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 2r2n_1_B DATA FIRST_RESID 1 DATA SEQUENCE MNYARFITAA SAARNPSPIR TMTDILSRGP KSMISLAGGL PNPNMFPFKT DATA SEQUENCE AVITVENGKT IQFGEEMMKR ALQYSPSAGI PELLSWLKQL QIKLHNPPTI DATA SEQUENCE HYPPSQGQMD LCVTSGSQQG LCKVFEMIIN PGDNVLLDEP AYSGTLQSLH DATA SEQUENCE PLGCNIINVA SDESGIVPDS LRDILSRWKP EDAKNPQKNT PKFLYTVPNG DATA SEQUENCE NNPTGNSLTS ERKKEIYELA RKYDFLIIED DPYYFLQFNK FRVPTFLSMD DATA SEQUENCE VDGRVIRADS FSKIISSGLR IGFLTGPKPL IERVILHIQV STLHPSTFNQ DATA SEQUENCE LMISQLLHEW GEEGFMAHVD RVIDFYSNQK DAILAAADKW LTGLAEWHVP DATA SEQUENCE AAGMFLWIKV KGINDVKELI EEKAVKMGVL MLPGNAFYVD SSAPSPYLRA DATA SEQUENCE SFSSASPEQM DVAFQVLAQL IKESL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.081 176.300 -0.366 0.000 1.140 1 M CA 0.000 55.154 55.300 -0.242 0.000 0.988 1 M CB 0.000 32.456 32.600 -0.239 0.000 1.302 2 N N 0.520 119.077 118.700 -0.238 0.000 2.817 2 N HA 0.365 5.105 4.740 0.000 0.000 0.234 2 N C -0.544 174.947 175.510 -0.033 0.000 1.066 2 N CA -0.360 52.609 53.050 -0.135 0.000 0.926 2 N CB 0.443 38.870 38.487 -0.101 0.000 1.176 2 N HN 0.668 nan 8.380 nan 0.000 0.506 3 Y N 1.733 122.146 120.300 0.187 0.000 2.333 3 Y HA -0.165 4.385 4.550 0.000 0.000 0.290 3 Y C 2.473 178.489 175.900 0.193 0.000 1.144 3 Y CA 0.896 59.166 58.100 0.284 0.000 1.228 3 Y CB 0.149 38.720 38.460 0.185 0.000 0.985 3 Y HN 0.662 nan 8.280 nan 0.000 0.542 4 A N 0.628 123.565 122.820 0.195 0.000 1.978 4 A HA -0.244 4.076 4.320 0.000 0.000 0.220 4 A C 2.170 179.749 177.584 -0.008 0.000 1.170 4 A CA 1.548 53.639 52.037 0.089 0.000 0.636 4 A CB -0.562 18.461 19.000 0.040 0.000 0.810 4 A HN 0.429 nan 8.150 nan 0.000 0.448 5 R N -1.496 118.902 120.500 -0.170 0.000 2.117 5 R HA -0.153 4.188 4.340 0.000 0.000 0.243 5 R C 0.542 176.602 176.300 -0.401 0.000 1.143 5 R CA 1.693 57.531 56.100 -0.437 0.000 0.968 5 R CB -0.377 29.355 30.300 -0.946 0.000 0.863 5 R HN 0.631 nan 8.270 nan 0.000 0.444 6 F N 0.010 120.025 119.950 0.108 0.000 2.713 6 F HA 0.324 4.852 4.527 0.002 0.000 0.294 6 F C 0.177 176.048 175.800 0.118 0.000 1.152 6 F CA -0.107 57.973 58.000 0.132 0.000 1.385 6 F CB 0.327 39.433 39.000 0.178 0.000 0.981 6 F HN -0.163 nan 8.300 nan 0.000 0.514 7 I N -0.269 120.415 120.570 0.190 0.000 2.447 7 I HA 0.191 4.361 4.170 0.000 0.000 0.287 7 I C 0.402 176.569 176.117 0.083 0.000 1.023 7 I CA -0.482 60.902 61.300 0.140 0.000 1.083 7 I CB 1.795 39.869 38.000 0.124 0.000 1.245 7 I HN -0.131 nan 8.210 nan 0.000 0.434 8 T N 3.737 118.338 114.554 0.078 0.000 2.734 8 T HA 0.072 4.422 4.350 0.000 0.000 0.314 8 T C 1.295 176.010 174.700 0.026 0.000 1.057 8 T CA 0.505 62.634 62.100 0.048 0.000 1.047 8 T CB 1.144 70.041 68.868 0.049 0.000 0.991 8 T HN 0.766 nan 8.240 nan 0.000 0.540 9 A N 1.054 123.882 122.820 0.012 0.000 1.897 9 A HA 0.176 4.496 4.320 0.000 0.000 0.215 9 A C 2.546 180.127 177.584 -0.005 0.000 1.181 9 A CA 1.576 53.615 52.037 0.003 0.000 0.620 9 A CB -1.204 17.795 19.000 -0.001 0.000 0.821 9 A HN 0.898 nan 8.150 nan 0.000 0.443 10 A N -0.474 122.339 122.820 -0.011 0.000 1.873 10 A HA -0.204 4.117 4.320 0.000 0.000 0.218 10 A C 2.518 180.076 177.584 -0.042 0.000 1.193 10 A CA 2.492 54.509 52.037 -0.033 0.000 0.629 10 A CB -1.214 17.759 19.000 -0.044 0.000 0.826 10 A HN 0.577 nan 8.150 nan 0.000 0.447 11 S N -0.562 115.123 115.700 -0.025 0.000 2.353 11 S HA -0.089 4.381 4.470 0.000 0.000 0.222 11 S C 2.192 176.791 174.600 -0.001 0.000 1.035 11 S CA 1.778 59.968 58.200 -0.016 0.000 1.025 11 S CB -0.583 62.634 63.200 0.028 0.000 0.902 11 S HN 0.952 nan 8.310 nan 0.000 0.440 12 A N 0.942 123.769 122.820 0.012 0.000 2.024 12 A HA 0.142 4.462 4.320 0.000 0.000 0.220 12 A C 2.303 179.889 177.584 0.005 0.000 1.164 12 A CA 1.837 53.884 52.037 0.016 0.000 0.643 12 A CB -1.069 17.944 19.000 0.021 0.000 0.806 12 A HN 0.770 nan 8.150 nan 0.000 0.451 13 A N -0.442 122.374 122.820 -0.007 0.000 2.119 13 A HA 0.068 4.388 4.320 0.000 0.000 0.216 13 A C 1.342 178.917 177.584 -0.015 0.000 1.152 13 A CA -0.085 51.945 52.037 -0.011 0.000 0.708 13 A CB -0.188 18.802 19.000 -0.017 0.000 0.805 13 A HN 0.539 nan 8.150 nan 0.000 0.460 14 R N 1.179 121.666 120.500 -0.021 0.000 2.623 14 R HA 0.137 4.477 4.340 0.000 0.000 0.271 14 R C -0.921 175.375 176.300 -0.007 0.000 1.043 14 R CA 0.053 56.140 56.100 -0.022 0.000 1.083 14 R CB 0.125 30.409 30.300 -0.027 0.000 0.974 14 R HN 0.335 nan 8.270 nan 0.000 0.436 15 N N 2.741 121.438 118.700 -0.006 0.000 2.361 15 N HA 0.204 4.944 4.740 0.000 0.000 0.302 15 N C -1.590 173.921 175.510 0.002 0.000 1.074 15 N CA -1.601 51.448 53.050 -0.001 0.000 0.850 15 N CB 1.635 40.120 38.487 -0.003 0.000 1.228 15 N HN 0.348 nan 8.380 nan 0.000 0.491 16 P HA -0.110 nan 4.420 nan 0.000 0.215 16 P C 0.822 178.122 177.300 0.001 0.000 1.157 16 P CA 1.049 64.151 63.100 0.004 0.000 0.863 16 P CB 0.138 31.841 31.700 0.005 0.000 0.787 17 S N 1.893 117.593 115.700 -0.001 0.000 2.782 17 S HA -0.018 4.452 4.470 0.000 0.000 0.237 17 S C -1.028 173.568 174.600 -0.006 0.000 1.491 17 S CA 0.467 58.665 58.200 -0.003 0.000 1.304 17 S CB -2.269 60.930 63.200 -0.002 0.000 0.598 17 S HN 0.158 nan 8.310 nan 0.000 0.401 18 P HA 0.516 nan 4.420 nan 0.000 0.280 18 P C 0.465 177.761 177.300 -0.007 0.000 1.431 18 P CA -0.000 63.096 63.100 -0.006 0.000 1.058 18 P CB 0.100 31.797 31.700 -0.005 0.000 1.521 19 I N -0.648 119.916 120.570 -0.010 0.000 3.570 19 I HA 0.164 4.334 4.170 0.000 0.000 0.270 19 I C 1.446 177.556 176.117 -0.011 0.000 1.162 19 I CA -0.107 61.186 61.300 -0.012 0.000 1.413 19 I CB 0.408 38.398 38.000 -0.018 0.000 1.437 19 I HN -0.285 nan 8.210 nan 0.000 0.457 20 R N 1.391 121.883 120.500 -0.014 0.000 2.788 20 R HA 0.055 4.396 4.340 0.000 0.000 0.264 20 R C 1.381 177.676 176.300 -0.008 0.000 1.267 20 R CA 0.462 56.554 56.100 -0.013 0.000 1.213 20 R CB -0.314 29.974 30.300 -0.019 0.000 1.256 20 R HN 0.430 nan 8.270 nan 0.000 0.556 21 T N -2.752 111.798 114.554 -0.006 0.000 3.088 21 T HA 0.021 4.371 4.350 0.000 0.000 0.259 21 T C 1.813 176.510 174.700 -0.004 0.000 1.122 21 T CA 0.259 62.356 62.100 -0.004 0.000 1.095 21 T CB 0.131 68.998 68.868 -0.002 0.000 0.930 21 T HN 0.012 nan 8.240 nan 0.000 0.508 22 M N 1.513 121.110 119.600 -0.005 0.000 2.193 22 M HA 0.059 4.539 4.480 0.000 0.000 0.265 22 M C 2.677 178.974 176.300 -0.004 0.000 1.071 22 M CA 1.430 56.727 55.300 -0.004 0.000 1.140 22 M CB -1.596 31.001 32.600 -0.004 0.000 1.369 22 M HN 0.407 nan 8.290 nan 0.000 0.423 23 T N 0.395 114.946 114.554 -0.006 0.000 2.867 23 T HA -0.161 4.189 4.350 0.000 0.000 0.268 23 T C 1.583 176.280 174.700 -0.006 0.000 1.057 23 T CA 1.508 63.605 62.100 -0.006 0.000 1.136 23 T CB -0.202 68.662 68.868 -0.007 0.000 0.874 23 T HN 0.286 nan 8.240 nan 0.000 0.466 24 D N 0.561 120.957 120.400 -0.005 0.000 2.137 24 D HA -0.141 4.499 4.640 0.000 0.000 0.189 24 D C 2.048 178.345 176.300 -0.004 0.000 0.998 24 D CA 1.523 55.520 54.000 -0.004 0.000 0.839 24 D CB -0.349 40.449 40.800 -0.003 0.000 0.962 24 D HN 0.467 nan 8.370 nan 0.000 0.446 25 I N 0.378 120.946 120.570 -0.003 0.000 2.394 25 I HA -0.185 3.986 4.170 0.000 0.000 0.251 25 I C 2.306 178.421 176.117 -0.004 0.000 1.136 25 I CA 0.569 61.868 61.300 -0.003 0.000 1.425 25 I CB -0.211 37.788 38.000 -0.002 0.000 1.079 25 I HN 0.043 nan 8.210 nan 0.000 0.425 26 L N -0.074 121.146 121.223 -0.004 0.000 2.012 26 L HA -0.219 4.121 4.340 0.000 0.000 0.210 26 L C 2.595 179.462 176.870 -0.006 0.000 1.073 26 L CA 2.203 57.040 54.840 -0.005 0.000 0.748 26 L CB -0.912 41.145 42.059 -0.004 0.000 0.891 26 L HN 0.255 nan 8.230 nan 0.000 0.431 27 S N 0.412 116.109 115.700 -0.007 0.000 2.359 27 S HA -0.238 4.233 4.470 0.000 0.000 0.223 27 S C 1.638 176.234 174.600 -0.007 0.000 1.039 27 S CA 1.923 60.118 58.200 -0.008 0.000 1.042 27 S CB -0.572 62.623 63.200 -0.009 0.000 0.915 27 S HN 0.629 nan 8.310 nan 0.000 0.439 28 R N 1.574 122.070 120.500 -0.006 0.000 2.356 28 R HA 0.340 4.680 4.340 0.000 0.000 0.234 28 R C 0.838 177.135 176.300 -0.004 0.000 0.929 28 R CA 0.099 56.196 56.100 -0.005 0.000 1.084 28 R CB -0.218 30.080 30.300 -0.004 0.000 1.105 28 R HN 0.269 nan 8.270 nan 0.000 0.515 29 G N 1.767 110.564 108.800 -0.005 0.000 2.552 29 G HA2 0.502 4.462 3.960 0.000 0.000 0.318 29 G HA3 0.502 4.462 3.960 0.000 0.000 0.318 29 G C -2.460 172.437 174.900 -0.005 0.000 1.240 29 G CA -1.493 43.604 45.100 -0.004 0.000 1.002 29 G HN -0.002 nan 8.290 nan 0.000 0.493 30 P HA 0.339 nan 4.420 nan 0.000 0.274 30 P C 0.302 177.598 177.300 -0.006 0.000 1.246 30 P CA -0.518 62.579 63.100 -0.005 0.000 0.795 30 P CB 1.058 32.755 31.700 -0.004 0.000 1.006 31 K N 0.154 120.551 120.400 -0.006 0.000 2.283 31 K HA -0.088 4.232 4.320 0.000 0.000 0.202 31 K C 1.765 178.361 176.600 -0.007 0.000 1.048 31 K CA 1.430 57.713 56.287 -0.007 0.000 0.948 31 K CB -0.395 32.101 32.500 -0.008 0.000 0.742 31 K HN 0.513 nan 8.250 nan 0.000 0.458 32 S N -0.064 115.633 115.700 -0.006 0.000 2.561 32 S HA -0.011 4.459 4.470 0.000 0.000 0.225 32 S C 0.814 175.411 174.600 -0.005 0.000 0.977 32 S CA -0.194 58.003 58.200 -0.005 0.000 0.926 32 S CB -0.349 62.848 63.200 -0.005 0.000 0.769 32 S HN 0.246 nan 8.310 nan 0.000 0.533 33 M N 2.065 121.662 119.600 -0.005 0.000 2.252 33 M HA 0.314 4.794 4.480 0.000 0.000 0.348 33 M C -1.182 175.115 176.300 -0.005 0.000 1.334 33 M CA 0.279 55.577 55.300 -0.004 0.000 1.071 33 M CB 0.178 32.775 32.600 -0.004 0.000 1.763 33 M HN 0.221 nan 8.290 nan 0.000 0.452 34 I N 4.032 124.599 120.570 -0.004 0.000 2.339 34 I HA 0.258 4.429 4.170 0.000 0.000 0.290 34 I C -0.323 175.792 176.117 -0.003 0.000 0.994 34 I CA -0.344 60.954 61.300 -0.004 0.000 1.191 34 I CB 1.805 39.802 38.000 -0.004 0.000 1.343 34 I HN 0.603 nan 8.210 nan 0.000 0.458 35 S N 6.600 122.298 115.700 -0.002 0.000 2.478 35 S HA 0.600 5.070 4.470 0.000 0.000 0.312 35 S C 0.152 174.753 174.600 0.000 0.000 1.094 35 S CA -0.591 57.608 58.200 -0.001 0.000 1.081 35 S CB 0.855 64.055 63.200 -0.000 0.000 1.007 35 S HN 0.595 nan 8.310 nan 0.000 0.475 36 L N 3.946 125.170 121.223 0.001 0.000 3.014 36 L HA 0.405 4.746 4.340 0.000 0.000 0.263 36 L C 1.636 178.509 176.870 0.004 0.000 1.207 36 L CA -0.148 54.694 54.840 0.003 0.000 1.017 36 L CB 0.011 42.071 42.059 0.002 0.000 1.360 36 L HN 0.729 nan 8.230 nan 0.000 0.560 37 A N 0.135 122.957 122.820 0.003 0.000 2.147 37 A HA 0.395 4.715 4.320 0.000 0.000 0.211 37 A C 1.276 178.862 177.584 0.004 0.000 1.160 37 A CA 0.550 52.589 52.037 0.003 0.000 0.781 37 A CB -0.102 18.898 19.000 0.000 0.000 0.842 37 A HN 0.333 nan 8.150 nan 0.000 0.475 38 G N -1.838 106.967 108.800 0.008 0.000 2.477 38 G HA2 0.434 4.395 3.960 0.000 0.000 0.304 38 G HA3 0.434 4.395 3.960 0.000 0.000 0.304 38 G C 0.576 175.489 174.900 0.021 0.000 1.175 38 G CA 0.073 45.180 45.100 0.011 0.000 0.907 38 G HN 0.522 nan 8.290 nan 0.000 0.509 39 G N -0.344 108.470 108.800 0.024 0.000 3.690 39 G HA2 0.337 4.297 3.960 0.000 0.000 0.283 39 G HA3 0.337 4.297 3.960 0.000 0.000 0.283 39 G C 0.427 175.396 174.900 0.115 0.000 1.057 39 G CA -0.434 44.693 45.100 0.044 0.000 0.821 39 G HN 0.422 nan 8.290 nan 0.000 0.526 40 L N 2.679 123.982 121.223 0.134 0.000 2.410 40 L HA 0.253 4.594 4.340 0.000 0.000 0.273 40 L C -1.401 175.566 176.870 0.162 0.000 1.144 40 L CA -1.433 53.541 54.840 0.224 0.000 0.863 40 L CB 0.701 42.856 42.059 0.160 0.000 1.140 40 L HN 0.086 nan 8.230 nan 0.000 0.463 41 P HA 0.043 nan 4.420 nan 0.000 0.274 41 P C -0.802 176.466 177.300 -0.054 0.000 1.237 41 P CA -0.564 62.587 63.100 0.085 0.000 0.793 41 P CB 0.567 32.367 31.700 0.166 0.000 0.977 42 N N 1.989 120.599 118.700 -0.149 0.000 2.427 42 N HA 0.022 4.762 4.740 0.000 0.000 0.269 42 N C -1.150 174.033 175.510 -0.544 0.000 1.235 42 N CA -1.160 51.750 53.050 -0.233 0.000 0.934 42 N CB 0.435 38.817 38.487 -0.175 0.000 1.121 42 N HN 0.260 nan 8.380 nan 0.000 0.480 43 P HA -0.082 nan 4.420 nan 0.000 0.229 43 P C 0.176 177.169 177.300 -0.513 0.000 1.160 43 P CA 0.826 63.525 63.100 -0.667 0.000 0.777 43 P CB 0.313 31.929 31.700 -0.141 0.000 0.814 44 N N -0.300 118.209 118.700 -0.318 0.000 2.364 44 N HA -0.037 4.703 4.740 0.000 0.000 0.183 44 N C 1.587 176.988 175.510 -0.181 0.000 1.022 44 N CA 0.970 53.912 53.050 -0.179 0.000 0.883 44 N CB -0.337 38.081 38.487 -0.116 0.000 0.965 44 N HN 0.161 nan 8.380 nan 0.000 0.438 45 M N -0.122 119.293 119.600 -0.308 0.000 2.394 45 M HA 0.055 4.535 4.480 0.000 0.000 0.264 45 M C 0.332 176.612 176.300 -0.033 0.000 1.073 45 M CA 0.299 55.486 55.300 -0.189 0.000 1.111 45 M CB -0.773 31.703 32.600 -0.206 0.000 1.401 45 M HN -0.046 nan 8.290 nan 0.000 0.448 46 F N 2.163 122.100 119.950 -0.021 0.000 2.484 46 F HA 0.081 4.608 4.527 0.000 0.000 0.360 46 F C -0.921 174.830 175.800 -0.082 0.000 1.101 46 F CA -1.836 56.145 58.000 -0.032 0.000 1.251 46 F CB 0.268 39.296 39.000 0.046 0.000 1.132 46 F HN 0.029 nan 8.300 nan 0.000 0.570 47 P HA -0.090 nan 4.420 nan 0.000 0.224 47 P C -0.076 177.067 177.300 -0.262 0.000 1.157 47 P CA 0.805 63.755 63.100 -0.250 0.000 0.799 47 P CB 0.073 31.514 31.700 -0.432 0.000 0.809 48 F N 0.787 120.792 119.950 0.092 0.000 2.495 48 F HA 0.169 4.696 4.527 0.000 0.000 0.365 48 F C 1.838 177.715 175.800 0.128 0.000 1.090 48 F CA -0.155 57.901 58.000 0.093 0.000 1.235 48 F CB 0.416 39.468 39.000 0.086 0.000 1.119 48 F HN -0.289 nan 8.300 nan 0.000 0.562 49 K N 0.600 121.164 120.400 0.273 0.000 2.367 49 K HA 0.164 4.484 4.320 0.000 0.000 0.198 49 K C 0.471 177.182 176.600 0.185 0.000 1.132 49 K CA 0.688 57.087 56.287 0.187 0.000 0.941 49 K CB 0.517 33.084 32.500 0.112 0.000 1.052 49 K HN 0.757 nan 8.250 nan 0.000 0.507 50 T N -1.869 112.800 114.554 0.193 0.000 2.821 50 T HA 0.789 5.139 4.350 0.000 0.000 0.306 50 T C -1.501 173.298 174.700 0.166 0.000 1.313 50 T CA -0.915 61.287 62.100 0.170 0.000 1.012 50 T CB 2.324 71.254 68.868 0.103 0.000 1.298 50 T HN 0.062 nan 8.240 nan 0.000 0.502 51 A N 1.012 123.898 122.820 0.110 0.000 2.449 51 A HA 0.792 5.112 4.320 0.000 0.000 0.302 51 A C -1.171 176.332 177.584 -0.135 0.000 1.048 51 A CA -0.802 51.225 52.037 -0.016 0.000 0.708 51 A CB 1.961 20.901 19.000 -0.099 0.000 1.274 51 A HN 1.078 nan 8.150 nan 0.000 0.410 52 V N 2.986 122.827 119.914 -0.123 0.000 2.483 52 V HA 0.504 4.624 4.120 0.000 0.000 0.297 52 V C -0.746 175.251 176.094 -0.162 0.000 1.027 52 V CA -0.099 62.117 62.300 -0.139 0.000 0.855 52 V CB 1.249 33.029 31.823 -0.073 0.000 0.995 52 V HN 0.718 nan 8.190 nan 0.000 0.424 53 I N 4.294 124.736 120.570 -0.214 0.000 2.439 53 I HA 0.366 4.537 4.170 0.000 0.000 0.285 53 I C 0.500 176.521 176.117 -0.161 0.000 1.021 53 I CA -0.389 60.795 61.300 -0.193 0.000 1.091 53 I CB 2.428 40.272 38.000 -0.260 0.000 1.242 53 I HN 0.706 nan 8.210 nan 0.000 0.439 54 T N 3.278 117.762 114.554 -0.116 0.000 2.913 54 T HA 0.605 4.955 4.350 0.000 0.000 0.297 54 T C -0.256 174.381 174.700 -0.104 0.000 1.029 54 T CA -0.534 61.509 62.100 -0.095 0.000 1.104 54 T CB 1.603 70.433 68.868 -0.063 0.000 0.964 54 T HN 0.222 nan 8.240 nan 0.000 0.532 55 V N 2.357 122.214 119.914 -0.096 0.000 2.588 55 V HA 0.416 4.536 4.120 0.000 0.000 0.304 55 V C 0.084 176.162 176.094 -0.027 0.000 1.042 55 V CA -1.005 61.235 62.300 -0.100 0.000 0.877 55 V CB 1.674 33.392 31.823 -0.174 0.000 0.996 55 V HN 1.075 nan 8.190 nan 0.000 0.425 56 E N 3.560 123.765 120.200 0.009 0.000 2.289 56 E HA 0.268 4.618 4.350 0.000 0.000 0.278 56 E C 0.141 176.822 176.600 0.135 0.000 1.032 56 E CA -0.014 56.419 56.400 0.055 0.000 0.854 56 E CB 0.218 29.950 29.700 0.053 0.000 1.046 56 E HN 0.719 nan 8.360 nan 0.000 0.409 57 N N 1.766 120.538 118.700 0.120 0.000 2.758 57 N HA -0.174 4.566 4.740 0.000 0.000 0.248 57 N C -0.938 174.739 175.510 0.280 0.000 1.076 57 N CA 1.210 54.357 53.050 0.161 0.000 0.696 57 N CB -0.827 37.749 38.487 0.148 0.000 0.979 57 N HN 0.637 nan 8.380 nan 0.000 0.550 58 G N -0.739 108.160 108.800 0.165 0.000 2.547 58 G HA2 0.479 4.439 3.960 0.000 0.000 0.291 58 G HA3 0.479 4.439 3.960 0.000 0.000 0.291 58 G C -1.386 173.522 174.900 0.013 0.000 1.471 58 G CA -0.749 44.422 45.100 0.117 0.000 0.798 58 G HN 0.323 nan 8.290 nan 0.000 0.504 59 K N -0.757 119.628 120.400 -0.026 0.000 2.110 59 K HA 0.682 5.002 4.320 0.000 0.000 0.263 59 K C 0.551 177.098 176.600 -0.088 0.000 0.975 59 K CA -0.215 56.048 56.287 -0.040 0.000 0.895 59 K CB 1.539 34.025 32.500 -0.022 0.000 1.060 59 K HN 0.700 nan 8.250 nan 0.000 0.448 60 T N 1.951 116.459 114.554 -0.076 0.000 2.919 60 T HA 0.221 4.571 4.350 0.000 0.000 0.302 60 T C 0.280 174.906 174.700 -0.123 0.000 1.031 60 T CA -0.615 61.424 62.100 -0.103 0.000 1.127 60 T CB -0.018 68.800 68.868 -0.083 0.000 0.952 60 T HN 0.511 nan 8.240 nan 0.000 0.540 61 I N 3.773 124.239 120.570 -0.174 0.000 2.352 61 I HA 0.234 4.405 4.170 0.000 0.000 0.290 61 I C 0.697 176.677 176.117 -0.229 0.000 1.036 61 I CA -0.312 60.866 61.300 -0.204 0.000 1.336 61 I CB 0.818 38.649 38.000 -0.282 0.000 1.407 61 I HN 0.583 nan 8.210 nan 0.000 0.497 62 Q N 7.001 126.731 119.800 -0.117 0.000 2.325 62 Q HA 0.466 4.806 4.340 0.000 0.000 0.270 62 Q C -1.166 174.912 176.000 0.130 0.000 1.020 62 Q CA -0.410 55.355 55.803 -0.063 0.000 0.785 62 Q CB 2.554 31.279 28.738 -0.022 0.000 1.259 62 Q HN 0.572 nan 8.270 nan 0.000 0.452 63 F N 1.371 121.257 119.950 -0.106 0.000 2.313 63 F HA 0.356 4.883 4.527 0.000 0.000 0.369 63 F C 1.172 176.940 175.800 -0.053 0.000 1.109 63 F CA -0.995 56.937 58.000 -0.114 0.000 1.132 63 F CB 1.188 40.087 39.000 -0.169 0.000 1.291 63 F HN 0.632 nan 8.300 nan 0.000 0.496 64 G N 2.274 111.152 108.800 0.131 0.000 2.570 64 G HA2 0.030 3.990 3.960 0.000 0.000 0.276 64 G HA3 0.030 3.990 3.960 0.000 0.000 0.276 64 G C 0.860 175.803 174.900 0.072 0.000 1.346 64 G CA -0.355 44.791 45.100 0.078 0.000 1.034 64 G HN 0.632 nan 8.290 nan 0.000 0.512 65 E N -0.408 119.823 120.200 0.053 0.000 2.085 65 E HA -0.171 4.179 4.350 0.000 0.000 0.194 65 E C 2.056 178.676 176.600 0.033 0.000 0.994 65 E CA 1.429 57.861 56.400 0.053 0.000 0.801 65 E CB -0.032 29.691 29.700 0.038 0.000 0.743 65 E HN 0.550 nan 8.360 nan 0.000 0.453 66 E N 0.777 120.981 120.200 0.006 0.000 2.072 66 E HA -0.109 4.241 4.350 0.000 0.000 0.190 66 E C 1.925 178.494 176.600 -0.052 0.000 0.982 66 E CA 0.723 57.112 56.400 -0.018 0.000 0.803 66 E CB -0.128 29.556 29.700 -0.026 0.000 0.755 66 E HN 0.084 nan 8.360 nan 0.000 0.453 67 M N -0.436 119.114 119.600 -0.082 0.000 2.175 67 M HA -0.036 4.444 4.480 0.000 0.000 0.264 67 M C 2.003 178.145 176.300 -0.265 0.000 1.063 67 M CA 1.348 56.522 55.300 -0.210 0.000 1.119 67 M CB -0.247 32.199 32.600 -0.257 0.000 1.377 67 M HN 0.267 nan 8.290 nan 0.000 0.415 68 M N 0.171 119.724 119.600 -0.078 0.000 2.086 68 M HA -0.164 4.317 4.480 0.000 0.000 0.261 68 M C 1.804 178.156 176.300 0.087 0.000 1.067 68 M CA 1.996 57.327 55.300 0.051 0.000 1.116 68 M CB -0.439 32.288 32.600 0.211 0.000 1.348 68 M HN 0.204 nan 8.290 nan 0.000 0.407 69 K N -0.596 119.851 120.400 0.078 0.000 2.127 69 K HA -0.237 4.083 4.320 0.000 0.000 0.208 69 K C 2.285 178.924 176.600 0.065 0.000 1.047 69 K CA 1.972 58.318 56.287 0.097 0.000 0.927 69 K CB -0.372 32.155 32.500 0.046 0.000 0.716 69 K HN 0.411 nan 8.250 nan 0.000 0.450 70 R N 0.445 120.929 120.500 -0.026 0.000 2.075 70 R HA -0.088 4.252 4.340 0.000 0.000 0.232 70 R C 2.181 178.441 176.300 -0.066 0.000 1.126 70 R CA 1.346 57.409 56.100 -0.063 0.000 0.963 70 R CB -0.210 30.009 30.300 -0.135 0.000 0.858 70 R HN 0.205 nan 8.270 nan 0.000 0.435 71 A N 0.821 123.562 122.820 -0.131 0.000 2.019 71 A HA -0.081 4.239 4.320 0.000 0.000 0.219 71 A C 1.954 179.623 177.584 0.141 0.000 1.164 71 A CA 1.043 53.027 52.037 -0.088 0.000 0.644 71 A CB -0.284 18.535 19.000 -0.303 0.000 0.805 71 A HN 0.360 nan 8.150 nan 0.000 0.449 72 L N -1.161 120.163 121.223 0.169 0.000 2.592 72 L HA 0.126 4.466 4.340 0.000 0.000 0.227 72 L C 0.895 177.828 176.870 0.104 0.000 1.127 72 L CA -0.128 54.804 54.840 0.153 0.000 0.884 72 L CB -0.067 42.156 42.059 0.273 0.000 1.065 72 L HN 0.393 nan 8.230 nan 0.000 0.457 73 Q N -0.534 119.340 119.800 0.123 0.000 2.248 73 Q HA 0.281 4.621 4.340 0.000 0.000 0.263 73 Q C -0.883 175.150 176.000 0.056 0.000 1.007 73 Q CA -0.674 55.198 55.803 0.115 0.000 0.877 73 Q CB 0.920 29.737 28.738 0.131 0.000 1.315 73 Q HN -0.000 nan 8.270 nan 0.000 0.454 74 Y N 0.711 121.083 120.300 0.121 0.000 2.890 74 Y HA 0.179 4.729 4.550 0.000 0.000 0.341 74 Y C 0.776 176.535 175.900 -0.235 0.000 1.269 74 Y CA 1.083 59.199 58.100 0.027 0.000 1.517 74 Y CB 0.370 38.891 38.460 0.102 0.000 1.314 74 Y HN 0.661 nan 8.280 nan 0.000 0.622 75 S N 1.545 116.938 115.700 -0.511 0.000 2.685 75 S HA 0.741 5.211 4.470 0.000 0.000 0.282 75 S C -3.105 171.292 174.600 -0.337 0.000 1.159 75 S CA -1.974 56.003 58.200 -0.372 0.000 0.833 75 S CB 1.910 64.916 63.200 -0.323 0.000 1.151 75 S HN 0.240 nan 8.310 nan 0.000 0.485 76 P HA 0.313 nan 4.420 nan 0.000 0.269 76 P C 0.477 177.782 177.300 0.010 0.000 1.209 76 P CA -0.164 62.903 63.100 -0.055 0.000 0.776 76 P CB 0.381 32.062 31.700 -0.032 0.000 0.876 77 S N 1.768 117.498 115.700 0.050 0.000 2.383 77 S HA -0.183 4.287 4.470 0.000 0.000 0.229 77 S C 1.789 176.436 174.600 0.079 0.000 1.030 77 S CA 1.707 59.964 58.200 0.094 0.000 1.002 77 S CB -0.696 62.542 63.200 0.064 0.000 0.829 77 S HN 0.635 nan 8.310 nan 0.000 0.467 78 A N 0.359 123.207 122.820 0.046 0.000 2.169 78 A HA 0.539 4.859 4.320 0.000 0.000 0.212 78 A C 1.032 178.641 177.584 0.042 0.000 1.153 78 A CA 0.783 52.843 52.037 0.038 0.000 0.756 78 A CB -0.376 18.637 19.000 0.022 0.000 0.813 78 A HN 0.775 nan 8.150 nan 0.000 0.471 79 G N -0.850 107.975 108.800 0.042 0.000 2.340 79 G HA2 0.247 4.207 3.960 0.000 0.000 0.527 79 G HA3 0.247 4.207 3.960 0.000 0.000 0.527 79 G C -0.273 174.630 174.900 0.006 0.000 1.381 79 G CA -0.548 44.574 45.100 0.037 0.000 1.001 79 G HN 1.110 nan 8.290 nan 0.000 0.626 80 I N -0.588 119.979 120.570 -0.004 0.000 2.692 80 I HA 0.397 4.567 4.170 0.000 0.000 0.284 80 I C -0.748 175.362 176.117 -0.012 0.000 1.159 80 I CA -1.473 59.810 61.300 -0.028 0.000 1.423 80 I CB 1.073 39.043 38.000 -0.051 0.000 1.380 80 I HN 0.345 nan 8.210 nan 0.000 0.580 81 P HA -0.207 nan 4.420 nan 0.000 0.218 81 P C 1.037 178.352 177.300 0.024 0.000 1.149 81 P CA 1.488 64.588 63.100 -0.000 0.000 0.817 81 P CB -0.124 31.569 31.700 -0.011 0.000 0.785 82 E N 0.168 120.374 120.200 0.011 0.000 2.208 82 E HA -0.103 4.248 4.350 0.000 0.000 0.193 82 E C 2.196 178.917 176.600 0.202 0.000 0.988 82 E CA 0.546 56.986 56.400 0.065 0.000 0.828 82 E CB -1.193 28.453 29.700 -0.090 0.000 0.763 82 E HN 0.290 nan 8.360 nan 0.000 0.478 83 L N 0.078 121.367 121.223 0.109 0.000 2.095 83 L HA -0.095 4.246 4.340 0.000 0.000 0.204 83 L C 2.349 179.270 176.870 0.086 0.000 1.080 83 L CA 0.496 55.400 54.840 0.107 0.000 0.759 83 L CB -0.135 41.944 42.059 0.033 0.000 0.914 83 L HN 0.114 nan 8.230 nan 0.000 0.439 84 L N 0.074 121.325 121.223 0.046 0.000 2.012 84 L HA -0.231 4.109 4.340 0.000 0.000 0.210 84 L C 3.014 179.900 176.870 0.028 0.000 1.073 84 L CA 2.349 57.198 54.840 0.015 0.000 0.748 84 L CB -1.483 40.584 42.059 0.013 0.000 0.891 84 L HN 0.435 nan 8.230 nan 0.000 0.431 85 S N -2.190 113.549 115.700 0.065 0.000 2.368 85 S HA -0.266 4.204 4.470 0.000 0.000 0.224 85 S C 1.939 176.565 174.600 0.043 0.000 1.029 85 S CA 0.963 59.193 58.200 0.051 0.000 0.988 85 S CB -1.230 62.012 63.200 0.070 0.000 0.838 85 S HN 0.502 nan 8.310 nan 0.000 0.462 86 W N 1.491 122.760 121.300 -0.051 0.000 2.318 86 W HA -0.084 4.576 4.660 0.000 0.000 0.313 86 W C 1.961 178.364 176.519 -0.193 0.000 1.221 86 W CA 1.170 58.422 57.345 -0.155 0.000 1.266 86 W CB -0.413 28.897 29.460 -0.250 0.000 1.150 86 W HN 0.230 nan 8.180 nan 0.000 0.496 87 L N 0.818 122.105 121.223 0.107 0.000 2.046 87 L HA -0.184 4.156 4.340 0.000 0.000 0.208 87 L C 2.227 179.005 176.870 -0.154 0.000 1.077 87 L CA 1.887 56.650 54.840 -0.129 0.000 0.747 87 L CB -1.536 40.278 42.059 -0.409 0.000 0.896 87 L HN 0.005 nan 8.230 nan 0.000 0.432 88 K N -1.155 119.182 120.400 -0.106 0.000 2.057 88 K HA -0.225 4.095 4.320 0.000 0.000 0.207 88 K C 2.108 178.634 176.600 -0.124 0.000 1.049 88 K CA 1.144 57.381 56.287 -0.083 0.000 0.931 88 K CB -0.108 32.358 32.500 -0.056 0.000 0.714 88 K HN 0.131 nan 8.250 nan 0.000 0.440 89 Q N 1.403 121.089 119.800 -0.190 0.000 2.084 89 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 89 Q C 1.928 177.745 176.000 -0.305 0.000 0.978 89 Q CA 1.242 56.893 55.803 -0.252 0.000 0.844 89 Q CB -0.316 28.228 28.738 -0.325 0.000 0.898 89 Q HN 0.241 nan 8.270 nan 0.000 0.426 90 L N 0.118 121.096 121.223 -0.408 0.000 2.012 90 L HA -0.243 4.098 4.340 0.000 0.000 0.210 90 L C 2.093 178.900 176.870 -0.106 0.000 1.073 90 L CA 1.922 56.571 54.840 -0.318 0.000 0.748 90 L CB -0.535 41.356 42.059 -0.281 0.000 0.891 90 L HN 0.235 nan 8.230 nan 0.000 0.431 91 Q N -0.291 119.495 119.800 -0.023 0.000 2.084 91 Q HA -0.161 4.180 4.340 0.000 0.000 0.202 91 Q C 2.377 178.386 176.000 0.015 0.000 0.978 91 Q CA 2.107 57.969 55.803 0.098 0.000 0.844 91 Q CB -0.441 28.372 28.738 0.125 0.000 0.898 91 Q HN 0.626 nan 8.270 nan 0.000 0.426 92 I N 0.960 121.497 120.570 -0.055 0.000 2.127 92 I HA -0.306 3.864 4.170 0.000 0.000 0.241 92 I C 2.259 178.328 176.117 -0.079 0.000 1.075 92 I CA 1.270 62.525 61.300 -0.075 0.000 1.334 92 I CB -0.278 37.664 38.000 -0.097 0.000 1.040 92 I HN 0.105 nan 8.210 nan 0.000 0.405 93 K N 0.545 120.881 120.400 -0.106 0.000 2.097 93 K HA -0.060 4.260 4.320 0.000 0.000 0.205 93 K C 2.074 178.613 176.600 -0.102 0.000 1.050 93 K CA 1.320 57.549 56.287 -0.096 0.000 0.938 93 K CB -0.313 32.122 32.500 -0.110 0.000 0.718 93 K HN 0.383 nan 8.250 nan 0.000 0.442 94 L N -0.337 120.777 121.223 -0.183 0.000 2.249 94 L HA -0.058 4.282 4.340 0.000 0.000 0.207 94 L C 1.672 178.275 176.870 -0.445 0.000 1.090 94 L CA 0.847 55.473 54.840 -0.358 0.000 0.802 94 L CB -0.073 41.625 42.059 -0.602 0.000 0.947 94 L HN 0.265 nan 8.230 nan 0.000 0.453 95 H N -2.552 116.506 119.070 -0.020 0.000 3.643 95 H HA 0.113 4.669 4.556 0.001 0.000 0.256 95 H C 0.213 175.502 175.328 -0.066 0.000 1.107 95 H CA -0.245 55.769 56.048 -0.056 0.000 1.175 95 H CB 0.182 29.886 29.762 -0.097 0.000 1.519 95 H HN 0.093 nan 8.280 nan 0.000 0.565 96 N N 2.443 121.156 118.700 0.022 0.000 2.725 96 N HA -0.122 4.618 4.740 0.000 0.000 0.280 96 N C -2.759 172.722 175.510 -0.048 0.000 1.017 96 N CA -0.105 52.929 53.050 -0.027 0.000 0.813 96 N CB -0.551 37.919 38.487 -0.029 0.000 0.931 96 N HN 0.182 nan 8.380 nan 0.000 0.570 97 P HA 0.094 nan 4.420 nan 0.000 0.268 97 P C -1.766 175.429 177.300 -0.175 0.000 1.204 97 P CA -1.114 61.919 63.100 -0.112 0.000 0.768 97 P CB 0.532 32.157 31.700 -0.125 0.000 0.842 98 P HA -0.146 nan 4.420 nan 0.000 0.218 98 P C 1.311 178.337 177.300 -0.457 0.000 1.146 98 P CA 1.581 64.570 63.100 -0.185 0.000 0.813 98 P CB -0.087 31.557 31.700 -0.094 0.000 0.778 99 T N -1.043 113.126 114.554 -0.642 0.000 3.113 99 T HA 0.040 4.390 4.350 0.000 0.000 0.256 99 T C 1.452 175.768 174.700 -0.641 0.000 1.131 99 T CA -0.011 61.420 62.100 -1.114 0.000 1.074 99 T CB -0.887 67.639 68.868 -0.571 0.000 0.944 99 T HN 0.125 nan 8.240 nan 0.000 0.516 100 I N -1.285 119.022 120.570 -0.439 0.000 2.335 100 I HA -0.148 4.023 4.170 0.000 0.000 0.251 100 I C 1.391 177.314 176.117 -0.322 0.000 1.129 100 I CA 1.740 62.811 61.300 -0.381 0.000 1.402 100 I CB -0.497 37.225 38.000 -0.462 0.000 1.069 100 I HN 0.287 nan 8.210 nan 0.000 0.424 101 H N -1.057 118.000 119.070 -0.021 0.000 2.505 101 H HA 0.361 4.917 4.556 0.000 0.000 0.286 101 H C -0.368 175.098 175.328 0.229 0.000 1.072 101 H CA -0.519 55.580 56.048 0.086 0.000 1.141 101 H CB -0.000 29.809 29.762 0.079 0.000 1.550 101 H HN 0.321 nan 8.280 nan 0.000 0.547 102 Y N 1.453 121.813 120.300 0.099 0.000 2.357 102 Y HA 0.090 4.640 4.550 0.000 0.000 0.340 102 Y C -1.843 174.103 175.900 0.076 0.000 1.260 102 Y CA -2.686 55.463 58.100 0.082 0.000 1.425 102 Y CB 0.365 38.868 38.460 0.072 0.000 1.326 102 Y HN 0.055 nan 8.280 nan 0.000 0.580 103 P HA -0.029 nan 4.420 nan 0.000 0.266 103 P C -2.109 175.282 177.300 0.151 0.000 1.195 103 P CA -0.793 62.390 63.100 0.138 0.000 0.768 103 P CB 0.286 32.038 31.700 0.086 0.000 0.838 104 P HA -0.263 nan 4.420 nan 0.000 0.216 104 P C 1.525 178.890 177.300 0.108 0.000 1.157 104 P CA 2.120 65.273 63.100 0.088 0.000 0.880 104 P CB -0.300 31.435 31.700 0.059 0.000 0.791 105 S N -2.135 113.635 115.700 0.116 0.000 2.423 105 S HA -0.122 4.348 4.470 0.000 0.000 0.231 105 S C 1.211 175.954 174.600 0.238 0.000 1.014 105 S CA 0.611 58.900 58.200 0.147 0.000 0.965 105 S CB -0.838 62.426 63.200 0.107 0.000 0.785 105 S HN 0.212 nan 8.310 nan 0.000 0.495 106 Q N 0.351 120.282 119.800 0.219 0.000 2.214 106 Q HA 0.519 4.859 4.340 0.000 0.000 0.168 106 Q C 1.183 177.433 176.000 0.417 0.000 1.047 106 Q CA -0.078 55.895 55.803 0.284 0.000 1.102 106 Q CB -0.053 28.764 28.738 0.131 0.000 1.458 106 Q HN 0.410 nan 8.270 nan 0.000 0.561 107 G N 0.204 109.309 108.800 0.509 0.000 3.374 107 G HA2 -0.057 3.903 3.960 0.000 0.000 0.252 107 G HA3 -0.057 3.903 3.960 0.000 0.000 0.252 107 G C 0.020 175.011 174.900 0.152 0.000 1.326 107 G CA -0.118 45.214 45.100 0.385 0.000 1.133 107 G HN 0.371 nan 8.290 nan 0.000 0.528 108 Q N 0.496 120.385 119.800 0.147 0.000 2.308 108 Q HA 0.033 4.373 4.340 0.000 0.000 0.313 108 Q C 0.750 176.729 176.000 -0.035 0.000 1.075 108 Q CA -0.174 55.661 55.803 0.054 0.000 0.995 108 Q CB 0.324 29.110 28.738 0.079 0.000 1.107 108 Q HN 0.362 nan 8.270 nan 0.000 0.380 109 M N 3.763 123.305 119.600 -0.097 0.000 2.260 109 M HA -0.074 4.406 4.480 0.000 0.000 0.348 109 M C -0.663 175.600 176.300 -0.063 0.000 1.342 109 M CA 0.883 56.126 55.300 -0.095 0.000 1.040 109 M CB 0.296 32.823 32.600 -0.122 0.000 1.810 109 M HN 0.682 nan 8.290 nan 0.000 0.453 110 D N 3.947 124.312 120.400 -0.057 0.000 2.531 110 D HA 0.723 5.364 4.640 0.000 0.000 0.244 110 D C -1.831 174.453 176.300 -0.027 0.000 1.090 110 D CA -0.422 53.554 54.000 -0.039 0.000 0.989 110 D CB 1.906 42.682 40.800 -0.040 0.000 1.433 110 D HN 0.676 nan 8.370 nan 0.000 0.492 111 L N 0.771 121.988 121.223 -0.009 0.000 2.513 111 L HA 0.530 4.870 4.340 0.000 0.000 0.261 111 L C -1.823 175.060 176.870 0.022 0.000 0.945 111 L CA -0.552 54.299 54.840 0.019 0.000 0.848 111 L CB 1.806 43.883 42.059 0.031 0.000 1.334 111 L HN 0.552 nan 8.230 nan 0.000 0.407 112 C N 4.529 123.854 119.300 0.042 0.000 2.396 112 C HA 0.657 5.117 4.460 0.000 0.000 0.321 112 C C -0.216 174.821 174.990 0.079 0.000 1.233 112 C CA -0.509 58.532 59.018 0.039 0.000 1.440 112 C CB 1.190 28.939 27.740 0.015 0.000 2.110 112 C HN 0.581 nan 8.230 nan 0.000 0.473 113 V N 6.689 126.647 119.914 0.073 0.000 2.521 113 V HA 0.381 4.501 4.120 0.000 0.000 0.286 113 V C 0.984 177.123 176.094 0.075 0.000 1.034 113 V CA 0.457 62.816 62.300 0.097 0.000 1.045 113 V CB 0.994 32.862 31.823 0.075 0.000 0.974 113 V HN 1.016 nan 8.190 nan 0.000 0.480 114 T N 1.138 115.734 114.554 0.070 0.000 2.940 114 T HA 0.401 4.751 4.350 0.000 0.000 0.288 114 T C 0.096 174.817 174.700 0.034 0.000 1.045 114 T CA -0.763 61.353 62.100 0.027 0.000 1.018 114 T CB 1.620 70.477 68.868 -0.018 0.000 1.151 114 T HN 0.397 nan 8.240 nan 0.000 0.529 115 S N 1.434 117.141 115.700 0.012 0.000 4.139 115 S HA 0.560 5.030 4.470 0.000 0.000 0.215 115 S C 0.851 175.456 174.600 0.009 0.000 1.390 115 S CA 0.101 58.310 58.200 0.016 0.000 0.885 115 S CB -1.120 62.080 63.200 -0.001 0.000 1.560 115 S HN 1.440 nan 8.310 nan 0.000 0.449 116 G N 1.827 110.640 108.800 0.021 0.000 2.733 116 G HA2 -0.216 3.744 3.960 0.000 0.000 0.686 116 G HA3 -0.216 3.744 3.960 0.000 0.000 0.686 116 G C 0.697 175.574 174.900 -0.037 0.000 1.373 116 G CA -0.331 44.772 45.100 0.006 0.000 0.838 116 G HN 0.803 nan 8.290 nan 0.000 0.588 117 S N -0.209 115.446 115.700 -0.074 0.000 2.423 117 S HA -0.149 4.321 4.470 0.000 0.000 0.231 117 S C 2.070 176.605 174.600 -0.108 0.000 1.014 117 S CA 1.919 60.041 58.200 -0.131 0.000 0.965 117 S CB -0.078 63.002 63.200 -0.199 0.000 0.785 117 S HN 1.253 nan 8.310 nan 0.000 0.495 118 Q N 1.617 121.384 119.800 -0.055 0.000 2.170 118 Q HA -0.100 4.240 4.340 0.000 0.000 0.203 118 Q C 2.229 178.186 176.000 -0.072 0.000 0.976 118 Q CA 1.858 57.647 55.803 -0.025 0.000 0.858 118 Q CB -0.646 28.128 28.738 0.060 0.000 0.907 118 Q HN 0.809 nan 8.270 nan 0.000 0.433 119 Q N -1.083 118.676 119.800 -0.070 0.000 2.096 119 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 119 Q C 1.814 177.729 176.000 -0.142 0.000 0.982 119 Q CA 1.643 57.390 55.803 -0.094 0.000 0.850 119 Q CB -0.522 28.172 28.738 -0.074 0.000 0.901 119 Q HN 0.564 nan 8.270 nan 0.000 0.422 120 G N 0.959 109.673 108.800 -0.143 0.000 2.418 120 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 120 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 120 G C 1.428 176.169 174.900 -0.265 0.000 1.158 120 G CA 0.752 45.749 45.100 -0.171 0.000 0.771 120 G HN 0.306 nan 8.290 nan 0.000 0.545 121 L N -0.014 121.012 121.223 -0.327 0.000 2.012 121 L HA -0.154 4.186 4.340 0.000 0.000 0.210 121 L C 3.009 179.390 176.870 -0.814 0.000 1.073 121 L CA 1.211 55.680 54.840 -0.619 0.000 0.748 121 L CB -0.699 41.056 42.059 -0.506 0.000 0.891 121 L HN 0.396 nan 8.230 nan 0.000 0.431 122 C N 0.366 119.418 119.300 -0.414 0.000 2.425 122 C HA -0.146 4.314 4.460 0.000 0.000 0.277 122 C C 2.833 177.731 174.990 -0.154 0.000 1.280 122 C CA 0.933 59.822 59.018 -0.215 0.000 1.744 122 C CB -0.650 27.040 27.740 -0.083 0.000 1.989 122 C HN 0.388 nan 8.230 nan 0.000 0.491 123 K N -0.013 120.272 120.400 -0.192 0.000 2.167 123 K HA -0.028 4.293 4.320 0.000 0.000 0.203 123 K C 1.919 178.492 176.600 -0.044 0.000 1.052 123 K CA 1.102 57.325 56.287 -0.107 0.000 0.956 123 K CB -0.145 32.259 32.500 -0.160 0.000 0.735 123 K HN 0.435 nan 8.250 nan 0.000 0.451 124 V N 1.495 121.307 119.914 -0.170 0.000 2.237 124 V HA -0.260 3.860 4.120 0.000 0.000 0.245 124 V C 2.036 178.131 176.094 0.002 0.000 1.046 124 V CA 1.849 64.060 62.300 -0.149 0.000 1.007 124 V CB -0.662 30.985 31.823 -0.292 0.000 0.638 124 V HN 0.232 nan 8.190 nan 0.000 0.445 125 F N 0.426 120.337 119.950 -0.065 0.000 2.063 125 F HA -0.298 4.229 4.527 0.000 0.000 0.298 125 F C 2.618 178.462 175.800 0.074 0.000 1.109 125 F CA 1.865 59.867 58.000 0.004 0.000 1.212 125 F CB -0.446 38.550 39.000 -0.006 0.000 0.973 125 F HN 0.205 nan 8.300 nan 0.000 0.480 126 E N 0.177 120.522 120.200 0.241 0.000 2.077 126 E HA -0.275 4.075 4.350 0.000 0.000 0.193 126 E C 2.112 178.814 176.600 0.171 0.000 0.989 126 E CA 1.383 57.901 56.400 0.198 0.000 0.800 126 E CB -0.267 29.569 29.700 0.227 0.000 0.746 126 E HN 0.438 nan 8.360 nan 0.000 0.452 127 M N 0.359 120.056 119.600 0.162 0.000 2.202 127 M HA -0.186 4.294 4.480 0.000 0.000 0.262 127 M C 1.694 178.088 176.300 0.156 0.000 1.063 127 M CA 1.662 57.043 55.300 0.135 0.000 1.097 127 M CB 0.085 32.750 32.600 0.109 0.000 1.382 127 M HN 0.098 nan 8.290 nan 0.000 0.413 128 I N -0.612 120.083 120.570 0.209 0.000 2.810 128 I HA 0.062 4.232 4.170 0.000 0.000 0.262 128 I C 0.569 176.820 176.117 0.224 0.000 1.131 128 I CA 0.028 61.489 61.300 0.267 0.000 1.453 128 I CB 0.297 38.538 38.000 0.403 0.000 1.161 128 I HN 0.058 nan 8.210 nan 0.000 0.444 129 I N 2.782 123.482 120.570 0.217 0.000 2.396 129 I HA 0.074 4.244 4.170 0.000 0.000 0.289 129 I C -0.406 175.759 176.117 0.080 0.000 1.056 129 I CA -0.059 61.331 61.300 0.150 0.000 1.365 129 I CB 0.110 38.201 38.000 0.152 0.000 1.407 129 I HN 0.192 nan 8.210 nan 0.000 0.509 130 N N 8.168 126.895 118.700 0.045 0.000 2.473 130 N HA 0.375 5.115 4.740 0.000 0.000 0.291 130 N C -2.512 172.996 175.510 -0.003 0.000 1.083 130 N CA -1.659 51.401 53.050 0.017 0.000 0.951 130 N CB 1.231 39.722 38.487 0.007 0.000 1.164 130 N HN 0.195 nan 8.380 nan 0.000 0.480 131 P HA 0.054 nan 4.420 nan 0.000 0.262 131 P C 0.882 178.169 177.300 -0.022 0.000 1.182 131 P CA 0.723 63.809 63.100 -0.023 0.000 0.761 131 P CB 0.308 31.994 31.700 -0.024 0.000 0.795 132 G N 2.130 110.914 108.800 -0.028 0.000 2.241 132 G HA2 -0.203 3.757 3.960 0.000 0.000 0.244 132 G HA3 -0.203 3.757 3.960 0.000 0.000 0.244 132 G C 0.081 174.963 174.900 -0.030 0.000 0.998 132 G CA -0.263 44.824 45.100 -0.021 0.000 0.621 132 G HN 0.500 nan 8.290 nan 0.000 0.519 133 D N 1.454 121.826 120.400 -0.046 0.000 2.449 133 D HA 0.263 4.903 4.640 0.000 0.000 0.236 133 D C 0.537 176.770 176.300 -0.112 0.000 1.149 133 D CA 0.199 54.154 54.000 -0.075 0.000 0.878 133 D CB 0.332 41.090 40.800 -0.070 0.000 1.198 133 D HN 0.238 nan 8.370 nan 0.000 0.446 134 N N 0.470 119.085 118.700 -0.141 0.000 2.479 134 N HA 0.364 5.104 4.740 0.000 0.000 0.285 134 N C -0.448 174.868 175.510 -0.325 0.000 1.075 134 N CA -0.397 52.552 53.050 -0.168 0.000 0.967 134 N CB 1.607 40.039 38.487 -0.092 0.000 1.137 134 N HN 0.187 nan 8.380 nan 0.000 0.472 135 V N -0.425 119.267 119.914 -0.370 0.000 3.007 135 V HA 0.666 4.786 4.120 0.000 0.000 0.311 135 V C -0.892 174.972 176.094 -0.384 0.000 1.120 135 V CA -0.988 60.944 62.300 -0.614 0.000 0.980 135 V CB 1.946 33.209 31.823 -0.933 0.000 1.033 135 V HN 0.380 nan 8.190 nan 0.000 0.429 136 L N 4.306 125.309 121.223 -0.366 0.000 2.362 136 L HA 0.904 5.244 4.340 0.000 0.000 0.275 136 L C -0.760 176.091 176.870 -0.033 0.000 0.998 136 L CA -0.574 54.145 54.840 -0.202 0.000 0.820 136 L CB 1.717 43.589 42.059 -0.311 0.000 1.270 136 L HN 0.871 nan 8.230 nan 0.000 0.415 137 L N -0.222 121.011 121.223 0.017 0.000 2.765 137 L HA 0.651 4.991 4.340 0.000 0.000 0.263 137 L C -1.526 175.391 176.870 0.078 0.000 1.068 137 L CA -0.859 54.053 54.840 0.121 0.000 0.903 137 L CB 1.445 43.648 42.059 0.240 0.000 1.512 137 L HN 0.471 nan 8.230 nan 0.000 0.404 138 D N -0.670 119.788 120.400 0.096 0.000 2.198 138 D HA 0.352 4.992 4.640 0.000 0.000 0.245 138 D C -0.878 175.441 176.300 0.032 0.000 1.079 138 D CA -0.249 53.785 54.000 0.057 0.000 0.854 138 D CB 2.133 42.961 40.800 0.046 0.000 1.148 138 D HN 0.715 nan 8.370 nan 0.000 0.456 139 E N 1.648 121.860 120.200 0.019 0.000 2.242 139 E HA 0.319 4.669 4.350 0.000 0.000 0.275 139 E C -2.106 174.443 176.600 -0.085 0.000 1.002 139 E CA -1.938 54.428 56.400 -0.055 0.000 0.841 139 E CB 1.676 31.412 29.700 0.060 0.000 1.109 139 E HN 0.373 nan 8.360 nan 0.000 0.394 140 P HA 0.177 nan 4.420 nan 0.000 0.274 140 P C -1.376 175.720 177.300 -0.341 0.000 1.231 140 P CA -0.235 62.491 63.100 -0.622 0.000 0.790 140 P CB 1.144 32.289 31.700 -0.926 0.000 0.951 141 A N 1.977 124.682 122.820 -0.191 0.000 2.527 141 A HA 0.446 4.766 4.320 0.000 0.000 0.293 141 A C -1.202 176.497 177.584 0.191 0.000 1.117 141 A CA -0.759 51.291 52.037 0.020 0.000 0.723 141 A CB 0.652 19.699 19.000 0.077 0.000 1.313 141 A HN 0.510 nan 8.150 nan 0.000 0.411 142 Y N 2.002 122.388 120.300 0.143 0.000 2.805 142 Y HA 0.112 4.662 4.550 0.000 0.000 0.331 142 Y C 1.642 177.609 175.900 0.111 0.000 1.241 142 Y CA 0.366 58.585 58.100 0.199 0.000 1.546 142 Y CB 0.514 39.099 38.460 0.207 0.000 1.248 142 Y HN 0.774 nan 8.280 nan 0.000 0.559 143 S N 3.035 118.594 115.700 -0.235 0.000 2.383 143 S HA -0.171 4.299 4.470 0.000 0.000 0.229 143 S C 2.113 176.317 174.600 -0.659 0.000 1.030 143 S CA 1.028 58.945 58.200 -0.471 0.000 1.002 143 S CB -1.082 61.823 63.200 -0.491 0.000 0.829 143 S HN 0.903 nan 8.310 nan 0.000 0.467 144 G N 1.212 109.193 108.800 -1.365 0.000 2.408 144 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 144 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 144 G C 1.523 176.132 174.900 -0.486 0.000 1.150 144 G CA 1.392 45.953 45.100 -0.898 0.000 0.776 144 G HN 0.602 nan 8.290 nan 0.000 0.542 145 T N 0.321 114.584 114.554 -0.487 0.000 2.821 145 T HA 0.003 4.353 4.350 0.000 0.000 0.267 145 T C 2.462 177.023 174.700 -0.232 0.000 1.046 145 T CA 1.112 63.122 62.100 -0.149 0.000 1.139 145 T CB -0.226 68.584 68.868 -0.097 0.000 0.871 145 T HN 0.197 nan 8.240 nan 0.000 0.454 146 L N 0.355 121.430 121.223 -0.248 0.000 2.093 146 L HA -0.041 4.299 4.340 0.000 0.000 0.208 146 L C 3.190 179.978 176.870 -0.136 0.000 1.085 146 L CA 1.154 55.881 54.840 -0.188 0.000 0.755 146 L CB -0.535 41.423 42.059 -0.168 0.000 0.904 146 L HN 0.283 nan 8.230 nan 0.000 0.435 147 Q N -0.942 118.764 119.800 -0.156 0.000 2.230 147 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 147 Q C 2.396 178.385 176.000 -0.018 0.000 0.963 147 Q CA 1.159 56.912 55.803 -0.084 0.000 0.866 147 Q CB -0.075 28.594 28.738 -0.115 0.000 0.931 147 Q HN 0.350 nan 8.270 nan 0.000 0.452 148 S N 0.338 116.021 115.700 -0.028 0.000 2.371 148 S HA 0.020 4.491 4.470 0.000 0.000 0.224 148 S C 1.916 176.523 174.600 0.012 0.000 1.029 148 S CA 0.473 58.701 58.200 0.047 0.000 0.978 148 S CB 0.046 63.349 63.200 0.171 0.000 0.833 148 S HN 0.275 nan 8.310 nan 0.000 0.466 149 L N 0.840 122.001 121.223 -0.104 0.000 2.240 149 L HA -0.015 4.326 4.340 0.000 0.000 0.211 149 L C 2.532 179.365 176.870 -0.063 0.000 1.106 149 L CA 1.168 55.907 54.840 -0.169 0.000 0.793 149 L CB -0.700 41.162 42.059 -0.328 0.000 0.927 149 L HN 0.524 nan 8.230 nan 0.000 0.446 150 H N 1.726 120.735 119.070 -0.103 0.000 2.290 150 H HA -0.127 4.429 4.556 0.000 0.000 0.298 150 H C -0.608 174.692 175.328 -0.047 0.000 1.087 150 H CA 1.704 57.709 56.048 -0.073 0.000 1.291 150 H CB -0.758 28.964 29.762 -0.067 0.000 1.369 150 H HN 0.197 nan 8.280 nan 0.000 0.492 151 P HA -0.058 nan 4.420 nan 0.000 0.229 151 P C 1.403 178.607 177.300 -0.160 0.000 1.160 151 P CA 0.446 63.382 63.100 -0.274 0.000 0.777 151 P CB 0.038 31.679 31.700 -0.099 0.000 0.814 152 L N -1.551 119.612 121.223 -0.100 0.000 2.552 152 L HA 0.194 4.535 4.340 0.000 0.000 0.227 152 L C 1.521 178.351 176.870 -0.068 0.000 1.146 152 L CA 1.373 56.182 54.840 -0.051 0.000 0.858 152 L CB -1.937 40.120 42.059 -0.003 0.000 0.969 152 L HN 0.172 nan 8.230 nan 0.000 0.451 153 G N 0.747 109.480 108.800 -0.113 0.000 2.249 153 G HA2 -0.332 3.628 3.960 0.000 0.000 0.273 153 G HA3 -0.332 3.628 3.960 0.000 0.000 0.273 153 G C 0.653 175.515 174.900 -0.065 0.000 1.036 153 G CA 0.459 45.501 45.100 -0.095 0.000 0.824 153 G HN 0.532 nan 8.290 nan 0.000 0.504 154 C N -1.232 118.025 119.300 -0.070 0.000 2.500 154 C HA 0.690 5.150 4.460 0.000 0.000 0.367 154 C C 0.887 175.834 174.990 -0.071 0.000 1.283 154 C CA -1.268 57.702 59.018 -0.079 0.000 2.456 154 C CB 0.979 28.648 27.740 -0.117 0.000 2.457 154 C HN 0.591 nan 8.230 nan 0.000 0.632 155 N N 0.813 119.469 118.700 -0.074 0.000 2.420 155 N HA 0.360 5.100 4.740 0.000 0.000 0.249 155 N C -0.909 174.549 175.510 -0.086 0.000 1.033 155 N CA -0.420 52.597 53.050 -0.055 0.000 0.944 155 N CB 0.355 38.825 38.487 -0.028 0.000 1.113 155 N HN 0.666 nan 8.380 nan 0.000 0.502 156 I N 5.069 125.595 120.570 -0.074 0.000 2.379 156 I HA 0.155 4.325 4.170 0.000 0.000 0.290 156 I C 0.243 176.329 176.117 -0.051 0.000 1.063 156 I CA -0.231 61.018 61.300 -0.085 0.000 1.351 156 I CB 0.690 38.647 38.000 -0.072 0.000 1.410 156 I HN 0.362 nan 8.210 nan 0.000 0.505 157 I N 6.395 126.927 120.570 -0.063 0.000 2.297 157 I HA 0.140 4.310 4.170 0.000 0.000 0.291 157 I C 0.329 176.430 176.117 -0.026 0.000 1.033 157 I CA -0.454 60.825 61.300 -0.035 0.000 1.253 157 I CB 0.722 38.702 38.000 -0.034 0.000 1.396 157 I HN 0.548 nan 8.210 nan 0.000 0.476 158 N N 6.017 124.719 118.700 0.003 0.000 2.492 158 N HA 0.174 4.914 4.740 0.000 0.000 0.262 158 N C -0.944 174.577 175.510 0.019 0.000 1.202 158 N CA 0.035 53.100 53.050 0.024 0.000 0.926 158 N CB 0.961 39.481 38.487 0.056 0.000 1.078 158 N HN 0.271 nan 8.380 nan 0.000 0.454 159 V N 2.200 122.128 119.914 0.023 0.000 2.483 159 V HA 0.649 4.769 4.120 0.000 0.000 0.295 159 V C 0.446 176.566 176.094 0.044 0.000 1.035 159 V CA -1.163 61.150 62.300 0.023 0.000 0.896 159 V CB 1.124 32.955 31.823 0.014 0.000 0.986 159 V HN 0.890 nan 8.190 nan 0.000 0.447 160 A N 3.916 126.765 122.820 0.047 0.000 2.445 160 A HA 0.673 4.993 4.320 0.000 0.000 0.242 160 A C 0.432 178.053 177.584 0.062 0.000 1.075 160 A CA 0.173 52.247 52.037 0.061 0.000 0.777 160 A CB 0.195 19.230 19.000 0.059 0.000 1.013 160 A HN 1.239 nan 8.150 nan 0.000 0.493 161 S N 0.769 116.511 115.700 0.069 0.000 2.564 161 S HA 0.773 5.243 4.470 0.000 0.000 0.274 161 S C -1.040 173.602 174.600 0.069 0.000 1.124 161 S CA -0.302 57.934 58.200 0.059 0.000 0.869 161 S CB 2.011 65.238 63.200 0.045 0.000 1.105 161 S HN 0.916 nan 8.310 nan 0.000 0.472 162 D N 0.265 120.692 120.400 0.046 0.000 2.989 162 D HA 0.373 5.014 4.640 0.000 0.000 0.284 162 D C 0.545 176.817 176.300 -0.047 0.000 1.212 162 D CA -0.672 53.349 54.000 0.035 0.000 1.055 162 D CB -0.472 40.347 40.800 0.031 0.000 1.351 162 D HN 0.384 nan 8.370 nan 0.000 0.611 163 E N -0.305 119.780 120.200 -0.192 0.000 2.171 163 E HA -0.083 4.268 4.350 0.000 0.000 0.197 163 E C 1.084 177.606 176.600 -0.130 0.000 0.997 163 E CA 1.695 57.887 56.400 -0.348 0.000 0.810 163 E CB -0.265 29.156 29.700 -0.465 0.000 0.738 163 E HN 0.261 nan 8.360 nan 0.000 0.467 164 S N -0.358 115.303 115.700 -0.066 0.000 2.614 164 S HA 0.421 4.891 4.470 0.000 0.000 0.230 164 S C 0.499 175.100 174.600 0.002 0.000 0.952 164 S CA 0.155 58.342 58.200 -0.022 0.000 0.949 164 S CB 0.250 63.444 63.200 -0.010 0.000 0.786 164 S HN 0.521 nan 8.310 nan 0.000 0.478 165 G N 2.305 111.108 108.800 0.004 0.000 2.545 165 G HA2 -0.221 3.739 3.960 0.000 0.000 0.216 165 G HA3 -0.221 3.739 3.960 0.000 0.000 0.216 165 G C -0.171 174.755 174.900 0.042 0.000 1.314 165 G CA -0.499 44.615 45.100 0.025 0.000 0.906 165 G HN 0.707 nan 8.290 nan 0.000 0.563 166 I N -0.376 120.233 120.570 0.065 0.000 2.775 166 I HA 0.432 4.603 4.170 0.000 0.000 0.290 166 I C 0.553 176.714 176.117 0.074 0.000 1.203 166 I CA -0.627 60.716 61.300 0.073 0.000 1.433 166 I CB 0.544 38.597 38.000 0.089 0.000 1.354 166 I HN 0.521 nan 8.210 nan 0.000 0.579 167 V N 8.342 128.295 119.914 0.065 0.000 2.408 167 V HA 0.188 4.308 4.120 0.000 0.000 0.267 167 V C -1.361 174.775 176.094 0.070 0.000 1.047 167 V CA -1.004 61.333 62.300 0.062 0.000 0.937 167 V CB 0.582 32.438 31.823 0.054 0.000 0.999 167 V HN 0.771 nan 8.190 nan 0.000 0.472 168 P HA -0.097 nan 4.420 nan 0.000 0.219 168 P C 1.015 178.359 177.300 0.074 0.000 1.146 168 P CA 0.948 64.103 63.100 0.091 0.000 0.808 168 P CB 0.305 32.066 31.700 0.102 0.000 0.779 169 D N -1.036 119.401 120.400 0.061 0.000 2.123 169 D HA -0.148 4.493 4.640 0.000 0.000 0.196 169 D C 2.122 178.447 176.300 0.043 0.000 0.992 169 D CA 1.436 55.467 54.000 0.052 0.000 0.833 169 D CB -0.888 39.939 40.800 0.045 0.000 0.954 169 D HN 0.099 nan 8.370 nan 0.000 0.455 170 S N -0.170 115.555 115.700 0.042 0.000 2.356 170 S HA -0.150 4.320 4.470 0.000 0.000 0.223 170 S C 1.915 176.528 174.600 0.022 0.000 1.032 170 S CA 0.679 58.898 58.200 0.032 0.000 1.005 170 S CB -0.334 62.888 63.200 0.038 0.000 0.867 170 S HN 0.144 nan 8.310 nan 0.000 0.449 171 L N 2.136 123.378 121.223 0.032 0.000 2.017 171 L HA 0.041 4.381 4.340 0.000 0.000 0.208 171 L C 2.569 179.440 176.870 0.002 0.000 1.073 171 L CA 2.120 56.971 54.840 0.019 0.000 0.745 171 L CB -0.922 41.173 42.059 0.060 0.000 0.894 171 L HN 0.327 nan 8.230 nan 0.000 0.432 172 R N -0.628 119.891 120.500 0.033 0.000 2.083 172 R HA -0.202 4.138 4.340 0.000 0.000 0.237 172 R C 1.898 178.199 176.300 0.002 0.000 1.137 172 R CA 2.075 58.194 56.100 0.031 0.000 0.951 172 R CB -0.337 30.006 30.300 0.070 0.000 0.851 172 R HN 0.430 nan 8.270 nan 0.000 0.434 173 D N 0.192 120.597 120.400 0.009 0.000 2.117 173 D HA -0.145 4.495 4.640 0.000 0.000 0.197 173 D C 1.874 178.157 176.300 -0.028 0.000 0.987 173 D CA 1.216 55.216 54.000 -0.000 0.000 0.829 173 D CB -0.140 40.664 40.800 0.007 0.000 0.961 173 D HN 0.324 nan 8.370 nan 0.000 0.460 174 I N 0.281 120.831 120.570 -0.034 0.000 2.226 174 I HA -0.213 3.958 4.170 0.000 0.000 0.245 174 I C 2.144 178.235 176.117 -0.044 0.000 1.100 174 I CA 0.744 62.019 61.300 -0.042 0.000 1.374 174 I CB -0.077 37.906 38.000 -0.029 0.000 1.057 174 I HN -0.031 nan 8.210 nan 0.000 0.413 175 L N 0.212 121.375 121.223 -0.101 0.000 2.376 175 L HA -0.106 4.234 4.340 0.000 0.000 0.219 175 L C 2.497 179.332 176.870 -0.060 0.000 1.133 175 L CA 0.922 55.644 54.840 -0.196 0.000 0.816 175 L CB -0.543 41.000 42.059 -0.860 0.000 0.933 175 L HN 0.326 nan 8.230 nan 0.000 0.449 176 S N -0.647 115.041 115.700 -0.020 0.000 2.547 176 S HA -0.123 4.347 4.470 0.000 0.000 0.235 176 S C 1.894 176.483 174.600 -0.019 0.000 0.980 176 S CA 0.302 58.547 58.200 0.074 0.000 0.941 176 S CB -0.323 62.914 63.200 0.061 0.000 0.763 176 S HN 0.376 nan 8.310 nan 0.000 0.532 177 R N 0.077 120.451 120.500 -0.210 0.000 2.159 177 R HA -0.008 4.332 4.340 0.000 0.000 0.237 177 R C -0.154 175.843 176.300 -0.504 0.000 1.131 177 R CA 1.287 57.091 56.100 -0.494 0.000 0.982 177 R CB -0.044 29.704 30.300 -0.921 0.000 0.868 177 R HN 0.588 nan 8.270 nan 0.000 0.453 178 W N -0.110 121.250 121.300 0.101 0.000 2.655 178 W HA 0.444 5.103 4.660 -0.002 0.000 0.358 178 W C 0.002 176.655 176.519 0.223 0.000 1.100 178 W CA -1.050 56.388 57.345 0.155 0.000 1.195 178 W CB 0.504 30.083 29.460 0.197 0.000 1.403 178 W HN -0.440 nan 8.180 nan 0.000 0.589 179 K N 1.021 121.639 120.400 0.364 0.000 2.098 179 K HA 0.256 4.576 4.320 0.000 0.000 0.258 179 K C -1.760 174.914 176.600 0.124 0.000 0.973 179 K CA -1.847 54.567 56.287 0.211 0.000 0.898 179 K CB 1.027 33.590 32.500 0.105 0.000 1.057 179 K HN -0.015 nan 8.250 nan 0.000 0.447 180 P HA -0.167 nan 4.420 nan 0.000 0.216 180 P C 0.422 177.639 177.300 -0.138 0.000 1.150 180 P CA 1.424 64.290 63.100 -0.391 0.000 0.843 180 P CB 0.365 31.805 31.700 -0.434 0.000 0.787 181 E N -0.654 119.508 120.200 -0.063 0.000 2.204 181 E HA -0.152 4.198 4.350 0.000 0.000 0.195 181 E C 1.485 178.085 176.600 0.001 0.000 0.990 181 E CA 0.945 57.328 56.400 -0.029 0.000 0.821 181 E CB -0.983 28.709 29.700 -0.014 0.000 0.750 181 E HN 0.308 nan 8.360 nan 0.000 0.477 182 D N 0.246 120.675 120.400 0.049 0.000 2.309 182 D HA -0.113 4.527 4.640 0.000 0.000 0.212 182 D C 1.674 177.976 176.300 0.002 0.000 0.968 182 D CA 1.114 55.157 54.000 0.071 0.000 0.882 182 D CB -0.228 40.690 40.800 0.196 0.000 0.918 182 D HN 0.248 nan 8.370 nan 0.000 0.503 183 A N 0.646 123.455 122.820 -0.018 0.000 1.933 183 A HA -0.172 4.148 4.320 0.000 0.000 0.218 183 A C 2.032 179.575 177.584 -0.070 0.000 1.175 183 A CA 1.239 53.245 52.037 -0.051 0.000 0.628 183 A CB -0.266 18.726 19.000 -0.013 0.000 0.814 183 A HN 0.019 nan 8.150 nan 0.000 0.444 184 K N 0.122 120.491 120.400 -0.053 0.000 2.442 184 K HA -0.022 4.298 4.320 0.000 0.000 0.198 184 K C 0.411 176.976 176.600 -0.058 0.000 1.044 184 K CA 0.615 56.867 56.287 -0.058 0.000 0.948 184 K CB -0.210 32.264 32.500 -0.043 0.000 0.762 184 K HN 0.618 nan 8.250 nan 0.000 0.472 185 N N -0.498 118.171 118.700 -0.052 0.000 2.540 185 N HA 0.128 4.868 4.740 0.000 0.000 0.275 185 N C -2.443 173.036 175.510 -0.051 0.000 1.053 185 N CA -1.696 51.330 53.050 -0.041 0.000 0.876 185 N CB 1.456 39.936 38.487 -0.012 0.000 1.284 185 N HN -0.245 nan 8.380 nan 0.000 0.518 186 P HA -0.214 nan 4.420 nan 0.000 0.216 186 P C 1.059 178.330 177.300 -0.048 0.000 1.150 186 P CA 1.477 64.532 63.100 -0.076 0.000 0.843 186 P CB 0.326 31.984 31.700 -0.070 0.000 0.787 187 Q N -0.433 119.355 119.800 -0.019 0.000 2.230 187 Q HA -0.060 4.280 4.340 0.000 0.000 0.202 187 Q C 1.631 177.652 176.000 0.036 0.000 0.963 187 Q CA 1.421 57.226 55.803 0.004 0.000 0.866 187 Q CB -0.828 27.915 28.738 0.009 0.000 0.931 187 Q HN 0.123 nan 8.270 nan 0.000 0.452 188 K N 0.383 120.819 120.400 0.060 0.000 2.437 188 K HA 0.082 4.402 4.320 0.000 0.000 0.198 188 K C -0.362 176.326 176.600 0.146 0.000 1.024 188 K CA 0.026 56.408 56.287 0.158 0.000 1.148 188 K CB 0.065 32.700 32.500 0.226 0.000 0.860 188 K HN 0.229 nan 8.250 nan 0.000 0.515 189 N N 1.902 120.567 118.700 -0.058 0.000 2.771 189 N HA -0.123 4.617 4.740 0.000 0.000 0.249 189 N C -0.776 174.341 175.510 -0.655 0.000 1.069 189 N CA 0.968 53.908 53.050 -0.183 0.000 0.688 189 N CB -1.448 37.042 38.487 0.005 0.000 0.928 189 N HN 0.375 nan 8.380 nan 0.000 0.551 190 T N -1.675 112.409 114.554 -0.783 0.000 2.903 190 T HA 0.433 4.783 4.350 0.000 0.000 0.314 190 T C -2.197 172.106 174.700 -0.661 0.000 1.078 190 T CA -1.097 60.297 62.100 -1.176 0.000 1.114 190 T CB 0.921 69.394 68.868 -0.658 0.000 0.987 190 T HN 0.076 nan 8.240 nan 0.000 0.548 191 P HA 0.152 nan 4.420 nan 0.000 0.266 191 P C 0.695 177.893 177.300 -0.169 0.000 1.195 191 P CA -0.457 62.412 63.100 -0.385 0.000 0.768 191 P CB 0.514 31.924 31.700 -0.483 0.000 0.838 192 K N 2.279 122.592 120.400 -0.144 0.000 2.103 192 K HA 0.070 4.390 4.320 0.000 0.000 0.204 192 K C 0.841 177.641 176.600 0.333 0.000 1.052 192 K CA 1.288 57.676 56.287 0.169 0.000 0.945 192 K CB -0.297 32.285 32.500 0.137 0.000 0.722 192 K HN 0.663 nan 8.250 nan 0.000 0.443 193 F N -2.189 117.805 119.950 0.074 0.000 2.713 193 F HA 0.481 5.008 4.527 0.001 0.000 0.311 193 F C -1.394 174.345 175.800 -0.102 0.000 1.141 193 F CA -1.811 56.233 58.000 0.074 0.000 0.939 193 F CB 0.743 39.803 39.000 0.100 0.000 1.325 193 F HN -0.274 nan 8.300 nan 0.000 0.453 194 L N 3.072 124.468 121.223 0.288 0.000 2.296 194 L HA 0.525 4.865 4.340 0.000 0.000 0.286 194 L C -1.597 175.490 176.870 0.362 0.000 1.023 194 L CA -0.861 54.071 54.840 0.154 0.000 0.812 194 L CB 1.172 43.266 42.059 0.058 0.000 1.223 194 L HN 0.725 nan 8.230 nan 0.000 0.421 195 Y N 4.257 124.728 120.300 0.285 0.000 2.328 195 Y HA 0.668 5.219 4.550 0.000 0.000 0.337 195 Y C -0.445 175.522 175.900 0.113 0.000 1.008 195 Y CA -0.024 58.201 58.100 0.208 0.000 1.129 195 Y CB 1.385 40.027 38.460 0.302 0.000 1.185 195 Y HN 0.759 nan 8.280 nan 0.000 0.476 196 T N 5.169 119.395 114.554 -0.546 0.000 2.894 196 T HA 0.457 4.807 4.350 0.000 0.000 0.309 196 T C -1.882 172.536 174.700 -0.470 0.000 1.208 196 T CA -0.632 61.233 62.100 -0.391 0.000 1.016 196 T CB 1.023 69.860 68.868 -0.051 0.000 1.192 196 T HN 0.413 nan 8.240 nan 0.000 0.491 197 V N 6.704 126.475 119.914 -0.238 0.000 2.304 197 V HA 0.301 4.422 4.120 0.000 0.000 0.269 197 V C -1.667 174.428 176.094 0.002 0.000 1.036 197 V CA -1.397 60.848 62.300 -0.091 0.000 0.840 197 V CB 1.016 32.855 31.823 0.028 0.000 1.036 197 V HN 0.734 nan 8.190 nan 0.000 0.466 198 P HA 0.030 nan 4.420 nan 0.000 0.225 198 P C 0.205 177.524 177.300 0.032 0.000 1.156 198 P CA 0.787 63.924 63.100 0.062 0.000 0.787 198 P CB 0.335 32.084 31.700 0.081 0.000 0.802 199 N N -0.267 118.460 118.700 0.044 0.000 2.354 199 N HA 0.336 5.076 4.740 0.000 0.000 0.287 199 N C 0.214 175.750 175.510 0.044 0.000 1.016 199 N CA -0.251 52.812 53.050 0.023 0.000 0.871 199 N CB 1.519 40.013 38.487 0.010 0.000 1.299 199 N HN -0.035 nan 8.380 nan 0.000 0.482 200 G N 2.064 110.841 108.800 -0.037 0.000 2.372 200 G HA2 -0.315 3.645 3.960 0.000 0.000 0.297 200 G HA3 -0.315 3.645 3.960 0.000 0.000 0.297 200 G C 0.292 175.111 174.900 -0.135 0.000 1.005 200 G CA 0.159 45.184 45.100 -0.124 0.000 1.173 200 G HN 0.822 nan 8.290 nan 0.000 0.511 201 N N -0.136 118.531 118.700 -0.054 0.000 2.293 201 N HA -0.049 4.691 4.740 0.000 0.000 0.253 201 N C 0.152 175.583 175.510 -0.133 0.000 1.248 201 N CA 0.263 53.281 53.050 -0.054 0.000 0.845 201 N CB 0.197 38.631 38.487 -0.089 0.000 1.073 201 N HN 0.407 nan 8.380 nan 0.000 0.464 202 N N 4.006 122.665 118.700 -0.068 0.000 2.457 202 N HA 0.276 5.016 4.740 0.000 0.000 0.250 202 N C -2.150 173.129 175.510 -0.385 0.000 0.982 202 N CA -2.202 50.732 53.050 -0.192 0.000 0.941 202 N CB 1.420 39.935 38.487 0.046 0.000 1.120 202 N HN 0.413 nan 8.380 nan 0.000 0.505 203 P HA 0.127 nan 4.420 nan 0.000 0.275 203 P C 0.638 177.445 177.300 -0.823 0.000 1.310 203 P CA 0.249 62.651 63.100 -1.164 0.000 0.904 203 P CB 0.307 30.752 31.700 -2.092 0.000 1.381 204 T N -4.717 109.396 114.554 -0.735 0.000 3.014 204 T HA 0.221 4.571 4.350 0.000 0.000 0.263 204 T C 1.732 176.425 174.700 -0.011 0.000 1.078 204 T CA 1.214 62.996 62.100 -0.529 0.000 1.135 204 T CB -1.099 67.476 68.868 -0.488 0.000 0.895 204 T HN 0.161 nan 8.240 nan 0.000 0.480 205 G N 1.563 110.361 108.800 -0.004 0.000 2.184 205 G HA2 -0.274 3.686 3.960 0.000 0.000 0.264 205 G HA3 -0.274 3.686 3.960 0.000 0.000 0.264 205 G C -0.079 174.871 174.900 0.084 0.000 0.975 205 G CA 0.142 45.301 45.100 0.099 0.000 0.642 205 G HN 0.729 nan 8.290 nan 0.000 0.536 206 N N 0.411 119.135 118.700 0.040 0.000 2.530 206 N HA 0.565 5.306 4.740 0.000 0.000 0.277 206 N C -0.286 175.228 175.510 0.007 0.000 1.168 206 N CA 0.175 53.245 53.050 0.032 0.000 0.979 206 N CB 1.055 39.545 38.487 0.006 0.000 1.141 206 N HN 0.180 nan 8.380 nan 0.000 0.459 207 S N 0.959 116.664 115.700 0.009 0.000 2.536 207 S HA 0.370 4.841 4.470 0.000 0.000 0.298 207 S C -0.138 174.462 174.600 -0.000 0.000 1.083 207 S CA -0.777 57.423 58.200 0.000 0.000 0.995 207 S CB 1.142 64.336 63.200 -0.010 0.000 1.058 207 S HN 0.303 nan 8.310 nan 0.000 0.488 208 L N 2.680 123.904 121.223 0.001 0.000 2.483 208 L HA 0.189 4.529 4.340 0.000 0.000 0.276 208 L C 1.182 178.034 176.870 -0.030 0.000 1.213 208 L CA -0.076 54.761 54.840 -0.005 0.000 0.843 208 L CB 0.450 42.507 42.059 -0.003 0.000 1.107 208 L HN 0.779 nan 8.230 nan 0.000 0.487 209 T N -1.519 113.021 114.554 -0.024 0.000 2.847 209 T HA 0.085 4.435 4.350 0.000 0.000 0.279 209 T C 1.012 175.676 174.700 -0.059 0.000 0.984 209 T CA -0.306 61.776 62.100 -0.030 0.000 0.988 209 T CB 1.572 70.433 68.868 -0.013 0.000 1.040 209 T HN 0.564 nan 8.240 nan 0.000 0.528 210 S N -0.119 115.548 115.700 -0.056 0.000 2.383 210 S HA -0.107 4.363 4.470 0.000 0.000 0.227 210 S C 1.692 176.257 174.600 -0.058 0.000 1.026 210 S CA 1.333 59.487 58.200 -0.077 0.000 0.981 210 S CB -0.647 62.522 63.200 -0.052 0.000 0.818 210 S HN 0.774 nan 8.310 nan 0.000 0.472 211 E N 0.989 121.174 120.200 -0.026 0.000 2.072 211 E HA 0.024 4.374 4.350 0.000 0.000 0.190 211 E C 2.401 179.014 176.600 0.022 0.000 0.982 211 E CA 0.872 57.272 56.400 -0.000 0.000 0.803 211 E CB -0.155 29.548 29.700 0.006 0.000 0.755 211 E HN 0.429 nan 8.360 nan 0.000 0.453 212 R N 0.991 121.504 120.500 0.021 0.000 2.081 212 R HA -0.061 4.279 4.340 0.000 0.000 0.235 212 R C 2.172 178.528 176.300 0.093 0.000 1.131 212 R CA 1.247 57.382 56.100 0.059 0.000 0.960 212 R CB -0.216 30.120 30.300 0.059 0.000 0.856 212 R HN 0.090 nan 8.270 nan 0.000 0.436 213 K N 0.994 121.393 120.400 -0.001 0.000 2.034 213 K HA -0.215 4.105 4.320 0.000 0.000 0.214 213 K C 2.060 178.743 176.600 0.138 0.000 1.051 213 K CA 1.747 57.984 56.287 -0.085 0.000 0.931 213 K CB -0.148 32.042 32.500 -0.517 0.000 0.715 213 K HN 0.158 nan 8.250 nan 0.000 0.446 214 K N 0.999 121.438 120.400 0.066 0.000 2.044 214 K HA -0.206 4.114 4.320 0.000 0.000 0.210 214 K C 2.132 178.846 176.600 0.191 0.000 1.049 214 K CA 1.805 58.163 56.287 0.119 0.000 0.927 214 K CB -0.123 32.408 32.500 0.052 0.000 0.713 214 K HN 0.261 nan 8.250 nan 0.000 0.443 215 E N 0.615 120.909 120.200 0.157 0.000 2.110 215 E HA -0.161 4.189 4.350 0.000 0.000 0.193 215 E C 2.044 178.764 176.600 0.200 0.000 0.988 215 E CA 1.025 57.519 56.400 0.157 0.000 0.804 215 E CB -0.106 29.668 29.700 0.123 0.000 0.745 215 E HN 0.282 nan 8.360 nan 0.000 0.458 216 I N 0.011 120.738 120.570 0.263 0.000 2.252 216 I HA -0.265 3.905 4.170 0.000 0.000 0.245 216 I C 2.262 178.537 176.117 0.263 0.000 1.102 216 I CA 0.990 62.470 61.300 0.299 0.000 1.385 216 I CB -0.197 38.049 38.000 0.410 0.000 1.064 216 I HN 0.120 nan 8.210 nan 0.000 0.414 217 Y N 1.866 122.313 120.300 0.244 0.000 2.181 217 Y HA -0.323 4.228 4.550 0.001 0.000 0.288 217 Y C 2.697 178.616 175.900 0.032 0.000 1.146 217 Y CA 2.145 60.323 58.100 0.131 0.000 1.164 217 Y CB -0.188 38.389 38.460 0.196 0.000 0.982 217 Y HN 0.258 nan 8.280 nan 0.000 0.515 218 E N -0.279 120.049 120.200 0.212 0.000 2.097 218 E HA -0.254 4.096 4.350 0.000 0.000 0.196 218 E C 1.922 178.536 176.600 0.024 0.000 1.000 218 E CA 1.686 58.155 56.400 0.116 0.000 0.804 218 E CB -0.449 29.335 29.700 0.139 0.000 0.740 218 E HN 0.405 nan 8.360 nan 0.000 0.454 219 L N 1.229 122.490 121.223 0.063 0.000 2.046 219 L HA -0.078 4.263 4.340 0.000 0.000 0.208 219 L C 2.708 179.492 176.870 -0.144 0.000 1.077 219 L CA 1.953 56.870 54.840 0.128 0.000 0.747 219 L CB -1.483 40.719 42.059 0.238 0.000 0.896 219 L HN 0.303 nan 8.230 nan 0.000 0.432 220 A N -0.713 121.740 122.820 -0.611 0.000 1.902 220 A HA -0.241 4.079 4.320 0.000 0.000 0.217 220 A C 2.539 179.596 177.584 -0.878 0.000 1.181 220 A CA 1.728 52.857 52.037 -1.513 0.000 0.623 220 A CB -0.530 17.728 19.000 -1.236 0.000 0.818 220 A HN 0.396 nan 8.150 nan 0.000 0.443 221 R N -0.083 120.071 120.500 -0.576 0.000 2.075 221 R HA -0.150 4.190 4.340 0.000 0.000 0.232 221 R C 2.229 178.404 176.300 -0.208 0.000 1.126 221 R CA 1.889 57.784 56.100 -0.341 0.000 0.963 221 R CB -0.266 29.908 30.300 -0.210 0.000 0.858 221 R HN 0.527 nan 8.270 nan 0.000 0.435 222 K N -0.582 119.732 120.400 -0.142 0.000 2.057 222 K HA -0.169 4.151 4.320 0.000 0.000 0.207 222 K C 0.814 177.256 176.600 -0.263 0.000 1.049 222 K CA 1.560 57.768 56.287 -0.131 0.000 0.931 222 K CB -0.020 32.481 32.500 0.002 0.000 0.714 222 K HN 0.284 nan 8.250 nan 0.000 0.440 223 Y N 0.503 120.763 120.300 -0.067 0.000 2.524 223 Y HA 0.120 4.670 4.550 -0.001 0.000 0.266 223 Y C -0.395 175.514 175.900 0.015 0.000 1.180 223 Y CA -0.227 57.902 58.100 0.047 0.000 1.244 223 Y CB 0.356 38.965 38.460 0.249 0.000 1.125 223 Y HN 0.202 nan 8.280 nan 0.000 0.524 224 D N 1.388 121.756 120.400 -0.053 0.000 2.810 224 D HA -0.248 4.393 4.640 0.000 0.000 0.224 224 D C -0.736 175.656 176.300 0.154 0.000 1.222 224 D CA 0.681 54.657 54.000 -0.040 0.000 0.698 224 D CB -1.149 39.660 40.800 0.015 0.000 0.961 224 D HN 0.367 nan 8.370 nan 0.000 0.403 225 F N -1.126 118.870 119.950 0.077 0.000 2.557 225 F HA 0.724 5.251 4.527 -0.000 0.000 0.336 225 F C -0.214 175.528 175.800 -0.097 0.000 1.058 225 F CA -1.725 56.323 58.000 0.081 0.000 0.988 225 F CB 0.491 39.520 39.000 0.049 0.000 1.275 225 F HN -0.165 nan 8.300 nan 0.000 0.488 226 L N 1.888 123.159 121.223 0.079 0.000 2.439 226 L HA 0.420 4.760 4.340 0.000 0.000 0.261 226 L C -0.193 176.759 176.870 0.137 0.000 1.153 226 L CA -0.757 54.028 54.840 -0.091 0.000 0.808 226 L CB 0.914 42.848 42.059 -0.208 0.000 1.126 226 L HN 0.576 nan 8.230 nan 0.000 0.460 227 I N 3.214 123.762 120.570 -0.038 0.000 2.339 227 I HA 0.302 4.472 4.170 0.000 0.000 0.290 227 I C -0.240 175.807 176.117 -0.117 0.000 0.994 227 I CA -0.606 60.638 61.300 -0.093 0.000 1.191 227 I CB 1.527 39.298 38.000 -0.383 0.000 1.343 227 I HN 0.415 nan 8.210 nan 0.000 0.458 228 I N 5.461 125.985 120.570 -0.076 0.000 2.297 228 I HA 0.294 4.464 4.170 0.000 0.000 0.291 228 I C -0.023 175.987 176.117 -0.178 0.000 1.033 228 I CA 0.247 61.477 61.300 -0.117 0.000 1.253 228 I CB 0.868 38.788 38.000 -0.135 0.000 1.396 228 I HN 0.596 nan 8.210 nan 0.000 0.476 229 E N 5.500 125.600 120.200 -0.167 0.000 1.986 229 E HA 0.135 4.485 4.350 0.000 0.000 0.264 229 E C -1.029 175.464 176.600 -0.179 0.000 1.023 229 E CA -0.510 55.810 56.400 -0.135 0.000 0.834 229 E CB 0.329 30.011 29.700 -0.029 0.000 1.111 229 E HN 0.688 nan 8.360 nan 0.000 0.417 230 D N 3.616 123.872 120.400 -0.240 0.000 2.411 230 D HA 0.080 4.720 4.640 0.000 0.000 0.225 230 D C -0.938 175.268 176.300 -0.157 0.000 1.156 230 D CA -0.245 53.647 54.000 -0.180 0.000 0.874 230 D CB 0.793 41.542 40.800 -0.086 0.000 1.034 230 D HN 0.237 nan 8.370 nan 0.000 0.502 231 D N 4.406 124.700 120.400 -0.178 0.000 2.886 231 D HA 0.184 4.824 4.640 0.000 0.000 0.355 231 D C -1.837 174.351 176.300 -0.187 0.000 1.274 231 D CA -1.572 52.344 54.000 -0.140 0.000 0.836 231 D CB 1.117 41.827 40.800 -0.150 0.000 1.109 231 D HN 0.269 nan 8.370 nan 0.000 0.488 232 P HA -0.053 nan 4.420 nan 0.000 0.233 232 P C 0.376 177.367 177.300 -0.515 0.000 1.167 232 P CA 0.500 63.331 63.100 -0.449 0.000 0.770 232 P CB 0.018 31.332 31.700 -0.642 0.000 0.837 233 Y N -3.066 117.202 120.300 -0.053 0.000 2.607 233 Y HA 0.193 4.743 4.550 0.000 0.000 0.266 233 Y C 2.054 177.880 175.900 -0.124 0.000 1.178 233 Y CA -0.940 57.099 58.100 -0.102 0.000 1.226 233 Y CB -1.007 37.361 38.460 -0.152 0.000 1.144 233 Y HN -0.153 nan 8.280 nan 0.000 0.528 234 Y N 0.071 120.277 120.300 -0.157 0.000 2.193 234 Y HA -0.269 4.281 4.550 0.000 0.000 0.285 234 Y C 1.016 176.723 175.900 -0.322 0.000 1.166 234 Y CA 1.641 59.566 58.100 -0.292 0.000 1.181 234 Y CB -0.499 37.672 38.460 -0.482 0.000 0.976 234 Y HN 0.157 nan 8.280 nan 0.000 0.520 235 F N -0.883 119.066 119.950 -0.002 0.000 2.693 235 F HA 0.149 4.676 4.527 0.000 0.000 0.303 235 F C 0.401 176.109 175.800 -0.154 0.000 1.143 235 F CA -0.099 57.852 58.000 -0.082 0.000 1.389 235 F CB 0.225 39.302 39.000 0.129 0.000 1.060 235 F HN -0.019 nan 8.300 nan 0.000 0.535 236 L N 0.544 121.711 121.223 -0.093 0.000 3.255 236 L HA 0.257 4.597 4.340 0.000 0.000 0.293 236 L C -0.052 176.536 176.870 -0.470 0.000 1.302 236 L CA 0.013 54.724 54.840 -0.216 0.000 0.977 236 L CB -0.049 41.876 42.059 -0.224 0.000 1.390 236 L HN 0.014 nan 8.230 nan 0.000 0.588 237 Q N -0.950 118.620 119.800 -0.383 0.000 2.288 237 Q HA 0.237 4.577 4.340 0.000 0.000 0.258 237 Q C 0.594 176.418 176.000 -0.294 0.000 0.957 237 Q CA -0.080 55.477 55.803 -0.410 0.000 0.919 237 Q CB 0.940 29.509 28.738 -0.281 0.000 1.185 237 Q HN 0.295 nan 8.270 nan 0.000 0.408 238 F N 0.129 120.079 119.950 0.000 0.000 2.206 238 F HA -0.112 4.415 4.527 0.000 0.000 0.298 238 F C 1.369 177.171 175.800 0.003 0.000 1.090 238 F CA -0.011 57.994 58.000 0.007 0.000 1.323 238 F CB 0.127 39.138 39.000 0.018 0.000 1.028 238 F HN 0.530 nan 8.300 nan 0.000 0.492 239 N N 1.843 120.639 118.700 0.160 0.000 2.452 239 N HA -0.035 4.705 4.740 0.000 0.000 0.266 239 N C 0.380 175.929 175.510 0.065 0.000 1.209 239 N CA 0.356 53.481 53.050 0.125 0.000 0.929 239 N CB 0.685 39.242 38.487 0.116 0.000 1.063 239 N HN 0.215 nan 8.380 nan 0.000 0.472 240 K N 2.719 123.141 120.400 0.037 0.000 2.444 240 K HA 0.056 4.376 4.320 0.000 0.000 0.193 240 K C -0.272 176.158 176.600 -0.283 0.000 1.024 240 K CA 0.303 56.516 56.287 -0.124 0.000 1.077 240 K CB 0.160 32.561 32.500 -0.164 0.000 0.833 240 K HN 0.419 nan 8.250 nan 0.000 0.517 241 F N 1.964 121.905 119.950 -0.016 0.000 2.375 241 F HA 0.227 4.754 4.527 0.000 0.000 0.362 241 F C 0.534 176.314 175.800 -0.034 0.000 1.129 241 F CA -0.749 57.241 58.000 -0.018 0.000 1.154 241 F CB 0.526 39.520 39.000 -0.010 0.000 1.205 241 F HN -0.310 nan 8.300 nan 0.000 0.513 242 R N 1.879 122.416 120.500 0.061 0.000 2.389 242 R HA 0.281 4.621 4.340 0.000 0.000 0.295 242 R C -0.303 176.030 176.300 0.054 0.000 1.075 242 R CA -0.585 55.507 56.100 -0.012 0.000 1.005 242 R CB 1.273 31.515 30.300 -0.097 0.000 0.987 242 R HN 0.523 nan 8.270 nan 0.000 0.452 243 V N 5.829 125.760 119.914 0.028 0.000 2.585 243 V HA 0.114 4.234 4.120 0.000 0.000 0.296 243 V C -2.014 174.110 176.094 0.049 0.000 1.035 243 V CA -1.587 60.727 62.300 0.024 0.000 1.084 243 V CB 0.620 32.433 31.823 -0.017 0.000 0.953 243 V HN 0.641 nan 8.190 nan 0.000 0.483 244 P HA 0.063 nan 4.420 nan 0.000 0.263 244 P C -0.218 177.038 177.300 -0.074 0.000 1.168 244 P CA 0.560 63.660 63.100 -0.001 0.000 0.759 244 P CB 0.102 31.774 31.700 -0.046 0.000 0.782 245 T N -0.284 114.243 114.554 -0.045 0.000 2.874 245 T HA 0.275 4.626 4.350 0.000 0.000 0.281 245 T C 1.009 175.584 174.700 -0.209 0.000 0.994 245 T CA -0.388 61.610 62.100 -0.169 0.000 1.015 245 T CB 0.228 68.930 68.868 -0.278 0.000 1.028 245 T HN 0.138 nan 8.240 nan 0.000 0.523 246 F N 0.085 119.976 119.950 -0.098 0.000 2.120 246 F HA -0.048 4.479 4.527 0.001 0.000 0.300 246 F C 2.263 177.988 175.800 -0.125 0.000 1.095 246 F CA 0.866 58.827 58.000 -0.065 0.000 1.249 246 F CB -0.438 38.566 39.000 0.006 0.000 0.995 246 F HN 0.426 nan 8.300 nan 0.000 0.480 247 L N 0.424 121.634 121.223 -0.023 0.000 2.079 247 L HA -0.219 4.121 4.340 0.000 0.000 0.210 247 L C 2.576 179.374 176.870 -0.121 0.000 1.081 247 L CA 2.096 56.861 54.840 -0.124 0.000 0.752 247 L CB -0.941 40.937 42.059 -0.302 0.000 0.896 247 L HN 0.181 nan 8.230 nan 0.000 0.433 248 S N -0.524 115.107 115.700 -0.114 0.000 2.447 248 S HA -0.191 4.279 4.470 0.000 0.000 0.233 248 S C 1.691 176.221 174.600 -0.117 0.000 1.006 248 S CA 1.090 59.254 58.200 -0.061 0.000 0.957 248 S CB -0.675 62.530 63.200 0.009 0.000 0.773 248 S HN 0.675 nan 8.310 nan 0.000 0.507 249 M N 0.030 119.516 119.600 -0.191 0.000 2.383 249 M HA 0.410 4.890 4.480 0.000 0.000 0.247 249 M C -0.071 175.913 176.300 -0.526 0.000 1.117 249 M CA -0.038 55.061 55.300 -0.334 0.000 0.995 249 M CB -0.289 32.076 32.600 -0.393 0.000 1.480 249 M HN -0.055 nan 8.290 nan 0.000 0.485 250 D N 2.243 122.472 120.400 -0.285 0.000 2.608 250 D HA 0.090 4.730 4.640 0.000 0.000 0.224 250 D C 1.022 177.329 176.300 0.013 0.000 1.123 250 D CA -0.077 53.858 54.000 -0.108 0.000 1.030 250 D CB 0.624 41.460 40.800 0.059 0.000 1.093 250 D HN 0.131 nan 8.370 nan 0.000 0.497 251 V N 2.247 122.175 119.914 0.023 0.000 2.667 251 V HA -0.125 3.995 4.120 0.000 0.000 0.252 251 V C 1.023 177.301 176.094 0.306 0.000 1.065 251 V CA 1.510 63.900 62.300 0.149 0.000 1.083 251 V CB -0.012 31.879 31.823 0.113 0.000 0.692 251 V HN 0.319 nan 8.190 nan 0.000 0.468 252 D N 0.768 121.371 120.400 0.338 0.000 2.277 252 D HA 0.133 4.773 4.640 0.000 0.000 0.208 252 D C 1.621 178.081 176.300 0.267 0.000 0.962 252 D CA 1.114 55.271 54.000 0.261 0.000 0.865 252 D CB -0.202 40.687 40.800 0.148 0.000 0.939 252 D HN 0.624 nan 8.370 nan 0.000 0.510 253 G N 1.765 110.723 108.800 0.264 0.000 2.248 253 G HA2 -0.327 3.633 3.960 0.000 0.000 0.263 253 G HA3 -0.327 3.633 3.960 0.000 0.000 0.263 253 G C 0.697 175.735 174.900 0.230 0.000 1.082 253 G CA 0.373 45.622 45.100 0.247 0.000 0.863 253 G HN 0.511 nan 8.290 nan 0.000 0.495 254 R N -1.463 119.118 120.500 0.135 0.000 2.472 254 R HA 0.519 4.859 4.340 0.000 0.000 0.279 254 R C 0.088 176.370 176.300 -0.031 0.000 0.953 254 R CA -0.235 55.867 56.100 0.004 0.000 1.088 254 R CB 0.681 30.897 30.300 -0.140 0.000 1.197 254 R HN 0.281 nan 8.270 nan 0.000 0.536 255 V N 2.338 122.270 119.914 0.030 0.000 2.427 255 V HA 0.390 4.510 4.120 0.000 0.000 0.286 255 V C -0.094 175.961 176.094 -0.065 0.000 1.034 255 V CA -0.675 61.618 62.300 -0.011 0.000 0.893 255 V CB 1.786 33.645 31.823 0.059 0.000 0.982 255 V HN 0.201 nan 8.190 nan 0.000 0.452 256 I N 5.510 126.018 120.570 -0.103 0.000 2.362 256 I HA 0.530 4.700 4.170 0.000 0.000 0.289 256 I C 0.129 176.159 176.117 -0.145 0.000 0.994 256 I CA -0.395 60.828 61.300 -0.128 0.000 1.158 256 I CB 1.338 39.247 38.000 -0.150 0.000 1.315 256 I HN 0.555 nan 8.210 nan 0.000 0.451 257 R N 5.878 126.283 120.500 -0.159 0.000 2.387 257 R HA 0.792 5.133 4.340 0.000 0.000 0.314 257 R C -1.186 174.973 176.300 -0.236 0.000 0.958 257 R CA -0.469 55.511 56.100 -0.201 0.000 0.846 257 R CB 1.577 31.732 30.300 -0.242 0.000 1.147 257 R HN 0.716 nan 8.270 nan 0.000 0.447 258 A N 4.405 127.069 122.820 -0.259 0.000 2.288 258 A HA 0.396 4.716 4.320 0.000 0.000 0.320 258 A C -1.017 176.320 177.584 -0.412 0.000 1.217 258 A CA -0.731 51.119 52.037 -0.312 0.000 0.840 258 A CB 0.930 19.784 19.000 -0.243 0.000 1.179 258 A HN 0.825 nan 8.150 nan 0.000 0.504 259 D N 0.741 120.745 120.400 -0.660 0.000 2.269 259 D HA 0.585 5.225 4.640 0.000 0.000 0.244 259 D C -0.776 175.077 176.300 -0.746 0.000 0.992 259 D CA 0.028 53.539 54.000 -0.815 0.000 0.894 259 D CB 2.143 42.034 40.800 -1.514 0.000 1.248 259 D HN 0.437 nan 8.370 nan 0.000 0.468 260 S N 0.558 116.007 115.700 -0.418 0.000 2.541 260 S HA 0.374 4.844 4.470 0.000 0.000 0.280 260 S C -0.500 174.142 174.600 0.071 0.000 1.112 260 S CA -0.561 57.516 58.200 -0.205 0.000 0.925 260 S CB 0.612 63.716 63.200 -0.160 0.000 1.067 260 S HN 0.247 nan 8.310 nan 0.000 0.479 261 F N 2.292 122.349 119.950 0.178 0.000 2.727 261 F HA 0.289 4.816 4.527 0.001 0.000 0.302 261 F C 2.278 178.166 175.800 0.146 0.000 1.097 261 F CA -0.145 57.989 58.000 0.224 0.000 1.330 261 F CB -0.513 38.624 39.000 0.229 0.000 1.084 261 F HN 0.508 nan 8.300 nan 0.000 0.578 262 S N -0.036 115.808 115.700 0.241 0.000 2.382 262 S HA -0.144 4.326 4.470 0.000 0.000 0.228 262 S C 2.106 176.792 174.600 0.143 0.000 1.027 262 S CA 1.208 59.498 58.200 0.150 0.000 0.991 262 S CB 0.019 63.257 63.200 0.063 0.000 0.823 262 S HN 0.181 nan 8.310 nan 0.000 0.469 263 K N 1.208 121.687 120.400 0.132 0.000 2.262 263 K HA 0.216 4.537 4.320 0.000 0.000 0.200 263 K C 1.827 178.528 176.600 0.169 0.000 1.049 263 K CA 0.576 56.931 56.287 0.113 0.000 0.979 263 K CB -0.347 32.169 32.500 0.026 0.000 0.773 263 K HN 0.616 nan 8.250 nan 0.000 0.474 264 I N -3.884 116.827 120.570 0.236 0.000 3.790 264 I HA 0.224 4.394 4.170 0.000 0.000 0.305 264 I C 1.654 177.972 176.117 0.336 0.000 1.253 264 I CA 0.279 61.738 61.300 0.265 0.000 1.355 264 I CB 0.189 38.340 38.000 0.251 0.000 1.137 264 I HN -0.179 nan 8.210 nan 0.000 0.435 265 I N -0.744 119.969 120.570 0.239 0.000 3.873 265 I HA 0.230 4.400 4.170 0.000 0.000 0.284 265 I C 0.424 176.593 176.117 0.087 0.000 1.186 265 I CA 0.199 61.565 61.300 0.110 0.000 1.362 265 I CB 1.075 39.012 38.000 -0.105 0.000 1.432 265 I HN 0.178 nan 8.210 nan 0.000 0.454 266 S N -0.624 115.154 115.700 0.132 0.000 2.581 266 S HA 0.135 4.605 4.470 0.000 0.000 0.306 266 S C 0.509 175.186 174.600 0.127 0.000 1.080 266 S CA -0.062 58.202 58.200 0.106 0.000 0.925 266 S CB 0.784 64.023 63.200 0.065 0.000 1.128 266 S HN 0.246 nan 8.310 nan 0.000 0.451 267 S N 3.411 119.176 115.700 0.108 0.000 2.395 267 S HA 0.098 4.568 4.470 0.000 0.000 0.225 267 S C 1.932 176.578 174.600 0.077 0.000 1.027 267 S CA 1.011 59.268 58.200 0.095 0.000 0.965 267 S CB -0.726 62.530 63.200 0.093 0.000 0.812 267 S HN 1.063 nan 8.310 nan 0.000 0.482 268 G N 1.435 110.274 108.800 0.064 0.000 2.572 268 G HA2 0.155 4.115 3.960 0.000 0.000 0.216 268 G HA3 0.155 4.115 3.960 0.000 0.000 0.216 268 G C 1.301 176.225 174.900 0.040 0.000 1.133 268 G CA 0.195 45.322 45.100 0.045 0.000 0.791 268 G HN 0.494 nan 8.290 nan 0.000 0.538 269 L N -0.582 120.674 121.223 0.055 0.000 2.376 269 L HA 0.113 4.453 4.340 0.000 0.000 0.219 269 L C 0.788 177.700 176.870 0.071 0.000 1.133 269 L CA -0.187 54.691 54.840 0.062 0.000 0.816 269 L CB -0.121 41.984 42.059 0.077 0.000 0.933 269 L HN 0.053 nan 8.230 nan 0.000 0.449 270 R N 0.996 121.540 120.500 0.073 0.000 3.152 270 R HA -0.141 4.199 4.340 0.000 0.000 0.252 270 R C -1.021 175.329 176.300 0.083 0.000 0.930 270 R CA 0.568 56.706 56.100 0.064 0.000 0.642 270 R CB -2.284 28.040 30.300 0.040 0.000 1.205 270 R HN 0.159 nan 8.270 nan 0.000 0.452 271 I N -0.244 120.399 120.570 0.122 0.000 2.468 271 I HA 0.585 4.755 4.170 0.000 0.000 0.285 271 I C 1.103 177.313 176.117 0.156 0.000 1.039 271 I CA -0.417 60.975 61.300 0.155 0.000 1.074 271 I CB 1.777 39.908 38.000 0.219 0.000 1.228 271 I HN 0.358 nan 8.210 nan 0.000 0.436 272 G N 5.480 114.336 108.800 0.093 0.000 3.022 272 G HA2 0.879 4.839 3.960 0.000 0.000 0.284 272 G HA3 0.879 4.839 3.960 0.000 0.000 0.284 272 G C -1.622 173.351 174.900 0.121 0.000 1.375 272 G CA -0.499 44.599 45.100 -0.004 0.000 0.902 272 G HN 0.388 nan 8.290 nan 0.000 0.538 273 F N -2.188 117.657 119.950 -0.175 0.000 2.654 273 F HA 0.805 5.333 4.527 0.000 0.000 0.308 273 F C -1.696 174.028 175.800 -0.128 0.000 1.108 273 F CA -1.579 56.340 58.000 -0.135 0.000 0.957 273 F CB 1.807 40.727 39.000 -0.133 0.000 1.309 273 F HN 0.515 nan 8.300 nan 0.000 0.446 274 L N 1.716 122.962 121.223 0.038 0.000 2.381 274 L HA 0.835 5.176 4.340 0.000 0.000 0.274 274 L C -0.925 175.942 176.870 -0.005 0.000 0.988 274 L CA 0.016 54.818 54.840 -0.064 0.000 0.824 274 L CB 2.217 44.226 42.059 -0.084 0.000 1.263 274 L HN 0.860 nan 8.230 nan 0.000 0.410 275 T N 3.553 118.078 114.554 -0.049 0.000 2.824 275 T HA 0.924 5.274 4.350 0.000 0.000 0.282 275 T C -0.189 174.461 174.700 -0.082 0.000 0.993 275 T CA -0.278 61.800 62.100 -0.035 0.000 0.967 275 T CB 1.553 70.412 68.868 -0.015 0.000 0.960 275 T HN 0.964 nan 8.240 nan 0.000 0.441 276 G N 2.955 111.707 108.800 -0.080 0.000 2.342 276 G HA2 0.544 4.504 3.960 0.000 0.000 0.297 276 G HA3 0.544 4.504 3.960 0.000 0.000 0.297 276 G C -3.438 171.395 174.900 -0.111 0.000 1.313 276 G CA -0.990 44.051 45.100 -0.098 0.000 0.830 276 G HN 0.432 nan 8.290 nan 0.000 0.506 277 P HA 0.179 nan 4.420 nan 0.000 0.264 277 P C 0.671 177.826 177.300 -0.241 0.000 1.193 277 P CA -0.058 62.915 63.100 -0.212 0.000 0.763 277 P CB 1.338 32.783 31.700 -0.426 0.000 0.810 278 K N 7.011 127.318 120.400 -0.155 0.000 2.089 278 K HA -0.191 4.129 4.320 0.000 0.000 0.210 278 K C -1.009 175.507 176.600 -0.139 0.000 1.048 278 K CA 2.403 58.625 56.287 -0.108 0.000 0.926 278 K CB -1.789 30.684 32.500 -0.044 0.000 0.714 278 K HN 0.321 nan 8.250 nan 0.000 0.448 279 P HA -0.147 nan 4.420 nan 0.000 0.218 279 P C 0.918 178.122 177.300 -0.160 0.000 1.148 279 P CA 0.967 63.963 63.100 -0.174 0.000 0.822 279 P CB 0.076 31.650 31.700 -0.211 0.000 0.784 280 L N -1.455 119.620 121.223 -0.247 0.000 2.162 280 L HA -0.013 4.328 4.340 0.000 0.000 0.205 280 L C 2.312 179.129 176.870 -0.088 0.000 1.086 280 L CA 1.186 55.945 54.840 -0.134 0.000 0.778 280 L CB -1.626 40.341 42.059 -0.153 0.000 0.928 280 L HN -0.027 nan 8.230 nan 0.000 0.446 281 I N 0.329 120.837 120.570 -0.103 0.000 2.208 281 I HA -0.311 3.860 4.170 0.000 0.000 0.245 281 I C 2.535 178.629 176.117 -0.037 0.000 1.097 281 I CA 1.291 62.551 61.300 -0.065 0.000 1.363 281 I CB -0.788 37.174 38.000 -0.063 0.000 1.051 281 I HN 0.476 nan 8.210 nan 0.000 0.413 282 E N 0.720 120.896 120.200 -0.039 0.000 2.085 282 E HA -0.270 4.080 4.350 0.000 0.000 0.194 282 E C 2.249 178.850 176.600 0.002 0.000 0.994 282 E CA 1.319 57.710 56.400 -0.016 0.000 0.801 282 E CB 0.105 29.795 29.700 -0.017 0.000 0.743 282 E HN 0.192 nan 8.360 nan 0.000 0.453 283 R N 0.233 120.734 120.500 0.002 0.000 2.092 283 R HA -0.074 4.266 4.340 0.000 0.000 0.231 283 R C 2.353 178.682 176.300 0.049 0.000 1.119 283 R CA 1.043 57.158 56.100 0.025 0.000 0.970 283 R CB -1.239 29.080 30.300 0.031 0.000 0.864 283 R HN 0.292 nan 8.270 nan 0.000 0.440 284 V N 0.116 120.049 119.914 0.031 0.000 2.453 284 V HA -0.105 4.015 4.120 0.000 0.000 0.247 284 V C 1.884 178.004 176.094 0.043 0.000 1.048 284 V CA 1.292 63.616 62.300 0.040 0.000 1.049 284 V CB -0.235 31.579 31.823 -0.015 0.000 0.672 284 V HN 0.227 nan 8.190 nan 0.000 0.457 285 I N 0.175 120.760 120.570 0.025 0.000 2.151 285 I HA -0.296 3.874 4.170 0.000 0.000 0.243 285 I C 2.493 178.639 176.117 0.050 0.000 1.080 285 I CA 2.257 63.575 61.300 0.030 0.000 1.339 285 I CB -0.393 37.619 38.000 0.019 0.000 1.039 285 I HN 0.312 nan 8.210 nan 0.000 0.409 286 L N -0.672 120.583 121.223 0.053 0.000 2.083 286 L HA -0.259 4.081 4.340 0.000 0.000 0.209 286 L C 2.614 179.544 176.870 0.100 0.000 1.083 286 L CA 1.550 56.423 54.840 0.055 0.000 0.752 286 L CB -0.881 41.198 42.059 0.032 0.000 0.899 286 L HN 0.384 nan 8.230 nan 0.000 0.433 287 H N 0.194 119.264 119.070 0.001 0.000 2.357 287 H HA -0.119 4.437 4.556 0.000 0.000 0.301 287 H C 2.452 177.780 175.328 0.001 0.000 1.082 287 H CA 1.232 57.281 56.048 0.001 0.000 1.342 287 H CB 0.258 30.020 29.762 -0.001 0.000 1.389 287 H HN 0.195 nan 8.280 nan 0.000 0.511 288 I N 0.925 121.554 120.570 0.098 0.000 2.208 288 I HA -0.332 3.839 4.170 0.000 0.000 0.245 288 I C 2.374 178.523 176.117 0.054 0.000 1.097 288 I CA 1.403 62.720 61.300 0.029 0.000 1.363 288 I CB -0.352 37.655 38.000 0.012 0.000 1.051 288 I HN 0.453 nan 8.210 nan 0.000 0.413 289 Q N 0.133 119.971 119.800 0.063 0.000 2.181 289 Q HA -0.179 4.161 4.340 0.000 0.000 0.205 289 Q C 2.035 178.062 176.000 0.044 0.000 0.980 289 Q CA 1.901 57.733 55.803 0.049 0.000 0.862 289 Q CB -0.219 28.540 28.738 0.036 0.000 0.905 289 Q HN 0.652 nan 8.270 nan 0.000 0.429 290 V N -2.779 117.176 119.914 0.068 0.000 3.647 290 V HA 0.130 4.251 4.120 0.000 0.000 0.279 290 V C 1.246 177.384 176.094 0.074 0.000 1.314 290 V CA 0.685 63.023 62.300 0.063 0.000 1.125 290 V CB 0.214 32.071 31.823 0.056 0.000 0.907 290 V HN 0.257 nan 8.190 nan 0.000 0.434 291 S N 1.252 116.993 115.700 0.068 0.000 3.316 291 S HA 0.026 4.496 4.470 0.000 0.000 0.174 291 S C 1.785 176.388 174.600 0.005 0.000 0.734 291 S CA 0.907 59.131 58.200 0.040 0.000 0.861 291 S CB -0.133 63.081 63.200 0.022 0.000 1.009 291 S HN 0.584 nan 8.310 nan 0.000 0.728 292 T N 0.521 115.063 114.554 -0.020 0.000 3.035 292 T HA 0.290 4.640 4.350 0.000 0.000 0.268 292 T C 1.392 176.051 174.700 -0.068 0.000 1.109 292 T CA 0.969 63.041 62.100 -0.046 0.000 1.119 292 T CB -0.836 67.998 68.868 -0.058 0.000 0.900 292 T HN 0.599 nan 8.240 nan 0.000 0.503 293 L N -0.338 120.878 121.223 -0.012 0.000 2.824 293 L HA -0.253 4.087 4.340 0.000 0.000 0.395 293 L C 0.630 177.580 176.870 0.134 0.000 1.064 293 L CA 2.014 56.879 54.840 0.041 0.000 3.242 293 L CB -1.952 40.141 42.059 0.058 0.000 0.821 293 L HN 0.912 nan 8.230 nan 0.000 0.792 294 H N -2.783 116.323 119.070 0.060 0.000 3.005 294 H HA 0.448 5.004 4.556 0.000 0.000 0.311 294 H C -3.229 172.132 175.328 0.056 0.000 1.366 294 H CA -1.412 54.670 56.048 0.057 0.000 1.210 294 H CB 1.445 31.252 29.762 0.075 0.000 1.894 294 H HN -0.166 nan 8.280 nan 0.000 0.520 295 P HA 0.036 nan 4.420 nan 0.000 0.274 295 P C 0.049 177.480 177.300 0.219 0.000 1.231 295 P CA -0.259 62.917 63.100 0.127 0.000 0.790 295 P CB 0.683 32.457 31.700 0.122 0.000 0.951 296 S N 0.734 116.508 115.700 0.122 0.000 2.673 296 S HA -0.074 4.396 4.470 0.000 0.000 0.308 296 S C 1.558 176.285 174.600 0.211 0.000 1.246 296 S CA 0.695 58.985 58.200 0.150 0.000 1.077 296 S CB -0.469 62.791 63.200 0.100 0.000 0.814 296 S HN 0.647 nan 8.310 nan 0.000 0.503 297 T N 4.633 119.334 114.554 0.244 0.000 2.951 297 T HA -0.084 4.266 4.350 0.000 0.000 0.268 297 T C 1.367 176.126 174.700 0.098 0.000 1.073 297 T CA 1.272 63.448 62.100 0.127 0.000 1.134 297 T CB -0.525 68.360 68.868 0.028 0.000 0.884 297 T HN 0.695 nan 8.240 nan 0.000 0.479 298 F N 2.548 122.507 119.950 0.016 0.000 2.069 298 F HA -0.068 4.459 4.527 0.000 0.000 0.298 298 F C 2.036 177.898 175.800 0.103 0.000 1.113 298 F CA 2.174 60.209 58.000 0.059 0.000 1.214 298 F CB -0.505 38.521 39.000 0.043 0.000 0.978 298 F HN 0.333 nan 8.300 nan 0.000 0.474 299 N N -0.847 118.053 118.700 0.332 0.000 2.216 299 N HA -0.158 4.582 4.740 0.000 0.000 0.183 299 N C 1.757 177.336 175.510 0.116 0.000 1.017 299 N CA 0.827 54.012 53.050 0.224 0.000 0.861 299 N CB -0.217 38.369 38.487 0.166 0.000 0.986 299 N HN 0.448 nan 8.380 nan 0.000 0.428 300 Q N 0.457 120.314 119.800 0.095 0.000 2.061 300 Q HA -0.132 4.208 4.340 0.000 0.000 0.204 300 Q C 1.799 177.791 176.000 -0.013 0.000 0.984 300 Q CA 1.008 56.839 55.803 0.046 0.000 0.846 300 Q CB -0.005 28.759 28.738 0.044 0.000 0.902 300 Q HN 0.271 nan 8.270 nan 0.000 0.421 301 L N 0.179 121.369 121.223 -0.054 0.000 2.046 301 L HA -0.178 4.162 4.340 0.000 0.000 0.208 301 L C 2.209 179.085 176.870 0.010 0.000 1.077 301 L CA 1.684 56.449 54.840 -0.126 0.000 0.747 301 L CB -0.941 40.872 42.059 -0.410 0.000 0.896 301 L HN 0.357 nan 8.230 nan 0.000 0.432 302 M N -1.262 118.397 119.600 0.098 0.000 2.065 302 M HA -0.270 4.211 4.480 0.000 0.000 0.259 302 M C 2.277 178.502 176.300 -0.125 0.000 1.069 302 M CA 1.908 57.207 55.300 -0.003 0.000 1.110 302 M CB -0.479 32.104 32.600 -0.029 0.000 1.328 302 M HN 0.135 nan 8.290 nan 0.000 0.405 303 I N -0.824 119.677 120.570 -0.114 0.000 2.202 303 I HA -0.259 3.911 4.170 0.000 0.000 0.242 303 I C 2.769 178.719 176.117 -0.278 0.000 1.091 303 I CA 1.200 62.373 61.300 -0.211 0.000 1.368 303 I CB -0.444 37.488 38.000 -0.115 0.000 1.058 303 I HN 0.302 nan 8.210 nan 0.000 0.410 304 S N 0.198 115.796 115.700 -0.171 0.000 2.370 304 S HA -0.246 4.225 4.470 0.000 0.000 0.226 304 S C 2.028 176.565 174.600 -0.106 0.000 1.033 304 S CA 1.587 59.708 58.200 -0.131 0.000 1.011 304 S CB -0.165 63.002 63.200 -0.056 0.000 0.852 304 S HN 0.442 nan 8.310 nan 0.000 0.457 305 Q N -0.070 119.645 119.800 -0.142 0.000 2.123 305 Q HA -0.038 4.302 4.340 0.000 0.000 0.199 305 Q C 2.244 178.103 176.000 -0.235 0.000 0.966 305 Q CA 1.302 57.023 55.803 -0.137 0.000 0.845 305 Q CB -0.285 28.407 28.738 -0.077 0.000 0.907 305 Q HN 0.539 nan 8.270 nan 0.000 0.439 306 L N 0.379 121.372 121.223 -0.383 0.000 1.994 306 L HA -0.202 4.138 4.340 0.000 0.000 0.208 306 L C 1.907 178.366 176.870 -0.684 0.000 1.071 306 L CA 1.439 55.885 54.840 -0.656 0.000 0.745 306 L CB -0.366 41.213 42.059 -0.799 0.000 0.892 306 L HN 0.145 nan 8.230 nan 0.000 0.431 307 L N -0.460 120.378 121.223 -0.643 0.000 2.046 307 L HA -0.212 4.129 4.340 0.000 0.000 0.208 307 L C 2.708 179.254 176.870 -0.539 0.000 1.077 307 L CA 1.753 56.102 54.840 -0.819 0.000 0.747 307 L CB -1.602 39.469 42.059 -1.646 0.000 0.896 307 L HN 0.432 nan 8.230 nan 0.000 0.432 308 H N -1.146 117.683 119.070 -0.401 0.000 2.357 308 H HA -0.137 4.419 4.556 0.000 0.000 0.301 308 H C 2.081 177.428 175.328 0.031 0.000 1.082 308 H CA 1.488 57.500 56.048 -0.060 0.000 1.342 308 H CB 0.346 30.076 29.762 -0.052 0.000 1.389 308 H HN 0.296 nan 8.280 nan 0.000 0.511 309 E N 0.108 120.336 120.200 0.048 0.000 2.106 309 E HA -0.133 4.217 4.350 0.000 0.000 0.192 309 E C 1.964 178.672 176.600 0.180 0.000 0.984 309 E CA 0.567 57.002 56.400 0.058 0.000 0.806 309 E CB -0.108 29.566 29.700 -0.043 0.000 0.750 309 E HN 0.365 nan 8.360 nan 0.000 0.458 310 W N 0.606 121.904 121.300 -0.004 0.000 2.388 310 W HA 0.192 4.852 4.660 0.000 0.000 0.294 310 W C 1.222 177.806 176.519 0.108 0.000 1.212 310 W CA 1.683 59.047 57.345 0.032 0.000 1.271 310 W CB -0.952 28.516 29.460 0.013 0.000 1.126 310 W HN 0.190 nan 8.180 nan 0.000 0.535 311 G N 0.055 109.100 108.800 0.409 0.000 2.877 311 G HA2 -0.350 3.610 3.960 0.000 0.000 0.279 311 G HA3 -0.350 3.610 3.960 0.000 0.000 0.279 311 G C 0.582 175.772 174.900 0.483 0.000 1.431 311 G CA 0.146 45.487 45.100 0.401 0.000 0.883 311 G HN 0.238 nan 8.290 nan 0.000 0.547 312 E N -0.370 120.027 120.200 0.329 0.000 2.118 312 E HA -0.141 4.209 4.350 0.000 0.000 0.195 312 E C 2.293 179.035 176.600 0.236 0.000 0.992 312 E CA 1.597 58.155 56.400 0.264 0.000 0.804 312 E CB -0.034 29.672 29.700 0.010 0.000 0.741 312 E HN 0.637 nan 8.360 nan 0.000 0.458 313 E N -0.591 119.692 120.200 0.139 0.000 2.051 313 E HA -0.158 4.192 4.350 0.000 0.000 0.192 313 E C 2.092 178.683 176.600 -0.016 0.000 0.991 313 E CA 1.142 57.574 56.400 0.054 0.000 0.799 313 E CB -0.161 29.560 29.700 0.034 0.000 0.748 313 E HN 0.312 nan 8.360 nan 0.000 0.449 314 G N 0.196 109.000 108.800 0.006 0.000 2.408 314 G HA2 -0.271 3.689 3.960 0.000 0.000 0.217 314 G HA3 -0.271 3.689 3.960 0.000 0.000 0.217 314 G C 1.319 175.878 174.900 -0.568 0.000 1.150 314 G CA 0.567 45.489 45.100 -0.295 0.000 0.776 314 G HN 0.339 nan 8.290 nan 0.000 0.542 315 F N 1.190 121.038 119.950 -0.171 0.000 2.113 315 F HA -0.003 4.525 4.527 0.000 0.000 0.297 315 F C 2.555 178.253 175.800 -0.171 0.000 1.103 315 F CA 1.433 59.376 58.000 -0.094 0.000 1.248 315 F CB -0.014 39.152 39.000 0.276 0.000 0.999 315 F HN -0.011 nan 8.300 nan 0.000 0.475 316 M N 0.499 119.960 119.600 -0.231 0.000 2.229 316 M HA -0.037 4.443 4.480 0.000 0.000 0.264 316 M C 2.498 178.613 176.300 -0.309 0.000 1.063 316 M CA 1.359 56.486 55.300 -0.288 0.000 1.114 316 M CB -2.051 30.523 32.600 -0.044 0.000 1.387 316 M HN 0.341 nan 8.290 nan 0.000 0.420 317 A N -0.508 122.135 122.820 -0.295 0.000 1.883 317 A HA -0.242 4.078 4.320 0.000 0.000 0.217 317 A C 2.063 179.443 177.584 -0.340 0.000 1.186 317 A CA 2.334 54.202 52.037 -0.282 0.000 0.624 317 A CB -1.144 17.691 19.000 -0.275 0.000 0.822 317 A HN 0.591 nan 8.150 nan 0.000 0.444 318 H N -0.191 118.506 119.070 -0.621 0.000 2.321 318 H HA -0.097 4.459 4.556 0.000 0.000 0.300 318 H C 2.012 177.098 175.328 -0.404 0.000 1.087 318 H CA 2.406 58.099 56.048 -0.590 0.000 1.319 318 H CB -0.369 28.814 29.762 -0.965 0.000 1.379 318 H HN 0.258 nan 8.280 nan 0.000 0.501 319 V N 0.271 119.824 119.914 -0.603 0.000 2.490 319 V HA -0.190 3.930 4.120 0.000 0.000 0.250 319 V C 1.716 177.644 176.094 -0.276 0.000 1.061 319 V CA 2.442 64.450 62.300 -0.486 0.000 1.064 319 V CB -0.414 31.119 31.823 -0.484 0.000 0.670 319 V HN 0.403 nan 8.190 nan 0.000 0.461 320 D N 0.417 120.672 120.400 -0.241 0.000 2.092 320 D HA -0.150 4.491 4.640 0.000 0.000 0.193 320 D C 2.434 178.669 176.300 -0.107 0.000 0.994 320 D CA 1.879 55.792 54.000 -0.144 0.000 0.828 320 D CB -0.307 40.408 40.800 -0.141 0.000 0.963 320 D HN 0.515 nan 8.370 nan 0.000 0.450 321 R N 0.315 120.722 120.500 -0.155 0.000 2.073 321 R HA -0.086 4.254 4.340 0.000 0.000 0.234 321 R C 2.406 178.685 176.300 -0.035 0.000 1.134 321 R CA 0.874 56.917 56.100 -0.094 0.000 0.952 321 R CB -0.691 29.541 30.300 -0.113 0.000 0.850 321 R HN 0.130 nan 8.270 nan 0.000 0.433 322 V N 1.367 121.198 119.914 -0.137 0.000 2.343 322 V HA -0.198 3.922 4.120 0.000 0.000 0.247 322 V C 2.001 178.272 176.094 0.295 0.000 1.051 322 V CA 1.595 63.932 62.300 0.062 0.000 1.036 322 V CB -0.251 31.538 31.823 -0.056 0.000 0.654 322 V HN 0.251 nan 8.190 nan 0.000 0.451 323 I N 0.535 121.196 120.570 0.153 0.000 2.151 323 I HA -0.250 3.920 4.170 0.000 0.000 0.243 323 I C 2.401 178.687 176.117 0.281 0.000 1.080 323 I CA 2.228 63.669 61.300 0.235 0.000 1.339 323 I CB -0.643 37.423 38.000 0.110 0.000 1.039 323 I HN 0.334 nan 8.210 nan 0.000 0.409 324 D N 0.414 120.910 120.400 0.160 0.000 2.123 324 D HA -0.227 4.413 4.640 0.000 0.000 0.196 324 D C 1.921 178.294 176.300 0.122 0.000 0.992 324 D CA 1.295 55.359 54.000 0.107 0.000 0.833 324 D CB -0.401 40.431 40.800 0.053 0.000 0.954 324 D HN 0.295 nan 8.370 nan 0.000 0.455 325 F N 0.291 120.273 119.950 0.054 0.000 2.102 325 F HA -0.256 4.272 4.527 0.000 0.000 0.298 325 F C 2.093 177.901 175.800 0.013 0.000 1.105 325 F CA 1.426 59.426 58.000 -0.001 0.000 1.239 325 F CB -0.475 38.493 39.000 -0.053 0.000 0.991 325 F HN -0.052 nan 8.300 nan 0.000 0.474 326 Y N -0.736 119.651 120.300 0.146 0.000 2.373 326 Y HA -0.123 4.427 4.550 0.000 0.000 0.293 326 Y C 2.931 178.814 175.900 -0.028 0.000 1.129 326 Y CA 1.446 59.653 58.100 0.177 0.000 1.226 326 Y CB -0.765 38.000 38.460 0.508 0.000 1.000 326 Y HN 0.143 nan 8.280 nan 0.000 0.549 327 S N 0.113 115.828 115.700 0.026 0.000 2.368 327 S HA -0.206 4.265 4.470 0.000 0.000 0.225 327 S C 1.735 176.078 174.600 -0.427 0.000 1.030 327 S CA 1.861 59.796 58.200 -0.442 0.000 0.999 327 S CB -0.384 62.707 63.200 -0.182 0.000 0.844 327 S HN 0.575 nan 8.310 nan 0.000 0.459 328 N N 0.277 118.784 118.700 -0.322 0.000 2.188 328 N HA -0.041 4.699 4.740 0.000 0.000 0.184 328 N C 2.078 177.347 175.510 -0.402 0.000 1.018 328 N CA 1.138 53.990 53.050 -0.330 0.000 0.858 328 N CB -0.045 38.281 38.487 -0.269 0.000 0.989 328 N HN 0.366 nan 8.380 nan 0.000 0.426 329 Q N 1.102 120.603 119.800 -0.498 0.000 2.050 329 Q HA -0.190 4.151 4.340 0.000 0.000 0.202 329 Q C 1.915 177.593 176.000 -0.537 0.000 0.980 329 Q CA 1.125 56.689 55.803 -0.399 0.000 0.840 329 Q CB -0.395 28.186 28.738 -0.260 0.000 0.898 329 Q HN 0.425 nan 8.270 nan 0.000 0.424 330 K N 0.883 120.755 120.400 -0.881 0.000 2.044 330 K HA -0.221 4.099 4.320 0.000 0.000 0.210 330 K C 1.333 177.526 176.600 -0.679 0.000 1.049 330 K CA 1.846 57.376 56.287 -1.261 0.000 0.927 330 K CB -0.012 31.700 32.500 -1.314 0.000 0.713 330 K HN 0.059 nan 8.250 nan 0.000 0.443 331 D N 0.233 120.331 120.400 -0.502 0.000 2.117 331 D HA -0.129 4.511 4.640 0.000 0.000 0.197 331 D C 1.804 177.935 176.300 -0.281 0.000 0.987 331 D CA 1.418 55.219 54.000 -0.332 0.000 0.829 331 D CB -0.210 40.431 40.800 -0.266 0.000 0.961 331 D HN 0.412 nan 8.370 nan 0.000 0.460 332 A N 0.653 123.301 122.820 -0.286 0.000 1.898 332 A HA -0.078 4.242 4.320 0.000 0.000 0.216 332 A C 2.304 179.736 177.584 -0.253 0.000 1.181 332 A CA 0.671 52.574 52.037 -0.224 0.000 0.620 332 A CB -0.621 18.268 19.000 -0.185 0.000 0.819 332 A HN 0.249 nan 8.150 nan 0.000 0.442 333 I N -0.998 119.391 120.570 -0.302 0.000 2.439 333 I HA -0.147 4.023 4.170 0.000 0.000 0.251 333 I C 1.971 177.799 176.117 -0.481 0.000 1.139 333 I CA 0.668 61.759 61.300 -0.348 0.000 1.438 333 I CB 0.035 37.937 38.000 -0.163 0.000 1.085 333 I HN 0.194 nan 8.210 nan 0.000 0.427 334 L N 0.915 121.914 121.223 -0.374 0.000 2.046 334 L HA -0.150 4.190 4.340 0.000 0.000 0.208 334 L C 2.704 179.433 176.870 -0.236 0.000 1.077 334 L CA 2.160 56.834 54.840 -0.276 0.000 0.747 334 L CB -1.605 40.369 42.059 -0.142 0.000 0.896 334 L HN 0.266 nan 8.230 nan 0.000 0.432 335 A N -0.903 121.783 122.820 -0.224 0.000 1.933 335 A HA -0.128 4.193 4.320 0.000 0.000 0.218 335 A C 2.478 179.931 177.584 -0.218 0.000 1.175 335 A CA 1.744 53.676 52.037 -0.176 0.000 0.628 335 A CB -0.761 18.148 19.000 -0.152 0.000 0.814 335 A HN 0.403 nan 8.150 nan 0.000 0.444 336 A N -0.146 122.481 122.820 -0.322 0.000 1.898 336 A HA 0.195 4.515 4.320 0.000 0.000 0.216 336 A C 2.511 179.820 177.584 -0.458 0.000 1.181 336 A CA 1.994 53.831 52.037 -0.334 0.000 0.620 336 A CB -1.020 17.697 19.000 -0.471 0.000 0.819 336 A HN 1.032 nan 8.150 nan 0.000 0.442 337 A N -0.023 122.292 122.820 -0.843 0.000 1.902 337 A HA -0.198 4.122 4.320 0.000 0.000 0.217 337 A C 1.809 179.273 177.584 -0.200 0.000 1.181 337 A CA 1.937 53.512 52.037 -0.769 0.000 0.623 337 A CB -0.594 17.520 19.000 -1.476 0.000 0.818 337 A HN 0.451 nan 8.150 nan 0.000 0.443 338 D N -0.632 119.752 120.400 -0.026 0.000 2.117 338 D HA -0.133 4.507 4.640 0.000 0.000 0.198 338 D C 1.906 178.210 176.300 0.005 0.000 0.982 338 D CA 1.488 55.590 54.000 0.169 0.000 0.828 338 D CB -0.216 40.645 40.800 0.101 0.000 0.967 338 D HN 0.595 nan 8.370 nan 0.000 0.464 339 K N -0.753 119.560 120.400 -0.146 0.000 2.032 339 K HA -0.165 4.155 4.320 0.000 0.000 0.209 339 K C 1.718 178.038 176.600 -0.467 0.000 1.048 339 K CA 1.374 57.429 56.287 -0.386 0.000 0.927 339 K CB -0.042 32.125 32.500 -0.554 0.000 0.712 339 K HN 0.185 nan 8.250 nan 0.000 0.441 340 W N -1.201 120.121 121.300 0.037 0.000 2.842 340 W HA 0.175 4.835 4.660 0.000 0.000 0.267 340 W C 1.115 177.701 176.519 0.112 0.000 1.219 340 W CA -0.631 56.761 57.345 0.077 0.000 1.458 340 W CB 0.441 29.967 29.460 0.110 0.000 1.006 340 W HN -0.005 nan 8.180 nan 0.000 0.603 341 L N 0.477 121.912 121.223 0.353 0.000 2.640 341 L HA 0.185 4.525 4.340 0.000 0.000 0.230 341 L C 1.221 178.318 176.870 0.379 0.000 1.123 341 L CA 0.661 55.714 54.840 0.355 0.000 0.900 341 L CB -1.192 41.065 42.059 0.328 0.000 1.146 341 L HN -0.210 nan 8.230 nan 0.000 0.484 342 T N -2.358 112.383 114.554 0.313 0.000 2.928 342 T HA 0.388 4.739 4.350 0.000 0.000 0.305 342 T C 1.428 176.198 174.700 0.117 0.000 1.035 342 T CA 0.280 62.504 62.100 0.207 0.000 1.145 342 T CB 0.899 69.832 68.868 0.109 0.000 0.963 342 T HN 0.490 nan 8.240 nan 0.000 0.545 343 G N 2.431 111.267 108.800 0.059 0.000 2.267 343 G HA2 -0.260 3.700 3.960 0.000 0.000 0.257 343 G HA3 -0.260 3.700 3.960 0.000 0.000 0.257 343 G C 0.629 175.558 174.900 0.050 0.000 0.998 343 G CA 0.385 45.505 45.100 0.034 0.000 0.620 343 G HN 0.744 nan 8.290 nan 0.000 0.529 344 L N -0.077 121.207 121.223 0.102 0.000 2.609 344 L HA 0.683 5.023 4.340 0.000 0.000 0.230 344 L C 1.142 178.074 176.870 0.103 0.000 1.087 344 L CA 0.785 55.683 54.840 0.096 0.000 0.874 344 L CB 0.259 42.391 42.059 0.122 0.000 1.114 344 L HN 0.686 nan 8.230 nan 0.000 0.488 345 A N 0.066 122.988 122.820 0.171 0.000 2.610 345 A HA 0.714 5.034 4.320 0.000 0.000 0.291 345 A C -1.440 176.252 177.584 0.180 0.000 1.086 345 A CA -0.530 51.624 52.037 0.195 0.000 0.677 345 A CB 1.504 20.688 19.000 0.307 0.000 1.278 345 A HN 0.067 nan 8.150 nan 0.000 0.414 346 E N -0.474 119.784 120.200 0.096 0.000 2.317 346 E HA 0.626 4.976 4.350 0.000 0.000 0.270 346 E C -1.621 175.017 176.600 0.065 0.000 0.885 346 E CA -0.423 55.880 56.400 -0.161 0.000 0.760 346 E CB 2.246 31.814 29.700 -0.220 0.000 1.227 346 E HN 0.734 nan 8.360 nan 0.000 0.434 347 W N 0.373 121.609 121.300 -0.107 0.000 3.213 347 W HA 0.454 5.114 4.660 0.000 0.000 0.318 347 W C -1.214 175.232 176.519 -0.123 0.000 1.248 347 W CA -0.767 56.540 57.345 -0.063 0.000 1.187 347 W CB 0.508 30.015 29.460 0.077 0.000 1.403 347 W HN 0.352 nan 8.180 nan 0.000 0.556 348 H N 1.821 121.096 119.070 0.341 0.000 2.472 348 H HA 0.414 4.970 4.556 0.000 0.000 0.335 348 H C 0.270 175.802 175.328 0.339 0.000 1.136 348 H CA -0.682 55.509 56.048 0.238 0.000 1.264 348 H CB 2.061 31.954 29.762 0.218 0.000 1.486 348 H HN 0.580 nan 8.280 nan 0.000 0.517 349 V N 1.272 121.409 119.914 0.371 0.000 2.585 349 V HA 0.193 4.313 4.120 0.000 0.000 0.296 349 V C -2.397 173.871 176.094 0.291 0.000 1.035 349 V CA -1.469 61.008 62.300 0.295 0.000 1.084 349 V CB -0.024 31.902 31.823 0.172 0.000 0.953 349 V HN 0.519 nan 8.190 nan 0.000 0.483 350 P HA 0.269 nan 4.420 nan 0.000 0.267 350 P C 0.447 177.989 177.300 0.403 0.000 1.205 350 P CA 0.412 63.737 63.100 0.375 0.000 0.765 350 P CB 1.192 33.214 31.700 0.536 0.000 0.828 351 A N 2.597 125.584 122.820 0.278 0.000 2.132 351 A HA 0.523 4.843 4.320 0.000 0.000 0.213 351 A C 0.831 178.432 177.584 0.028 0.000 1.154 351 A CA 1.262 53.428 52.037 0.216 0.000 0.753 351 A CB -0.186 18.871 19.000 0.094 0.000 0.826 351 A HN 0.635 nan 8.150 nan 0.000 0.469 352 A N -3.452 119.278 122.820 -0.149 0.000 2.566 352 A HA 0.659 4.979 4.320 0.000 0.000 0.290 352 A C 0.453 177.773 177.584 -0.440 0.000 1.071 352 A CA 0.079 51.688 52.037 -0.714 0.000 0.658 352 A CB -0.295 18.465 19.000 -0.400 0.000 1.285 352 A HN 2.083 nan 8.150 nan 0.000 0.427 353 G N -0.559 107.921 108.800 -0.534 0.000 2.484 353 G HA2 0.189 4.150 3.960 0.000 0.000 0.225 353 G HA3 0.189 4.150 3.960 0.000 0.000 0.225 353 G C 0.403 175.062 174.900 -0.403 0.000 1.250 353 G CA 0.819 45.603 45.100 -0.528 0.000 0.926 353 G HN 2.362 nan 8.290 nan 0.000 0.581 354 M N -1.949 117.119 119.600 -0.887 0.000 2.540 354 M HA 0.661 5.141 4.480 0.000 0.000 0.404 354 M C -0.747 174.410 176.300 -1.904 0.000 1.133 354 M CA -0.149 54.272 55.300 -1.465 0.000 0.900 354 M CB 0.657 32.684 32.600 -0.956 0.000 1.540 354 M HN 0.307 nan 8.290 nan 0.000 0.539 355 F N 1.726 121.303 119.950 -0.621 0.000 2.551 355 F HA 0.710 5.237 4.527 0.000 0.000 0.316 355 F C -0.772 175.180 175.800 0.253 0.000 1.089 355 F CA -1.276 56.607 58.000 -0.194 0.000 0.915 355 F CB 1.871 40.777 39.000 -0.157 0.000 1.186 355 F HN 0.001 nan 8.300 nan 0.000 0.456 356 L N 3.861 125.430 121.223 0.577 0.000 2.307 356 L HA 0.448 4.788 4.340 0.000 0.000 0.284 356 L C -1.397 175.786 176.870 0.522 0.000 1.023 356 L CA -0.671 54.489 54.840 0.532 0.000 0.810 356 L CB 1.217 43.538 42.059 0.437 0.000 1.231 356 L HN 0.750 nan 8.230 nan 0.000 0.423 357 W N 8.214 129.680 121.300 0.276 0.000 2.361 357 W HA 0.532 5.192 4.660 0.000 0.000 0.314 357 W C -1.593 175.144 176.519 0.363 0.000 1.041 357 W CA -0.873 56.623 57.345 0.252 0.000 1.241 357 W CB 1.370 30.936 29.460 0.177 0.000 1.279 357 W HN 0.406 nan 8.180 nan 0.000 0.436 358 I N 6.419 127.056 120.570 0.110 0.000 2.389 358 I HA 0.199 4.370 4.170 0.000 0.000 0.288 358 I C 0.094 176.112 176.117 -0.165 0.000 0.999 358 I CA -0.669 60.689 61.300 0.097 0.000 1.129 358 I CB 1.902 39.958 38.000 0.092 0.000 1.288 358 I HN 0.235 nan 8.210 nan 0.000 0.444 359 K N 7.138 127.400 120.400 -0.230 0.000 2.253 359 K HA 0.411 4.731 4.320 0.000 0.000 0.277 359 K C -0.503 175.921 176.600 -0.293 0.000 1.053 359 K CA -0.510 55.398 56.287 -0.631 0.000 0.892 359 K CB 1.321 33.302 32.500 -0.865 0.000 1.102 359 K HN 0.534 nan 8.250 nan 0.000 0.469 360 V N 2.471 122.226 119.914 -0.264 0.000 2.649 360 V HA 0.189 4.309 4.120 0.000 0.000 0.292 360 V C 0.926 176.943 176.094 -0.127 0.000 1.055 360 V CA -0.128 62.097 62.300 -0.125 0.000 1.023 360 V CB 1.473 33.244 31.823 -0.087 0.000 0.992 360 V HN 0.873 nan 8.190 nan 0.000 0.480 361 K N 3.726 124.087 120.400 -0.066 0.000 1.980 361 K HA 0.128 4.448 4.320 0.000 0.000 0.208 361 K C 1.662 178.227 176.600 -0.058 0.000 1.043 361 K CA 1.582 57.831 56.287 -0.063 0.000 0.938 361 K CB -0.394 32.086 32.500 -0.033 0.000 0.724 361 K HN 0.944 nan 8.250 nan 0.000 0.438 362 G N 0.625 109.401 108.800 -0.040 0.000 3.609 362 G HA2 0.267 4.227 3.960 0.000 0.000 0.280 362 G HA3 0.267 4.227 3.960 0.000 0.000 0.280 362 G C -0.122 174.756 174.900 -0.036 0.000 1.155 362 G CA -0.233 44.847 45.100 -0.033 0.000 0.876 362 G HN 0.067 nan 8.290 nan 0.000 0.535 363 I N -0.140 120.401 120.570 -0.049 0.000 2.468 363 I HA 0.203 4.373 4.170 0.000 0.000 0.285 363 I C 0.320 176.403 176.117 -0.056 0.000 1.039 363 I CA -0.676 60.596 61.300 -0.046 0.000 1.074 363 I CB 1.999 39.972 38.000 -0.045 0.000 1.228 363 I HN -0.014 nan 8.210 nan 0.000 0.436 364 N N 2.681 121.356 118.700 -0.042 0.000 2.270 364 N HA -0.091 4.649 4.740 0.000 0.000 0.181 364 N C -0.222 175.267 175.510 -0.035 0.000 1.016 364 N CA 0.744 53.770 53.050 -0.040 0.000 0.870 364 N CB 0.231 38.701 38.487 -0.028 0.000 0.979 364 N HN 0.571 nan 8.380 nan 0.000 0.431 365 D N -0.810 119.573 120.400 -0.028 0.000 2.788 365 D HA 0.126 4.766 4.640 0.000 0.000 0.247 365 D C -0.364 175.927 176.300 -0.015 0.000 1.236 365 D CA -0.450 53.541 54.000 -0.015 0.000 0.898 365 D CB 1.876 42.671 40.800 -0.008 0.000 1.401 365 D HN -0.235 nan 8.370 nan 0.000 0.549 366 V N 5.193 125.102 119.914 -0.009 0.000 3.623 366 V HA 0.030 4.150 4.120 0.000 0.000 0.271 366 V C 1.915 178.010 176.094 0.003 0.000 1.248 366 V CA 0.793 63.086 62.300 -0.013 0.000 1.156 366 V CB -0.509 31.301 31.823 -0.023 0.000 0.870 366 V HN 0.593 nan 8.190 nan 0.000 0.453 367 K N 0.394 120.801 120.400 0.012 0.000 2.032 367 K HA -0.240 4.080 4.320 0.000 0.000 0.209 367 K C 1.863 178.466 176.600 0.005 0.000 1.048 367 K CA 2.252 58.549 56.287 0.016 0.000 0.927 367 K CB 0.048 32.559 32.500 0.018 0.000 0.712 367 K HN 0.494 nan 8.250 nan 0.000 0.441 368 E N 1.033 121.232 120.200 -0.002 0.000 2.106 368 E HA -0.163 4.187 4.350 0.000 0.000 0.192 368 E C 1.765 178.358 176.600 -0.011 0.000 0.984 368 E CA 0.746 57.142 56.400 -0.006 0.000 0.806 368 E CB -0.275 29.420 29.700 -0.008 0.000 0.750 368 E HN 0.235 nan 8.360 nan 0.000 0.458 369 L N 0.282 121.496 121.223 -0.015 0.000 2.012 369 L HA -0.160 4.180 4.340 0.000 0.000 0.210 369 L C 1.758 178.612 176.870 -0.026 0.000 1.073 369 L CA 1.675 56.501 54.840 -0.024 0.000 0.748 369 L CB -0.226 41.815 42.059 -0.030 0.000 0.891 369 L HN 0.107 nan 8.230 nan 0.000 0.431 370 I N -0.071 120.488 120.570 -0.018 0.000 2.296 370 I HA -0.146 4.024 4.170 0.000 0.000 0.242 370 I C 2.519 178.633 176.117 -0.007 0.000 1.087 370 I CA 1.501 62.792 61.300 -0.015 0.000 1.393 370 I CB -1.371 36.629 38.000 -0.000 0.000 1.093 370 I HN 0.497 nan 8.210 nan 0.000 0.421 371 E N 1.055 121.256 120.200 0.001 0.000 2.204 371 E HA -0.160 4.190 4.350 0.000 0.000 0.194 371 E C 1.559 178.158 176.600 -0.002 0.000 0.989 371 E CA 1.122 57.524 56.400 0.003 0.000 0.824 371 E CB -0.061 29.643 29.700 0.007 0.000 0.756 371 E HN 0.571 nan 8.360 nan 0.000 0.477 372 E N 0.809 121.005 120.200 -0.007 0.000 2.176 372 E HA 0.070 4.420 4.350 0.000 0.000 0.194 372 E C 2.015 178.607 176.600 -0.014 0.000 0.947 372 E CA 0.124 56.519 56.400 -0.009 0.000 0.960 372 E CB 0.075 29.770 29.700 -0.008 0.000 1.002 372 E HN 0.055 nan 8.360 nan 0.000 0.479 373 K N 1.436 121.825 120.400 -0.018 0.000 2.001 373 K HA 0.000 4.321 4.320 0.000 0.000 0.208 373 K C 2.255 178.836 176.600 -0.032 0.000 1.048 373 K CA 1.167 57.440 56.287 -0.024 0.000 0.932 373 K CB -0.163 32.321 32.500 -0.026 0.000 0.715 373 K HN 0.029 nan 8.250 nan 0.000 0.437 374 A N 1.341 124.139 122.820 -0.037 0.000 1.877 374 A HA -0.135 4.185 4.320 0.000 0.000 0.216 374 A C 2.446 180.008 177.584 -0.037 0.000 1.186 374 A CA 1.540 53.548 52.037 -0.048 0.000 0.620 374 A CB -0.930 18.035 19.000 -0.058 0.000 0.822 374 A HN 0.064 nan 8.150 nan 0.000 0.443 375 V N 0.256 120.156 119.914 -0.024 0.000 2.278 375 V HA -0.365 3.755 4.120 0.000 0.000 0.251 375 V C 2.469 178.553 176.094 -0.017 0.000 1.062 375 V CA 2.618 64.909 62.300 -0.015 0.000 1.038 375 V CB -0.738 31.081 31.823 -0.007 0.000 0.646 375 V HN 0.578 nan 8.190 nan 0.000 0.447 376 K N -0.916 119.473 120.400 -0.018 0.000 2.211 376 K HA -0.034 4.286 4.320 0.000 0.000 0.203 376 K C 1.841 178.428 176.600 -0.022 0.000 1.050 376 K CA 1.054 57.330 56.287 -0.017 0.000 0.945 376 K CB -0.120 32.370 32.500 -0.016 0.000 0.732 376 K HN 0.369 nan 8.250 nan 0.000 0.451 377 M N -0.620 118.962 119.600 -0.031 0.000 2.561 377 M HA 0.109 4.589 4.480 0.000 0.000 0.238 377 M C 0.770 177.047 176.300 -0.038 0.000 1.131 377 M CA 0.613 55.890 55.300 -0.038 0.000 1.046 377 M CB 0.388 32.956 32.600 -0.053 0.000 1.532 377 M HN 0.352 nan 8.290 nan 0.000 0.497 378 G N 1.995 110.778 108.800 -0.030 0.000 2.182 378 G HA2 -0.168 3.792 3.960 0.000 0.000 0.248 378 G HA3 -0.168 3.792 3.960 0.000 0.000 0.248 378 G C -0.039 174.844 174.900 -0.027 0.000 1.042 378 G CA 0.287 45.373 45.100 -0.023 0.000 0.775 378 G HN 0.569 nan 8.290 nan 0.000 0.501 379 V N -2.231 117.660 119.914 -0.037 0.000 2.638 379 V HA 0.888 5.008 4.120 0.000 0.000 0.306 379 V C -0.028 176.043 176.094 -0.038 0.000 1.052 379 V CA -1.516 60.757 62.300 -0.045 0.000 0.885 379 V CB 1.993 33.766 31.823 -0.082 0.000 0.999 379 V HN 0.459 nan 8.190 nan 0.000 0.424 380 L N 5.800 127.011 121.223 -0.019 0.000 2.313 380 L HA 0.750 5.091 4.340 0.000 0.000 0.283 380 L C -0.051 176.819 176.870 -0.000 0.000 1.013 380 L CA -0.466 54.373 54.840 -0.002 0.000 0.816 380 L CB 1.796 43.869 42.059 0.023 0.000 1.236 380 L HN 0.609 nan 8.230 nan 0.000 0.419 381 M N 2.954 122.552 119.600 -0.002 0.000 2.755 381 M HA 0.516 4.996 4.480 0.000 0.000 0.298 381 M C -1.359 174.984 176.300 0.072 0.000 1.251 381 M CA -0.964 54.352 55.300 0.026 0.000 0.817 381 M CB 2.812 35.390 32.600 -0.036 0.000 1.760 381 M HN 0.291 nan 8.290 nan 0.000 0.473 382 L N 2.607 123.908 121.223 0.130 0.000 2.287 382 L HA 0.532 4.872 4.340 0.000 0.000 0.287 382 L C -2.457 174.550 176.870 0.229 0.000 1.022 382 L CA -1.519 53.432 54.840 0.185 0.000 0.814 382 L CB 1.144 43.358 42.059 0.258 0.000 1.217 382 L HN 0.247 nan 8.230 nan 0.000 0.420 383 P HA 0.141 nan 4.420 nan 0.000 0.267 383 P C 0.546 178.068 177.300 0.369 0.000 1.200 383 P CA 0.012 63.232 63.100 0.199 0.000 0.772 383 P CB 0.707 32.484 31.700 0.129 0.000 0.855 384 G N 2.231 111.279 108.800 0.413 0.000 2.598 384 G HA2 -0.197 3.764 3.960 0.000 0.000 0.215 384 G HA3 -0.197 3.764 3.960 0.000 0.000 0.215 384 G C 0.955 176.332 174.900 0.795 0.000 1.131 384 G CA 0.213 45.772 45.100 0.765 0.000 0.785 384 G HN 0.492 nan 8.290 nan 0.000 0.539 385 N N 1.531 120.498 118.700 0.447 0.000 2.272 385 N HA -0.038 4.702 4.740 0.000 0.000 0.185 385 N C 2.120 177.790 175.510 0.267 0.000 1.014 385 N CA 1.114 54.370 53.050 0.342 0.000 0.870 385 N CB -0.215 38.361 38.487 0.149 0.000 0.975 385 N HN 0.304 nan 8.380 nan 0.000 0.433 386 A N -0.323 122.525 122.820 0.046 0.000 2.168 386 A HA 0.067 4.387 4.320 0.000 0.000 0.215 386 A C 0.752 178.018 177.584 -0.531 0.000 1.152 386 A CA 0.575 52.419 52.037 -0.320 0.000 0.716 386 A CB -0.523 18.144 19.000 -0.555 0.000 0.794 386 A HN 0.279 nan 8.150 nan 0.000 0.465 387 F N -2.047 117.919 119.950 0.027 0.000 2.641 387 F HA 0.340 4.868 4.527 0.000 0.000 0.302 387 F C -0.266 175.263 175.800 -0.452 0.000 1.098 387 F CA -0.368 57.490 58.000 -0.235 0.000 1.318 387 F CB -0.114 38.660 39.000 -0.376 0.000 1.035 387 F HN 0.109 nan 8.300 nan 0.000 0.551 388 Y N -1.831 118.519 120.300 0.083 0.000 2.485 388 Y HA 0.365 4.915 4.550 -0.000 0.000 0.345 388 Y C 1.042 176.936 175.900 -0.011 0.000 0.998 388 Y CA -1.101 57.033 58.100 0.057 0.000 1.059 388 Y CB 1.399 39.911 38.460 0.086 0.000 1.234 388 Y HN -0.298 nan 8.280 nan 0.000 0.461 389 V N 0.233 120.228 119.914 0.134 0.000 2.287 389 V HA -0.253 3.867 4.120 0.000 0.000 0.248 389 V C 0.573 176.685 176.094 0.030 0.000 1.053 389 V CA 2.157 64.481 62.300 0.040 0.000 1.027 389 V CB -0.283 31.560 31.823 0.033 0.000 0.646 389 V HN 0.748 nan 8.190 nan 0.000 0.447 390 D N -0.356 120.089 120.400 0.075 0.000 2.500 390 D HA 0.126 4.766 4.640 0.000 0.000 0.219 390 D C 1.337 177.670 176.300 0.056 0.000 1.137 390 D CA 0.534 54.556 54.000 0.036 0.000 0.946 390 D CB 0.854 41.667 40.800 0.023 0.000 1.022 390 D HN 0.325 nan 8.370 nan 0.000 0.518 391 S N 1.347 117.067 115.700 0.032 0.000 2.507 391 S HA -0.167 4.303 4.470 0.000 0.000 0.235 391 S C 1.777 176.389 174.600 0.021 0.000 0.988 391 S CA 0.814 59.041 58.200 0.046 0.000 0.944 391 S CB -0.269 62.925 63.200 -0.010 0.000 0.762 391 S HN 0.346 nan 8.310 nan 0.000 0.526 392 S N 1.373 117.073 115.700 -0.001 0.000 2.496 392 S HA 0.454 4.925 4.470 0.000 0.000 0.224 392 S C 0.859 175.451 174.600 -0.012 0.000 0.996 392 S CA 0.044 58.239 58.200 -0.008 0.000 0.927 392 S CB -0.553 62.638 63.200 -0.014 0.000 0.774 392 S HN 0.761 nan 8.310 nan 0.000 0.524 393 A N 2.915 125.721 122.820 -0.023 0.000 2.462 393 A HA 0.552 4.872 4.320 0.000 0.000 0.243 393 A C -2.358 175.197 177.584 -0.048 0.000 1.076 393 A CA -1.290 50.720 52.037 -0.045 0.000 0.773 393 A CB -0.539 18.415 19.000 -0.077 0.000 1.010 393 A HN 0.362 nan 8.150 nan 0.000 0.493 394 P HA 0.132 nan 4.420 nan 0.000 0.264 394 P C -0.377 176.899 177.300 -0.039 0.000 1.183 394 P CA 0.434 63.518 63.100 -0.027 0.000 0.763 394 P CB 0.726 32.411 31.700 -0.024 0.000 0.807 395 S N 2.985 118.689 115.700 0.007 0.000 2.594 395 S HA 0.514 4.984 4.470 0.000 0.000 0.296 395 S C -2.239 172.387 174.600 0.044 0.000 1.124 395 S CA -1.770 56.467 58.200 0.062 0.000 1.011 395 S CB 1.210 64.516 63.200 0.176 0.000 1.016 395 S HN 0.260 nan 8.310 nan 0.000 0.485 396 P HA 0.181 nan 4.420 nan 0.000 0.262 396 P C -0.662 176.471 177.300 -0.278 0.000 1.304 396 P CA -0.020 62.990 63.100 -0.150 0.000 0.859 396 P CB -0.117 31.446 31.700 -0.227 0.000 1.310 397 Y N 0.085 120.255 120.300 -0.217 0.000 2.376 397 Y HA 0.469 5.019 4.550 0.000 0.000 0.325 397 Y C 0.851 176.505 175.900 -0.410 0.000 1.199 397 Y CA -0.565 57.214 58.100 -0.534 0.000 1.206 397 Y CB 1.323 39.121 38.460 -1.104 0.000 1.229 397 Y HN -0.265 nan 8.280 nan 0.000 0.480 398 L N 2.964 124.023 121.223 -0.274 0.000 2.408 398 L HA 0.538 4.878 4.340 0.000 0.000 0.268 398 L C -0.595 176.327 176.870 0.087 0.000 0.986 398 L CA -0.920 53.894 54.840 -0.043 0.000 0.820 398 L CB 2.280 44.312 42.059 -0.045 0.000 1.303 398 L HN 0.520 nan 8.230 nan 0.000 0.411 399 R N 2.415 123.086 120.500 0.285 0.000 2.255 399 R HA 0.734 5.074 4.340 0.000 0.000 0.326 399 R C -0.916 175.536 176.300 0.254 0.000 0.986 399 R CA -0.323 55.983 56.100 0.344 0.000 0.847 399 R CB 1.498 31.925 30.300 0.211 0.000 1.111 399 R HN 0.711 nan 8.270 nan 0.000 0.452 400 A N 3.153 126.154 122.820 0.300 0.000 2.318 400 A HA 0.322 4.642 4.320 0.000 0.000 0.317 400 A C -0.560 177.257 177.584 0.388 0.000 1.159 400 A CA -0.534 51.675 52.037 0.286 0.000 0.799 400 A CB 1.698 20.854 19.000 0.260 0.000 1.194 400 A HN 0.663 nan 8.150 nan 0.000 0.479 401 S N 1.476 117.385 115.700 0.349 0.000 2.545 401 S HA 0.492 4.962 4.470 0.000 0.000 0.275 401 S C 0.155 174.862 174.600 0.179 0.000 1.299 401 S CA -0.430 57.904 58.200 0.224 0.000 1.048 401 S CB -0.132 63.203 63.200 0.227 0.000 0.938 401 S HN 1.101 nan 8.310 nan 0.000 0.496 402 F N 2.923 122.934 119.950 0.101 0.000 2.647 402 F HA 0.346 4.873 4.527 0.000 0.000 0.300 402 F C 1.520 177.335 175.800 0.026 0.000 1.106 402 F CA -0.286 57.747 58.000 0.054 0.000 1.313 402 F CB -0.900 38.111 39.000 0.019 0.000 1.007 402 F HN 0.532 nan 8.300 nan 0.000 0.536 403 S N -1.032 114.680 115.700 0.020 0.000 2.428 403 S HA -0.062 4.408 4.470 0.000 0.000 0.230 403 S C 1.508 176.172 174.600 0.108 0.000 1.014 403 S CA 1.230 59.486 58.200 0.095 0.000 0.957 403 S CB -0.438 62.870 63.200 0.181 0.000 0.784 403 S HN 0.368 nan 8.310 nan 0.000 0.499 404 S N 0.561 116.333 115.700 0.121 0.000 2.818 404 S HA 0.578 5.048 4.470 0.000 0.000 0.251 404 S C 0.755 175.424 174.600 0.114 0.000 1.083 404 S CA 0.033 58.310 58.200 0.129 0.000 0.871 404 S CB 0.069 63.334 63.200 0.108 0.000 0.831 404 S HN 0.722 nan 8.310 nan 0.000 0.470 405 A N 2.992 125.876 122.820 0.106 0.000 2.498 405 A HA 0.524 4.844 4.320 0.000 0.000 0.239 405 A C 0.712 178.337 177.584 0.068 0.000 1.068 405 A CA -0.181 51.911 52.037 0.092 0.000 0.766 405 A CB -0.018 19.049 19.000 0.111 0.000 1.003 405 A HN 0.503 nan 8.150 nan 0.000 0.497 406 S N 2.300 118.034 115.700 0.057 0.000 2.600 406 S HA 0.321 4.791 4.470 0.000 0.000 0.265 406 S C -1.873 172.743 174.600 0.025 0.000 1.325 406 S CA -0.650 57.572 58.200 0.037 0.000 1.002 406 S CB 0.358 63.580 63.200 0.037 0.000 0.921 406 S HN 0.459 nan 8.310 nan 0.000 0.554 407 P HA -0.143 nan 4.420 nan 0.000 0.218 407 P C 1.408 178.725 177.300 0.028 0.000 1.148 407 P CA 1.229 64.327 63.100 -0.003 0.000 0.822 407 P CB -0.035 31.651 31.700 -0.023 0.000 0.784 408 E N 0.324 120.544 120.200 0.034 0.000 2.072 408 E HA -0.197 4.153 4.350 0.000 0.000 0.191 408 E C 1.982 178.614 176.600 0.052 0.000 0.985 408 E CA 1.133 57.560 56.400 0.045 0.000 0.801 408 E CB -1.141 28.581 29.700 0.036 0.000 0.750 408 E HN 0.382 nan 8.360 nan 0.000 0.452 409 Q N 0.345 120.176 119.800 0.051 0.000 2.096 409 Q HA -0.093 4.247 4.340 0.000 0.000 0.204 409 Q C 2.383 178.439 176.000 0.092 0.000 0.982 409 Q CA 1.933 57.771 55.803 0.058 0.000 0.850 409 Q CB -0.272 28.501 28.738 0.059 0.000 0.901 409 Q HN 0.299 nan 8.270 nan 0.000 0.422 410 M N 0.062 119.732 119.600 0.116 0.000 2.117 410 M HA -0.183 4.297 4.480 0.000 0.000 0.262 410 M C 1.690 178.130 176.300 0.233 0.000 1.065 410 M CA 1.472 56.895 55.300 0.204 0.000 1.114 410 M CB -0.210 32.453 32.600 0.106 0.000 1.361 410 M HN 0.151 nan 8.290 nan 0.000 0.408 411 D N 0.075 120.563 120.400 0.147 0.000 2.092 411 D HA -0.154 4.486 4.640 0.000 0.000 0.193 411 D C 1.779 178.110 176.300 0.052 0.000 0.994 411 D CA 1.379 55.497 54.000 0.197 0.000 0.828 411 D CB 0.120 41.042 40.800 0.204 0.000 0.963 411 D HN 0.055 nan 8.370 nan 0.000 0.450 412 V N 0.407 120.323 119.914 0.003 0.000 2.427 412 V HA -0.156 3.964 4.120 0.000 0.000 0.248 412 V C 2.431 178.440 176.094 -0.141 0.000 1.051 412 V CA 1.647 63.886 62.300 -0.102 0.000 1.048 412 V CB -0.691 31.102 31.823 -0.050 0.000 0.666 412 V HN 0.356 nan 8.190 nan 0.000 0.456 413 A N -0.631 122.162 122.820 -0.045 0.000 1.898 413 A HA -0.160 4.161 4.320 0.000 0.000 0.216 413 A C 1.994 179.469 177.584 -0.182 0.000 1.181 413 A CA 1.711 53.693 52.037 -0.092 0.000 0.620 413 A CB -0.626 18.350 19.000 -0.041 0.000 0.819 413 A HN 0.476 nan 8.150 nan 0.000 0.442 414 F N -0.090 119.749 119.950 -0.186 0.000 2.293 414 F HA -0.086 4.441 4.527 0.000 0.000 0.297 414 F C 2.577 178.126 175.800 -0.418 0.000 1.089 414 F CA 1.399 59.294 58.000 -0.176 0.000 1.377 414 F CB -0.330 38.669 39.000 -0.001 0.000 1.051 414 F HN 0.366 nan 8.300 nan 0.000 0.511 415 Q N 0.641 119.947 119.800 -0.823 0.000 2.061 415 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 415 Q C 2.214 177.863 176.000 -0.584 0.000 0.984 415 Q CA 2.365 57.351 55.803 -1.361 0.000 0.846 415 Q CB -0.438 27.311 28.738 -1.648 0.000 0.902 415 Q HN 0.292 nan 8.270 nan 0.000 0.421 416 V N 1.763 121.446 119.914 -0.385 0.000 2.295 416 V HA -0.285 3.835 4.120 0.000 0.000 0.246 416 V C 2.524 178.511 176.094 -0.178 0.000 1.049 416 V CA 1.736 63.898 62.300 -0.230 0.000 1.024 416 V CB -0.716 31.000 31.823 -0.178 0.000 0.648 416 V HN 0.473 nan 8.190 nan 0.000 0.447 417 L N 0.113 121.217 121.223 -0.198 0.000 1.989 417 L HA -0.234 4.106 4.340 0.000 0.000 0.211 417 L C 2.649 179.465 176.870 -0.090 0.000 1.071 417 L CA 2.309 57.050 54.840 -0.166 0.000 0.749 417 L CB -0.752 41.148 42.059 -0.265 0.000 0.890 417 L HN 0.387 nan 8.230 nan 0.000 0.431 418 A N -0.614 122.177 122.820 -0.047 0.000 1.927 418 A HA -0.338 3.982 4.320 0.000 0.000 0.220 418 A C 2.217 179.815 177.584 0.023 0.000 1.185 418 A CA 2.237 54.305 52.037 0.051 0.000 0.639 418 A CB -0.822 18.289 19.000 0.185 0.000 0.820 418 A HN 0.700 nan 8.150 nan 0.000 0.451 419 Q N -0.404 119.378 119.800 -0.029 0.000 2.079 419 Q HA -0.116 4.224 4.340 0.000 0.000 0.200 419 Q C 2.060 178.047 176.000 -0.023 0.000 0.974 419 Q CA 1.517 57.306 55.803 -0.022 0.000 0.840 419 Q CB -0.214 28.489 28.738 -0.059 0.000 0.898 419 Q HN 0.696 nan 8.270 nan 0.000 0.430 420 L N 0.378 121.576 121.223 -0.042 0.000 2.093 420 L HA -0.168 4.172 4.340 0.000 0.000 0.208 420 L C 2.505 179.361 176.870 -0.025 0.000 1.085 420 L CA 0.678 55.496 54.840 -0.037 0.000 0.755 420 L CB -0.355 41.673 42.059 -0.051 0.000 0.904 420 L HN 0.257 nan 8.230 nan 0.000 0.435 421 I N -0.003 120.555 120.570 -0.020 0.000 2.163 421 I HA -0.343 3.827 4.170 0.000 0.000 0.243 421 I C 2.538 178.656 176.117 0.002 0.000 1.085 421 I CA 1.585 62.880 61.300 -0.008 0.000 1.347 421 I CB -0.256 37.747 38.000 0.006 0.000 1.044 421 I HN 0.210 nan 8.210 nan 0.000 0.408 422 K N 0.421 120.828 120.400 0.012 0.000 2.148 422 K HA -0.152 4.168 4.320 0.000 0.000 0.204 422 K C 1.849 178.453 176.600 0.007 0.000 1.050 422 K CA 1.144 57.442 56.287 0.017 0.000 0.942 422 K CB -0.094 32.425 32.500 0.032 0.000 0.724 422 K HN 0.359 nan 8.250 nan 0.000 0.446 423 E N 0.129 120.329 120.200 0.000 0.000 2.418 423 E HA -0.047 4.303 4.350 0.000 0.000 0.197 423 E C 0.809 177.405 176.600 -0.007 0.000 1.026 423 E CA 0.587 56.985 56.400 -0.004 0.000 0.862 423 E CB 0.274 29.969 29.700 -0.009 0.000 0.799 423 E HN 0.087 nan 8.360 nan 0.000 0.518 424 S N 0.051 115.746 115.700 -0.008 0.000 2.578 424 S HA 0.198 4.668 4.470 0.000 0.000 0.231 424 S C 0.484 175.078 174.600 -0.010 0.000 0.994 424 S CA -0.242 57.951 58.200 -0.011 0.000 0.956 424 S CB 0.505 63.695 63.200 -0.016 0.000 0.870 424 S HN 0.064 nan 8.310 nan 0.000 0.494 425 L N 0.000 121.219 121.223 -0.006 0.000 2.949 425 L HA 0.000 4.340 4.340 0.000 0.000 0.249 425 L CA 0.000 54.837 54.840 -0.006 0.000 0.813 425 L CB 0.000 42.058 42.059 -0.001 0.000 0.961 425 L HN 0.000 nan 8.230 nan 0.000 0.502