.637 99 H HN 1.053 nan 8.280 nan 0.000 0.542 100 A N 0.593 123.326 122.820 -0.145 0.000 5.395 100 A HA -0.450 3.870 4.320 -0.000 0.000 0.332 100 A C 1.974 179.505 177.584 -0.089 0.000 1.754 100 A CA 1.914 53.884 52.037 -0.112 0.000 0.716 100 A CB -1.280 17.634 19.000 -0.143 0.000 1.411 100 A HN 0.592 nan 8.150 nan 0.000 0.398 101 E N -0.481 119.638 120.200 -0.135 0.000 2.114 101 E HA -0.038 4.312 4.350 -0.000 0.000 0.199 101 E C 2.140 178.630 176.600 -0.183 0.000 1.008 101 E CA 2.094 58.366 56.400 -0.213 0.000 0.810 101 E CB -0.725 28.656 29.700 -0.532 0.000 0.739 101 E HN 0.963 nan 8.360 nan 0.000 0.456 102 G N 0.464 109.174 108.800 -0.150 0.000 2.475 102 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.220 102 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.220 102 G C 0.894 175.801 174.900 0.012 0.000 1.125 102 G CA 1.131 46.219 45.100 -0.019 0.000 0.755 102 G HN 0.178 nan 8.290 nan 0.000 0.565 103 D N 0.087 120.493 120.400 0.011 0.000 2.427 103 D HA 0.215 4.855 4.640 -0.000 0.000 0.224 103 D C 1.081 177.415 176.300 0.056 0.000 1.157 103 D CA -0.323 53.695 54.000 0.029 0.000 0.828 103 D CB 0.225 41.035 40.800 0.017 0.000 0.974 103 D HN 0.188 nan 8.370 nan 0.000 0.498 104 L N 0.510 121.764 121.223 0.052 0.000 3.737 104 L HA -0.239 4.101 4.340 -0.000 0.000 0.418 104 L C -0.436 176.531 176.870 0.162 0.000 1.216 104 L CA 0.453 55.359 54.840 0.111 0.000 0.915 104 L CB -1.108 41.039 42.059 0.146 0.000 1.834 104 L HN 0.217 nan 8.230 nan 0.000 0.943 105 L N -0.251 121.056 121.223 0.141 0.000 2.551 105 L HA 0.374 4.714 4.340 -0.000 0.000 0.248 105 L C -2.176 174.853 176.870 0.264 0.000 1.509 105 L CA -1.478 53.509 54.840 0.244 0.000 0.842 105 L CB 1.045 43.217 42.059 0.188 0.000 1.087 105 L HN -0.127 nan 8.230 nan 0.000 0.512 106 P HA 0.062 nan 4.420 nan 0.000 0.264 106 P C 1.026 178.561 177.300 0.391 0.000 1.183 106 P CA 0.840 64.096 63.100 0.260 0.000 0.763 106 P CB 0.793 32.647 31.700 0.257 0.000 0.807 107 G N 1.214 110.168 108.800 0.256 0.000 2.155 107 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.257 107 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.257 107 G C -0.396 174.549 174.900 0.074 0.000 0.983 107 G CA 0.052 45.300 45.100 0.248 0.000 0.676 107 G HN 0.586 nan 8.290 nan 0.000 0.528 108 L N 0.336 121.490 121.223 -0.114 0.000 2.406 108 L HA 0.822 5.162 4.340 -0.000 0.000 0.272 108 L C -0.589 176.113 176.870 -0.280 0.000 0.980 108 L CA -1.116 53.437 54.840 -0.479 0.000 0.831 108 L CB 2.359 43.714 42.059 -1.174 0.000 1.253 108 L HN 0.100 nan 8.230 nan 0.000 0.406 109 V N 5.094 124.868 119.914 -0.235 0.000 2.656 109 V HA 0.807 4.927 4.120 -0.000 0.000 0.307 109 V C -0.916 175.090 176.094 -0.147 0.000 1.051 109 V CA -0.498 61.714 62.300 -0.147 0.000 0.893 109 V CB 2.358 34.135 31.823 -0.077 0.000 0.999 109 V HN 0.649 nan 8.190 nan 0.000 0.426 110 V N 0.357 120.199 119.914 -0.121 0.000 2.668 110 V HA 0.741 4.861 4.120 -0.000 0.000 0.304 110 V C -1.285 174.759 176.094 -0.082 0.000 1.071 110 V CA -0.583 61.661 62.300 -0.093 0.000 0.894 110 V CB 2.017 33.779 31.823 -0.101 0.000 1.008 110 V HN 0.712 nan 8.190 nan 0.000 0.425 111 D N 2.644 123.007 120.400 -0.061 0.000 2.299 111 D HA 0.496 5.136 4.640 -0.000 0.000 0.243 111 D C -1.603 174.584 176.300 -0.188 0.000 0.982 111 D CA -0.109 53.784 54.000 -0.178 0.000 0.924 111 D CB 2.643 43.307 40.800 -0.226 0.000 1.238 111 D HN 0.809 nan 8.370 nan 0.000 0.484 112 Y N 1.552 121.568 120.300 -0.473 0.000 2.326 112 Y HA 0.352 4.902 4.550 0.000 0.000 0.331 112 Y C -1.602 174.030 175.900 -0.447 0.000 0.962 112 Y CA -0.815 57.108 58.100 -0.295 0.000 1.167 112 Y CB 0.564 38.959 38.460 -0.108 0.000 1.148 112 Y HN 0.229 nan 8.280 nan 0.000 0.463 113 Y N 5.082 125.303 120.300 -0.133 0.000 2.712 113 Y HA 0.533 5.083 4.550 -0.000 0.000 0.328 113 Y C 0.608 176.332 175.900 -0.294 0.000 0.995 113 Y CA -0.783 57.252 58.100 -0.108 0.000 1.283 113 Y CB 1.111 39.528 38.460 -0.072 0.000 1.092 113 Y HN 0.896 nan 8.280 nan 0.000 0.519 114 A N 2.036 124.787 122.820 -0.116 0.000 2.560 114 A HA 0.002 4.322 4.320 -0.000 0.000 0.299 114 A C 1.656 178.947 177.584 -0.488 0.000 1.484 114 A CA 1.502 53.455 52.037 -0.140 0.000 0.749 114 A CB -1.785 17.172 19.000 -0.073 0.000 1.072 114 A HN 1.899 nan 8.150 nan 0.000 0.426 115 G N -1.582 106.598 108.800 -1.034 0.000 2.232 115 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.226 115 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.226 115 G C -0.093 174.335 174.900 -0.785 0.000 0.996 115 G CA 0.460 45.057 45.100 -0.838 0.000 0.626 115 G HN 1.655 nan 8.290 nan 0.000 0.509 116 H N 0.987 119.811 119.070 -0.410 0.000 2.551 116 H HA 0.734 5.290 4.556 -0.000 0.000 0.321 116 H C 0.440 175.703 175.328 -0.109 0.000 1.028 116 H CA 0.008 55.946 56.048 -0.183 0.000 1.215 116 H CB 1.252 30.963 29.762 -0.085 0.000 1.414 116 H HN 0.599 nan 8.280 nan 0.000 0.480 117 A N 3.153 126.007 122.820 0.057 0.000 2.304 117 A HA 0.567 4.887 4.320 -0.000 0.000 0.301 117 A C -0.231 177.418 177.584 0.107 0.000 1.132 117 A CA -0.569 51.515 52.037 0.078 0.000 0.819 117 A CB 0.788 19.830 19.000 0.070 0.000 1.094 117 A HN 0.437 nan 8.150 nan 0.000 0.492 118 V N 2.928 122.915 119.914 0.122 0.000 2.443 118 V HA 0.351 4.471 4.120 -0.000 0.000 0.293 118 V C -0.339 175.772 176.094 0.027 0.000 1.021 118 V CA -0.504 61.852 62.300 0.094 0.000 0.848 118 V CB 1.409 33.333 31.823 0.168 0.000 0.998 118 V HN 0.659 nan 8.190 nan 0.000 0.424 119 V N 5.149 125.055 119.914 -0.013 0.000 2.481 119 V HA 0.481 4.601 4.120 -0.000 0.000 0.286 119 V C -0.141 175.900 176.094 -0.089 0.000 1.042 119 V CA -0.418 61.841 62.300 -0.068 0.000 0.928 119 V CB 1.590 33.367 31.823 -0.077 0.000 0.986 119 V HN 0.905 nan 8.190 nan 0.000 0.462 120 Q N 2.857 122.582 119.800 -0.125 0.000 2.294 120 Q HA 0.672 5.012 4.340 -0.000 0.000 0.264 120 Q C -0.761 175.144 176.000 -0.158 0.000 0.992 120 Q CA -0.386 55.342 55.803 -0.125 0.000 0.747 120 Q CB 2.339 31.023 28.738 -0.089 0.000 1.262 120 Q HN 0.891 nan 8.270 nan 0.000 0.452 121 A N 1.176 123.912 122.820 -0.141 0.000 2.324 121 A HA 0.709 5.029 4.320 -0.000 0.000 0.330 121 A C 0.419 177.982 177.584 -0.036 0.000 1.165 121 A CA -0.420 51.556 52.037 -0.102 0.000 0.813 121 A CB 0.844 19.822 19.000 -0.036 0.000 1.197 121 A HN 0.715 nan 8.150 nan 0.000 0.484 122 T N -1.972 112.601 114.554 0.031 0.000 3.475 122 T HA 0.596 4.946 4.350 -0.000 0.000 0.310 122 T C -0.167 174.577 174.700 0.074 0.000 0.963 122 T CA 0.541 62.659 62.100 0.030 0.000 0.985 122 T CB -0.319 68.555 68.868 0.010 0.000 1.198 122 T HN 1.751 nan 8.240 nan 0.000 0.508 123 A N 0.039 122.946 122.820 0.146 0.000 2.427 123 A HA 0.689 5.009 4.320 -0.000 0.000 0.298 123 A C 0.451 178.129 177.584 0.157 0.000 1.036 123 A CA -0.596 51.529 52.037 0.146 0.000 0.701 123 A CB 0.913 20.015 19.000 0.169 0.000 1.250 123 A HN 0.351 nan 8.150 nan 0.000 0.412 124 H N 2.552 121.660 119.070 0.063 0.000 2.268 124 H HA -0.292 4.264 4.556 -0.000 0.000 0.288 124 H C 2.349 177.712 175.328 0.058 0.000 1.088 124 H CA 3.986 60.071 56.048 0.063 0.000 1.182 124 H CB 0.152 29.943 29.762 0.048 0.000 1.348 124 H HN 0.891 nan 8.280 nan 0.000 0.499 125 A N -0.130 122.785 122.820 0.158 0.000 2.023 125 A HA -0.279 4.041 4.320 -0.000 0.000 0.223 125 A C 2.237 179.787 177.584 -0.058 0.000 1.180 125 A CA 2.037 54.070 52.037 -0.006 0.000 0.659 125 A CB -1.502 17.390 19.000 -0.180 0.000 0.817 125 A HN 0.761 nan 8.150 nan 0.000 0.466 126 W N -0.836 120.461 121.300 -0.006 0.000 2.465 126 W HA -0.028 4.632 4.660 -0.000 0.000 0.268 126 W C 2.219 178.724 176.519 -0.024 0.000 1.242 126 W CA 0.737 58.064 57.345 -0.030 0.000 1.248 126 W CB 0.076 29.512 29.460 -0.040 0.000 1.118 126 W HN 0.430 nan 8.180 nan 0.000 0.587 127 E N 0.040 120.355 120.200 0.192 0.000 2.058 127 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 127 E C 2.397 179.064 176.600 0.111 0.000 0.997 127 E CA 1.964 58.431 56.400 0.111 0.000 0.801 127 E CB -0.877 28.817 29.700 -0.009 0.000 0.746 127 E HN 0.145 nan 8.360 nan 0.000 0.450 128 G N -0.613 108.244 108.800 0.094 0.000 2.650 128 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.214 128 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.214 128 G C 1.164 176.117 174.900 0.088 0.000 1.136 128 G CA 0.269 45.414 45.100 0.076 0.000 0.789 128 G HN 0.255 nan 8.290 nan 0.000 0.536 129 L N 0.314 121.621 121.223 0.140 0.000 2.607 129 L HA 0.312 4.652 4.340 -0.000 0.000 0.228 129 L C 2.260 179.250 176.870 0.200 0.000 1.123 129 L CA -0.279 54.668 54.840 0.179 0.000 0.890 129 L CB 0.031 42.234 42.059 0.239 0.000 1.103 129 L HN 0.143 nan 8.230 nan 0.000 0.468 130 L N 0.527 121.845 121.223 0.159 0.000 2.012 130 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 130 L C -0.136 176.775 176.870 0.069 0.000 1.073 130 L CA 1.698 56.599 54.840 0.102 0.000 0.748 130 L CB -1.672 40.443 42.059 0.094 0.000 0.891 130 L HN 0.255 nan 8.230 nan 0.000 0.431 131 P HA -0.191 nan 4.420 nan 0.000 0.216 131 P C 1.354 178.681 177.300 0.045 0.000 1.150 131 P CA 1.259 64.385 63.100 0.044 0.000 0.837 131 P CB 0.053 31.775 31.700 0.036 0.000 0.786 132 Q N -1.226 118.611 119.800 0.062 0.000 2.297 132 Q HA -0.049 4.291 4.340 -0.000 0.000 0.204 132 Q C 2.012 178.050 176.000 0.063 0.000 0.962 132 Q CA 0.832 56.672 55.803 0.062 0.000 0.879 132 Q CB -0.872 27.913 28.738 0.077 0.000 0.947 132 Q HN 0.100 nan 8.270 nan 0.000 0.462 133 V N 0.343 120.295 119.914 0.063 0.000 2.379 133 V HA -0.203 3.917 4.120 -0.000 0.000 0.245 133 V C 2.064 178.164 176.094 0.010 0.000 1.044 133 V CA 1.715 64.027 62.300 0.021 0.000 1.036 133 V CB -0.770 31.026 31.823 -0.044 0.000 0.664 133 V HN 0.419 nan 8.190 nan 0.000 0.453 134 A N -0.856 121.974 122.820 0.017 0.000 2.015 134 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 134 A C 2.163 179.759 177.584 0.020 0.000 1.163 134 A CA 1.252 53.300 52.037 0.019 0.000 0.646 134 A CB -0.304 18.708 19.000 0.020 0.000 0.806 134 A HN 0.480 nan 8.150 nan 0.000 0.448 135 E N 0.236 120.449 120.200 0.021 0.000 2.007 135 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 135 E C 2.386 178.992 176.600 0.009 0.000 0.999 135 E CA 1.388 57.796 56.400 0.014 0.000 0.811 135 E CB -0.825 28.887 29.700 0.019 0.000 0.762 135 E HN 0.500 nan 8.360 nan 0.000 0.450 136 A N 0.774 123.610 122.820 0.026 0.000 2.084 136 A HA -0.162 4.158 4.320 -0.000 0.000 0.221 136 A C 2.341 179.958 177.584 0.055 0.000 1.161 136 A CA 1.187 53.247 52.037 0.038 0.000 0.653 136 A CB -0.570 18.464 19.000 0.057 0.000 0.802 136 A HN 0.195 nan 8.150 nan 0.000 0.457 137 L N -1.659 119.597 121.223 0.055 0.000 2.202 137 L HA -0.049 4.290 4.340 -0.000 0.000 0.205 137 L C 2.497 179.389 176.870 0.036 0.000 1.083 137 L CA 0.993 55.894 54.840 0.101 0.000 0.790 137 L CB -0.475 41.635 42.059 0.085 0.000 0.942 137 L HN 0.526 nan 8.230 nan 0.000 0.452 138 R N 1.154 121.651 120.500 -0.004 0.000 2.227 138 R HA -0.266 4.074 4.340 -0.000 0.000 0.246 138 R C -0.632 175.622 176.300 -0.076 0.000 1.119 138 R CA 2.816 58.900 56.100 -0.027 0.000 0.930 138 R CB -1.778 28.504 30.300 -0.031 0.000 0.912 138 R HN 0.191 nan 8.270 nan 0.000 0.435 139 P HA -0.132 nan 4.420 nan 0.000 0.219 139 P C 0.325 177.475 177.300 -0.251 0.000 1.146 139 P CA 1.419 64.353 63.100 -0.277 0.000 0.808 139 P CB -0.090 31.352 31.700 -0.430 0.000 0.779 140 H N -2.006 117.098 119.070 0.058 0.000 2.575 140 H HA 0.207 4.762 4.556 -0.000 0.000 0.267 140 H C 0.939 176.364 175.328 0.162 0.000 0.966 140 H CA 0.255 56.364 56.048 0.101 0.000 1.165 140 H CB -0.084 29.733 29.762 0.093 0.000 1.433 140 H HN 0.087 nan 8.280 nan 0.000 0.544 141 V N -1.489 118.523 119.914 0.162 0.000 3.074 141 V HA 0.297 4.417 4.120 -0.000 0.000 0.314 141 V C 0.674 176.790 176.094 0.037 0.000 1.117 141 V CA -0.900 61.454 62.300 0.089 0.000 1.014 141 V CB 3.059 34.933 31.823 0.086 0.000 1.057 141 V HN -0.097 nan 8.190 nan 0.000 0.438 142 Q N 1.497 121.302 119.800 0.009 0.000 2.297 142 Q HA 0.261 4.601 4.340 -0.000 0.000 0.203 142 Q C 0.689 176.777 176.000 0.147 0.000 0.931 142 Q CA 1.140 56.982 55.803 0.064 0.000 0.885 142 Q CB 0.920 29.671 28.738 0.022 0.000 0.991 142 Q HN 1.049 nan 8.270 nan 0.000 0.498 143 S N -1.113 114.708 115.700 0.202 0.000 2.588 143 S HA 0.591 5.061 4.470 -0.000 0.000 0.269 143 S C -0.984 173.671 174.600 0.093 0.000 1.157 143 S CA -0.871 57.402 58.200 0.122 0.000 0.824 143 S CB 2.081 65.306 63.200 0.042 0.000 1.126 143 S HN -0.102 nan 8.310 nan 0.000 0.464 144 V N 1.837 121.778 119.914 0.045 0.000 2.488 144 V HA 0.555 4.675 4.120 -0.000 0.000 0.293 144 V C -0.963 175.144 176.094 0.022 0.000 1.027 144 V CA -0.503 61.820 62.300 0.039 0.000 0.862 144 V CB 1.195 33.038 31.823 0.034 0.000 1.008 144 V HN 0.936 nan 8.190 nan 0.000 0.428 145 L N 4.304 125.540 121.223 0.021 0.000 2.325 145 L HA 0.898 5.237 4.340 -0.000 0.000 0.279 145 L C 0.468 177.350 176.870 0.019 0.000 1.054 145 L CA 0.005 54.852 54.840 0.013 0.000 0.804 145 L CB 1.593 43.649 42.059 -0.004 0.000 1.200 145 L HN 0.757 nan 8.230 nan 0.000 0.436 146 A N 4.754 127.597 122.820 0.039 0.000 2.540 146 A HA 0.364 4.684 4.320 -0.000 0.000 0.340 146 A C -0.194 177.378 177.584 -0.019 0.000 1.424 146 A CA -0.590 51.470 52.037 0.037 0.000 0.940 146 A CB -0.285 18.801 19.000 0.144 0.000 1.149 146 A HN 0.679 nan 8.150 nan 0.000 0.505 147 K N 2.510 122.869 120.400 -0.068 0.000 2.183 147 K HA 0.191 4.511 4.320 -0.000 0.000 0.272 147 K C -0.644 175.840 176.600 -0.194 0.000 1.113 147 K CA -0.156 56.066 56.287 -0.109 0.000 0.949 147 K CB -0.008 32.451 32.500 -0.068 0.000 1.365 147 K HN 0.530 nan 8.250 nan 0.000 0.420 148 N N 3.630 122.110 118.700 -0.366 0.000 3.040 148 N HA 0.043 4.782 4.740 -0.000 0.000 0.305 148 N C -1.115 174.161 175.510 -0.389 0.000 1.611 148 N CA -0.224 52.543 53.050 -0.471 0.000 1.049 148 N CB 1.021 38.979 38.487 -0.882 0.000 1.342 148 N HN 0.613 nan 8.380 nan 0.000 0.497 149 D N -1.648 118.625 120.400 -0.212 0.000 2.513 149 D HA 0.121 4.761 4.640 -0.000 0.000 0.222 149 D C 0.169 176.421 176.300 -0.080 0.000 1.210 149 D CA -0.394 53.527 54.000 -0.132 0.000 0.825 149 D CB -0.117 40.628 40.800 -0.091 0.000 1.037 149 D HN 0.075 nan 8.370 nan 0.000 0.506 150 A N 1.309 124.082 122.820 -0.079 0.000 2.409 150 A HA 0.244 4.564 4.320 -0.000 0.000 0.267 150 A C 1.463 179.029 177.584 -0.031 0.000 1.127 150 A CA -0.478 51.532 52.037 -0.044 0.000 0.795 150 A CB 0.695 19.671 19.000 -0.040 0.000 1.061 150 A HN -0.076 nan 8.150 nan 0.000 0.502 151 R N 1.678 122.170 120.500 -0.013 0.000 2.153 151 R HA -0.197 4.142 4.340 -0.000 0.000 0.252 151 R C 2.231 178.530 176.300 -0.002 0.000 1.158 151 R CA 2.160 58.258 56.100 -0.004 0.000 0.975 151 R CB -1.734 28.571 30.300 0.008 0.000 0.871 151 R HN 0.997 nan 8.270 nan 0.000 0.450 152 T N -1.410 113.143 114.554 -0.001 0.000 2.778 152 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 152 T C 1.891 176.590 174.700 -0.003 0.000 1.050 152 T CA 1.310 63.410 62.100 0.001 0.000 1.137 152 T CB -0.248 68.621 68.868 0.002 0.000 0.860 152 T HN 0.293 nan 8.240 nan 0.000 0.468 153 R N 1.024 121.515 120.500 -0.015 0.000 2.193 153 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 153 R C 2.612 178.911 176.300 -0.001 0.000 1.110 153 R CA 1.422 57.511 56.100 -0.018 0.000 0.988 153 R CB -0.185 30.084 30.300 -0.052 0.000 0.871 153 R HN 0.659 nan 8.270 nan 0.000 0.458 154 E N 0.365 120.565 120.200 0.001 0.000 2.152 154 E HA -0.120 4.230 4.350 -0.000 0.000 0.192 154 E C 1.860 178.471 176.600 0.018 0.000 0.983 154 E CA 0.680 57.086 56.400 0.010 0.000 0.818 154 E CB 0.047 29.752 29.700 0.007 0.000 0.758 154 E HN 0.319 nan 8.360 nan 0.000 0.467 155 L N 1.170 122.404 121.223 0.017 0.000 2.131 155 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 155 L C 2.029 178.921 176.870 0.036 0.000 1.092 155 L CA 0.847 55.699 54.840 0.020 0.000 0.759 155 L CB -0.220 41.846 42.059 0.012 0.000 0.903 155 L HN 0.039 nan 8.230 nan 0.000 0.435 156 E N 0.440 120.670 120.200 0.050 0.000 2.502 156 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 156 E C 1.184 177.887 176.600 0.172 0.000 1.062 156 E CA 0.702 57.167 56.400 0.109 0.000 0.867 156 E CB 0.065 29.827 29.700 0.103 0.000 0.888 156 E HN 0.472 nan 8.360 nan 0.000 0.510 157 G N 1.710 110.564 108.800 0.090 0.000 2.298 157 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 157 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 157 G C -0.095 174.874 174.900 0.116 0.000 1.075 157 G CA 0.305 45.456 45.100 0.085 0.000 0.960 157 G HN 0.176 nan 8.290 nan 0.000 0.502 158 L N -0.406 120.844 121.223 0.044 0.000 2.354 158 L HA 0.601 4.941 4.340 -0.000 0.000 0.264 158 L C -2.087 174.796 176.870 0.022 0.000 1.008 158 L CA -2.614 52.221 54.840 -0.008 0.000 0.819 158 L CB 2.409 44.421 42.059 -0.079 0.000 1.339 158 L HN -0.049 nan 8.230 nan 0.000 0.420 159 P HA 0.249 nan 4.420 nan 0.000 0.275 159 P C -1.156 176.201 177.300 0.095 0.000 1.228 159 P CA -0.278 62.889 63.100 0.111 0.000 0.786 159 P CB 0.559 32.367 31.700 0.180 0.000 0.927 160 L N 4.240 125.502 121.223 0.066 0.000 2.264 160 L HA 0.510 4.850 4.340 -0.000 0.000 0.289 160 L C -0.421 176.491 176.870 0.069 0.000 1.044 160 L CA -0.578 54.250 54.840 -0.020 0.000 0.807 160 L CB -0.090 41.960 42.059 -0.014 0.000 1.192 160 L HN 0.549 nan 8.230 nan 0.000 0.425 161 Y N 1.476 121.767 120.300 -0.015 0.000 2.604 161 Y HA 0.646 5.196 4.550 -0.000 0.000 0.331 161 Y C -1.604 174.285 175.900 -0.018 0.000 1.158 161 Y CA -1.348 56.743 58.100 -0.015 0.000 1.056 161 Y CB 1.179 39.630 38.460 -0.015 0.000 1.330 161 Y HN 0.063 nan 8.280 nan 0.000 0.457 162 V N 4.446 124.479 119.914 0.199 0.000 2.407 162 V HA 0.793 4.913 4.120 -0.000 0.000 0.291 162 V C -0.686 175.525 176.094 0.196 0.000 1.018 162 V CA -0.615 61.756 62.300 0.119 0.000 0.842 162 V CB 1.334 33.174 31.823 0.030 0.000 0.996 162 V HN 0.928 nan 8.190 nan 0.000 0.426 163 R N 3.895 124.523 120.500 0.213 0.000 2.604 163 R HA 0.543 4.882 4.340 -0.000 0.000 0.261 163 R C -3.432 172.919 176.300 0.084 0.000 1.080 163 R CA -1.805 54.369 56.100 0.124 0.000 0.917 163 R CB 1.716 32.068 30.300 0.087 0.000 1.252 163 R HN 0.340 nan 8.270 nan 0.000 0.456 164 P HA -0.006 nan 4.420 nan 0.000 0.266 164 P C 0.010 177.323 177.300 0.022 0.000 1.193 164 P CA -0.184 62.925 63.100 0.015 0.000 0.770 164 P CB 0.651 32.347 31.700 -0.006 0.000 0.836 165 L N 1.161 122.397 121.223 0.022 0.000 2.577 165 L HA 0.298 4.638 4.340 -0.000 0.000 0.225 165 L C 0.171 177.049 176.870 0.014 0.000 1.053 165 L CA 0.298 55.152 54.840 0.023 0.000 0.866 165 L CB 0.329 42.406 42.059 0.031 0.000 1.132 165 L HN 0.300 nan 8.230 nan 0.000 0.486 166 L N -0.805 120.426 121.223 0.012 0.000 2.545 166 L HA 0.692 5.032 4.340 -0.000 0.000 0.258 166 L C -0.181 176.694 176.870 0.009 0.000 0.942 166 L CA 0.410 55.256 54.840 0.011 0.000 0.855 166 L CB 1.423 43.492 42.059 0.016 0.000 1.374 166 L HN 0.191 nan 8.230 nan 0.000 0.411 167 G N 3.123 111.926 108.800 0.006 0.000 2.692 167 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.248 167 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.248 167 G C -0.594 174.298 174.900 -0.013 0.000 1.340 167 G CA 0.197 45.300 45.100 0.005 0.000 0.896 167 G HN 0.912 nan 8.290 nan 0.000 0.570 168 E N -0.727 119.460 120.200 -0.022 0.000 2.081 168 E HA 0.507 4.857 4.350 -0.000 0.000 0.281 168 E C 0.237 176.767 176.600 -0.117 0.000 0.986 168 E CA -0.355 56.013 56.400 -0.052 0.000 0.796 168 E CB 1.484 31.159 29.700 -0.042 0.000 1.085 168 E HN 0.560 nan 8.360 nan 0.000 0.398 169 V N 6.819 126.657 119.914 -0.126 0.000 2.427 169 V HA 0.202 4.322 4.120 -0.000 0.000 0.268 169 V C -1.805 174.153 176.094 -0.226 0.000 1.046 169 V CA -1.538 60.641 62.300 -0.202 0.000 0.970 169 V CB 0.497 32.248 31.823 -0.120 0.000 1.001 169 V HN 0.662 nan 8.190 nan 0.000 0.476 170 P HA 0.092 nan 4.420 nan 0.000 0.271 170 P C 0.734 177.933 177.300 -0.168 0.000 1.233 170 P CA -0.295 62.654 63.100 -0.251 0.000 0.789 170 P CB 0.563 32.070 31.700 -0.323 0.000 0.951 171 E N 0.008 120.140 120.200 -0.113 0.000 2.400 171 E HA 0.075 4.425 4.350 -0.000 0.000 0.195 171 E C 0.389 176.935 176.600 -0.090 0.000 1.012 171 E CA 0.119 56.465 56.400 -0.090 0.000 0.875 171 E CB 0.332 29.994 29.700 -0.063 0.000 0.859 171 E HN 0.140 nan 8.360 nan 0.000 0.498 172 R N 0.022 120.468 120.500 -0.090 0.000 2.707 172 R HA 0.548 4.888 4.340 -0.000 0.000 0.272 172 R C -2.216 174.042 176.300 -0.070 0.000 1.011 172 R CA -0.724 55.327 56.100 -0.082 0.000 0.893 172 R CB 2.715 32.981 30.300 -0.057 0.000 1.233 172 R HN 0.049 nan 8.270 nan 0.000 0.464 173 V N 2.647 122.515 119.914 -0.076 0.000 2.888 173 V HA 0.460 4.580 4.120 -0.000 0.000 0.309 173 V C -1.405 174.630 176.094 -0.098 0.000 1.114 173 V CA -0.527 61.752 62.300 -0.036 0.000 0.940 173 V CB 2.347 34.200 31.823 0.050 0.000 1.021 173 V HN 0.762 nan 8.190 nan 0.000 0.426 174 Q N 3.678 123.428 119.800 -0.085 0.000 2.296 174 Q HA 0.582 4.922 4.340 -0.000 0.000 0.257 174 Q C -1.097 174.792 176.000 -0.184 0.000 0.942 174 Q CA -0.396 55.325 55.803 -0.137 0.000 0.939 174 Q CB 2.043 30.737 28.738 -0.074 0.000 1.198 174 Q HN 0.629 nan 8.270 nan 0.000 0.429 175 V N 3.089 122.776 119.914 -0.378 0.000 2.435 175 V HA 0.177 4.297 4.120 -0.000 0.000 0.290 175 V C -0.311 175.646 176.094 -0.229 0.000 1.030 175 V CA -0.703 61.379 62.300 -0.363 0.000 0.881 175 V CB 1.832 33.289 31.823 -0.610 0.000 0.983 175 V HN 0.666 nan 8.190 nan 0.000 0.445 176 Q N 3.281 123.057 119.800 -0.040 0.000 2.256 176 Q HA 0.393 4.733 4.340 -0.000 0.000 0.254 176 Q C -0.498 175.575 176.000 0.121 0.000 0.916 176 Q CA 0.152 55.985 55.803 0.051 0.000 0.932 176 Q CB 1.135 29.903 28.738 0.051 0.000 1.207 176 Q HN 0.777 nan 8.270 nan 0.000 0.426 177 E N 3.332 123.644 120.200 0.186 0.000 2.518 177 E HA 0.469 4.819 4.350 -0.000 0.000 0.240 177 E C 0.038 176.758 176.600 0.199 0.000 0.996 177 E CA 0.163 56.685 56.400 0.205 0.000 0.768 177 E CB -0.014 29.877 29.700 0.318 0.000 1.329 177 E HN 0.883 nan 8.360 nan 0.000 0.408 178 G N 4.162 113.045 108.800 0.137 0.000 2.565 178 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.295 178 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.295 178 G C 0.545 175.506 174.900 0.102 0.000 1.165 178 G CA 0.367 45.543 45.100 0.126 0.000 0.977 178 G HN 0.591 nan 8.290 nan 0.000 0.546 179 R N -0.258 120.301 120.500 0.099 0.000 2.426 179 R HA 0.527 4.867 4.340 -0.000 0.000 0.263 179 R C -0.088 176.220 176.300 0.013 0.000 0.961 179 R CA 0.153 56.284 56.100 0.052 0.000 1.086 179 R CB 0.534 30.863 30.300 0.048 0.000 1.186 179 R HN 0.302 nan 8.270 nan 0.000 0.537 180 V N 0.720 120.635 119.914 0.002 0.000 3.130 180 V HA 0.475 4.595 4.120 -0.000 0.000 0.310 180 V C -0.651 175.473 176.094 0.051 0.000 1.158 180 V CA -1.196 61.075 62.300 -0.048 0.000 1.029 180 V CB 2.625 34.280 31.823 -0.281 0.000 1.057 180 V HN 0.249 nan 8.190 nan 0.000 0.436 181 R N 1.700 122.241 120.500 0.068 0.000 2.795 181 R HA 0.848 5.188 4.340 -0.000 0.000 0.275 181 R C -1.778 174.635 176.300 0.190 0.000 0.981 181 R CA -0.737 55.428 56.100 0.108 0.000 0.917 181 R CB 2.051 32.365 30.300 0.024 0.000 1.202 181 R HN 0.747 nan 8.270 nan 0.000 0.469 182 Y N -0.761 119.541 120.300 0.002 0.000 2.615 182 Y HA 0.591 5.141 4.550 0.000 0.000 0.341 182 Y C -1.548 174.359 175.900 0.012 0.000 1.089 182 Y CA -1.687 56.417 58.100 0.008 0.000 1.049 182 Y CB 1.319 39.790 38.460 0.018 0.000 1.296 182 Y HN 0.433 nan 8.280 nan 0.000 0.470 183 L N 2.801 124.061 121.223 0.062 0.000 2.275 183 L HA 0.662 5.002 4.340 -0.000 0.000 0.288 183 L C -0.849 176.006 176.870 -0.025 0.000 1.046 183 L CA -1.169 53.649 54.840 -0.037 0.000 0.805 183 L CB 1.554 43.615 42.059 0.004 0.000 1.193 183 L HN 0.530 nan 8.230 nan 0.000 0.426 184 V N 2.206 122.034 119.914 -0.142 0.000 2.384 184 V HA 0.204 4.324 4.120 -0.000 0.000 0.287 184 V C -0.211 175.767 176.094 -0.193 0.000 1.020 184 V CA -0.611 61.572 62.300 -0.196 0.000 0.850 184 V CB 1.745 33.323 31.823 -0.409 0.000 0.987 184 V HN 0.636 nan 8.190 nan 0.000 0.436 185 D N 4.542 124.848 120.400 -0.157 0.000 2.347 185 D HA 0.276 4.916 4.640 -0.000 0.000 0.235 185 D C 0.642 176.845 176.300 -0.161 0.000 1.149 185 D CA -0.120 53.804 54.000 -0.126 0.000 0.850 185 D CB 1.532 42.289 40.800 -0.071 0.000 1.061 185 D HN 0.474 nan 8.370 nan 0.000 0.487 186 L N 3.143 124.274 121.223 -0.153 0.000 2.567 186 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 186 L C 1.232 178.046 176.870 -0.094 0.000 1.119 186 L CA -0.135 54.620 54.840 -0.142 0.000 0.871 186 L CB 0.032 42.005 42.059 -0.144 0.000 1.036 186 L HN 0.074 nan 8.230 nan 0.000 0.459 187 R N 1.709 122.162 120.500 -0.078 0.000 2.538 187 R HA 0.194 4.534 4.340 -0.000 0.000 0.282 187 R C 0.614 176.888 176.300 -0.043 0.000 1.009 187 R CA -0.125 55.943 56.100 -0.054 0.000 1.063 187 R CB 0.364 30.639 30.300 -0.043 0.000 0.945 187 R HN 0.120 nan 8.270 nan 0.000 0.414 188 A N 2.460 125.261 122.820 -0.032 0.000 2.580 188 A HA 0.249 4.568 4.320 -0.000 0.000 0.244 188 A C 1.408 178.981 177.584 -0.019 0.000 1.045 188 A CA 0.840 52.864 52.037 -0.022 0.000 0.761 188 A CB -0.428 18.567 19.000 -0.008 0.000 0.962 188 A HN 1.001 nan 8.150 nan 0.000 0.512 189 G N 1.243 110.031 108.800 -0.020 0.000 2.148 189 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.254 189 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.254 189 G C 0.010 174.903 174.900 -0.012 0.000 0.981 189 G CA 0.491 45.584 45.100 -0.013 0.000 0.670 189 G HN 0.917 nan 8.290 nan 0.000 0.528 190 Q N -0.157 119.629 119.800 -0.023 0.000 2.345 190 Q HA 0.445 4.784 4.340 -0.000 0.000 0.268 190 Q C 0.096 176.077 176.000 -0.031 0.000 1.054 190 Q CA -0.624 55.167 55.803 -0.021 0.000 0.835 190 Q CB 1.488 30.208 28.738 -0.029 0.000 1.339 190 Q HN 0.393 nan 8.270 nan 0.000 0.447 191 K N 1.339 121.731 120.400 -0.013 0.000 2.349 191 K HA 0.192 4.512 4.320 -0.000 0.000 0.288 191 K C -0.330 176.226 176.600 -0.073 0.000 1.058 191 K CA -0.031 56.242 56.287 -0.024 0.000 0.953 191 K CB 0.407 32.932 32.500 0.041 0.000 0.997 191 K HN 0.429 nan 8.250 nan 0.000 0.477 192 T N 2.351 116.817 114.554 -0.146 0.000 2.758 192 T HA -0.026 4.324 4.350 -0.000 0.000 0.281 192 T C 1.484 176.054 174.700 -0.216 0.000 0.963 192 T CA 0.028 61.996 62.100 -0.221 0.000 1.201 192 T CB 0.543 69.254 68.868 -0.261 0.000 0.906 192 T HN 0.774 nan 8.240 nan 0.000 0.528 193 G N 2.375 111.122 108.800 -0.088 0.000 2.740 193 G HA2 0.281 4.241 3.960 -0.000 0.000 0.208 193 G HA3 0.281 4.241 3.960 -0.000 0.000 0.208 193 G C 0.477 175.451 174.900 0.124 0.000 1.148 193 G CA 0.109 45.250 45.100 0.068 0.000 0.795 193 G HN 0.906 nan 8.290 nan 0.000 0.526 194 A N -0.201 122.599 122.820 -0.033 0.000 2.337 194 A HA 0.742 5.062 4.320 -0.000 0.000 0.329 194 A C -1.395 176.056 177.584 -0.222 0.000 1.146 194 A CA -0.751 51.355 52.037 0.114 0.000 0.800 194 A CB 1.008 20.277 19.000 0.447 0.000 1.220 194 A HN 0.208 nan 8.150 nan 0.000 0.472 195 Y N 3.259 123.545 120.300 -0.023 0.000 2.748 195 Y HA 0.259 4.808 4.550 -0.000 0.000 0.359 195 Y C 0.973 176.809 175.900 -0.107 0.000 1.030 195 Y CA -0.604 57.450 58.100 -0.078 0.000 1.169 195 Y CB 0.596 38.930 38.460 -0.209 0.000 1.127 195 Y HN 0.646 nan 8.280 nan 0.000 0.644 196 L N 0.235 121.498 121.223 0.067 0.000 2.197 196 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 196 L C 1.585 178.333 176.870 -0.204 0.000 1.095 196 L CA 1.881 56.730 54.840 0.015 0.000 0.764 196 L CB -0.239 41.901 42.059 0.135 0.000 0.897 196 L HN 0.572 nan 8.230 nan 0.000 0.436 197 D N -1.446 118.698 120.400 -0.426 0.000 2.350 197 D HA -0.186 4.453 4.640 -0.000 0.000 0.216 197 D C 1.749 177.790 176.300 -0.430 0.000 0.968 197 D CA 0.713 54.234 54.000 -0.798 0.000 0.894 197 D CB -0.197 40.174 40.800 -0.715 0.000 0.909 197 D HN 0.322 nan 8.370 nan 0.000 0.520 198 Q N -0.357 119.253 119.800 -0.317 0.000 2.282 198 Q HA 0.140 4.480 4.340 -0.000 0.000 0.206 198 Q C 1.701 177.445 176.000 -0.426 0.000 0.878 198 Q CA -0.216 55.366 55.803 -0.367 0.000 0.944 198 Q CB 0.568 29.101 28.738 -0.342 0.000 1.100 198 Q HN 0.417 nan 8.270 nan 0.000 0.509 199 R N 1.727 122.031 120.500 -0.325 0.000 2.115 199 R HA -0.204 4.135 4.340 -0.000 0.000 0.239 199 R C 1.366 177.494 176.300 -0.287 0.000 1.133 199 R CA 1.932 57.857 56.100 -0.292 0.000 0.935 199 R CB 0.113 30.291 30.300 -0.203 0.000 0.853 199 R HN 0.218 nan 8.270 nan 0.000 0.433 200 E N -0.393 119.687 120.200 -0.200 0.000 2.204 200 E HA -0.128 4.222 4.350 -0.000 0.000 0.194 200 E C 1.757 178.265 176.600 -0.153 0.000 0.989 200 E CA 0.824 57.148 56.400 -0.127 0.000 0.824 200 E CB 0.030 29.708 29.700 -0.037 0.000 0.756 200 E HN 0.415 nan 8.360 nan 0.000 0.477 201 N N 0.626 119.150 118.700 -0.293 0.000 2.216 201 N HA -0.071 4.669 4.740 -0.000 0.000 0.183 201 N C 1.611 176.985 175.510 -0.227 0.000 1.017 201 N CA 0.767 53.606 53.050 -0.353 0.000 0.861 201 N CB -0.070 37.850 38.487 -0.946 0.000 0.986 201 N HN 0.150 nan 8.380 nan 0.000 0.428 202 R N 0.801 120.945 120.500 -0.593 0.000 2.070 202 R HA -0.004 4.336 4.340 -0.000 0.000 0.233 202 R C 2.321 178.269 176.300 -0.586 0.000 1.137 202 R CA 0.840 56.468 56.100 -0.786 0.000 0.945 202 R CB -0.671 28.991 30.300 -1.064 0.000 0.845 202 R HN 0.177 nan 8.270 nan 0.000 0.430 203 L N -0.081 120.801 121.223 -0.568 0.000 2.043 203 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 203 L C 1.606 178.420 176.870 -0.094 0.000 1.075 203 L CA 0.947 55.582 54.840 -0.341 0.000 0.752 203 L CB -0.612 41.345 42.059 -0.169 0.000 0.891 203 L HN 0.157 nan 8.230 nan 0.000 0.432 207 R N 0.243 120.451 120.500 -0.486 0.000 2.313 207 R HA 0.165 4.505 4.340 -0.000 0.000 0.199 207 R C -0.167 175.775 176.300 -0.596 0.000 0.958 207 R CA 0.495 56.218 56.100 -0.630 0.000 1.047 207 R CB 0.152 29.889 30.300 -0.937 0.000 0.955 207 R HN -0.137 nan 8.270 nan 0.000 0.481 208 F N 0.535 120.542 119.950 0.095 0.000 2.458 208 F HA 0.496 5.023 4.527 -0.000 0.000 0.330 208 F C 0.530 176.406 175.800 0.127 0.000 1.082 208 F CA -1.099 57.012 58.000 0.186 0.000 0.995 208 F CB 1.134 40.360 39.000 0.377 0.000 1.170 208 F HN -0.336 nan 8.300 nan 0.000 0.478 209 R N 0.572 121.051 120.500 -0.034 0.000 2.795 209 R HA 0.850 5.190 4.340 -0.000 0.000 0.275 209 R C -0.418 175.206 176.300 -1.127 0.000 0.981 209 R CA -1.158 54.564 56.100 -0.630 0.000 0.917 209 R CB 2.527 32.668 30.300 -0.265 0.000 1.202 209 R HN 0.930 nan 8.270 nan 0.000 0.469 210 G N 0.241 108.120 108.800 -1.535 0.000 2.321 210 G HA2 0.009 3.969 3.960 -0.000 0.000 0.296 210 G HA3 0.009 3.969 3.960 -0.000 0.000 0.296 210 G C -0.454 174.286 174.900 -0.267 0.000 1.287 210 G CA -0.454 44.175 45.100 -0.784 0.000 0.846 210 G HN 0.580 nan 8.290 nan 0.000 0.508 211 E N -0.425 119.823 120.200 0.080 0.000 2.021 211 E HA 0.191 4.541 4.350 -0.000 0.000 0.191 211 E C 0.632 177.425 176.600 0.322 0.000 0.971 211 E CA 0.338 56.831 56.400 0.155 0.000 0.825 211 E CB 0.290 30.050 29.700 0.100 0.000 0.788 211 E HN 0.341 nan 8.360 nan 0.000 0.460 212 R N -0.282 120.435 120.500 0.362 0.000 2.514 212 R HA 0.625 4.965 4.340 -0.000 0.000 0.301 212 R C -1.333 175.193 176.300 0.377 0.000 0.962 212 R CA -0.359 55.965 56.100 0.372 0.000 0.882 212 R CB 2.130 32.608 30.300 0.296 0.000 1.143 212 R HN 0.214 nan 8.270 nan 0.000 0.452 213 A N 2.979 125.883 122.820 0.140 0.000 2.371 213 A HA 0.579 4.899 4.320 -0.000 0.000 0.311 213 A C -1.659 175.799 177.584 -0.209 0.000 1.068 213 A CA -0.625 51.280 52.037 -0.221 0.000 0.744 213 A CB 1.343 19.922 19.000 -0.702 0.000 1.239 213 A HN 0.530 nan 8.150 nan 0.000 0.435 214 L N 1.708 122.667 121.223 -0.440 0.000 2.313 214 L HA 0.638 4.978 4.340 -0.000 0.000 0.283 214 L C -0.983 175.683 176.870 -0.341 0.000 1.013 214 L CA -0.090 54.420 54.840 -0.550 0.000 0.816 214 L CB 1.698 43.067 42.059 -1.151 0.000 1.236 214 L HN 0.633 nan 8.230 nan 0.000 0.419 215 D N 4.582 124.849 120.400 -0.222 0.000 2.458 215 D HA 0.226 4.865 4.640 -0.000 0.000 0.258 215 D C -0.817 175.408 176.300 -0.125 0.000 1.134 215 D CA -0.233 53.688 54.000 -0.132 0.000 0.915 215 D CB 0.841 41.620 40.800 -0.034 0.000 1.028 215 D HN 0.282 nan 8.370 nan 0.000 0.508 216 V N 3.819 123.652 119.914 -0.135 0.000 2.637 216 V HA 0.178 4.298 4.120 -0.000 0.000 0.296 216 V C 0.526 176.625 176.094 0.008 0.000 1.046 216 V CA -0.320 61.877 62.300 -0.171 0.000 1.066 216 V CB -0.422 31.329 31.823 -0.119 0.000 0.968 216 V HN 0.541 nan 8.190 nan 0.000 0.483 217 F N 2.834 122.674 119.950 -0.183 0.000 2.695 217 F HA -0.209 4.318 4.527 -0.000 0.000 0.305 217 F C 1.543 177.128 175.800 -0.359 0.000 1.044 217 F CA 0.744 58.532 58.000 -0.354 0.000 1.049 217 F CB -1.805 37.038 39.000 -0.261 0.000 1.267 217 F HN 0.692 nan 8.300 nan 0.000 0.828 218 S N -1.279 114.331 115.700 -0.151 0.000 2.528 218 S HA 0.187 4.657 4.470 -0.000 0.000 0.219 218 S C 0.962 175.660 174.600 0.165 0.000 0.985 218 S CA 0.614 58.851 58.200 0.061 0.000 0.914 218 S CB -0.025 63.198 63.200 0.038 0.000 0.776 218 S HN 0.625 nan 8.310 nan 0.000 0.526 219 Y N 1.159 121.473 120.300 0.022 0.000 2.875 219 Y HA -0.437 4.113 4.550 -0.000 0.000 0.467 219 Y C 1.900 177.828 175.900 0.046 0.000 1.183 219 Y CA 0.277 58.382 58.100 0.009 0.000 2.568 219 Y CB -1.881 36.499 38.460 -0.133 0.000 1.216 219 Y HN 0.326 nan 8.280 nan 0.000 0.629 220 A N 1.691 124.686 122.820 0.292 0.000 2.250 220 A HA 0.409 4.729 4.320 -0.000 0.000 0.208 220 A C 1.797 179.462 177.584 0.136 0.000 1.254 220 A CA 1.308 53.461 52.037 0.193 0.000 0.858 220 A CB -1.584 17.546 19.000 0.218 0.000 0.820 220 A HN 2.098 nan 8.150 nan 0.000 0.484 221 G N -1.741 107.144 108.800 0.141 0.000 2.198 221 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.260 221 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.260 221 G C 1.183 176.135 174.900 0.086 0.000 1.025 221 G CA 0.618 45.785 45.100 0.112 0.000 0.769 221 G HN 1.248 nan 8.290 nan 0.000 0.507 222 G N -0.226 108.600 108.800 0.043 0.000 2.440 222 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.218 222 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.218 222 G C 1.435 176.328 174.900 -0.011 0.000 1.154 222 G CA 1.544 46.592 45.100 -0.087 0.000 0.767 222 G HN 0.478 nan 8.290 nan 0.000 0.552 223 F N 1.687 121.676 119.950 0.064 0.000 2.146 223 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 223 F C 3.037 178.895 175.800 0.097 0.000 1.096 223 F CA 0.841 58.894 58.000 0.089 0.000 1.275 223 F CB -0.449 38.585 39.000 0.056 0.000 1.008 223 F HN 0.241 nan 8.300 nan 0.000 0.480 224 A N 0.494 123.455 122.820 0.234 0.000 1.873 224 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 224 A C 2.276 179.918 177.584 0.096 0.000 1.193 224 A CA 1.854 53.968 52.037 0.128 0.000 0.629 224 A CB -1.240 17.811 19.000 0.085 0.000 0.826 224 A HN 0.387 nan 8.150 nan 0.000 0.447 225 L N -1.374 119.879 121.223 0.049 0.000 2.013 225 L HA -0.263 4.077 4.340 -0.000 0.000 0.212 225 L C 2.692 179.516 176.870 -0.077 0.000 1.073 225 L CA 1.724 56.538 54.840 -0.044 0.000 0.753 225 L CB -0.962 41.012 42.059 -0.141 0.000 0.890 225 L HN 0.519 nan 8.230 nan 0.000 0.432 226 H N -0.267 118.833 119.070 0.049 0.000 2.395 226 H HA -0.046 4.510 4.556 -0.000 0.000 0.299 226 H C 2.412 177.817 175.328 0.129 0.000 1.070 226 H CA 1.202 57.291 56.048 0.068 0.000 1.356 226 H CB 0.076 29.861 29.762 0.039 0.000 1.401 226 H HN 0.347 nan 8.280 nan 0.000 0.524 227 L N 0.267 121.641 121.223 0.252 0.000 2.093 227 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 227 L C 2.853 179.873 176.870 0.249 0.000 1.085 227 L CA 0.701 55.673 54.840 0.220 0.000 0.755 227 L CB -0.508 41.576 42.059 0.043 0.000 0.904 227 L HN 0.176 nan 8.230 nan 0.000 0.435 228 A N 0.246 123.164 122.820 0.163 0.000 2.084 228 A HA -0.181 4.139 4.320 -0.000 0.000 0.221 228 A C 2.172 179.850 177.584 0.157 0.000 1.161 228 A CA 1.415 53.540 52.037 0.147 0.000 0.653 228 A CB -0.654 18.396 19.000 0.084 0.000 0.802 228 A HN 0.441 nan 8.150 nan 0.000 0.457 229 L N -1.929 119.390 121.223 0.159 0.000 2.418 229 L HA 0.052 4.392 4.340 -0.000 0.000 0.218 229 L C 2.181 179.139 176.870 0.146 0.000 1.125 229 L CA 0.789 55.705 54.840 0.127 0.000 0.835 229 L CB -0.139 41.982 42.059 0.103 0.000 0.953 229 L HN 0.492 nan 8.230 nan 0.000 0.454 230 G N -1.505 107.448 108.800 0.255 0.000 3.104 230 G HA2 0.202 4.162 3.960 -0.000 0.000 0.237 230 G HA3 0.202 4.162 3.960 -0.000 0.000 0.237 230 G C -0.047 174.864 174.900 0.018 0.000 1.035 230 G CA -0.100 45.099 45.100 0.165 0.000 0.844 230 G HN 0.005 nan 8.290 nan 0.000 0.531 231 F N 0.004 120.008 119.950 0.090 0.000 2.546 231 F HA 0.536 5.063 4.527 -0.000 0.000 0.320 231 F C 1.343 177.185 175.800 0.070 0.000 1.076 231 F CA -1.229 56.823 58.000 0.087 0.000 0.928 231 F CB 1.821 40.883 39.000 0.104 0.000 1.189 231 F HN -0.216 nan 8.300 nan 0.000 0.465 232 R N 0.365 120.983 120.500 0.196 0.000 2.091 232 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 232 R C 0.071 176.460 176.300 0.149 0.000 1.136 232 R CA 1.346 57.525 56.100 0.132 0.000 0.959 232 R CB 0.101 30.456 30.300 0.091 0.000 0.856 232 R HN 0.660 nan 8.270 nan 0.000 0.437 233 E N 0.249 120.565 120.200 0.195 0.000 2.292 233 E HA 0.318 4.668 4.350 -0.000 0.000 0.272 233 E C -1.725 174.974 176.600 0.164 0.000 0.881 233 E CA -0.518 55.976 56.400 0.156 0.000 0.754 233 E CB 2.209 31.986 29.700 0.129 0.000 1.201 233 E HN -0.196 nan 8.360 nan 0.000 0.425 234 V N 4.070 124.050 119.914 0.109 0.000 2.531 234 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 234 V C -0.574 175.546 176.094 0.043 0.000 1.034 234 V CA -0.828 61.504 62.300 0.054 0.000 0.865 234 V CB 1.835 33.682 31.823 0.040 0.000 0.995 234 V HN 0.545 nan 8.190 nan 0.000 0.424 235 V N 4.453 124.377 119.914 0.016 0.000 2.294 235 V HA 0.614 4.734 4.120 -0.000 0.000 0.272 235 V C 0.581 176.649 176.094 -0.043 0.000 1.027 235 V CA -0.491 61.813 62.300 0.007 0.000 0.823 235 V CB 1.343 33.191 31.823 0.042 0.000 1.030 235 V HN 0.960 nan 8.190 nan 0.000 0.457 236 A N 5.698 128.503 122.820 -0.024 0.000 2.309 236 A HA 0.726 5.046 4.320 -0.000 0.000 0.290 236 A C -0.313 177.232 177.584 -0.066 0.000 1.206 236 A CA -0.283 51.732 52.037 -0.036 0.000 0.850 236 A CB 0.608 19.608 19.000 0.001 0.000 1.118 236 A HN 0.620 nan 8.150 nan 0.000 0.523 237 V N 3.240 123.084 119.914 -0.117 0.000 2.581 237 V HA 0.635 4.755 4.120 -0.000 0.000 0.303 237 V C -0.155 175.809 176.094 -0.217 0.000 1.041 237 V CA -0.528 61.674 62.300 -0.162 0.000 0.907 237 V CB 1.765 33.459 31.823 -0.215 0.000 0.994 237 V HN 1.008 nan 8.190 nan 0.000 0.442 238 D N 0.982 121.263 120.400 -0.199 0.000 2.685 238 D HA 0.152 4.792 4.640 -0.000 0.000 0.236 238 D C 0.323 176.536 176.300 -0.145 0.000 1.233 238 D CA 0.018 53.889 54.000 -0.215 0.000 0.760 238 D CB 2.570 43.269 40.800 -0.169 0.000 1.410 238 D HN 0.543 nan 8.370 nan 0.000 0.439 239 S N -0.042 115.587 115.700 -0.119 0.000 2.593 239 S HA 0.089 4.559 4.470 -0.000 0.000 0.217 239 S C 0.751 175.333 174.600 -0.029 0.000 0.966 239 S CA -0.148 58.016 58.200 -0.061 0.000 0.914 239 S CB 0.235 63.417 63.200 -0.030 0.000 0.776 239 S HN 0.227 nan 8.310 nan 0.000 0.523 240 S N 0.753 116.436 115.700 -0.029 0.000 2.438 240 S HA 0.701 5.171 4.470 -0.000 0.000 0.316 240 S C 1.057 175.658 174.600 0.002 0.000 1.084 240 S CA -0.261 57.939 58.200 0.000 0.000 1.107 240 S CB 1.026 64.240 63.200 0.023 0.000 0.981 240 S HN 0.426 nan 8.310 nan 0.000 0.466 241 A N 4.199 127.022 122.820 0.006 0.000 1.902 241 A HA -0.055 4.265 4.320 -0.000 0.000 0.217 241 A C 1.910 179.506 177.584 0.019 0.000 1.181 241 A CA 1.938 53.979 52.037 0.008 0.000 0.623 241 A CB -0.863 18.142 19.000 0.008 0.000 0.818 241 A HN 0.883 nan 8.150 nan 0.000 0.443 242 E N 0.660 120.876 120.200 0.027 0.000 2.058 242 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 242 E C 1.944 178.575 176.600 0.050 0.000 0.997 242 E CA 1.977 58.400 56.400 0.037 0.000 0.801 242 E CB -0.553 29.173 29.700 0.043 0.000 0.746 242 E HN 0.461 nan 8.360 nan 0.000 0.450 243 A N 0.856 123.710 122.820 0.056 0.000 1.845 243 A HA -0.132 4.188 4.320 -0.000 0.000 0.215 243 A C 2.408 180.026 177.584 0.057 0.000 1.195 243 A CA 1.663 53.745 52.037 0.076 0.000 0.616 243 A CB -0.961 18.078 19.000 0.065 0.000 0.832 243 A HN 0.366 nan 8.150 nan 0.000 0.443 244 L N -1.350 119.890 121.223 0.028 0.000 2.187 244 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 244 L C 2.760 179.648 176.870 0.030 0.000 1.100 244 L CA 1.586 56.439 54.840 0.021 0.000 0.765 244 L CB -0.503 41.557 42.059 0.002 0.000 0.904 244 L HN 0.402 nan 8.230 nan 0.000 0.437 245 R N 0.452 120.971 120.500 0.033 0.000 2.066 245 R HA -0.111 4.229 4.340 -0.000 0.000 0.232 245 R C 2.464 178.788 176.300 0.041 0.000 1.131 245 R CA 1.383 57.502 56.100 0.032 0.000 0.955 245 R CB -0.075 30.243 30.300 0.030 0.000 0.851 245 R HN 0.218 nan 8.270 nan 0.000 0.432 246 R N -0.465 120.068 120.500 0.055 0.000 2.148 246 R HA -0.015 4.325 4.340 -0.000 0.000 0.227 246 R C 2.183 178.526 176.300 0.073 0.000 1.103 246 R CA 1.051 57.191 56.100 0.067 0.000 0.983 246 R CB -0.255 30.098 30.300 0.088 0.000 0.874 246 R HN 0.240 nan 8.270 nan 0.000 0.451 247 A N 1.658 124.520 122.820 0.069 0.000 1.873 247 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 247 A C 1.898 179.512 177.584 0.050 0.000 1.186 247 A CA 1.245 53.321 52.037 0.064 0.000 0.616 247 A CB -0.260 18.773 19.000 0.055 0.000 0.823 247 A HN 0.287 nan 8.150 nan 0.000 0.442 248 E N -0.611 119.614 120.200 0.041 0.000 2.110 248 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 248 E C 2.052 178.672 176.600 0.035 0.000 0.988 248 E CA 1.187 57.607 56.400 0.034 0.000 0.804 248 E CB -0.161 29.556 29.700 0.027 0.000 0.745 248 E HN 0.837 nan 8.360 nan 0.000 0.458 249 E N 1.079 121.302 120.200 0.038 0.000 2.051 249 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 249 E C 1.901 178.526 176.600 0.042 0.000 0.991 249 E CA 0.967 57.389 56.400 0.036 0.000 0.799 249 E CB 0.096 29.818 29.700 0.036 0.000 0.748 249 E HN 0.122 nan 8.360 nan 0.000 0.449 250 N N 0.443 119.177 118.700 0.057 0.000 2.166 250 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 250 N C 1.701 177.240 175.510 0.047 0.000 1.019 250 N CA 1.179 54.270 53.050 0.067 0.000 0.856 250 N CB -0.302 38.242 38.487 0.095 0.000 0.993 250 N HN 0.263 nan 8.380 nan 0.000 0.426 251 A N 2.036 124.880 122.820 0.040 0.000 1.865 251 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 251 A C 2.257 179.857 177.584 0.027 0.000 1.191 251 A CA 1.214 53.270 52.037 0.031 0.000 0.623 251 A CB -0.453 18.567 19.000 0.033 0.000 0.826 251 A HN 0.263 nan 8.150 nan 0.000 0.444 252 R N -1.084 119.432 120.500 0.027 0.000 2.081 252 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 252 R C 2.073 178.386 176.300 0.021 0.000 1.131 252 R CA 1.372 57.486 56.100 0.023 0.000 0.960 252 R CB -0.738 29.574 30.300 0.021 0.000 0.856 252 R HN 0.479 nan 8.270 nan 0.000 0.436 253 L N 1.654 122.891 121.223 0.024 0.000 2.189 253 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 253 L C 1.103 177.984 176.870 0.019 0.000 1.097 253 L CA 1.753 56.606 54.840 0.021 0.000 0.764 253 L CB -0.271 41.804 42.059 0.027 0.000 0.900 253 L HN 0.154 nan 8.230 nan 0.000 0.436 254 N N -0.306 118.406 118.700 0.019 0.000 2.236 254 N HA 0.151 4.891 4.740 -0.000 0.000 0.196 254 N C 0.892 176.410 175.510 0.014 0.000 1.114 254 N CA 0.800 53.858 53.050 0.013 0.000 0.859 254 N CB 0.482 38.972 38.487 0.004 0.000 0.982 254 N HN 0.386 nan 8.380 nan 0.000 0.493 255 G N 1.604 110.414 108.800 0.017 0.000 2.298 255 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.287 255 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.287 255 G C -0.409 174.504 174.900 0.021 0.000 1.075 255 G CA -0.035 45.076 45.100 0.018 0.000 0.960 255 G HN 0.244 nan 8.290 nan 0.000 0.502 256 L N -0.038 121.199 121.223 0.024 0.000 2.316 256 L HA 0.623 4.963 4.340 -0.000 0.000 0.280 256 L C 1.327 178.216 176.870 0.032 0.000 1.006 256 L CA -0.183 54.674 54.840 0.030 0.000 0.836 256 L CB 1.768 43.845 42.059 0.030 0.000 1.221 256 L HN 0.221 nan 8.230 nan 0.000 0.418 257 G N 1.156 109.976 108.800 0.034 0.000 3.126 257 G HA2 -0.071 3.888 3.960 -0.000 0.000 0.224 257 G HA3 -0.071 3.888 3.960 -0.000 0.000 0.224 257 G C 0.777 175.701 174.900 0.040 0.000 1.142 257 G CA -0.129 44.991 45.100 0.033 0.000 0.759 257 G HN 0.711 nan 8.290 nan 0.000 0.550 258 N N 0.038 118.768 118.700 0.049 0.000 2.336 258 N HA 0.078 4.818 4.740 -0.000 0.000 0.189 258 N C 0.027 175.576 175.510 0.065 0.000 1.113 258 N CA -0.104 52.983 53.050 0.062 0.000 0.858 258 N CB 0.459 38.993 38.487 0.078 0.000 0.970 258 N HN 0.027 nan 8.380 nan 0.000 0.471 259 V N 1.334 121.280 119.914 0.053 0.000 2.370 259 V HA 0.354 4.474 4.120 -0.000 0.000 0.279 259 V C 0.025 176.143 176.094 0.040 0.000 1.029 259 V CA -0.749 61.580 62.300 0.049 0.000 0.870 259 V CB 0.756 32.605 31.823 0.044 0.000 0.984 259 V HN 0.189 nan 8.190 nan 0.000 0.451 260 R N 3.573 124.096 120.500 0.039 0.000 2.360 260 R HA 0.606 4.946 4.340 -0.000 0.000 0.318 260 R C -0.409 175.903 176.300 0.020 0.000 0.950 260 R CA -0.646 55.472 56.100 0.031 0.000 0.837 260 R CB 2.033 32.355 30.300 0.037 0.000 1.165 260 R HN 0.663 nan 8.270 nan 0.000 0.458 261 V N 1.307 121.230 119.914 0.015 0.000 3.264 261 V HA 0.494 4.614 4.120 -0.000 0.000 0.304 261 V C 0.207 176.298 176.094 -0.004 0.000 1.086 261 V CA -0.683 61.618 62.300 0.003 0.000 1.090 261 V CB 0.915 32.741 31.823 0.006 0.000 1.112 261 V HN 0.780 nan 8.190 nan 0.000 0.472 262 L N 0.866 122.077 121.223 -0.020 0.000 2.847 262 L HA 0.366 4.706 4.340 -0.000 0.000 0.243 262 L C -0.264 176.580 176.870 -0.043 0.000 0.978 262 L CA -0.253 54.572 54.840 -0.024 0.000 1.030 262 L CB 0.912 42.958 42.059 -0.021 0.000 1.351 262 L HN 1.047 nan 8.230 nan 0.000 0.512 263 E N 3.732 123.912 120.200 -0.034 0.000 2.415 263 E HA 0.505 4.855 4.350 -0.000 0.000 0.260 263 E C -0.488 176.084 176.600 -0.046 0.000 1.016 263 E CA 0.754 57.129 56.400 -0.041 0.000 0.924 263 E CB 0.761 30.446 29.700 -0.024 0.000 0.961 263 E HN 0.624 nan 8.360 nan 0.000 0.459 264 A N 4.604 127.383 122.820 -0.067 0.000 2.522 264 A HA 0.217 4.537 4.320 -0.000 0.000 0.291 264 A C -1.376 176.158 177.584 -0.083 0.000 1.039 264 A CA -0.840 51.159 52.037 -0.064 0.000 0.643 264 A CB 1.013 19.976 19.000 -0.062 0.000 1.310 264 A HN 0.680 nan 8.150 nan 0.000 0.436 265 N N 0.968 119.638 118.700 -0.051 0.000 2.406 265 N HA 0.372 5.112 4.740 -0.000 0.000 0.251 265 N C 1.159 176.654 175.510 -0.026 0.000 1.069 265 N CA 0.455 53.491 53.050 -0.025 0.000 0.947 265 N CB 1.644 40.135 38.487 0.005 0.000 1.111 265 N HN 0.886 nan 8.380 nan 0.000 0.497 266 A N 4.936 127.695 122.820 -0.101 0.000 1.884 266 A HA -0.209 4.110 4.320 -0.000 0.000 0.219 266 A C 1.592 179.162 177.584 -0.024 0.000 1.197 266 A CA 1.386 53.299 52.037 -0.207 0.000 0.637 266 A CB -0.844 17.775 19.000 -0.636 0.000 0.827 266 A HN 0.711 nan 8.150 nan 0.000 0.450 267 F N 0.680 120.599 119.950 -0.052 0.000 2.091 267 F HA -0.222 4.305 4.527 -0.000 0.000 0.299 267 F C 2.307 178.087 175.800 -0.033 0.000 1.103 267 F CA 1.877 59.867 58.000 -0.017 0.000 1.228 267 F CB -0.523 38.467 39.000 -0.017 0.000 0.984 267 F HN 0.270 nan 8.300 nan 0.000 0.477 268 D N -0.268 120.226 120.400 0.156 0.000 2.110 268 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 268 D C 2.357 178.673 176.300 0.027 0.000 0.975 268 D CA 0.792 54.834 54.000 0.070 0.000 0.839 268 D CB -0.779 40.046 40.800 0.042 0.000 0.996 268 D HN 0.149 nan 8.370 nan 0.000 0.464 269 L N 1.328 122.553 121.223 0.005 0.000 2.043 269 L HA -0.176 4.164 4.340 -0.000 0.000 0.212 269 L C 2.255 179.120 176.870 -0.008 0.000 1.075 269 L CA 1.391 56.223 54.840 -0.013 0.000 0.752 269 L CB -0.662 41.371 42.059 -0.044 0.000 0.891 269 L HN 0.004 nan 8.230 nan 0.000 0.432 270 L N -1.011 120.195 121.223 -0.029 0.000 2.046 270 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 270 L C 2.779 179.649 176.870 -0.001 0.000 1.077 270 L CA 1.453 56.276 54.840 -0.028 0.000 0.747 270 L CB -0.566 41.447 42.059 -0.076 0.000 0.896 270 L HN 0.270 nan 8.230 nan 0.000 0.432 271 R N -0.097 120.403 120.500 0.001 0.000 2.073 271 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 271 R C 2.403 178.709 176.300 0.010 0.000 1.134 271 R CA 1.205 57.309 56.100 0.007 0.000 0.952 271 R CB -0.447 29.862 30.300 0.015 0.000 0.850 271 R HN 0.387 nan 8.270 nan 0.000 0.433 272 R N 1.013 121.520 120.500 0.013 0.000 2.080 272 R HA -0.104 4.235 4.340 -0.000 0.000 0.236 272 R C 2.451 178.761 176.300 0.018 0.000 1.137 272 R CA 1.476 57.583 56.100 0.012 0.000 0.943 272 R CB -0.676 29.631 30.300 0.011 0.000 0.846 272 R HN 0.198 nan 8.270 nan 0.000 0.431 273 L N 0.779 122.022 121.223 0.034 0.000 2.189 273 L HA -0.207 4.133 4.340 -0.000 0.000 0.214 273 L C 2.616 179.509 176.870 0.039 0.000 1.097 273 L CA 1.338 56.211 54.840 0.057 0.000 0.764 273 L CB -0.574 41.565 42.059 0.134 0.000 0.900 273 L HN 0.387 nan 8.230 nan 0.000 0.436 274 E N 1.036 121.254 120.200 0.030 0.000 2.046 274 E HA -0.202 4.148 4.350 -0.000 0.000 0.190 274 E C 2.114 178.714 176.600 0.000 0.000 0.982 274 E CA 0.921 57.330 56.400 0.015 0.000 0.800 274 E CB 0.133 29.838 29.700 0.008 0.000 0.756 274 E HN 0.424 nan 8.360 nan 0.000 0.449 275 K N 0.582 120.982 120.400 0.000 0.000 2.032 275 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 275 K C 1.927 178.522 176.600 -0.009 0.000 1.048 275 K CA 1.698 57.982 56.287 -0.004 0.000 0.927 275 K CB -0.109 32.390 32.500 -0.002 0.000 0.712 275 K HN 0.203 nan 8.250 nan 0.000 0.441 276 E N 0.130 120.325 120.200 -0.009 0.000 2.516 276 E HA -0.017 4.333 4.350 -0.000 0.000 0.199 276 E C 0.363 176.946 176.600 -0.029 0.000 1.069 276 E CA 0.210 56.600 56.400 -0.016 0.000 0.876 276 E CB -0.021 29.671 29.700 -0.014 0.000 0.843 276 E HN 0.486 nan 8.360 nan 0.000 0.530 277 G N 2.375 111.158 108.800 -0.028 0.000 2.314 277 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.292 277 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.292 277 G C -0.427 174.428 174.900 -0.076 0.000 1.059 277 G CA 0.028 45.104 45.100 -0.041 0.000 0.982 277 G HN 0.270 nan 8.290 nan 0.000 0.505 278 E N 0.320 120.466 120.200 -0.091 0.000 2.146 278 E HA 0.482 4.832 4.350 -0.000 0.000 0.282 278 E C 0.194 176.634 176.600 -0.266 0.000 0.989 278 E CA -0.681 55.591 56.400 -0.214 0.000 0.799 278 E CB 1.118 30.693 29.700 -0.209 0.000 1.088 278 E HN 0.228 nan 8.360 nan 0.000 0.397 279 R N 2.765 123.039 120.500 -0.376 0.000 2.561 279 R HA 0.484 4.824 4.340 -0.000 0.000 0.297 279 R C -0.739 175.339 176.300 -0.370 0.000 0.969 279 R CA -0.735 55.224 56.100 -0.236 0.000 0.879 279 R CB 0.570 30.817 30.300 -0.087 0.000 1.178 279 R HN 0.348 nan 8.270 nan 0.000 0.445 280 F N -0.093 119.861 119.950 0.006 0.000 2.572 280 F HA 0.343 4.870 4.527 -0.000 0.000 0.342 280 F C 1.300 177.126 175.800 0.043 0.000 1.064 280 F CA -1.072 56.943 58.000 0.024 0.000 1.008 280 F CB 0.872 39.872 39.000 -0.001 0.000 1.303 280 F HN 0.367 nan 8.300 nan 0.000 0.492 281 D N -0.062 120.528 120.400 0.316 0.000 2.249 281 D HA 0.115 4.755 4.640 -0.000 0.000 0.205 281 D C -0.444 175.981 176.300 0.208 0.000 0.962 281 D CA 1.173 55.334 54.000 0.269 0.000 0.860 281 D CB 0.348 41.392 40.800 0.407 0.000 0.955 281 D HN 0.123 nan 8.370 nan 0.000 0.505 282 L N -0.268 121.032 121.223 0.129 0.000 2.545 282 L HA 0.536 4.876 4.340 -0.000 0.000 0.258 282 L C -1.852 174.913 176.870 -0.175 0.000 0.942 282 L CA -1.008 53.791 54.840 -0.068 0.000 0.855 282 L CB 1.819 43.770 42.059 -0.180 0.000 1.374 282 L HN -0.250 nan 8.230 nan 0.000 0.411 283 V N 3.794 123.595 119.914 -0.188 0.000 2.925 283 V HA 0.805 4.925 4.120 -0.000 0.000 0.311 283 V C -1.013 174.963 176.094 -0.196 0.000 1.104 283 V CA -0.657 61.495 62.300 -0.246 0.000 0.954 283 V CB 2.435 34.115 31.823 -0.239 0.000 1.022 283 V HN 0.591 nan 8.190 nan 0.000 0.427 284 V N 4.808 124.599 119.914 -0.205 0.000 2.638 284 V HA 0.532 4.651 4.120 -0.000 0.000 0.306 284 V C -0.708 175.316 176.094 -0.117 0.000 1.052 284 V CA -0.483 61.701 62.300 -0.195 0.000 0.885 284 V CB 1.948 33.580 31.823 -0.318 0.000 0.999 284 V HN 0.638 nan 8.190 nan 0.000 0.424 285 L N 3.816 125.004 121.223 -0.057 0.000 2.316 285 L HA 0.547 4.887 4.340 -0.000 0.000 0.280 285 L C -0.631 176.251 176.870 0.020 0.000 1.006 285 L CA -0.213 54.660 54.840 0.056 0.000 0.836 285 L CB 1.613 43.709 42.059 0.063 0.000 1.221 285 L HN 0.618 nan 8.230 nan 0.000 0.418 286 D N 4.924 125.355 120.400 0.052 0.000 2.863 286 D HA 0.276 4.916 4.640 -0.000 0.000 0.323 286 D C -2.439 173.737 176.300 -0.207 0.000 1.286 286 D CA -1.911 52.102 54.000 0.021 0.000 0.921 286 D CB 0.837 41.768 40.800 0.218 0.000 1.024 286 D HN 0.108 nan 8.370 nan 0.000 0.505 287 P HA 0.161 nan 4.420 nan 0.000 0.265 287 P C -2.580 174.335 177.300 -0.641 0.000 1.193 287 P CA -0.883 61.586 63.100 -1.051 0.000 0.765 287 P CB 0.387 31.557 31.700 -0.883 0.000 0.823 288 P HA 0.154 nan 4.420 nan 0.000 0.275 288 P C -0.426 176.572 177.300 -0.502 0.000 1.228 288 P CA -0.207 62.716 63.100 -0.295 0.000 0.786 288 P CB 0.437 32.099 31.700 -0.063 0.000 0.927 289 A N 2.486 125.177 122.820 -0.216 0.000 2.624 289 A HA -0.065 4.255 4.320 -0.000 0.000 0.231 289 A C 0.107 177.645 177.584 -0.076 0.000 1.034 289 A CA 0.770 52.742 52.037 -0.108 0.000 0.754 289 A CB -0.912 18.098 19.000 0.017 0.000 0.953 289 A HN 0.633 nan 8.150 nan 0.000 0.509 290 F N 0.808 120.809 119.950 0.085 0.000 2.791 290 F HA 0.454 4.981 4.527 -0.000 0.000 0.308 290 F C 0.945 176.801 175.800 0.093 0.000 1.138 290 F CA 0.378 58.388 58.000 0.017 0.000 1.294 290 F CB 0.554 39.471 39.000 -0.139 0.000 0.975 290 F HN 0.684 nan 8.300 nan 0.000 0.512 291 A N 0.669 123.675 122.820 0.310 0.000 2.599 291 A HA 0.383 4.703 4.320 -0.000 0.000 0.281 291 A C 0.130 177.841 177.584 0.212 0.000 1.137 291 A CA -0.616 51.558 52.037 0.228 0.000 0.767 291 A CB 0.591 19.761 19.000 0.283 0.000 1.266 291 A HN 0.338 nan 8.150 nan 0.000 0.420 292 K N 1.172 121.640 120.400 0.114 0.000 2.476 292 K HA 0.354 4.674 4.320 -0.000 0.000 0.196 292 K C 0.626 177.257 176.600 0.051 0.000 1.025 292 K CA 0.658 57.020 56.287 0.126 0.000 1.138 292 K CB 0.536 33.090 32.500 0.090 0.000 0.860 292 K HN 0.872 nan 8.250 nan 0.000 0.515 293 G N 1.201 109.896 108.800 -0.176 0.000 2.596 293 G HA2 0.002 3.962 3.960 -0.000 0.000 0.296 293 G HA3 0.002 3.962 3.960 -0.000 0.000 0.296 293 G C -0.596 173.918 174.900 -0.644 0.000 1.513 293 G CA -0.944 43.965 45.100 -0.317 0.000 0.851 293 G HN 0.114 nan 8.290 nan 0.000 0.548 294 K N -0.380 119.727 120.400 -0.488 0.000 2.687 294 K HA -0.015 4.305 4.320 -0.000 0.000 0.197 294 K C 1.279 177.825 176.600 -0.091 0.000 1.018 294 K CA 1.110 57.268 56.287 -0.215 0.000 1.035 294 K CB -0.102 32.442 32.500 0.072 0.000 0.834 294 K HN 0.543 nan 8.250 nan 0.000 0.496 295 K N -0.418 119.916 120.400 -0.110 0.000 2.380 295 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 295 K C 0.192 176.775 176.600 -0.028 0.000 1.070 295 K CA -0.102 56.158 56.287 -0.045 0.000 1.040 295 K CB 0.449 32.927 32.500 -0.037 0.000 0.903 295 K HN -0.036 nan 8.250 nan 0.000 0.549 296 D N 2.065 122.439 120.400 -0.044 0.000 2.349 296 D HA -0.045 4.595 4.640 -0.000 0.000 0.214 296 D C 2.016 178.359 176.300 0.072 0.000 1.063 296 D CA 0.614 54.619 54.000 0.009 0.000 0.847 296 D CB 0.514 41.321 40.800 0.011 0.000 0.933 296 D HN 0.158 nan 8.370 nan 0.000 0.513 297 V N 0.492 120.453 119.914 0.079 0.000 2.277 297 V HA -0.371 3.749 4.120 -0.000 0.000 0.253 297 V C 2.402 178.606 176.094 0.184 0.000 1.067 297 V CA 2.196 64.597 62.300 0.169 0.000 1.047 297 V CB -0.882 31.029 31.823 0.147 0.000 0.649 297 V HN -0.004 nan 8.190 nan 0.000 0.447 298 E N 1.959 122.222 120.200 0.104 0.000 2.037 298 E HA -0.293 4.057 4.350 -0.000 0.000 0.214 298 E C 2.309 178.988 176.600 0.132 0.000 1.041 298 E CA 2.798 59.249 56.400 0.084 0.000 0.872 298 E CB -0.571 29.151 29.700 0.038 0.000 0.785 298 E HN 0.718 nan 8.360 nan 0.000 0.476 299 R N 0.305 120.861 120.500 0.093 0.000 2.096 299 R HA -0.045 4.295 4.340 -0.000 0.000 0.235 299 R C 2.471 178.836 176.300 0.109 0.000 1.127 299 R CA 1.210 57.353 56.100 0.071 0.000 0.968 299 R CB -0.788 29.521 30.300 0.014 0.000 0.861 299 R HN 0.297 nan 8.270 nan 0.000 0.440 300 A N 1.553 124.480 122.820 0.178 0.000 1.865 300 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 300 A C 2.097 179.936 177.584 0.424 0.000 1.191 300 A CA 1.406 53.613 52.037 0.284 0.000 0.623 300 A CB -0.969 18.283 19.000 0.420 0.000 0.826 300 A HN 0.426 nan 8.150 nan 0.000 0.444 301 Y N 0.750 121.233 120.300 0.306 0.000 2.069 301 Y HA -0.335 4.215 4.550 -0.000 0.000 0.278 301 Y C 2.620 178.654 175.900 0.223 0.000 1.175 301 Y CA 2.514 60.783 58.100 0.282 0.000 1.134 301 Y CB -0.236 38.317 38.460 0.156 0.000 0.965 301 Y HN 0.299 nan 8.280 nan 0.000 0.498 302 R N -0.232 120.475 120.500 0.345 0.000 2.105 302 R HA -0.187 4.153 4.340 -0.000 0.000 0.239 302 R C 2.526 178.903 176.300 0.128 0.000 1.135 302 R CA 1.130 57.353 56.100 0.206 0.000 0.967 302 R CB -0.727 29.660 30.300 0.146 0.000 0.861 302 R HN 0.451 nan 8.270 nan 0.000 0.442 303 A N 0.731 123.612 122.820 0.103 0.000 1.858 303 A HA -0.192 4.128 4.320 -0.000 0.000 0.216 303 A C 1.938 179.588 177.584 0.110 0.000 1.190 303 A CA 1.251 53.325 52.037 0.063 0.000 0.617 303 A CB -0.861 17.955 19.000 -0.307 0.000 0.827 303 A HN 0.331 nan 8.150 nan 0.000 0.443 304 Y N -0.148 120.251 120.300 0.166 0.000 2.181 304 Y HA -0.236 4.313 4.550 -0.000 0.000 0.288 304 Y C 2.526 178.365 175.900 -0.101 0.000 1.146 304 Y CA 2.013 60.153 58.100 0.066 0.000 1.164 304 Y CB -0.157 38.306 38.460 0.006 0.000 0.982 304 Y HN 0.308 nan 8.280 nan 0.000 0.515 305 K N 0.437 120.839 120.400 0.003 0.000 2.009 305 K HA -0.302 4.018 4.320 -0.000 0.000 0.210 305 K C 2.121 178.687 176.600 -0.057 0.000 1.049 305 K CA 1.970 58.200 56.287 -0.095 0.000 0.929 305 K CB -0.164 32.285 32.500 -0.086 0.000 0.714 305 K HN 0.149 nan 8.250 nan 0.000 0.440 306 E N 0.504 120.694 120.200 -0.016 0.000 2.038 306 E HA -0.166 4.183 4.350 -0.000 0.000 0.195 306 E C 1.743 178.273 176.600 -0.116 0.000 1.000 306 E CA 2.082 58.463 56.400 -0.031 0.000 0.803 306 E CB -0.308 29.423 29.700 0.051 0.000 0.750 306 E HN 0.208 nan 8.360 nan 0.000 0.448 307 V N 1.490 121.279 119.914 -0.208 0.000 2.358 307 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 307 V C 2.259 178.271 176.094 -0.136 0.000 1.047 307 V CA 1.996 64.130 62.300 -0.276 0.000 1.035 307 V CB -0.833 30.770 31.823 -0.367 0.000 0.658 307 V HN 0.289 nan 8.190 nan 0.000 0.452 308 N N 0.375 119.018 118.700 -0.095 0.000 2.084 308 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 308 N C 1.867 177.309 175.510 -0.113 0.000 1.030 308 N CA 1.700 54.690 53.050 -0.101 0.000 0.849 308 N CB -0.383 38.019 38.487 -0.142 0.000 1.012 308 N HN 0.407 nan 8.380 nan 0.000 0.423 309 L N 2.418 123.574 121.223 -0.111 0.000 1.990 309 L HA -0.173 4.167 4.340 -0.000 0.000 0.213 309 L C 2.207 179.025 176.870 -0.086 0.000 1.072 309 L CA 1.755 56.534 54.840 -0.101 0.000 0.755 309 L CB -0.672 41.335 42.059 -0.086 0.000 0.889 309 L HN 0.019 nan 8.230 nan 0.000 0.432 310 R N 0.247 120.698 120.500 -0.083 0.000 2.080 310 R HA -0.087 4.253 4.340 -0.000 0.000 0.236 310 R C 2.273 178.539 176.300 -0.057 0.000 1.137 310 R CA 1.575 57.634 56.100 -0.067 0.000 0.943 310 R CB -1.624 28.628 30.300 -0.080 0.000 0.846 310 R HN 0.578 nan 8.270 nan 0.000 0.431 311 A N 1.483 124.259 122.820 -0.074 0.000 1.892 311 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 311 A C 2.398 179.954 177.584 -0.046 0.000 1.188 311 A CA 1.701 53.698 52.037 -0.068 0.000 0.631 311 A CB -0.683 18.270 19.000 -0.077 0.000 0.822 311 A HN 0.251 nan 8.150 nan 0.000 0.447 312 I N -0.649 119.883 120.570 -0.062 0.000 2.163 312 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 312 I C 2.391 178.490 176.117 -0.030 0.000 1.085 312 I CA 1.753 63.019 61.300 -0.057 0.000 1.347 312 I CB -0.351 37.593 38.000 -0.093 0.000 1.044 312 I HN 0.291 nan 8.210 nan 0.000 0.408 313 K N 0.295 120.675 120.400 -0.033 0.000 2.280 313 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 313 K C 1.598 178.209 176.600 0.018 0.000 1.047 313 K CA 1.073 57.349 56.287 -0.018 0.000 0.942 313 K CB -0.055 32.427 32.500 -0.030 0.000 0.739 313 K HN 0.181 nan 8.250 nan 0.000 0.457 314 L N 0.499 121.752 121.223 0.050 0.000 2.558 314 L HA 0.109 4.449 4.340 -0.000 0.000 0.225 314 L C 0.604 177.580 176.870 0.176 0.000 1.128 314 L CA 0.641 55.563 54.840 0.136 0.000 0.868 314 L CB -0.296 41.897 42.059 0.223 0.000 1.006 314 L HN 0.041 nan 8.230 nan 0.000 0.454 315 L N 0.092 121.374 121.223 0.099 0.000 2.350 315 L HA 0.186 4.526 4.340 -0.000 0.000 0.275 315 L C 0.666 177.574 176.870 0.063 0.000 1.099 315 L CA -0.189 54.707 54.840 0.094 0.000 0.808 315 L CB 0.803 42.889 42.059 0.046 0.000 1.149 315 L HN 0.054 nan 8.230 nan 0.000 0.442 316 K N 1.730 122.171 120.400 0.069 0.000 2.180 316 K HA 0.093 4.413 4.320 -0.000 0.000 0.251 316 K C -0.094 176.527 176.600 0.035 0.000 1.014 316 K CA -0.460 55.852 56.287 0.042 0.000 0.913 316 K CB 0.468 32.996 32.500 0.046 0.000 1.008 316 K HN 0.474 nan 8.250 nan 0.000 0.490 317 E N 0.272 120.488 120.200 0.025 0.000 2.415 317 E HA -0.007 4.343 4.350 -0.000 0.000 0.260 317 E C 0.409 177.026 176.600 0.029 0.000 1.016 317 E CA 0.672 57.086 56.400 0.023 0.000 0.924 317 E CB -0.061 29.649 29.700 0.018 0.000 0.961 317 E HN 0.741 nan 8.360 nan 0.000 0.459 318 G N 2.945 111.763 108.800 0.030 0.000 2.175 318 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.244 318 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.244 318 G C 0.474 175.396 174.900 0.037 0.000 0.982 318 G CA -0.232 44.889 45.100 0.034 0.000 0.641 318 G HN 0.865 nan 8.290 nan 0.000 0.527 319 G N -0.592 108.231 108.800 0.038 0.000 2.606 319 G HA2 0.543 4.503 3.960 -0.000 0.000 0.252 319 G HA3 0.543 4.503 3.960 -0.000 0.000 0.252 319 G C 0.076 174.975 174.900 -0.001 0.000 1.206 319 G CA -0.361 44.762 45.100 0.039 0.000 0.861 319 G HN 0.621 nan 8.290 nan 0.000 0.561 320 I N 0.090 120.631 120.570 -0.049 0.000 2.441 320 I HA 0.318 4.488 4.170 -0.000 0.000 0.295 320 I C -0.773 175.279 176.117 -0.108 0.000 0.994 320 I CA -0.683 60.535 61.300 -0.136 0.000 1.144 320 I CB 1.960 39.727 38.000 -0.388 0.000 1.314 320 I HN 0.224 nan 8.210 nan 0.000 0.445 321 L N 6.679 127.870 121.223 -0.052 0.000 2.325 321 L HA 0.757 5.097 4.340 -0.000 0.000 0.281 321 L C -0.597 176.246 176.870 -0.045 0.000 1.004 321 L CA -0.119 54.707 54.840 -0.023 0.000 0.823 321 L CB 1.488 43.580 42.059 0.055 0.000 1.236 321 L HN 0.645 nan 8.230 nan 0.000 0.415 322 A N 3.475 126.225 122.820 -0.116 0.000 2.323 322 A HA 0.687 5.007 4.320 -0.000 0.000 0.305 322 A C -0.353 177.135 177.584 -0.160 0.000 1.275 322 A CA -0.298 51.597 52.037 -0.236 0.000 0.804 322 A CB 0.908 19.819 19.000 -0.147 0.000 1.152 322 A HN 0.689 nan 8.150 nan 0.000 0.487 323 T N 0.879 115.363 114.554 -0.117 0.000 2.924 323 T HA 0.864 5.214 4.350 -0.000 0.000 0.291 323 T C -0.253 174.525 174.700 0.130 0.000 1.045 323 T CA 0.321 62.456 62.100 0.059 0.000 1.015 323 T CB 1.480 70.434 68.868 0.143 0.000 1.103 323 T HN 1.895 nan 8.240 nan 0.000 0.496 324 A N 1.506 124.426 122.820 0.167 0.000 2.557 324 A HA 0.870 5.189 4.320 -0.000 0.000 0.292 324 A C -0.814 176.637 177.584 -0.222 0.000 1.139 324 A CA -0.571 51.425 52.037 -0.069 0.000 0.665 324 A CB 1.342 20.419 19.000 0.128 0.000 1.285 324 A HN 1.241 nan 8.150 nan 0.000 0.433 325 S N -1.277 114.128 115.700 -0.492 0.000 2.584 325 S HA 0.413 4.883 4.470 -0.000 0.000 0.280 325 S C -0.237 174.173 174.600 -0.317 0.000 1.162 325 S CA 0.029 57.997 58.200 -0.386 0.000 0.951 325 S CB 0.735 63.529 63.200 -0.677 0.000 1.108 325 S HN 2.096 nan 8.310 nan 0.000 0.464 326 C N 2.680 121.886 119.300 -0.158 0.000 2.778 326 C HA 0.641 5.101 4.460 -0.000 0.000 0.294 326 C C 0.939 175.879 174.990 -0.083 0.000 1.331 326 C CA -0.263 58.722 59.018 -0.056 0.000 1.741 326 C CB -1.740 26.003 27.740 0.006 0.000 2.106 326 C HN 0.724 nan 8.230 nan 0.000 0.603 327 S N 0.354 115.975 115.700 -0.132 0.000 2.475 327 S HA 0.316 4.786 4.470 -0.000 0.000 0.281 327 S C 1.276 175.758 174.600 -0.196 0.000 1.198 327 S CA -0.215 57.888 58.200 -0.162 0.000 1.063 327 S CB 0.237 63.476 63.200 0.065 0.000 0.972 327 S HN 0.615 nan 8.310 nan 0.000 0.486 328 H N 4.143 123.149 119.070 -0.106 0.000 2.352 328 H HA -0.059 4.497 4.556 -0.000 0.000 0.299 328 H C 0.674 175.914 175.328 -0.146 0.000 1.097 328 H CA 1.615 57.575 56.048 -0.148 0.000 1.311 328 H CB -0.842 28.771 29.762 -0.248 0.000 1.377 328 H HN 0.746 nan 8.280 nan 0.000 0.504 332 E N 0.732 120.998 120.200 0.110 0.000 2.049 332 E HA -0.071 4.279 4.350 -0.000 0.000 0.198 332 E C -0.982 175.825 176.600 0.346 0.000 1.007 332 E CA 1.974 58.509 56.400 0.224 0.000 0.809 332 E CB -0.935 28.969 29.700 0.339 0.000 0.749 332 E HN 0.552 nan 8.360 nan 0.000 0.450 333 P HA -0.176 nan 4.420 nan 0.000 0.215 333 P C 1.288 178.736 177.300 0.248 0.000 1.157 333 P CA 1.292 64.550 63.100 0.264 0.000 0.874 333 P CB -0.059 31.747 31.700 0.178 0.000 0.790 334 L N -2.526 118.828 121.223 0.218 0.000 2.012 334 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 334 L C 2.428 179.412 176.870 0.190 0.000 1.073 334 L CA 1.421 56.414 54.840 0.255 0.000 0.748 334 L CB -0.982 41.235 42.059 0.264 0.000 0.891 334 L HN -0.069 nan 8.230 nan 0.000 0.431 335 F N -0.146 119.755 119.950 -0.082 0.000 2.095 335 F HA -0.295 4.232 4.527 -0.000 0.000 0.298 335 F C 2.305 177.910 175.800 -0.325 0.000 1.104 335 F CA 1.608 59.413 58.000 -0.325 0.000 1.232 335 F CB -0.409 38.295 39.000 -0.493 0.000 0.987 335 F HN -0.046 nan 8.300 nan 0.000 0.475 336 Y N 0.374 120.698 120.300 0.040 0.000 2.373 336 Y HA 0.156 4.706 4.550 -0.000 0.000 0.293 336 Y C 1.906 177.760 175.900 -0.078 0.000 1.129 336 Y CA 0.210 58.288 58.100 -0.036 0.000 1.226 336 Y CB -1.334 37.195 38.460 0.115 0.000 1.000 336 Y HN 0.113 nan 8.280 nan 0.000 0.549 340 A N 0.547 123.236 122.820 -0.218 0.000 1.883 340 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 340 A C 1.868 179.392 177.584 -0.101 0.000 1.186 340 A CA 2.447 54.401 52.037 -0.139 0.000 0.624 340 A CB -0.459 18.514 19.000 -0.045 0.000 0.822 340 A HN 0.665 nan 8.150 nan 0.000 0.444 341 E N -0.427 119.735 120.200 -0.063 0.000 2.058 341 E HA -0.181 4.169 4.350 -0.000 0.000 0.194 341 E C 2.376 178.938 176.600 -0.063 0.000 0.997 341 E CA 1.018 57.405 56.400 -0.022 0.000 0.801 341 E CB -0.320 29.409 29.700 0.048 0.000 0.746 341 E HN 0.621 nan 8.360 nan 0.000 0.450 342 A N 1.565 124.311 122.820 -0.122 0.000 1.865 342 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 342 A C 2.430 179.936 177.584 -0.131 0.000 1.191 342 A CA 2.104 54.060 52.037 -0.135 0.000 0.623 342 A CB -0.879 18.011 19.000 -0.184 0.000 0.826 342 A HN 0.327 nan 8.150 nan 0.000 0.444 343 A N -0.961 121.759 122.820 -0.165 0.000 1.908 343 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 343 A C 2.139 179.682 177.584 -0.068 0.000 1.181 343 A CA 1.869 53.819 52.037 -0.146 0.000 0.627 343 A CB -0.638 18.239 19.000 -0.205 0.000 0.818 343 A HN 0.688 nan 8.150 nan 0.000 0.445 344 Q N -0.381 119.393 119.800 -0.044 0.000 2.020 344 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 344 Q C 1.571 177.616 176.000 0.075 0.000 0.982 344 Q CA 1.553 57.373 55.803 0.028 0.000 0.838 344 Q CB -0.276 28.476 28.738 0.022 0.000 0.899 344 Q HN 0.606 nan 8.270 nan 0.000 0.423 345 D N 0.262 120.657 120.400 -0.009 0.000 2.221 345 D HA -0.123 4.517 4.640 -0.000 0.000 0.204 345 D C 1.278 177.414 176.300 -0.273 0.000 0.982 345 D CA 1.234 55.185 54.000 -0.081 0.000 0.857 345 D CB -0.055 40.703 40.800 -0.070 0.000 0.934 345 D HN 0.268 nan 8.370 nan 0.000 0.475 346 A N 0.333 123.041 122.820 -0.187 0.000 2.251 346 A HA -0.043 4.277 4.320 -0.000 0.000 0.209 346 A C -0.111 177.382 177.584 -0.152 0.000 1.187 346 A CA -0.027 51.881 52.037 -0.214 0.000 0.823 346 A CB -0.495 18.431 19.000 -0.123 0.000 0.846 346 A HN 0.180 nan 8.150 nan 0.000 0.486 347 H N -0.124 118.924 119.070 -0.036 0.000 2.692 347 H HA -0.121 4.434 4.556 -0.000 0.000 0.316 347 H C -0.360 174.949 175.328 -0.033 0.000 1.176 347 H CA 1.146 57.176 56.048 -0.030 0.000 1.142 347 H CB -1.410 28.339 29.762 -0.021 0.000 1.475 347 H HN 0.534 nan 8.280 nan 0.000 0.423 348 R N 0.277 120.812 120.500 0.057 0.000 2.621 348 R HA 0.433 4.773 4.340 -0.000 0.000 0.292 348 R C -0.076 176.215 176.300 -0.016 0.000 0.969 348 R CA -1.374 54.733 56.100 0.011 0.000 0.887 348 R CB 2.238 32.527 30.300 -0.018 0.000 1.180 348 R HN 0.051 nan 8.270 nan 0.000 0.450 349 L N 3.705 124.922 121.223 -0.010 0.000 2.281 349 L HA 0.359 4.699 4.340 -0.000 0.000 0.285 349 L C -0.752 176.104 176.870 -0.023 0.000 1.074 349 L CA 0.084 54.914 54.840 -0.016 0.000 0.817 349 L CB 0.448 42.507 42.059 -0.001 0.000 1.168 349 L HN 0.440 nan 8.230 nan 0.000 0.434 350 L N 5.815 127.008 121.223 -0.049 0.000 2.296 350 L HA 0.541 4.881 4.340 -0.000 0.000 0.286 350 L C 0.031 176.936 176.870 0.058 0.000 1.023 350 L CA -0.671 54.148 54.840 -0.035 0.000 0.812 350 L CB 1.569 43.495 42.059 -0.223 0.000 1.223 350 L HN 0.602 nan 8.230 nan 0.000 0.421 351 R N 1.905 122.476 120.500 0.118 0.000 2.312 351 R HA 0.464 4.804 4.340 -0.000 0.000 0.311 351 R C -0.856 175.582 176.300 0.230 0.000 1.004 351 R CA -0.605 55.575 56.100 0.135 0.000 0.902 351 R CB 1.582 31.937 30.300 0.091 0.000 1.073 351 R HN 0.389 nan 8.270 nan 0.000 0.457 352 V N 5.745 125.787 119.914 0.214 0.000 2.521 352 V HA -0.014 4.106 4.120 -0.000 0.000 0.286 352 V C 1.010 177.130 176.094 0.043 0.000 1.034 352 V CA 0.115 62.508 62.300 0.154 0.000 1.045 352 V CB 1.407 33.278 31.823 0.080 0.000 0.974 352 V HN 0.735 nan 8.190 nan 0.000 0.480 353 V N 3.487 123.385 119.914 -0.027 0.000 2.949 353 V HA 0.221 4.341 4.120 -0.000 0.000 0.245 353 V C 0.561 176.669 176.094 0.022 0.000 1.086 353 V CA 0.878 63.203 62.300 0.042 0.000 1.097 353 V CB 0.080 31.966 31.823 0.105 0.000 0.762 353 V HN 1.012 nan 8.190 nan 0.000 0.470 354 E N -0.302 119.829 120.200 -0.115 0.000 2.745 354 E HA 0.221 4.571 4.350 -0.000 0.000 0.306 354 E C -1.497 174.957 176.600 -0.243 0.000 1.090 354 E CA -0.532 55.785 56.400 -0.139 0.000 0.893 354 E CB 1.025 30.659 29.700 -0.110 0.000 1.205 354 E HN 0.135 nan 8.360 nan 0.000 0.438 355 K N 3.911 124.207 120.400 -0.173 0.000 2.265 355 K HA 0.579 4.898 4.320 -0.000 0.000 0.267 355 K C -0.373 176.188 176.600 -0.065 0.000 0.994 355 K CA -0.672 55.551 56.287 -0.107 0.000 0.860 355 K CB 1.820 34.249 32.500 -0.119 0.000 1.099 355 K HN 0.408 nan 8.250 nan 0.000 0.448 356 R N 0.287 120.780 120.500 -0.011 0.000 2.905 356 R HA 0.616 4.956 4.340 -0.000 0.000 0.260 356 R C 0.056 176.398 176.300 0.071 0.000 1.086 356 R CA -0.823 55.292 56.100 0.025 0.000 0.978 356 R CB 1.930 32.267 30.300 0.062 0.000 1.215 356 R HN 0.761 nan 8.270 nan 0.000 0.480 357 G N -0.289 108.527 108.800 0.026 0.000 3.100 357 G HA2 0.204 4.164 3.960 -0.000 0.000 0.174 357 G HA3 0.204 4.164 3.960 -0.000 0.000 0.174 357 G C -1.202 173.642 174.900 -0.092 0.000 1.136 357 G CA -0.518 44.578 45.100 -0.006 0.000 0.881 357 G HN 0.382 nan 8.290 nan 0.000 0.616 358 Q N 0.837 120.561 119.800 -0.126 0.000 2.299 358 Q HA 0.411 4.750 4.340 -0.000 0.000 0.246 358 Q C -2.223 173.714 176.000 -0.105 0.000 0.935 358 Q CA -1.197 54.491 55.803 -0.191 0.000 0.887 358 Q CB 1.216 29.828 28.738 -0.211 0.000 1.223 358 Q HN 0.208 nan 8.270 nan 0.000 0.439 359 P HA 0.017 nan 4.420 nan 0.000 0.278 359 P C -0.100 177.234 177.300 0.057 0.000 1.266 359 P CA -0.477 62.633 63.100 0.016 0.000 0.807 359 P CB 0.337 32.048 31.700 0.019 0.000 1.094 360 F N 0.764 120.716 119.950 0.003 0.000 2.236 360 F HA -0.211 4.316 4.527 -0.000 0.000 0.302 360 F C 1.207 177.004 175.800 -0.006 0.000 1.073 360 F CA 1.608 59.604 58.000 -0.006 0.000 1.336 360 F CB -0.930 38.059 39.000 -0.019 0.000 1.040 360 F HN 0.166 nan 8.300 nan 0.000 0.507 361 D N -1.213 118.520 120.400 -1.111 0.000 2.349 361 D HA -0.112 4.528 4.640 -0.000 0.000 0.224 361 D C 0.168 176.088 176.300 -0.633 0.000 1.029 361 D CA 0.438 53.841 54.000 -0.994 0.000 0.879 361 D CB -1.192 39.062 40.800 -0.911 0.000 0.906 361 D HN 0.572 nan 8.370 nan 0.000 0.528 362 H N 0.541 119.314 119.070 -0.494 0.000 2.386 362 H HA 0.275 4.831 4.556 -0.000 0.000 0.232 362 H C -2.428 172.701 175.328 -0.331 0.000 1.416 362 H CA -1.638 53.950 56.048 -0.768 0.000 1.285 362 H CB 0.753 30.094 29.762 -0.701 0.000 1.625 362 H HN 0.060 nan 8.280 nan 0.000 0.521 363 P HA -0.146 nan 4.420 nan 0.000 0.265 363 P C -0.059 177.330 177.300 0.150 0.000 1.167 363 P CA 0.443 63.587 63.100 0.073 0.000 0.760 363 P CB 0.950 32.689 31.700 0.065 0.000 0.783 364 V N 5.125 125.081 119.914 0.070 0.000 2.495 364 V HA 0.333 4.453 4.120 -0.000 0.000 0.298 364 V C 0.157 176.257 176.094 0.010 0.000 1.031 364 V CA -0.575 61.760 62.300 0.057 0.000 0.871 364 V CB 1.569 33.386 31.823 -0.010 0.000 0.988 364 V HN 0.338 nan 8.190 nan 0.000 0.432 365 L N 4.696 125.921 121.223 0.003 0.000 2.296 365 L HA 0.337 4.677 4.340 -0.000 0.000 0.286 365 L C 0.967 177.828 176.870 -0.015 0.000 1.023 365 L CA -0.518 54.310 54.840 -0.020 0.000 0.812 365 L CB 1.661 43.690 42.059 -0.050 0.000 1.223 365 L HN 0.591 nan 8.230 nan 0.000 0.421 366 L N 3.888 125.093 121.223 -0.029 0.000 2.083 366 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 366 L C 1.698 178.559 176.870 -0.015 0.000 1.083 366 L CA 2.001 56.825 54.840 -0.027 0.000 0.752 366 L CB -0.380 41.659 42.059 -0.034 0.000 0.899 366 L HN 0.660 nan 8.230 nan 0.000 0.433 367 N N -1.802 116.882 118.700 -0.026 0.000 2.515 367 N HA -0.088 4.652 4.740 -0.000 0.000 0.185 367 N C 0.312 175.798 175.510 -0.041 0.000 1.109 367 N CA 0.596 53.629 53.050 -0.027 0.000 0.903 367 N CB -0.174 38.279 38.487 -0.058 0.000 0.969 367 N HN 0.337 nan 8.380 nan 0.000 0.450 368 H N -0.014 118.935 119.070 -0.200 0.000 2.423 368 H HA 0.214 4.770 4.556 -0.000 0.000 0.237 368 H C -1.952 173.245 175.328 -0.217 0.000 1.391 368 H CA -1.957 53.844 56.048 -0.412 0.000 1.453 368 H CB 1.187 30.603 29.762 -0.577 0.000 1.484 368 H HN -0.039 nan 8.280 nan 0.000 0.505 369 P HA -0.226 nan 4.420 nan 0.000 0.218 369 P C 1.013 178.386 177.300 0.121 0.000 1.154 369 P CA 1.427 64.572 63.100 0.074 0.000 0.872 369 P CB 0.480 32.227 31.700 0.080 0.000 0.790 370 E N -1.446 118.783 120.200 0.048 0.000 2.396 370 E HA -0.128 4.221 4.350 -0.000 0.000 0.200 370 E C 1.690 178.366 176.600 0.127 0.000 1.023 370 E CA 1.563 57.995 56.400 0.053 0.000 0.857 370 E CB -1.262 28.420 29.700 -0.031 0.000 0.775 370 E HN 0.460 nan 8.360 nan 0.000 0.525 371 T N -2.420 112.236 114.554 0.171 0.000 3.113 371 T HA -0.070 4.280 4.350 -0.000 0.000 0.256 371 T C 0.503 175.449 174.700 0.409 0.000 1.131 371 T CA 0.230 62.453 62.100 0.205 0.000 1.074 371 T CB -0.178 68.726 68.868 0.059 0.000 0.944 371 T HN 0.079 nan 8.240 nan 0.000 0.516 372 H N 0.973 120.183 119.070 0.233 0.000 2.597 372 H HA 0.433 4.989 4.556 -0.000 0.000 0.303 372 H C -0.113 175.356 175.328 0.235 0.000 1.057 372 H CA -2.045 54.089 56.048 0.144 0.000 1.261 372 H CB 0.375 30.179 29.762 0.070 0.000 1.397 372 H HN 0.422 nan 8.280 nan 0.000 0.461 373 Y N 3.120 123.380 120.300 -0.068 0.000 2.438 373 Y HA 0.259 4.809 4.550 -0.000 0.000 0.274 373 Y C -0.831 174.894 175.900 -0.292 0.000 1.085 373 Y CA -0.728 57.263 58.100 -0.183 0.000 1.199 373 Y CB 0.239 38.663 38.460 -0.060 0.000 1.317 373 Y HN 0.382 nan 8.280 nan 0.000 0.545 374 L N 3.094 123.821 121.223 -0.826 0.000 2.276 374 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 374 L C -1.230 175.422 176.870 -0.362 0.000 1.061 374 L CA -0.828 53.700 54.840 -0.520 0.000 0.807 374 L CB 0.997 42.726 42.059 -0.550 0.000 1.177 374 L HN 0.111 nan 8.230 nan 0.000 0.429 375 K N 5.551 125.716 120.400 -0.392 0.000 2.376 375 K HA 0.531 4.851 4.320 -0.000 0.000 0.257 375 K C -1.561 174.850 176.600 -0.315 0.000 0.939 375 K CA -0.091 55.954 56.287 -0.403 0.000 0.809 375 K CB 1.604 33.619 32.500 -0.807 0.000 1.121 375 K HN 0.412 nan 8.250 nan 0.000 0.425 376 F N 2.130 121.925 119.950 -0.258 0.000 2.536 376 F HA 0.716 5.243 4.527 -0.000 0.000 0.322 376 F C -1.263 174.492 175.800 -0.074 0.000 1.144 376 F CA -0.782 57.118 58.000 -0.167 0.000 0.924 376 F CB 1.307 40.238 39.000 -0.115 0.000 1.181 376 F HN 0.565 nan 8.300 nan 0.000 0.438 377 A N 5.233 127.714 122.820 -0.565 0.000 2.371 377 A HA 0.799 5.119 4.320 -0.000 0.000 0.311 377 A C -1.861 175.233 177.584 -0.816 0.000 1.068 377 A CA -0.705 51.002 52.037 -0.550 0.000 0.744 377 A CB 1.568 20.467 19.000 -0.168 0.000 1.239 377 A HN 0.537 nan 8.150 nan 0.000 0.435 378 V N 2.656 122.112 119.914 -0.763 0.000 2.384 378 V HA 0.564 4.684 4.120 -0.000 0.000 0.287 378 V C -0.884 174.899 176.094 -0.519 0.000 1.020 378 V CA -0.089 61.919 62.300 -0.487 0.000 0.850 378 V CB 0.406 32.165 31.823 -0.107 0.000 0.987 378 V HN 0.729 nan 8.190 nan 0.000 0.436 379 F N 2.384 122.291 119.950 -0.071 0.000 2.579 379 F HA 0.653 5.180 4.527 -0.000 0.000 0.324 379 F C 0.126 175.895 175.800 -0.052 0.000 1.058 379 F CA -0.767 57.208 58.000 -0.041 0.000 0.944 379 F CB 1.992 40.964 39.000 -0.046 0.000 1.245 379 F HN 0.378 nan 8.300 nan 0.000 0.477 380 Q N 1.359 121.272 119.800 0.189 0.000 2.330 380 Q HA 0.566 4.906 4.340 -0.000 0.000 0.269 380 Q C -1.828 174.216 176.000 0.074 0.000 1.022 380 Q CA -0.722 55.133 55.803 0.088 0.000 0.796 380 Q CB 2.015 30.796 28.738 0.072 0.000 1.271 380 Q HN 0.570 nan 8.270 nan 0.000 0.450 381 V N 6.210 126.149 119.914 0.041 0.000 2.405 381 V HA 0.184 4.304 4.120 -0.000 0.000 0.264 381 V C 0.405 176.513 176.094 0.023 0.000 1.048 381 V CA -0.133 62.179 62.300 0.020 0.000 0.966 381 V CB 0.105 31.932 31.823 0.007 0.000 1.015 381 V HN 0.781 nan 8.190 nan 0.000 0.477 382 L N 0.000 121.236 121.223 0.021 0.000 2.949 382 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 382 L CA 0.000 54.853 54.840 0.022 0.000 0.813 382 L CB 0.000 42.073 42.059 0.023 0.000 0.961 382 L HN 0.000 nan 8.230 nan 0.000 0.502