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 3fj4_1_B DATA FIRST_RESID 4 DATA SEQUENCE HASAIESIET IIVDLPTIRP HKLAMHTMQN QTLVLIRLRC ADGIEGLGES DATA SEQUENCE TTIGGLAYGN ESPDSIKTNI DRFVAPLLIG QDASNINAAM LRLEQSIRGN DATA SEQUENCE TFAKSGIESA LLDAQGKRLG LPVSELLGGR VRDALPVAWT LASGDTAKDI DATA SEQUENCE AEAQKMLDLR RHRIFKLKIG AGEVDRDLAH VIAIKKALGD SASVRVDVNQ DATA SEQUENCE AWDEAVALRA CRILGGNGID LIEQPISRNN RAGMVRLNAS SPAPIMADES DATA SEQUENCE IECVEDAFNL AREGAASVFA LKIAKNGGPR ATLRTAAIAE AAGIGLYGGT DATA SEQUENCE MLEGGIGTLA SAHAFLTLNK LSWDTELFGP LLLTEDILAE PPVYRDFHLH DATA SEQUENCE VSKAPGLGLS LDEERLAFFR R 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 4 H HA 0.000 nan 4.556 nan 0.000 0.296 4 H C 0.000 175.327 175.328 -0.002 0.000 0.993 4 H CA 0.000 56.047 56.048 -0.002 0.000 1.023 4 H CB 0.000 29.761 29.762 -0.002 0.000 1.292 5 A N 2.212 124.937 122.820 -0.158 0.000 1.978 5 A HA -0.096 4.224 4.320 0.000 0.000 0.220 5 A C 1.398 179.105 177.584 0.205 0.000 1.170 5 A CA 2.058 54.100 52.037 0.008 0.000 0.636 5 A CB -0.200 18.735 19.000 -0.108 0.000 0.810 5 A HN 0.428 nan 8.150 nan 0.000 0.448 6 S N -0.274 115.749 115.700 0.538 0.000 2.583 6 S HA 0.531 5.001 4.470 0.000 0.000 0.239 6 S C 0.609 175.257 174.600 0.080 0.000 0.966 6 S CA 0.045 58.369 58.200 0.208 0.000 0.973 6 S CB -0.147 63.115 63.200 0.104 0.000 0.794 6 S HN 0.739 nan 8.310 nan 0.000 0.463 7 A N 1.726 124.627 122.820 0.135 0.000 2.540 7 A HA 0.298 4.618 4.320 0.000 0.000 0.239 7 A C 0.281 177.877 177.584 0.019 0.000 1.061 7 A CA -0.009 52.059 52.037 0.052 0.000 0.758 7 A CB -0.289 18.759 19.000 0.080 0.000 0.991 7 A HN 0.524 nan 8.150 nan 0.000 0.502 8 I N 2.333 122.900 120.570 -0.004 0.000 2.533 8 I HA 0.023 4.193 4.170 0.000 0.000 0.284 8 I C 1.074 177.193 176.117 0.003 0.000 1.109 8 I CA 0.372 61.668 61.300 -0.006 0.000 1.412 8 I CB 0.558 38.550 38.000 -0.014 0.000 1.396 8 I HN 0.872 nan 8.210 nan 0.000 0.543 9 E N 3.511 123.714 120.200 0.004 0.000 2.290 9 E HA 0.050 4.400 4.350 0.000 0.000 0.197 9 E C 0.105 176.706 176.600 0.000 0.000 0.948 9 E CA 0.319 56.722 56.400 0.004 0.000 0.895 9 E CB 0.561 30.265 29.700 0.006 0.000 0.865 9 E HN 0.757 nan 8.360 nan 0.000 0.486 10 S N 0.007 115.707 115.700 -0.001 0.000 2.547 10 S HA 0.588 5.058 4.470 0.000 0.000 0.270 10 S C -1.000 173.598 174.600 -0.003 0.000 1.150 10 S CA -0.918 57.280 58.200 -0.003 0.000 0.850 10 S CB 1.504 64.703 63.200 -0.002 0.000 1.118 10 S HN 0.078 nan 8.310 nan 0.000 0.461 11 I N 1.284 121.852 120.570 -0.004 0.000 2.500 11 I HA 0.438 4.608 4.170 0.000 0.000 0.286 11 I C -0.666 175.450 176.117 -0.002 0.000 1.063 11 I CA -0.211 61.088 61.300 -0.002 0.000 1.062 11 I CB 1.935 39.935 38.000 -0.001 0.000 1.223 11 I HN 0.857 nan 8.210 nan 0.000 0.435 12 E N 5.261 125.462 120.200 0.000 0.000 2.199 12 E HA 0.563 4.913 4.350 0.000 0.000 0.269 12 E C -0.973 175.630 176.600 0.005 0.000 0.899 12 E CA -0.506 55.895 56.400 0.002 0.000 0.772 12 E CB 1.803 31.505 29.700 0.003 0.000 1.155 12 E HN 0.585 nan 8.360 nan 0.000 0.408 13 T N 2.165 116.723 114.554 0.006 0.000 2.797 13 T HA 0.627 4.977 4.350 0.000 0.000 0.279 13 T C -0.063 174.643 174.700 0.010 0.000 0.991 13 T CA -0.746 61.360 62.100 0.010 0.000 0.979 13 T CB 0.546 69.421 68.868 0.012 0.000 0.943 13 T HN 0.373 nan 8.240 nan 0.000 0.444 14 I N 3.353 123.931 120.570 0.014 0.000 2.478 14 I HA 0.393 4.563 4.170 0.000 0.000 0.287 14 I C -0.329 175.799 176.117 0.018 0.000 1.042 14 I CA -1.119 60.190 61.300 0.016 0.000 1.067 14 I CB 1.995 40.008 38.000 0.021 0.000 1.233 14 I HN 0.579 nan 8.210 nan 0.000 0.431 15 I N 6.611 127.190 120.570 0.015 0.000 2.352 15 I HA 0.272 4.442 4.170 0.000 0.000 0.290 15 I C -0.382 175.749 176.117 0.023 0.000 1.036 15 I CA -0.518 60.791 61.300 0.014 0.000 1.336 15 I CB 1.124 39.128 38.000 0.007 0.000 1.407 15 I HN 0.207 nan 8.210 nan 0.000 0.497 16 V N 5.646 125.576 119.914 0.026 0.000 2.448 16 V HA 0.327 4.447 4.120 0.000 0.000 0.295 16 V C -0.419 175.692 176.094 0.028 0.000 1.025 16 V CA -0.825 61.503 62.300 0.045 0.000 0.859 16 V CB 1.936 33.791 31.823 0.054 0.000 0.988 16 V HN 0.593 nan 8.190 nan 0.000 0.431 17 D N 5.069 125.500 120.400 0.052 0.000 2.193 17 D HA 0.674 5.314 4.640 0.000 0.000 0.244 17 D C -0.653 175.645 176.300 -0.005 0.000 1.064 17 D CA -0.081 53.937 54.000 0.031 0.000 0.845 17 D CB 2.555 43.383 40.800 0.046 0.000 1.148 17 D HN 0.298 nan 8.370 nan 0.000 0.464 18 L N 2.547 123.721 121.223 -0.082 0.000 2.388 18 L HA 0.431 4.771 4.340 0.000 0.000 0.264 18 L C -2.583 174.224 176.870 -0.106 0.000 0.998 18 L CA -2.033 52.675 54.840 -0.221 0.000 0.817 18 L CB 2.618 44.510 42.059 -0.278 0.000 1.338 18 L HN 0.019 nan 8.230 nan 0.000 0.414 19 P HA 0.282 nan 4.420 nan 0.000 0.281 19 P C -0.910 176.384 177.300 -0.009 0.000 1.249 19 P CA -0.413 62.682 63.100 -0.008 0.000 0.810 19 P CB 1.156 32.882 31.700 0.042 0.000 1.008 20 T N -1.754 112.814 114.554 0.023 0.000 2.950 20 T HA 0.440 4.790 4.350 0.000 0.000 0.288 20 T C 1.350 176.089 174.700 0.065 0.000 1.035 20 T CA -0.830 61.293 62.100 0.038 0.000 1.028 20 T CB 0.668 69.557 68.868 0.036 0.000 1.109 20 T HN 0.405 nan 8.240 nan 0.000 0.514 21 I N -1.324 119.302 120.570 0.092 0.000 2.830 21 I HA 0.194 4.364 4.170 0.000 0.000 0.263 21 I C 0.752 176.935 176.117 0.111 0.000 1.230 21 I CA 0.018 61.383 61.300 0.108 0.000 1.480 21 I CB -0.417 37.671 38.000 0.147 0.000 1.095 21 I HN 0.775 nan 8.210 nan 0.000 0.455 22 R N -0.493 120.076 120.500 0.115 0.000 2.765 22 R HA 0.516 4.856 4.340 0.000 0.000 0.277 22 R C -3.274 173.092 176.300 0.110 0.000 1.028 22 R CA -1.439 54.725 56.100 0.108 0.000 0.860 22 R CB -0.441 29.936 30.300 0.128 0.000 1.270 22 R HN -0.286 nan 8.270 nan 0.000 0.484 23 P HA 0.042 nan 4.420 nan 0.000 0.268 23 P C -1.177 176.192 177.300 0.115 0.000 1.204 23 P CA 0.028 63.172 63.100 0.073 0.000 0.768 23 P CB 0.358 32.074 31.700 0.028 0.000 0.842 24 H N 3.505 122.570 119.070 -0.008 0.000 2.638 24 H HA 0.227 4.783 4.556 0.000 0.000 0.317 24 H C -0.393 174.921 175.328 -0.023 0.000 1.006 24 H CA -0.660 55.381 56.048 -0.012 0.000 1.222 24 H CB 0.822 30.587 29.762 0.006 0.000 1.419 24 H HN 0.275 nan 8.280 nan 0.000 0.489 25 K N 6.013 126.308 120.400 -0.175 0.000 2.267 25 K HA 0.227 4.547 4.320 0.000 0.000 0.282 25 K C -0.275 176.245 176.600 -0.133 0.000 1.078 25 K CA -0.664 55.543 56.287 -0.134 0.000 0.903 25 K CB 1.340 33.766 32.500 -0.124 0.000 1.111 25 K HN 0.308 nan 8.250 nan 0.000 0.475 26 L N 1.649 122.851 121.223 -0.035 0.000 2.387 26 L HA 0.279 4.619 4.340 0.000 0.000 0.266 26 L C 1.662 178.527 176.870 -0.009 0.000 1.059 26 L CA 0.045 54.891 54.840 0.010 0.000 0.801 26 L CB 0.901 43.038 42.059 0.131 0.000 1.223 26 L HN 0.705 nan 8.230 nan 0.000 0.456 27 A N 2.580 125.385 122.820 -0.026 0.000 1.978 27 A HA -0.176 4.144 4.320 0.000 0.000 0.220 27 A C 1.582 179.158 177.584 -0.013 0.000 1.170 27 A CA 2.017 54.026 52.037 -0.046 0.000 0.636 27 A CB -0.327 18.617 19.000 -0.094 0.000 0.810 27 A HN 0.782 nan 8.150 nan 0.000 0.448 28 M N -2.442 117.173 119.600 0.025 0.000 2.313 28 M HA 0.323 4.803 4.480 0.000 0.000 0.273 28 M C -0.016 176.367 176.300 0.139 0.000 1.049 28 M CA 0.511 55.841 55.300 0.050 0.000 1.004 28 M CB -0.887 31.726 32.600 0.021 0.000 1.461 28 M HN 0.401 nan 8.290 nan 0.000 0.514 29 H N -0.175 118.905 119.070 0.016 0.000 3.112 29 H HA 0.551 5.107 4.556 -0.000 0.000 0.347 29 H C -1.734 173.612 175.328 0.031 0.000 1.188 29 H CA -0.025 56.040 56.048 0.028 0.000 1.240 29 H CB 1.380 31.173 29.762 0.051 0.000 1.920 29 H HN 0.059 nan 8.280 nan 0.000 0.535 30 T N 5.790 119.958 114.554 -0.645 0.000 2.788 30 T HA 0.315 4.665 4.350 0.000 0.000 0.296 30 T C 0.140 174.531 174.700 -0.515 0.000 1.009 30 T CA -0.646 61.217 62.100 -0.396 0.000 0.949 30 T CB 0.175 68.903 68.868 -0.234 0.000 0.946 30 T HN 0.430 nan 8.240 nan 0.000 0.453 31 M N 3.378 122.906 119.600 -0.120 0.000 2.188 31 M HA 0.191 4.671 4.480 0.000 0.000 0.354 31 M C 1.092 177.416 176.300 0.039 0.000 1.342 31 M CA -0.241 55.097 55.300 0.065 0.000 1.117 31 M CB 0.931 33.638 32.600 0.179 0.000 1.670 31 M HN 0.438 nan 8.290 nan 0.000 0.466 32 Q N 1.763 121.591 119.800 0.047 0.000 2.350 32 Q HA 0.180 4.520 4.340 0.000 0.000 0.225 32 Q C -0.078 175.953 176.000 0.051 0.000 0.878 32 Q CA 0.472 56.298 55.803 0.039 0.000 0.935 32 Q CB 0.465 29.220 28.738 0.028 0.000 1.099 32 Q HN 0.891 nan 8.270 nan 0.000 0.527 33 N N -0.723 118.012 118.700 0.059 0.000 3.496 33 N HA 0.198 4.938 4.740 0.000 0.000 0.331 33 N C -1.376 174.153 175.510 0.032 0.000 1.532 33 N CA -0.432 52.642 53.050 0.039 0.000 0.863 33 N CB 1.256 39.764 38.487 0.036 0.000 1.927 33 N HN -0.154 nan 8.380 nan 0.000 0.529 34 Q N -0.836 118.967 119.800 0.005 0.000 2.377 34 Q HA 0.639 4.979 4.340 0.000 0.000 0.279 34 Q C -1.943 174.047 176.000 -0.018 0.000 1.049 34 Q CA -0.222 55.575 55.803 -0.010 0.000 0.825 34 Q CB 2.084 30.801 28.738 -0.035 0.000 1.401 34 Q HN 0.677 nan 8.270 nan 0.000 0.404 35 T N 3.544 118.088 114.554 -0.016 0.000 2.841 35 T HA 0.693 5.043 4.350 0.000 0.000 0.285 35 T C -0.788 173.904 174.700 -0.014 0.000 0.991 35 T CA -0.535 61.557 62.100 -0.013 0.000 0.966 35 T CB 0.410 69.274 68.868 -0.008 0.000 0.962 35 T HN 0.500 nan 8.240 nan 0.000 0.438 36 L N 1.914 123.131 121.223 -0.010 0.000 2.319 36 L HA 0.842 5.182 4.340 0.000 0.000 0.267 36 L C -0.673 176.202 176.870 0.007 0.000 1.011 36 L CA -1.430 53.408 54.840 -0.003 0.000 0.818 36 L CB 1.748 43.802 42.059 -0.010 0.000 1.316 36 L HN 0.273 nan 8.230 nan 0.000 0.432 37 V N 2.732 122.655 119.914 0.014 0.000 2.350 37 V HA 0.312 4.432 4.120 0.000 0.000 0.285 37 V C -0.276 175.828 176.094 0.016 0.000 1.014 37 V CA -0.442 61.868 62.300 0.018 0.000 0.831 37 V CB 1.684 33.522 31.823 0.025 0.000 1.000 37 V HN 0.450 nan 8.190 nan 0.000 0.433 38 L N 6.792 128.025 121.223 0.016 0.000 2.326 38 L HA 0.632 4.972 4.340 0.000 0.000 0.278 38 L C -0.569 176.307 176.870 0.011 0.000 1.092 38 L CA 0.347 55.194 54.840 0.013 0.000 0.810 38 L CB 1.068 43.138 42.059 0.019 0.000 1.153 38 L HN 0.507 nan 8.230 nan 0.000 0.439 39 I N 5.266 125.839 120.570 0.006 0.000 2.362 39 I HA 0.461 4.631 4.170 0.000 0.000 0.289 39 I C -0.145 175.973 176.117 0.000 0.000 0.994 39 I CA -0.148 61.154 61.300 0.004 0.000 1.158 39 I CB 1.252 39.253 38.000 0.001 0.000 1.315 39 I HN 0.483 nan 8.210 nan 0.000 0.451 40 R N 6.588 127.089 120.500 0.002 0.000 2.275 40 R HA 0.568 4.908 4.340 0.000 0.000 0.326 40 R C -1.101 175.197 176.300 -0.002 0.000 0.973 40 R CA -0.735 55.365 56.100 0.000 0.000 0.854 40 R CB 1.591 31.894 30.300 0.005 0.000 1.156 40 R HN 0.512 nan 8.270 nan 0.000 0.487 41 L N 4.137 125.357 121.223 -0.006 0.000 2.298 41 L HA 0.468 4.808 4.340 0.000 0.000 0.284 41 L C -0.577 176.289 176.870 -0.007 0.000 1.013 41 L CA -0.591 54.244 54.840 -0.008 0.000 0.824 41 L CB 0.769 42.821 42.059 -0.012 0.000 1.221 41 L HN 0.475 nan 8.230 nan 0.000 0.418 42 R N 3.974 124.471 120.500 -0.004 0.000 2.460 42 R HA 0.582 4.922 4.340 0.000 0.000 0.303 42 R C -1.001 175.299 176.300 -0.001 0.000 0.968 42 R CA -0.668 55.430 56.100 -0.002 0.000 0.889 42 R CB 1.630 31.930 30.300 0.000 0.000 1.123 42 R HN 0.590 nan 8.270 nan 0.000 0.455 43 C N 0.700 120.001 119.300 0.002 0.000 2.401 43 C HA 0.461 4.921 4.460 0.000 0.000 0.356 43 C C 1.960 176.959 174.990 0.016 0.000 1.192 43 C CA -0.591 58.432 59.018 0.008 0.000 2.028 43 C CB 1.350 29.094 27.740 0.007 0.000 2.344 43 C HN 0.991 nan 8.230 nan 0.000 0.525 44 A N 0.920 123.757 122.820 0.028 0.000 2.019 44 A HA -0.144 4.176 4.320 0.000 0.000 0.219 44 A C 1.352 178.952 177.584 0.026 0.000 1.164 44 A CA 2.131 54.186 52.037 0.029 0.000 0.644 44 A CB -0.636 18.389 19.000 0.043 0.000 0.805 44 A HN 0.975 nan 8.150 nan 0.000 0.449 45 D N -1.290 119.130 120.400 0.032 0.000 2.344 45 D HA 0.317 4.957 4.640 0.000 0.000 0.242 45 D C 0.985 177.294 176.300 0.015 0.000 1.159 45 D CA 0.480 54.495 54.000 0.025 0.000 0.859 45 D CB -1.076 39.745 40.800 0.034 0.000 0.925 45 D HN 0.651 nan 8.370 nan 0.000 0.510 46 G N 0.310 109.118 108.800 0.012 0.000 2.295 46 G HA2 -0.269 3.691 3.960 0.000 0.000 0.287 46 G HA3 -0.269 3.691 3.960 0.000 0.000 0.287 46 G C -0.100 174.803 174.900 0.005 0.000 1.055 46 G CA 0.086 45.190 45.100 0.008 0.000 0.922 46 G HN 0.490 nan 8.290 nan 0.000 0.503 47 I N -0.336 120.237 120.570 0.005 0.000 2.465 47 I HA 0.441 4.611 4.170 0.000 0.000 0.291 47 I C 0.061 176.176 176.117 -0.003 0.000 1.014 47 I CA -0.795 60.505 61.300 0.000 0.000 1.093 47 I CB 2.099 40.099 38.000 -0.001 0.000 1.267 47 I HN 0.239 nan 8.210 nan 0.000 0.431 48 E N 4.404 124.600 120.200 -0.006 0.000 2.171 48 E HA 0.614 4.964 4.350 0.000 0.000 0.271 48 E C -0.647 175.945 176.600 -0.014 0.000 0.916 48 E CA -0.620 55.775 56.400 -0.007 0.000 0.774 48 E CB 1.881 31.578 29.700 -0.004 0.000 1.128 48 E HN 0.774 nan 8.360 nan 0.000 0.403 49 G N 4.097 112.887 108.800 -0.017 0.000 2.388 49 G HA2 0.543 4.503 3.960 0.000 0.000 0.330 49 G HA3 0.543 4.503 3.960 0.000 0.000 0.330 49 G C -0.901 173.985 174.900 -0.023 0.000 1.142 49 G CA -0.612 44.472 45.100 -0.026 0.000 0.908 49 G HN 0.469 nan 8.290 nan 0.000 0.473 50 L N 1.403 122.609 121.223 -0.029 0.000 2.329 50 L HA 0.805 5.145 4.340 0.000 0.000 0.279 50 L C 0.652 177.503 176.870 -0.032 0.000 1.014 50 L CA -0.706 54.120 54.840 -0.023 0.000 0.814 50 L CB 2.205 44.253 42.059 -0.018 0.000 1.257 50 L HN 0.694 nan 8.230 nan 0.000 0.424 51 G N 1.228 110.014 108.800 -0.024 0.000 2.680 51 G HA2 0.617 4.577 3.960 0.000 0.000 0.290 51 G HA3 0.617 4.577 3.960 0.000 0.000 0.290 51 G C -1.999 172.889 174.900 -0.019 0.000 1.355 51 G CA -0.266 44.817 45.100 -0.029 0.000 0.903 51 G HN 0.532 nan 8.290 nan 0.000 0.474 52 E N -0.434 119.751 120.200 -0.024 0.000 2.308 52 E HA 0.560 4.910 4.350 0.000 0.000 0.275 52 E C -1.423 175.173 176.600 -0.008 0.000 0.890 52 E CA -0.615 55.777 56.400 -0.014 0.000 0.754 52 E CB 1.883 31.571 29.700 -0.021 0.000 1.207 52 E HN 0.281 nan 8.360 nan 0.000 0.426 53 S N 2.404 118.117 115.700 0.022 0.000 2.669 53 S HA 0.470 4.940 4.470 0.000 0.000 0.315 53 S C -1.028 173.628 174.600 0.093 0.000 1.106 53 S CA -0.503 57.739 58.200 0.069 0.000 1.107 53 S CB 1.689 64.947 63.200 0.096 0.000 0.990 53 S HN 0.458 nan 8.310 nan 0.000 0.471 54 T N 2.030 116.654 114.554 0.117 0.000 2.900 54 T HA 0.705 5.055 4.350 0.000 0.000 0.295 54 T C -0.010 174.812 174.700 0.203 0.000 1.044 54 T CA -0.523 61.635 62.100 0.097 0.000 0.995 54 T CB 2.178 71.053 68.868 0.011 0.000 1.072 54 T HN 0.493 nan 8.240 nan 0.000 0.473 55 T N 0.936 115.547 114.554 0.095 0.000 2.604 55 T HA 0.814 5.164 4.350 0.000 0.000 0.267 55 T C -1.476 173.180 174.700 -0.073 0.000 0.923 55 T CA -0.657 61.478 62.100 0.058 0.000 1.077 55 T CB 0.757 69.514 68.868 -0.185 0.000 1.392 55 T HN 0.488 nan 8.240 nan 0.000 0.531 56 I N 0.815 121.305 120.570 -0.132 0.000 2.499 56 I HA 0.513 4.683 4.170 0.000 0.000 0.288 56 I C 0.806 176.846 176.117 -0.128 0.000 1.048 56 I CA -0.498 60.738 61.300 -0.108 0.000 1.062 56 I CB 1.905 39.822 38.000 -0.139 0.000 1.238 56 I HN 0.980 nan 8.210 nan 0.000 0.426 57 G N 4.352 113.029 108.800 -0.206 0.000 2.323 57 G HA2 -0.049 3.911 3.960 0.000 0.000 0.292 57 G HA3 -0.049 3.911 3.960 0.000 0.000 0.292 57 G C 0.880 175.565 174.900 -0.358 0.000 1.040 57 G CA 0.692 45.444 45.100 -0.579 0.000 0.942 57 G HN 1.528 nan 8.290 nan 0.000 0.506 58 G N -0.708 107.983 108.800 -0.182 0.000 3.181 58 G HA2 -0.319 3.641 3.960 0.000 0.000 0.322 58 G HA3 -0.319 3.641 3.960 0.000 0.000 0.322 58 G C 0.915 175.735 174.900 -0.133 0.000 1.246 58 G CA 0.822 45.843 45.100 -0.130 0.000 0.989 58 G HN 1.385 nan 8.290 nan 0.000 0.607 59 L N 1.605 122.756 121.223 -0.121 0.000 3.069 59 L HA 0.530 4.870 4.340 0.000 0.000 0.271 59 L C 2.626 179.445 176.870 -0.086 0.000 1.201 59 L CA 0.752 55.530 54.840 -0.102 0.000 1.015 59 L CB 0.511 42.521 42.059 -0.081 0.000 1.371 59 L HN 0.624 nan 8.230 nan 0.000 0.574 60 A N -0.421 122.331 122.820 -0.112 0.000 2.014 60 A HA -0.194 4.126 4.320 0.000 0.000 0.218 60 A C 1.884 179.453 177.584 -0.025 0.000 1.163 60 A CA 1.387 53.372 52.037 -0.086 0.000 0.652 60 A CB -0.225 18.667 19.000 -0.180 0.000 0.808 60 A HN 0.488 nan 8.150 nan 0.000 0.449 61 Y N -1.042 119.184 120.300 -0.123 0.000 2.382 61 Y HA 0.422 4.972 4.550 -0.000 0.000 0.292 61 Y C 1.377 177.232 175.900 -0.074 0.000 1.151 61 Y CA 0.640 58.697 58.100 -0.072 0.000 1.198 61 Y CB 0.109 38.540 38.460 -0.048 0.000 1.195 61 Y HN 0.311 nan 8.280 nan 0.000 0.530 62 G N -0.529 108.334 108.800 0.105 0.000 3.015 62 G HA2 0.180 4.140 3.960 0.000 0.000 0.281 62 G HA3 0.180 4.140 3.960 0.000 0.000 0.281 62 G C -0.557 174.269 174.900 -0.123 0.000 1.386 62 G CA -0.356 44.732 45.100 -0.020 0.000 0.959 62 G HN 0.305 nan 8.290 nan 0.000 0.522 63 N N -1.048 117.576 118.700 -0.126 0.000 2.494 63 N HA 0.008 4.748 4.740 0.000 0.000 0.182 63 N C 0.265 175.683 175.510 -0.153 0.000 1.076 63 N CA 0.489 53.471 53.050 -0.113 0.000 0.908 63 N CB 0.332 38.778 38.487 -0.069 0.000 0.967 63 N HN 0.556 nan 8.380 nan 0.000 0.449 64 E N 0.219 120.256 120.200 -0.271 0.000 2.175 64 E HA 0.340 4.690 4.350 0.000 0.000 0.278 64 E C -0.590 175.836 176.600 -0.291 0.000 0.969 64 E CA -0.742 55.495 56.400 -0.270 0.000 0.796 64 E CB 1.369 30.873 29.700 -0.327 0.000 1.104 64 E HN 0.356 nan 8.360 nan 0.000 0.395 65 S N 1.880 117.479 115.700 -0.169 0.000 2.681 65 S HA 0.391 4.861 4.470 0.000 0.000 0.299 65 S C -2.140 172.404 174.600 -0.094 0.000 1.113 65 S CA -1.536 56.584 58.200 -0.134 0.000 1.013 65 S CB 1.824 64.970 63.200 -0.089 0.000 1.076 65 S HN 0.136 nan 8.310 nan 0.000 0.534 66 P HA -0.080 nan 4.420 nan 0.000 0.216 66 P C 0.243 177.531 177.300 -0.020 0.000 1.150 66 P CA 1.436 64.517 63.100 -0.032 0.000 0.837 66 P CB -0.153 31.533 31.700 -0.024 0.000 0.786 67 D N -0.934 119.451 120.400 -0.024 0.000 2.097 67 D HA -0.140 4.500 4.640 0.000 0.000 0.197 67 D C 2.084 178.380 176.300 -0.007 0.000 0.984 67 D CA 1.799 55.790 54.000 -0.014 0.000 0.826 67 D CB -0.729 40.062 40.800 -0.016 0.000 0.973 67 D HN 0.208 nan 8.370 nan 0.000 0.460 68 S N 0.066 115.756 115.700 -0.016 0.000 2.428 68 S HA -0.056 4.414 4.470 0.000 0.000 0.230 68 S C 2.038 176.645 174.600 0.012 0.000 1.014 68 S CA 0.273 58.471 58.200 -0.003 0.000 0.957 68 S CB -0.523 62.665 63.200 -0.020 0.000 0.784 68 S HN 0.223 nan 8.310 nan 0.000 0.499 69 I N 1.911 122.482 120.570 0.001 0.000 2.179 69 I HA -0.165 4.005 4.170 0.000 0.000 0.242 69 I C 2.772 178.911 176.117 0.037 0.000 1.088 69 I CA 1.628 62.943 61.300 0.025 0.000 1.357 69 I CB -0.275 37.741 38.000 0.027 0.000 1.051 69 I HN 0.335 nan 8.210 nan 0.000 0.409 70 K N 0.588 121.002 120.400 0.024 0.000 2.057 70 K HA -0.176 4.144 4.320 0.000 0.000 0.207 70 K C 2.058 178.676 176.600 0.029 0.000 1.049 70 K CA 1.969 58.270 56.287 0.023 0.000 0.931 70 K CB -0.104 32.403 32.500 0.012 0.000 0.714 70 K HN 0.200 nan 8.250 nan 0.000 0.440 71 T N 0.909 115.483 114.554 0.033 0.000 2.652 71 T HA -0.134 4.216 4.350 0.000 0.000 0.267 71 T C 1.504 176.259 174.700 0.091 0.000 1.039 71 T CA 1.933 64.060 62.100 0.045 0.000 1.153 71 T CB -0.429 68.470 68.868 0.052 0.000 0.863 71 T HN 0.438 nan 8.240 nan 0.000 0.428 72 N N 0.274 119.055 118.700 0.136 0.000 2.244 72 N HA 0.064 4.804 4.740 0.000 0.000 0.183 72 N C 1.843 177.475 175.510 0.203 0.000 1.016 72 N CA 0.631 53.831 53.050 0.250 0.000 0.866 72 N CB -0.142 38.447 38.487 0.169 0.000 0.980 72 N HN 0.325 nan 8.380 nan 0.000 0.430 73 I N 1.074 121.708 120.570 0.107 0.000 2.233 73 I HA -0.215 3.955 4.170 0.000 0.000 0.243 73 I C 1.526 177.667 176.117 0.040 0.000 1.093 73 I CA 1.038 62.383 61.300 0.076 0.000 1.380 73 I CB -0.207 37.822 38.000 0.049 0.000 1.067 73 I HN 0.079 nan 8.210 nan 0.000 0.413 74 D N 0.547 120.955 120.400 0.013 0.000 2.117 74 D HA -0.212 4.428 4.640 0.000 0.000 0.197 74 D C 2.226 178.471 176.300 -0.092 0.000 0.987 74 D CA 1.278 55.261 54.000 -0.029 0.000 0.829 74 D CB -0.238 40.544 40.800 -0.030 0.000 0.961 74 D HN 0.118 nan 8.370 nan 0.000 0.460 75 R N -0.917 119.494 120.500 -0.149 0.000 2.127 75 R HA 0.047 4.387 4.340 0.000 0.000 0.217 75 R C 1.420 177.289 176.300 -0.718 0.000 1.074 75 R CA 0.981 56.818 56.100 -0.438 0.000 0.991 75 R CB -0.083 29.892 30.300 -0.543 0.000 0.895 75 R HN 0.143 nan 8.270 nan 0.000 0.450 76 F N -2.589 117.361 119.950 0.000 0.000 2.640 76 F HA 0.216 4.743 4.527 -0.000 0.000 0.285 76 F C 1.802 177.603 175.800 0.001 0.000 1.031 76 F CA -0.023 57.977 58.000 0.001 0.000 1.240 76 F CB -0.029 38.972 39.000 0.001 0.000 1.011 76 F HN -0.261 nan 8.300 nan 0.000 0.656 77 V N 0.343 120.355 119.914 0.164 0.000 2.323 77 V HA -0.182 3.938 4.120 0.000 0.000 0.244 77 V C 2.602 178.724 176.094 0.046 0.000 1.041 77 V CA 1.836 64.193 62.300 0.094 0.000 1.025 77 V CB -1.221 30.647 31.823 0.074 0.000 0.656 77 V HN 0.296 nan 8.190 nan 0.000 0.451 78 A N 0.788 123.622 122.820 0.023 0.000 1.873 78 A HA -0.181 4.139 4.320 0.000 0.000 0.218 78 A C 0.575 178.157 177.584 -0.003 0.000 1.193 78 A CA 2.422 54.460 52.037 0.002 0.000 0.629 78 A CB -2.054 16.938 19.000 -0.013 0.000 0.826 78 A HN 0.531 nan 8.150 nan 0.000 0.447 79 P HA -0.116 nan 4.420 nan 0.000 0.218 79 P C 1.423 178.727 177.300 0.008 0.000 1.148 79 P CA 0.828 63.920 63.100 -0.013 0.000 0.822 79 P CB -0.084 31.595 31.700 -0.035 0.000 0.784 80 L N -1.838 119.400 121.223 0.025 0.000 2.156 80 L HA -0.071 4.269 4.340 0.000 0.000 0.208 80 L C 2.155 179.035 176.870 0.016 0.000 1.095 80 L CA 1.139 55.997 54.840 0.029 0.000 0.770 80 L CB -0.420 41.667 42.059 0.046 0.000 0.914 80 L HN -0.014 nan 8.230 nan 0.000 0.439 81 L N -1.016 120.214 121.223 0.011 0.000 2.408 81 L HA 0.111 4.451 4.340 0.000 0.000 0.215 81 L C 0.910 177.779 176.870 -0.002 0.000 1.081 81 L CA -0.148 54.693 54.840 0.002 0.000 0.840 81 L CB 0.231 42.290 42.059 0.001 0.000 1.002 81 L HN 0.060 nan 8.230 nan 0.000 0.468 82 I N 1.305 121.874 120.570 -0.001 0.000 2.742 82 I HA -0.029 4.141 4.170 0.000 0.000 0.287 82 I C 1.317 177.435 176.117 0.001 0.000 1.186 82 I CA 1.096 62.395 61.300 -0.002 0.000 1.417 82 I CB 0.287 38.285 38.000 -0.003 0.000 1.377 82 I HN 0.398 nan 8.210 nan 0.000 0.556 83 G N 4.088 112.890 108.800 0.004 0.000 2.232 83 G HA2 -0.175 3.785 3.960 0.000 0.000 0.226 83 G HA3 -0.175 3.785 3.960 0.000 0.000 0.226 83 G C 0.236 175.141 174.900 0.009 0.000 0.996 83 G CA -0.593 44.514 45.100 0.011 0.000 0.626 83 G HN 0.503 nan 8.290 nan 0.000 0.509 84 Q N 0.928 120.725 119.800 -0.005 0.000 2.306 84 Q HA 0.411 4.751 4.340 0.000 0.000 0.241 84 Q C -0.385 175.579 176.000 -0.059 0.000 0.948 84 Q CA -0.417 55.372 55.803 -0.023 0.000 0.886 84 Q CB 1.245 29.968 28.738 -0.025 0.000 1.227 84 Q HN 0.382 nan 8.270 nan 0.000 0.457 85 D N 0.367 120.695 120.400 -0.119 0.000 2.346 85 D HA 0.140 4.780 4.640 0.000 0.000 0.260 85 D C 0.501 176.665 176.300 -0.226 0.000 1.252 85 D CA 0.101 53.920 54.000 -0.302 0.000 0.895 85 D CB 0.717 41.205 40.800 -0.521 0.000 1.097 85 D HN 0.538 nan 8.370 nan 0.000 0.489 86 A N 3.159 125.874 122.820 -0.176 0.000 2.121 86 A HA -0.105 4.215 4.320 0.000 0.000 0.218 86 A C 2.044 179.561 177.584 -0.112 0.000 1.154 86 A CA 1.323 53.296 52.037 -0.108 0.000 0.679 86 A CB -0.458 18.504 19.000 -0.064 0.000 0.795 86 A HN 0.605 nan 8.150 nan 0.000 0.458 87 S N -0.397 115.202 115.700 -0.168 0.000 2.522 87 S HA -0.013 4.457 4.470 0.000 0.000 0.227 87 S C 0.728 175.272 174.600 -0.092 0.000 0.986 87 S CA 0.500 58.634 58.200 -0.111 0.000 0.929 87 S CB -0.288 62.857 63.200 -0.091 0.000 0.769 87 S HN 0.434 nan 8.310 nan 0.000 0.529 88 N N 1.239 119.871 118.700 -0.114 0.000 2.817 88 N HA 0.361 5.101 4.740 0.000 0.000 0.234 88 N C 0.476 175.952 175.510 -0.057 0.000 1.066 88 N CA -0.383 52.623 53.050 -0.072 0.000 0.926 88 N CB 0.152 38.595 38.487 -0.073 0.000 1.176 88 N HN 0.327 nan 8.380 nan 0.000 0.506 89 I N 1.285 121.828 120.570 -0.045 0.000 2.226 89 I HA -0.250 3.920 4.170 0.000 0.000 0.245 89 I C 2.054 178.154 176.117 -0.027 0.000 1.100 89 I CA 0.703 61.981 61.300 -0.036 0.000 1.374 89 I CB -0.123 37.858 38.000 -0.033 0.000 1.057 89 I HN 0.422 nan 8.210 nan 0.000 0.413 90 N N 1.542 120.229 118.700 -0.022 0.000 2.069 90 N HA -0.189 4.551 4.740 0.000 0.000 0.191 90 N C 1.833 177.333 175.510 -0.015 0.000 1.031 90 N CA 2.008 55.049 53.050 -0.016 0.000 0.852 90 N CB -0.155 38.325 38.487 -0.011 0.000 1.018 90 N HN 0.319 nan 8.380 nan 0.000 0.423 91 A N 0.115 122.923 122.820 -0.019 0.000 1.933 91 A HA 0.054 4.374 4.320 0.000 0.000 0.218 91 A C 2.350 179.923 177.584 -0.017 0.000 1.175 91 A CA 1.974 54.001 52.037 -0.017 0.000 0.628 91 A CB -1.214 17.773 19.000 -0.021 0.000 0.814 91 A HN 0.475 nan 8.150 nan 0.000 0.444 92 A N -0.902 121.904 122.820 -0.024 0.000 1.873 92 A HA -0.082 4.238 4.320 0.000 0.000 0.215 92 A C 2.136 179.713 177.584 -0.011 0.000 1.186 92 A CA 1.929 53.954 52.037 -0.020 0.000 0.616 92 A CB -0.444 18.539 19.000 -0.029 0.000 0.823 92 A HN 0.413 nan 8.150 nan 0.000 0.442 93 M N -0.416 119.177 119.600 -0.012 0.000 2.229 93 M HA 0.041 4.521 4.480 0.000 0.000 0.264 93 M C 2.034 178.332 176.300 -0.003 0.000 1.063 93 M CA 1.042 56.338 55.300 -0.007 0.000 1.114 93 M CB -1.337 31.257 32.600 -0.010 0.000 1.387 93 M HN 0.366 nan 8.290 nan 0.000 0.420 94 L N -0.870 120.350 121.223 -0.005 0.000 2.156 94 L HA -0.143 4.197 4.340 0.000 0.000 0.208 94 L C 2.713 179.582 176.870 -0.001 0.000 1.095 94 L CA 0.804 55.642 54.840 -0.003 0.000 0.770 94 L CB -0.545 41.511 42.059 -0.004 0.000 0.914 94 L HN 0.302 nan 8.230 nan 0.000 0.439 95 R N 0.637 121.137 120.500 -0.000 0.000 2.075 95 R HA -0.142 4.198 4.340 0.000 0.000 0.232 95 R C 2.272 178.577 176.300 0.009 0.000 1.126 95 R CA 1.226 57.329 56.100 0.004 0.000 0.963 95 R CB -0.101 30.201 30.300 0.003 0.000 0.858 95 R HN 0.312 nan 8.270 nan 0.000 0.435 96 L N 0.346 121.574 121.223 0.009 0.000 2.056 96 L HA -0.133 4.207 4.340 0.000 0.000 0.207 96 L C 2.450 179.326 176.870 0.010 0.000 1.078 96 L CA 1.264 56.114 54.840 0.016 0.000 0.749 96 L CB -0.479 41.590 42.059 0.016 0.000 0.901 96 L HN 0.217 nan 8.230 nan 0.000 0.433 97 E N 0.693 120.896 120.200 0.005 0.000 2.160 97 E HA -0.264 4.086 4.350 0.000 0.000 0.195 97 E C 2.136 178.735 176.600 -0.002 0.000 0.991 97 E CA 1.445 57.846 56.400 0.001 0.000 0.810 97 E CB -0.070 29.630 29.700 0.000 0.000 0.742 97 E HN 0.624 nan 8.360 nan 0.000 0.466 98 Q N -1.410 118.390 119.800 0.000 0.000 2.297 98 Q HA 0.053 4.393 4.340 0.000 0.000 0.204 98 Q C 1.524 177.523 176.000 -0.002 0.000 0.962 98 Q CA 1.522 57.325 55.803 -0.001 0.000 0.879 98 Q CB 0.154 28.893 28.738 0.001 0.000 0.947 98 Q HN 0.001 nan 8.270 nan 0.000 0.462 99 S N -0.129 115.572 115.700 0.001 0.000 2.526 99 S HA 0.364 4.834 4.470 0.000 0.000 0.220 99 S C 0.198 174.784 174.600 -0.022 0.000 1.017 99 S CA -0.377 57.823 58.200 -0.000 0.000 0.930 99 S CB 0.627 63.842 63.200 0.024 0.000 0.856 99 S HN 0.252 nan 8.310 nan 0.000 0.497 100 I N 2.919 123.476 120.570 -0.021 0.000 2.439 100 I HA 0.399 4.569 4.170 0.000 0.000 0.285 100 I C -0.644 175.450 176.117 -0.037 0.000 1.021 100 I CA -0.734 60.539 61.300 -0.044 0.000 1.091 100 I CB 1.298 39.288 38.000 -0.016 0.000 1.242 100 I HN -0.135 nan 8.210 nan 0.000 0.439 101 R N 4.159 124.625 120.500 -0.056 0.000 2.357 101 R HA 0.584 4.924 4.340 0.000 0.000 0.296 101 R C 0.702 176.986 176.300 -0.028 0.000 1.052 101 R CA 0.144 56.221 56.100 -0.037 0.000 0.988 101 R CB 1.101 31.374 30.300 -0.045 0.000 1.025 101 R HN 0.913 nan 8.270 nan 0.000 0.469 102 G N 2.892 111.688 108.800 -0.005 0.000 2.574 102 G HA2 -0.400 3.560 3.960 0.000 0.000 0.286 102 G HA3 -0.400 3.560 3.960 0.000 0.000 0.286 102 G C -0.159 174.760 174.900 0.031 0.000 1.212 102 G CA 0.287 45.396 45.100 0.015 0.000 0.979 102 G HN 0.803 nan 8.290 nan 0.000 0.557 103 N N -0.066 118.663 118.700 0.048 0.000 2.727 103 N HA -0.253 4.487 4.740 0.000 0.000 0.249 103 N C 1.567 177.144 175.510 0.113 0.000 1.048 103 N CA 1.968 55.063 53.050 0.074 0.000 0.714 103 N CB -1.341 37.169 38.487 0.038 0.000 0.959 103 N HN 1.526 nan 8.380 nan 0.000 0.544 104 T N -3.412 111.233 114.554 0.151 0.000 2.788 104 T HA -0.108 4.242 4.350 0.000 0.000 0.268 104 T C 1.584 176.349 174.700 0.108 0.000 1.044 104 T CA 0.921 63.085 62.100 0.107 0.000 1.139 104 T CB -0.306 68.605 68.868 0.072 0.000 0.867 104 T HN 0.208 nan 8.240 nan 0.000 0.454 105 F N 2.535 122.483 119.950 -0.003 0.000 2.102 105 F HA 0.153 4.680 4.527 0.000 0.000 0.298 105 F C 3.002 178.795 175.800 -0.011 0.000 1.105 105 F CA 0.716 58.710 58.000 -0.010 0.000 1.239 105 F CB -1.155 37.837 39.000 -0.012 0.000 0.991 105 F HN 0.279 nan 8.300 nan 0.000 0.474 106 A N -0.046 122.892 122.820 0.197 0.000 1.877 106 A HA -0.214 4.106 4.320 0.000 0.000 0.216 106 A C 2.224 179.844 177.584 0.061 0.000 1.186 106 A CA 1.787 53.888 52.037 0.106 0.000 0.620 106 A CB -0.693 18.360 19.000 0.089 0.000 0.822 106 A HN 0.337 nan 8.150 nan 0.000 0.443 107 K N -0.344 120.087 120.400 0.052 0.000 2.103 107 K HA -0.124 4.196 4.320 0.000 0.000 0.207 107 K C 2.419 179.018 176.600 -0.003 0.000 1.048 107 K CA 1.354 57.654 56.287 0.022 0.000 0.930 107 K CB -0.221 32.290 32.500 0.018 0.000 0.716 107 K HN 0.452 nan 8.250 nan 0.000 0.444 108 S N 0.201 115.890 115.700 -0.018 0.000 2.368 108 S HA -0.120 4.350 4.470 0.000 0.000 0.225 108 S C 2.092 176.665 174.600 -0.045 0.000 1.030 108 S CA 1.560 59.726 58.200 -0.057 0.000 0.999 108 S CB -0.479 62.650 63.200 -0.119 0.000 0.844 108 S HN 0.494 nan 8.310 nan 0.000 0.459 109 G N 1.690 110.479 108.800 -0.019 0.000 2.408 109 G HA2 -0.083 3.877 3.960 0.000 0.000 0.217 109 G HA3 -0.083 3.877 3.960 0.000 0.000 0.217 109 G C 1.403 176.294 174.900 -0.016 0.000 1.150 109 G CA 0.800 45.891 45.100 -0.015 0.000 0.776 109 G HN 0.493 nan 8.290 nan 0.000 0.542 110 I N 0.951 121.517 120.570 -0.007 0.000 2.179 110 I HA -0.113 4.057 4.170 0.000 0.000 0.242 110 I C 2.503 178.608 176.117 -0.021 0.000 1.088 110 I CA 1.327 62.622 61.300 -0.008 0.000 1.357 110 I CB -0.995 37.007 38.000 0.003 0.000 1.051 110 I HN 0.345 nan 8.210 nan 0.000 0.409 111 E N 0.733 120.918 120.200 -0.026 0.000 2.150 111 E HA -0.163 4.187 4.350 0.000 0.000 0.193 111 E C 2.274 178.846 176.600 -0.048 0.000 0.985 111 E CA 1.281 57.660 56.400 -0.035 0.000 0.814 111 E CB 0.240 29.919 29.700 -0.035 0.000 0.752 111 E HN 0.333 nan 8.360 nan 0.000 0.466 112 S N 0.379 116.047 115.700 -0.054 0.000 2.368 112 S HA -0.168 4.302 4.470 0.000 0.000 0.225 112 S C 2.014 176.575 174.600 -0.064 0.000 1.030 112 S CA 1.015 59.174 58.200 -0.069 0.000 0.999 112 S CB -0.203 62.955 63.200 -0.071 0.000 0.844 112 S HN 0.465 nan 8.310 nan 0.000 0.459 113 A N 1.375 124.166 122.820 -0.047 0.000 1.902 113 A HA 0.014 4.334 4.320 0.000 0.000 0.217 113 A C 2.122 179.680 177.584 -0.043 0.000 1.181 113 A CA 1.100 53.112 52.037 -0.041 0.000 0.623 113 A CB -0.718 18.266 19.000 -0.027 0.000 0.818 113 A HN 0.443 nan 8.150 nan 0.000 0.443 114 L N -0.719 120.479 121.223 -0.041 0.000 2.046 114 L HA -0.177 4.163 4.340 0.000 0.000 0.208 114 L C 2.563 179.403 176.870 -0.049 0.000 1.077 114 L CA 1.038 55.853 54.840 -0.042 0.000 0.747 114 L CB -0.483 41.553 42.059 -0.038 0.000 0.896 114 L HN 0.375 nan 8.230 nan 0.000 0.432 115 L N -0.521 120.667 121.223 -0.059 0.000 2.056 115 L HA -0.232 4.108 4.340 0.000 0.000 0.207 115 L C 2.255 179.073 176.870 -0.086 0.000 1.078 115 L CA 1.264 56.062 54.840 -0.071 0.000 0.749 115 L CB -0.483 41.526 42.059 -0.083 0.000 0.901 115 L HN 0.293 nan 8.230 nan 0.000 0.433 116 D N 0.067 120.413 120.400 -0.091 0.000 2.084 116 D HA -0.191 4.449 4.640 0.000 0.000 0.194 116 D C 2.158 178.418 176.300 -0.066 0.000 0.990 116 D CA 1.527 55.470 54.000 -0.095 0.000 0.826 116 D CB 0.111 40.861 40.800 -0.083 0.000 0.971 116 D HN 0.231 nan 8.370 nan 0.000 0.453 117 A N -0.099 122.691 122.820 -0.050 0.000 1.877 117 A HA -0.224 4.096 4.320 0.000 0.000 0.216 117 A C 2.221 179.785 177.584 -0.033 0.000 1.186 117 A CA 2.102 54.118 52.037 -0.036 0.000 0.620 117 A CB -0.986 17.996 19.000 -0.029 0.000 0.822 117 A HN 0.353 nan 8.150 nan 0.000 0.443 118 Q N -0.199 119.578 119.800 -0.039 0.000 2.170 118 Q HA -0.026 4.314 4.340 0.000 0.000 0.203 118 Q C 1.883 177.864 176.000 -0.031 0.000 0.976 118 Q CA 1.992 57.776 55.803 -0.032 0.000 0.858 118 Q CB -0.813 27.904 28.738 -0.036 0.000 0.907 118 Q HN 0.517 nan 8.270 nan 0.000 0.433 119 G N 0.269 109.042 108.800 -0.045 0.000 2.402 119 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 119 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 119 G C 1.249 176.130 174.900 -0.031 0.000 1.162 119 G CA 0.768 45.840 45.100 -0.045 0.000 0.777 119 G HN 0.343 nan 8.290 nan 0.000 0.539 120 K N -0.095 120.286 120.400 -0.032 0.000 2.057 120 K HA -0.028 4.292 4.320 0.000 0.000 0.207 120 K C 2.532 179.125 176.600 -0.011 0.000 1.049 120 K CA 0.931 57.206 56.287 -0.021 0.000 0.931 120 K CB -0.135 32.353 32.500 -0.021 0.000 0.714 120 K HN 0.180 nan 8.250 nan 0.000 0.440 121 R N 1.103 121.597 120.500 -0.011 0.000 2.096 121 R HA -0.086 4.254 4.340 0.000 0.000 0.235 121 R C 1.697 177.998 176.300 0.001 0.000 1.127 121 R CA 1.234 57.333 56.100 -0.002 0.000 0.968 121 R CB -0.004 30.297 30.300 0.001 0.000 0.861 121 R HN 0.152 nan 8.270 nan 0.000 0.440 122 L N -0.770 120.451 121.223 -0.003 0.000 2.640 122 L HA 0.297 4.637 4.340 0.000 0.000 0.230 122 L C 0.872 177.742 176.870 -0.000 0.000 1.123 122 L CA 0.290 55.130 54.840 0.000 0.000 0.900 122 L CB 0.615 42.674 42.059 -0.000 0.000 1.146 122 L HN 0.513 nan 8.230 nan 0.000 0.484 123 G N 1.545 110.343 108.800 -0.003 0.000 2.246 123 G HA2 -0.266 3.694 3.960 0.000 0.000 0.273 123 G HA3 -0.266 3.694 3.960 0.000 0.000 0.273 123 G C -0.221 174.680 174.900 0.001 0.000 1.055 123 G CA 0.157 45.257 45.100 -0.001 0.000 0.851 123 G HN 0.256 nan 8.290 nan 0.000 0.500 124 L N 0.144 121.366 121.223 -0.002 0.000 2.388 124 L HA 0.606 4.946 4.340 0.000 0.000 0.264 124 L C -2.019 174.853 176.870 0.002 0.000 0.998 124 L CA -2.662 52.181 54.840 0.005 0.000 0.817 124 L CB 2.753 44.816 42.059 0.006 0.000 1.338 124 L HN -0.091 nan 8.230 nan 0.000 0.414 125 P HA 0.086 nan 4.420 nan 0.000 0.274 125 P C 0.847 178.158 177.300 0.019 0.000 1.237 125 P CA -0.379 62.747 63.100 0.043 0.000 0.793 125 P CB 1.465 33.265 31.700 0.166 0.000 0.977 126 V N 1.645 121.481 119.914 -0.130 0.000 2.324 126 V HA -0.280 3.840 4.120 0.000 0.000 0.250 126 V C 2.745 178.883 176.094 0.073 0.000 1.060 126 V CA 2.987 65.219 62.300 -0.113 0.000 1.042 126 V CB -1.741 29.885 31.823 -0.328 0.000 0.650 126 V HN 0.752 nan 8.190 nan 0.000 0.450 127 S N 0.047 115.931 115.700 0.308 0.000 2.402 127 S HA -0.253 4.217 4.470 0.000 0.000 0.233 127 S C 1.733 176.384 174.600 0.085 0.000 1.030 127 S CA 1.608 59.915 58.200 0.178 0.000 1.003 127 S CB -0.397 62.873 63.200 0.116 0.000 0.813 127 S HN 0.665 nan 8.310 nan 0.000 0.477 128 E N 1.546 121.792 120.200 0.076 0.000 2.170 128 E HA 0.182 4.532 4.350 0.000 0.000 0.191 128 E C 2.149 178.765 176.600 0.026 0.000 0.981 128 E CA 0.458 56.883 56.400 0.041 0.000 0.830 128 E CB -0.545 29.176 29.700 0.035 0.000 0.775 128 E HN 0.543 nan 8.360 nan 0.000 0.470 129 L N 0.349 121.584 121.223 0.020 0.000 2.141 129 L HA -0.085 4.255 4.340 0.000 0.000 0.209 129 L C 2.138 179.013 176.870 0.008 0.000 1.094 129 L CA 0.766 55.609 54.840 0.005 0.000 0.763 129 L CB -0.322 41.730 42.059 -0.012 0.000 0.908 129 L HN 0.071 nan 8.230 nan 0.000 0.437 130 L N -0.784 120.449 121.223 0.017 0.000 2.627 130 L HA 0.114 4.454 4.340 0.000 0.000 0.233 130 L C 1.457 178.342 176.870 0.024 0.000 1.144 130 L CA 0.655 55.506 54.840 0.019 0.000 0.892 130 L CB -0.229 41.845 42.059 0.025 0.000 1.039 130 L HN 0.487 nan 8.230 nan 0.000 0.442 131 G N -0.906 107.908 108.800 0.023 0.000 2.617 131 G HA2 0.017 3.977 3.960 0.000 0.000 0.197 131 G HA3 0.017 3.977 3.960 0.000 0.000 0.197 131 G C 0.462 175.375 174.900 0.023 0.000 1.017 131 G CA -0.337 44.776 45.100 0.022 0.000 0.713 131 G HN 0.705 nan 8.290 nan 0.000 0.481 132 G N -0.180 108.636 108.800 0.027 0.000 2.653 132 G HA2 0.527 4.487 3.960 0.000 0.000 0.656 132 G HA3 0.527 4.487 3.960 0.000 0.000 0.656 132 G C -0.332 174.582 174.900 0.023 0.000 1.419 132 G CA 0.359 45.474 45.100 0.024 0.000 0.862 132 G HN 1.392 nan 8.290 nan 0.000 0.639 133 R N -0.032 120.479 120.500 0.018 0.000 2.531 133 R HA 0.675 5.015 4.340 0.000 0.000 0.273 133 R C 0.958 177.263 176.300 0.009 0.000 1.070 133 R CA -0.133 55.973 56.100 0.009 0.000 1.112 133 R CB 1.307 31.602 30.300 -0.009 0.000 1.049 133 R HN 1.274 nan 8.270 nan 0.000 0.508 134 V N -1.880 118.039 119.914 0.010 0.000 3.477 134 V HA 0.303 4.423 4.120 0.000 0.000 0.297 134 V C 0.077 176.173 176.094 0.003 0.000 1.433 134 V CA -0.139 62.166 62.300 0.008 0.000 1.052 134 V CB -1.183 30.648 31.823 0.013 0.000 0.895 134 V HN 0.952 nan 8.190 nan 0.000 0.438 135 R N -1.710 118.789 120.500 -0.002 0.000 2.712 135 R HA 0.490 4.830 4.340 0.000 0.000 0.272 135 R C -1.185 175.101 176.300 -0.023 0.000 1.032 135 R CA -0.429 55.665 56.100 -0.009 0.000 0.874 135 R CB 0.858 31.158 30.300 -0.000 0.000 1.256 135 R HN -0.052 nan 8.270 nan 0.000 0.468 136 D N -0.186 120.197 120.400 -0.028 0.000 2.417 136 D HA 0.237 4.877 4.640 0.000 0.000 0.207 136 D C -0.151 176.110 176.300 -0.065 0.000 1.075 136 D CA 0.534 54.511 54.000 -0.038 0.000 0.851 136 D CB 1.354 42.150 40.800 -0.007 0.000 0.976 136 D HN 0.562 nan 8.370 nan 0.000 0.505 137 A N 0.687 123.458 122.820 -0.081 0.000 2.401 137 A HA 0.728 5.048 4.320 0.000 0.000 0.310 137 A C -1.102 176.484 177.584 0.002 0.000 1.075 137 A CA -0.502 51.441 52.037 -0.157 0.000 0.746 137 A CB 1.439 20.219 19.000 -0.368 0.000 1.277 137 A HN 0.053 nan 8.150 nan 0.000 0.425 138 L N 2.752 123.993 121.223 0.031 0.000 2.362 138 L HA 0.495 4.835 4.340 0.000 0.000 0.275 138 L C -2.331 174.558 176.870 0.031 0.000 0.998 138 L CA -2.146 52.743 54.840 0.082 0.000 0.820 138 L CB 2.754 44.851 42.059 0.064 0.000 1.270 138 L HN 0.508 nan 8.230 nan 0.000 0.415 139 P HA 0.097 nan 4.420 nan 0.000 0.271 139 P C -0.958 176.287 177.300 -0.091 0.000 1.216 139 P CA -0.155 62.687 63.100 -0.430 0.000 0.776 139 P CB 1.611 33.114 31.700 -0.328 0.000 0.881 140 V N 2.943 122.870 119.914 0.022 0.000 2.444 140 V HA 0.499 4.619 4.120 0.000 0.000 0.294 140 V C 0.620 176.896 176.094 0.303 0.000 1.022 140 V CA -0.798 61.645 62.300 0.238 0.000 0.850 140 V CB 1.282 33.372 31.823 0.444 0.000 0.992 140 V HN 0.743 nan 8.190 nan 0.000 0.426 141 A N 5.297 128.244 122.820 0.212 0.000 2.272 141 A HA 0.708 5.028 4.320 0.000 0.000 0.275 141 A C -0.677 176.900 177.584 -0.012 0.000 1.096 141 A CA -0.495 51.601 52.037 0.098 0.000 0.822 141 A CB 0.949 20.043 19.000 0.157 0.000 1.088 141 A HN 0.951 nan 8.150 nan 0.000 0.495 142 W N 0.687 121.698 121.300 -0.481 0.000 2.785 142 W HA 0.469 5.129 4.660 0.000 0.000 0.333 142 W C -1.420 174.865 176.519 -0.391 0.000 1.062 142 W CA -0.327 56.551 57.345 -0.778 0.000 1.233 142 W CB 2.034 31.057 29.460 -0.730 0.000 1.413 142 W HN 0.616 nan 8.180 nan 0.000 0.489 143 T N 6.257 119.992 114.554 -1.364 0.000 2.767 143 T HA 0.414 4.764 4.350 0.000 0.000 0.288 143 T C -0.008 174.359 174.700 -0.555 0.000 0.963 143 T CA -0.342 61.381 62.100 -0.629 0.000 1.019 143 T CB 0.863 69.583 68.868 -0.248 0.000 0.923 143 T HN 0.215 nan 8.240 nan 0.000 0.468 144 L N 2.994 124.122 121.223 -0.157 0.000 2.262 144 L HA 0.645 4.985 4.340 0.000 0.000 0.288 144 L C 0.523 177.333 176.870 -0.101 0.000 1.035 144 L CA -0.650 54.161 54.840 -0.050 0.000 0.820 144 L CB 0.930 43.012 42.059 0.039 0.000 1.204 144 L HN 0.807 nan 8.230 nan 0.000 0.424 145 A N 1.132 123.850 122.820 -0.170 0.000 2.958 145 A HA 0.188 4.508 4.320 0.000 0.000 0.214 145 A C 0.971 178.455 177.584 -0.166 0.000 0.902 145 A CA 0.066 51.953 52.037 -0.250 0.000 1.136 145 A CB 0.128 18.765 19.000 -0.605 0.000 1.250 145 A HN 0.667 nan 8.150 nan 0.000 0.497 146 S N -1.108 114.562 115.700 -0.050 0.000 2.461 146 S HA 0.342 4.812 4.470 0.000 0.000 0.228 146 S C 1.595 176.171 174.600 -0.039 0.000 1.005 146 S CA 1.233 59.425 58.200 -0.013 0.000 0.942 146 S CB -0.070 63.151 63.200 0.035 0.000 0.776 146 S HN 2.173 nan 8.310 nan 0.000 0.514 147 G N 0.458 109.216 108.800 -0.071 0.000 2.157 147 G HA2 -0.206 3.754 3.960 0.000 0.000 0.239 147 G HA3 -0.206 3.754 3.960 0.000 0.000 0.239 147 G C -0.346 174.494 174.900 -0.100 0.000 0.982 147 G CA 0.119 45.149 45.100 -0.117 0.000 0.650 147 G HN 0.745 nan 8.290 nan 0.000 0.527 148 D N -1.259 119.127 120.400 -0.023 0.000 2.757 148 D HA 0.639 5.279 4.640 0.000 0.000 0.249 148 D C 1.502 177.886 176.300 0.140 0.000 1.168 148 D CA 0.255 54.272 54.000 0.027 0.000 0.870 148 D CB 1.046 41.860 40.800 0.024 0.000 1.411 148 D HN -0.101 nan 8.370 nan 0.000 0.525 149 T N 1.856 116.533 114.554 0.204 0.000 2.684 149 T HA -0.144 4.206 4.350 0.000 0.000 0.267 149 T C 1.893 176.639 174.700 0.077 0.000 1.036 149 T CA 1.509 63.754 62.100 0.241 0.000 1.148 149 T CB -0.211 68.792 68.868 0.225 0.000 0.863 149 T HN 0.538 nan 8.240 nan 0.000 0.436 150 A N 1.797 124.649 122.820 0.054 0.000 1.902 150 A HA -0.128 4.192 4.320 0.000 0.000 0.217 150 A C 2.263 179.857 177.584 0.016 0.000 1.181 150 A CA 1.575 53.624 52.037 0.021 0.000 0.623 150 A CB -0.431 18.580 19.000 0.019 0.000 0.818 150 A HN 0.482 nan 8.150 nan 0.000 0.443 151 K N -0.438 119.981 120.400 0.032 0.000 2.097 151 K HA -0.126 4.194 4.320 0.000 0.000 0.205 151 K C 1.464 178.082 176.600 0.030 0.000 1.050 151 K CA 1.362 57.668 56.287 0.031 0.000 0.938 151 K CB -0.225 32.298 32.500 0.040 0.000 0.718 151 K HN 0.379 nan 8.250 nan 0.000 0.442 152 D N 1.105 121.529 120.400 0.041 0.000 2.117 152 D HA -0.101 4.539 4.640 0.000 0.000 0.198 152 D C 1.918 178.175 176.300 -0.071 0.000 0.982 152 D CA 0.971 54.980 54.000 0.015 0.000 0.828 152 D CB -0.151 40.676 40.800 0.046 0.000 0.967 152 D HN 0.147 nan 8.370 nan 0.000 0.464 153 I N 1.157 121.680 120.570 -0.079 0.000 2.179 153 I HA -0.269 3.901 4.170 0.000 0.000 0.242 153 I C 2.473 178.527 176.117 -0.104 0.000 1.088 153 I CA 1.052 62.282 61.300 -0.117 0.000 1.357 153 I CB -0.237 37.714 38.000 -0.081 0.000 1.051 153 I HN -0.073 nan 8.210 nan 0.000 0.409 154 A N 0.321 123.107 122.820 -0.056 0.000 1.902 154 A HA -0.279 4.041 4.320 0.000 0.000 0.217 154 A C 2.309 179.864 177.584 -0.048 0.000 1.181 154 A CA 2.036 54.048 52.037 -0.040 0.000 0.623 154 A CB -0.671 18.320 19.000 -0.015 0.000 0.818 154 A HN 0.509 nan 8.150 nan 0.000 0.443 155 E N -0.216 119.962 120.200 -0.036 0.000 2.077 155 E HA -0.107 4.243 4.350 0.000 0.000 0.193 155 E C 2.117 178.661 176.600 -0.093 0.000 0.989 155 E CA 1.030 57.418 56.400 -0.019 0.000 0.800 155 E CB -0.262 29.489 29.700 0.085 0.000 0.746 155 E HN 0.536 nan 8.360 nan 0.000 0.452 156 A N 0.865 123.540 122.820 -0.242 0.000 1.877 156 A HA -0.246 4.074 4.320 0.000 0.000 0.216 156 A C 2.087 179.519 177.584 -0.253 0.000 1.186 156 A CA 1.683 53.348 52.037 -0.621 0.000 0.620 156 A CB -0.581 17.791 19.000 -1.047 0.000 0.822 156 A HN 0.343 nan 8.150 nan 0.000 0.443 157 Q N -0.311 119.399 119.800 -0.150 0.000 2.124 157 Q HA -0.184 4.156 4.340 0.000 0.000 0.202 157 Q C 2.056 178.060 176.000 0.007 0.000 0.977 157 Q CA 1.634 57.413 55.803 -0.039 0.000 0.850 157 Q CB -0.212 28.504 28.738 -0.038 0.000 0.901 157 Q HN 0.648 nan 8.270 nan 0.000 0.429 158 K N 0.009 120.398 120.400 -0.018 0.000 2.026 158 K HA -0.087 4.233 4.320 0.000 0.000 0.208 158 K C 2.050 178.652 176.600 0.003 0.000 1.048 158 K CA 1.139 57.417 56.287 -0.015 0.000 0.929 158 K CB -0.023 32.453 32.500 -0.040 0.000 0.713 158 K HN 0.175 nan 8.250 nan 0.000 0.439 159 M N 0.766 120.384 119.600 0.030 0.000 2.213 159 M HA -0.113 4.367 4.480 0.000 0.000 0.263 159 M C 2.143 178.563 176.300 0.201 0.000 1.062 159 M CA 1.442 56.794 55.300 0.087 0.000 1.105 159 M CB -0.852 31.878 32.600 0.217 0.000 1.385 159 M HN 0.156 nan 8.290 nan 0.000 0.417 160 L N -0.176 121.212 121.223 0.276 0.000 2.027 160 L HA -0.214 4.126 4.340 0.000 0.000 0.206 160 L C 2.099 179.088 176.870 0.199 0.000 1.074 160 L CA 1.013 56.042 54.840 0.315 0.000 0.745 160 L CB -0.663 41.553 42.059 0.263 0.000 0.898 160 L HN 0.240 nan 8.230 nan 0.000 0.433 161 D N 0.208 120.670 120.400 0.105 0.000 2.144 161 D HA -0.137 4.503 4.640 0.000 0.000 0.199 161 D C 2.133 178.439 176.300 0.009 0.000 0.984 161 D CA 1.226 55.258 54.000 0.054 0.000 0.834 161 D CB -0.070 40.746 40.800 0.027 0.000 0.955 161 D HN 0.312 nan 8.370 nan 0.000 0.465 162 L N -0.129 121.081 121.223 -0.022 0.000 2.599 162 L HA 0.166 4.506 4.340 0.000 0.000 0.230 162 L C 0.301 177.063 176.870 -0.180 0.000 1.141 162 L CA -0.005 54.782 54.840 -0.087 0.000 0.877 162 L CB -0.132 41.867 42.059 -0.100 0.000 1.009 162 L HN -0.076 nan 8.230 nan 0.000 0.447 163 R N -0.072 120.310 120.500 -0.197 0.000 3.422 163 R HA -0.193 4.147 4.340 0.000 0.000 0.267 163 R C 1.222 177.024 176.300 -0.830 0.000 1.074 163 R CA 0.132 55.840 56.100 -0.654 0.000 0.718 163 R CB -1.082 28.849 30.300 -0.615 0.000 1.157 163 R HN 0.340 nan 8.270 nan 0.000 0.440 164 R N -0.086 120.151 120.500 -0.439 0.000 2.103 164 R HA 0.169 4.509 4.340 0.000 0.000 0.212 164 R C 0.544 176.425 176.300 -0.698 0.000 1.107 164 R CA 1.150 56.907 56.100 -0.572 0.000 1.025 164 R CB 0.319 30.307 30.300 -0.520 0.000 0.929 164 R HN 0.357 nan 8.270 nan 0.000 0.456 165 H N -0.414 118.787 119.070 0.219 0.000 2.996 165 H HA 0.307 4.863 4.556 0.000 0.000 0.368 165 H C 0.099 175.487 175.328 0.099 0.000 1.185 165 H CA -0.462 55.696 56.048 0.184 0.000 1.160 165 H CB 1.999 31.711 29.762 -0.084 0.000 1.820 165 H HN 0.069 nan 8.280 nan 0.000 0.547 166 R N 0.894 121.306 120.500 -0.147 0.000 2.538 166 R HA 0.405 4.745 4.340 0.000 0.000 0.372 166 R C -0.716 175.339 176.300 -0.408 0.000 0.950 166 R CA 0.005 55.921 56.100 -0.307 0.000 1.168 166 R CB 0.525 30.468 30.300 -0.596 0.000 1.542 166 R HN 0.245 nan 8.270 nan 0.000 0.536 167 I N 1.632 121.846 120.570 -0.594 0.000 2.466 167 I HA 0.451 4.621 4.170 0.000 0.000 0.289 167 I C -1.224 174.522 176.117 -0.618 0.000 1.026 167 I CA -1.027 60.051 61.300 -0.369 0.000 1.078 167 I CB 1.664 39.587 38.000 -0.129 0.000 1.249 167 I HN -0.122 nan 8.210 nan 0.000 0.429 168 F N 4.760 124.774 119.950 0.107 0.000 2.520 168 F HA 0.480 5.007 4.527 0.000 0.000 0.322 168 F C 0.069 175.904 175.800 0.058 0.000 1.103 168 F CA -0.847 57.208 58.000 0.092 0.000 0.926 168 F CB 1.888 40.942 39.000 0.092 0.000 1.154 168 F HN 0.268 nan 8.300 nan 0.000 0.453 169 K N 3.678 124.193 120.400 0.191 0.000 2.307 169 K HA 0.654 4.974 4.320 0.000 0.000 0.263 169 K C -1.783 174.860 176.600 0.071 0.000 0.973 169 K CA -0.618 55.735 56.287 0.111 0.000 0.846 169 K CB 0.800 33.370 32.500 0.116 0.000 1.100 169 K HN 0.525 nan 8.250 nan 0.000 0.438 170 L N 4.662 125.919 121.223 0.057 0.000 2.272 170 L HA 0.360 4.700 4.340 0.000 0.000 0.289 170 L C -0.118 176.758 176.870 0.010 0.000 1.032 170 L CA -0.422 54.444 54.840 0.043 0.000 0.810 170 L CB 1.264 43.360 42.059 0.062 0.000 1.205 170 L HN 0.489 nan 8.230 nan 0.000 0.422 171 K N 5.575 125.960 120.400 -0.023 0.000 2.297 171 K HA 0.582 4.902 4.320 0.000 0.000 0.286 171 K C -0.234 176.331 176.600 -0.059 0.000 1.053 171 K CA -0.071 56.177 56.287 -0.064 0.000 0.940 171 K CB 1.163 33.592 32.500 -0.119 0.000 1.019 171 K HN 0.695 nan 8.250 nan 0.000 0.475 172 I N -3.281 117.230 120.570 -0.099 0.000 3.279 172 I HA 0.710 4.880 4.170 0.000 0.000 0.315 172 I C 0.611 176.616 176.117 -0.187 0.000 1.187 172 I CA -0.822 60.422 61.300 -0.094 0.000 0.953 172 I CB 2.272 40.262 38.000 -0.017 0.000 1.279 172 I HN 0.592 nan 8.210 nan 0.000 0.465 173 G N 0.961 109.691 108.800 -0.116 0.000 2.255 173 G HA2 -0.169 3.791 3.960 0.000 0.000 0.196 173 G HA3 -0.169 3.791 3.960 0.000 0.000 0.196 173 G C 0.779 175.665 174.900 -0.024 0.000 0.998 173 G CA 0.467 45.478 45.100 -0.148 0.000 0.656 173 G HN 1.290 nan 8.290 nan 0.000 0.490 174 A N 0.328 123.131 122.820 -0.029 0.000 2.021 174 A HA 0.646 4.966 4.320 0.000 0.000 0.216 174 A C 1.724 179.313 177.584 0.007 0.000 1.163 174 A CA 2.179 54.206 52.037 -0.017 0.000 0.676 174 A CB -0.292 18.682 19.000 -0.043 0.000 0.818 174 A HN 1.687 nan 8.150 nan 0.000 0.453 175 G N -0.795 108.018 108.800 0.021 0.000 2.795 175 G HA2 0.493 4.453 3.960 0.000 0.000 0.267 175 G HA3 0.493 4.453 3.960 0.000 0.000 0.267 175 G C -0.699 174.242 174.900 0.069 0.000 1.362 175 G CA -0.686 44.431 45.100 0.028 0.000 1.048 175 G HN 0.377 nan 8.290 nan 0.000 0.547 176 E N -0.694 119.534 120.200 0.047 0.000 2.413 176 E HA 0.051 4.401 4.350 0.000 0.000 0.263 176 E C 1.321 177.964 176.600 0.072 0.000 1.015 176 E CA -0.333 56.095 56.400 0.046 0.000 0.916 176 E CB 2.127 31.839 29.700 0.020 0.000 0.947 176 E HN 0.174 nan 8.360 nan 0.000 0.440 177 V N 3.816 123.763 119.914 0.055 0.000 2.252 177 V HA -0.305 3.815 4.120 0.000 0.000 0.249 177 V C 1.283 177.395 176.094 0.029 0.000 1.056 177 V CA 2.356 64.680 62.300 0.040 0.000 1.022 177 V CB -0.190 31.522 31.823 -0.186 0.000 0.641 177 V HN 0.685 nan 8.190 nan 0.000 0.445 178 D N -0.703 119.693 120.400 -0.007 0.000 2.178 178 D HA -0.130 4.510 4.640 0.000 0.000 0.201 178 D C 2.369 178.691 176.300 0.036 0.000 0.980 178 D CA 0.953 54.954 54.000 0.002 0.000 0.842 178 D CB -0.273 40.520 40.800 -0.012 0.000 0.948 178 D HN 0.399 nan 8.370 nan 0.000 0.472 179 R N 0.862 121.388 120.500 0.043 0.000 2.075 179 R HA -0.075 4.265 4.340 0.000 0.000 0.232 179 R C 1.659 178.013 176.300 0.089 0.000 1.126 179 R CA 0.794 56.924 56.100 0.051 0.000 0.963 179 R CB -0.657 29.660 30.300 0.029 0.000 0.858 179 R HN 0.232 nan 8.270 nan 0.000 0.435 180 D N 0.850 121.316 120.400 0.110 0.000 2.117 180 D HA -0.081 4.559 4.640 0.000 0.000 0.197 180 D C 2.132 178.558 176.300 0.210 0.000 0.987 180 D CA 0.780 54.878 54.000 0.163 0.000 0.829 180 D CB -0.150 40.775 40.800 0.207 0.000 0.961 180 D HN 0.135 nan 8.370 nan 0.000 0.460 181 L N 0.585 121.908 121.223 0.167 0.000 2.046 181 L HA -0.136 4.204 4.340 0.000 0.000 0.208 181 L C 2.533 179.463 176.870 0.100 0.000 1.077 181 L CA 1.129 56.048 54.840 0.132 0.000 0.747 181 L CB -0.450 41.653 42.059 0.073 0.000 0.896 181 L HN -0.023 nan 8.230 nan 0.000 0.432 182 A N -0.494 122.381 122.820 0.090 0.000 1.933 182 A HA -0.295 4.025 4.320 0.000 0.000 0.218 182 A C 2.102 179.738 177.584 0.087 0.000 1.175 182 A CA 1.944 54.023 52.037 0.070 0.000 0.628 182 A CB -0.820 18.216 19.000 0.060 0.000 0.814 182 A HN 0.548 nan 8.150 nan 0.000 0.444 183 H N -0.061 119.025 119.070 0.026 0.000 2.290 183 H HA -0.113 4.443 4.556 0.000 0.000 0.298 183 H C 1.815 177.155 175.328 0.019 0.000 1.087 183 H CA 2.353 58.412 56.048 0.018 0.000 1.291 183 H CB -0.376 29.398 29.762 0.020 0.000 1.369 183 H HN 0.109 nan 8.280 nan 0.000 0.492 184 V N 0.742 120.645 119.914 -0.018 0.000 2.295 184 V HA -0.242 3.878 4.120 0.000 0.000 0.246 184 V C 2.718 178.776 176.094 -0.060 0.000 1.049 184 V CA 2.029 64.286 62.300 -0.071 0.000 1.024 184 V CB -0.584 31.275 31.823 0.060 0.000 0.648 184 V HN 0.459 nan 8.190 nan 0.000 0.447 185 I N 0.462 121.025 120.570 -0.011 0.000 2.286 185 I HA -0.243 3.927 4.170 0.000 0.000 0.248 185 I C 2.655 178.754 176.117 -0.030 0.000 1.115 185 I CA 1.465 62.761 61.300 -0.007 0.000 1.392 185 I CB -0.573 37.433 38.000 0.011 0.000 1.065 185 I HN 0.301 nan 8.210 nan 0.000 0.418 186 A N 1.012 123.804 122.820 -0.047 0.000 1.902 186 A HA -0.155 4.165 4.320 0.000 0.000 0.217 186 A C 2.291 179.825 177.584 -0.083 0.000 1.181 186 A CA 1.393 53.398 52.037 -0.053 0.000 0.623 186 A CB -0.707 18.267 19.000 -0.044 0.000 0.818 186 A HN 0.370 nan 8.150 nan 0.000 0.443 187 I N -0.717 119.767 120.570 -0.144 0.000 2.202 187 I HA -0.230 3.940 4.170 0.000 0.000 0.242 187 I C 2.530 178.596 176.117 -0.085 0.000 1.091 187 I CA 1.807 63.016 61.300 -0.152 0.000 1.368 187 I CB -0.196 37.663 38.000 -0.235 0.000 1.058 187 I HN 0.259 nan 8.210 nan 0.000 0.410 188 K N 1.861 122.229 120.400 -0.053 0.000 2.057 188 K HA -0.224 4.096 4.320 0.000 0.000 0.207 188 K C 2.048 178.643 176.600 -0.008 0.000 1.049 188 K CA 1.663 57.944 56.287 -0.010 0.000 0.931 188 K CB -0.303 32.202 32.500 0.008 0.000 0.714 188 K HN 0.145 nan 8.250 nan 0.000 0.440 189 K N -0.329 120.061 120.400 -0.016 0.000 2.057 189 K HA -0.107 4.213 4.320 0.000 0.000 0.207 189 K C 1.885 178.478 176.600 -0.013 0.000 1.049 189 K CA 1.424 57.705 56.287 -0.010 0.000 0.931 189 K CB -0.306 32.187 32.500 -0.011 0.000 0.714 189 K HN 0.183 nan 8.250 nan 0.000 0.440 190 A N 1.168 123.973 122.820 -0.026 0.000 1.930 190 A HA -0.056 4.264 4.320 0.000 0.000 0.217 190 A C 2.061 179.632 177.584 -0.022 0.000 1.175 190 A CA 1.133 53.153 52.037 -0.028 0.000 0.627 190 A CB -0.369 18.604 19.000 -0.046 0.000 0.815 190 A HN 0.335 nan 8.150 nan 0.000 0.443 191 L N -1.637 119.574 121.223 -0.020 0.000 2.307 191 L HA 0.211 4.551 4.340 0.000 0.000 0.211 191 L C 1.846 178.729 176.870 0.023 0.000 1.099 191 L CA 0.358 55.200 54.840 0.003 0.000 0.816 191 L CB -1.069 40.998 42.059 0.013 0.000 0.952 191 L HN 0.610 nan 8.230 nan 0.000 0.455 192 G N 1.025 109.836 108.800 0.018 0.000 2.582 192 G HA2 -0.344 3.616 3.960 0.000 0.000 0.288 192 G HA3 -0.344 3.616 3.960 0.000 0.000 0.288 192 G C 0.249 175.167 174.900 0.030 0.000 1.247 192 G CA 0.370 45.482 45.100 0.020 0.000 0.972 192 G HN 0.310 nan 8.290 nan 0.000 0.557 193 D N 1.096 121.510 120.400 0.023 0.000 2.363 193 D HA 0.054 4.694 4.640 0.000 0.000 0.226 193 D C 2.568 178.880 176.300 0.020 0.000 1.020 193 D CA 1.270 55.282 54.000 0.020 0.000 0.892 193 D CB -0.149 40.657 40.800 0.011 0.000 0.900 193 D HN 0.559 nan 8.370 nan 0.000 0.531 194 S N -0.338 115.382 115.700 0.033 0.000 2.481 194 S HA 0.204 4.674 4.470 0.000 0.000 0.231 194 S C 0.890 175.521 174.600 0.051 0.000 0.996 194 S CA 0.051 58.273 58.200 0.037 0.000 0.942 194 S CB 0.337 63.571 63.200 0.056 0.000 0.768 194 S HN 0.198 nan 8.310 nan 0.000 0.520 195 A N 0.569 123.439 122.820 0.084 0.000 2.587 195 A HA 0.734 5.054 4.320 0.000 0.000 0.293 195 A C -0.562 177.086 177.584 0.107 0.000 1.087 195 A CA -0.503 51.611 52.037 0.129 0.000 0.692 195 A CB 1.410 20.628 19.000 0.363 0.000 1.291 195 A HN 0.245 nan 8.150 nan 0.000 0.407 196 S N 0.419 116.168 115.700 0.081 0.000 2.457 196 S HA 0.580 5.050 4.470 0.000 0.000 0.289 196 S C -0.719 173.967 174.600 0.143 0.000 1.163 196 S CA -0.362 57.888 58.200 0.083 0.000 1.078 196 S CB 0.276 63.502 63.200 0.043 0.000 0.987 196 S HN 0.957 nan 8.310 nan 0.000 0.482 197 V N 6.482 126.479 119.914 0.138 0.000 2.417 197 V HA 0.621 4.741 4.120 0.000 0.000 0.291 197 V C -0.108 176.051 176.094 0.108 0.000 1.024 197 V CA -0.739 61.649 62.300 0.147 0.000 0.861 197 V CB 1.468 33.358 31.823 0.112 0.000 0.985 197 V HN 0.893 nan 8.190 nan 0.000 0.436 198 R N 2.426 122.985 120.500 0.098 0.000 2.888 198 R HA 0.881 5.221 4.340 0.000 0.000 0.266 198 R C -0.883 175.433 176.300 0.027 0.000 1.020 198 R CA -0.712 55.415 56.100 0.046 0.000 0.963 198 R CB 2.290 32.601 30.300 0.017 0.000 1.197 198 R HN 0.650 nan 8.270 nan 0.000 0.481 199 V N -2.188 117.717 119.914 -0.015 0.000 3.001 199 V HA 0.717 4.838 4.120 0.000 0.000 0.314 199 V C -1.236 174.806 176.094 -0.087 0.000 1.099 199 V CA -0.740 61.541 62.300 -0.031 0.000 0.989 199 V CB 2.228 34.039 31.823 -0.020 0.000 1.040 199 V HN 0.691 nan 8.190 nan 0.000 0.434 200 D N 1.295 121.634 120.400 -0.101 0.000 2.620 200 D HA 0.525 5.165 4.640 0.000 0.000 0.252 200 D C 0.144 176.320 176.300 -0.207 0.000 1.207 200 D CA -0.311 53.614 54.000 -0.125 0.000 0.884 200 D CB 2.192 42.965 40.800 -0.044 0.000 1.262 200 D HN 0.378 nan 8.370 nan 0.000 0.552 201 V N 2.820 122.541 119.914 -0.322 0.000 3.650 201 V HA 0.103 4.223 4.120 0.000 0.000 0.271 201 V C 0.615 176.510 176.094 -0.332 0.000 1.281 201 V CA -0.028 61.972 62.300 -0.501 0.000 1.120 201 V CB -1.480 29.779 31.823 -0.940 0.000 0.856 201 V HN 0.769 nan 8.190 nan 0.000 0.443 202 N N 1.368 119.948 118.700 -0.200 0.000 2.714 202 N HA -0.306 4.434 4.740 0.000 0.000 0.252 202 N C 0.539 175.947 175.510 -0.171 0.000 1.014 202 N CA 0.784 53.749 53.050 -0.142 0.000 0.735 202 N CB -0.927 37.508 38.487 -0.086 0.000 0.924 202 N HN 0.733 nan 8.380 nan 0.000 0.540 203 Q N -4.605 115.090 119.800 -0.174 0.000 2.305 203 Q HA -0.357 3.983 4.340 0.000 0.000 0.203 203 Q C 1.364 177.298 176.000 -0.110 0.000 0.663 203 Q CA 1.049 56.774 55.803 -0.130 0.000 1.389 203 Q CB -1.597 27.070 28.738 -0.117 0.000 1.566 203 Q HN 0.706 nan 8.270 nan 0.000 0.755 204 A N -0.210 122.502 122.820 -0.180 0.000 2.019 204 A HA -0.115 4.205 4.320 0.000 0.000 0.219 204 A C 0.510 178.128 177.584 0.058 0.000 1.164 204 A CA 0.899 52.867 52.037 -0.115 0.000 0.644 204 A CB -0.135 18.751 19.000 -0.191 0.000 0.805 204 A HN 0.403 nan 8.150 nan 0.000 0.449 205 W N 0.454 121.739 121.300 -0.025 0.000 2.375 205 W HA 0.477 5.137 4.660 -0.000 0.000 0.336 205 W C -0.624 175.881 176.519 -0.024 0.000 1.160 205 W CA -1.488 55.844 57.345 -0.022 0.000 1.266 205 W CB 0.043 29.491 29.460 -0.021 0.000 1.195 205 W HN 0.065 nan 8.180 nan 0.000 0.599 206 D N 0.203 120.729 120.400 0.210 0.000 2.312 206 D HA 0.004 4.644 4.640 0.000 0.000 0.248 206 D C 1.206 177.554 176.300 0.080 0.000 1.086 206 D CA -0.221 53.838 54.000 0.097 0.000 0.948 206 D CB 1.042 41.868 40.800 0.043 0.000 1.162 206 D HN 0.474 nan 8.370 nan 0.000 0.446 207 E N 1.147 121.377 120.200 0.049 0.000 2.118 207 E HA -0.248 4.102 4.350 0.000 0.000 0.195 207 E C 1.608 178.203 176.600 -0.009 0.000 0.992 207 E CA 1.188 57.607 56.400 0.031 0.000 0.804 207 E CB 0.089 29.799 29.700 0.018 0.000 0.741 207 E HN 0.501 nan 8.360 nan 0.000 0.458 208 A N 0.264 123.071 122.820 -0.022 0.000 1.978 208 A HA -0.154 4.166 4.320 0.000 0.000 0.220 208 A C 2.298 179.824 177.584 -0.097 0.000 1.170 208 A CA 1.539 53.547 52.037 -0.049 0.000 0.636 208 A CB -0.360 18.616 19.000 -0.040 0.000 0.810 208 A HN 0.241 nan 8.150 nan 0.000 0.448 209 V N -0.890 118.945 119.914 -0.132 0.000 2.500 209 V HA -0.049 4.071 4.120 0.000 0.000 0.243 209 V C 2.969 178.821 176.094 -0.403 0.000 1.039 209 V CA 1.422 63.550 62.300 -0.288 0.000 1.053 209 V CB -0.918 30.682 31.823 -0.372 0.000 0.695 209 V HN 0.572 nan 8.190 nan 0.000 0.463 210 A N 1.293 123.973 122.820 -0.233 0.000 1.933 210 A HA -0.176 4.144 4.320 0.000 0.000 0.218 210 A C 2.128 179.657 177.584 -0.092 0.000 1.175 210 A CA 2.106 54.076 52.037 -0.111 0.000 0.628 210 A CB -0.615 18.507 19.000 0.203 0.000 0.814 210 A HN 0.632 nan 8.150 nan 0.000 0.444 211 L N -1.262 119.917 121.223 -0.074 0.000 2.127 211 L HA -0.051 4.289 4.340 0.000 0.000 0.211 211 L C 2.179 179.002 176.870 -0.079 0.000 1.089 211 L CA 2.514 57.322 54.840 -0.054 0.000 0.757 211 L CB -0.670 41.363 42.059 -0.043 0.000 0.899 211 L HN 0.397 nan 8.230 nan 0.000 0.434 212 R N 0.277 120.697 120.500 -0.132 0.000 2.075 212 R HA 0.157 4.497 4.340 0.000 0.000 0.220 212 R C 2.307 178.511 176.300 -0.159 0.000 1.118 212 R CA 0.971 56.992 56.100 -0.132 0.000 0.986 212 R CB -0.378 29.835 30.300 -0.146 0.000 0.884 212 R HN 0.414 nan 8.270 nan 0.000 0.439 213 A N 0.878 123.526 122.820 -0.286 0.000 1.908 213 A HA -0.189 4.131 4.320 0.000 0.000 0.218 213 A C 2.407 179.938 177.584 -0.088 0.000 1.181 213 A CA 1.673 53.517 52.037 -0.322 0.000 0.627 213 A CB -1.041 17.402 19.000 -0.929 0.000 0.818 213 A HN 0.596 nan 8.150 nan 0.000 0.445 214 C N -1.120 118.165 119.300 -0.024 0.000 2.425 214 C HA -0.068 4.392 4.460 0.000 0.000 0.277 214 C C 2.848 177.851 174.990 0.020 0.000 1.280 214 C CA 1.021 60.074 59.018 0.058 0.000 1.744 214 C CB -1.355 26.425 27.740 0.066 0.000 1.989 214 C HN 0.594 nan 8.230 nan 0.000 0.491 215 R N 0.505 120.998 120.500 -0.011 0.000 2.081 215 R HA -0.062 4.278 4.340 0.000 0.000 0.235 215 R C 2.007 178.303 176.300 -0.006 0.000 1.131 215 R CA 1.368 57.461 56.100 -0.010 0.000 0.960 215 R CB -0.333 29.953 30.300 -0.024 0.000 0.856 215 R HN 0.548 nan 8.270 nan 0.000 0.436 216 I N 0.754 121.315 120.570 -0.015 0.000 2.202 216 I HA -0.279 3.891 4.170 0.000 0.000 0.242 216 I C 2.236 178.364 176.117 0.018 0.000 1.091 216 I CA 1.230 62.526 61.300 -0.006 0.000 1.368 216 I CB -0.243 37.744 38.000 -0.022 0.000 1.058 216 I HN 0.137 nan 8.210 nan 0.000 0.410 217 L N 0.433 121.679 121.223 0.039 0.000 2.017 217 L HA -0.151 4.189 4.340 0.000 0.000 0.208 217 L C 2.683 179.580 176.870 0.044 0.000 1.073 217 L CA 1.678 56.554 54.840 0.059 0.000 0.745 217 L CB -1.169 40.951 42.059 0.101 0.000 0.894 217 L HN 0.324 nan 8.230 nan 0.000 0.432 218 G N -0.551 108.271 108.800 0.036 0.000 2.432 218 G HA2 -0.184 3.776 3.960 0.000 0.000 0.219 218 G HA3 -0.184 3.776 3.960 0.000 0.000 0.219 218 G C 1.465 176.381 174.900 0.026 0.000 1.135 218 G CA 0.694 45.812 45.100 0.031 0.000 0.767 218 G HN 0.509 nan 8.290 nan 0.000 0.550 219 G N -0.486 108.326 108.800 0.020 0.000 2.920 219 G HA2 0.022 3.982 3.960 0.000 0.000 0.208 219 G HA3 0.022 3.982 3.960 0.000 0.000 0.208 219 G C 0.964 175.875 174.900 0.017 0.000 1.159 219 G CA -0.112 44.997 45.100 0.016 0.000 0.784 219 G HN 0.385 nan 8.290 nan 0.000 0.535 220 N N 0.367 119.081 118.700 0.023 0.000 2.351 220 N HA 0.166 4.906 4.740 0.000 0.000 0.254 220 N C 1.236 176.762 175.510 0.028 0.000 1.241 220 N CA 0.508 53.571 53.050 0.022 0.000 0.883 220 N CB 1.027 39.527 38.487 0.022 0.000 1.202 220 N HN 0.269 nan 8.380 nan 0.000 0.512 221 G N 1.075 109.895 108.800 0.032 0.000 2.160 221 G HA2 -0.234 3.726 3.960 0.000 0.000 0.251 221 G HA3 -0.234 3.726 3.960 0.000 0.000 0.251 221 G C -0.019 174.911 174.900 0.051 0.000 1.008 221 G CA -0.241 44.883 45.100 0.039 0.000 0.724 221 G HN 0.248 nan 8.290 nan 0.000 0.514 222 I N 1.383 121.984 120.570 0.052 0.000 2.352 222 I HA 0.244 4.414 4.170 0.000 0.000 0.290 222 I C 0.825 176.982 176.117 0.068 0.000 1.036 222 I CA -0.793 60.542 61.300 0.058 0.000 1.336 222 I CB 1.200 39.232 38.000 0.053 0.000 1.407 222 I HN -0.027 nan 8.210 nan 0.000 0.497 223 D N 4.820 125.277 120.400 0.096 0.000 2.234 223 D HA 0.041 4.681 4.640 0.000 0.000 0.205 223 D C 0.401 176.757 176.300 0.094 0.000 0.962 223 D CA 1.095 55.190 54.000 0.160 0.000 0.855 223 D CB 0.563 41.518 40.800 0.258 0.000 0.951 223 D HN 0.274 nan 8.370 nan 0.000 0.500 224 L N -0.060 121.150 121.223 -0.021 0.000 2.506 224 L HA 0.400 4.740 4.340 0.000 0.000 0.257 224 L C -1.864 174.915 176.870 -0.152 0.000 0.964 224 L CA -0.549 54.163 54.840 -0.213 0.000 0.836 224 L CB 2.402 44.229 42.059 -0.388 0.000 1.384 224 L HN -0.243 nan 8.230 nan 0.000 0.410 225 I N 3.244 123.712 120.570 -0.171 0.000 2.420 225 I HA 0.384 4.554 4.170 0.000 0.000 0.282 225 I C -0.430 175.595 176.117 -0.153 0.000 1.019 225 I CA -0.457 60.776 61.300 -0.111 0.000 1.130 225 I CB 1.704 39.687 38.000 -0.029 0.000 1.262 225 I HN 0.619 nan 8.210 nan 0.000 0.454 226 E N 5.883 125.983 120.200 -0.166 0.000 2.229 226 E HA 0.104 4.454 4.350 0.000 0.000 0.283 226 E C -0.084 176.432 176.600 -0.140 0.000 1.030 226 E CA -0.612 55.690 56.400 -0.163 0.000 0.836 226 E CB 0.776 30.381 29.700 -0.159 0.000 1.068 226 E HN 0.455 nan 8.360 nan 0.000 0.401 227 Q N 4.122 123.856 119.800 -0.110 0.000 2.417 227 Q HA -0.174 4.166 4.340 0.000 0.000 0.368 227 Q C -1.927 173.997 176.000 -0.128 0.000 1.359 227 Q CA 0.646 56.391 55.803 -0.097 0.000 1.122 227 Q CB -0.163 28.523 28.738 -0.088 0.000 1.295 227 Q HN 0.503 nan 8.270 nan 0.000 0.337 228 P HA -0.097 nan 4.420 nan 0.000 0.218 228 P C 0.670 177.964 177.300 -0.009 0.000 1.149 228 P CA 1.647 64.696 63.100 -0.085 0.000 0.817 228 P CB -0.078 31.699 31.700 0.130 0.000 0.785 229 I N -5.040 115.539 120.570 0.015 0.000 3.294 229 I HA 0.549 4.719 4.170 0.000 0.000 0.311 229 I C -0.048 176.060 176.117 -0.014 0.000 1.111 229 I CA -1.528 59.793 61.300 0.035 0.000 0.976 229 I CB 1.868 39.911 38.000 0.072 0.000 1.260 229 I HN -0.344 nan 8.210 nan 0.000 0.474 230 S N 0.984 116.679 115.700 -0.009 0.000 2.552 230 S HA 0.070 4.540 4.470 0.000 0.000 0.289 230 S C 1.360 175.939 174.600 -0.034 0.000 1.304 230 S CA 0.004 58.185 58.200 -0.030 0.000 1.063 230 S CB 0.430 63.617 63.200 -0.021 0.000 0.848 230 S HN 0.838 nan 8.310 nan 0.000 0.499 231 R N 3.765 124.235 120.500 -0.049 0.000 2.241 231 R HA -0.087 4.253 4.340 0.000 0.000 0.224 231 R C 1.178 177.457 176.300 -0.036 0.000 1.101 231 R CA 1.997 58.068 56.100 -0.049 0.000 0.995 231 R CB -0.710 29.554 30.300 -0.059 0.000 0.870 231 R HN 0.691 nan 8.270 nan 0.000 0.463 232 N N 0.687 119.369 118.700 -0.031 0.000 2.409 232 N HA -0.089 4.651 4.740 0.000 0.000 0.179 232 N C 0.189 175.690 175.510 -0.016 0.000 1.032 232 N CA 0.326 53.362 53.050 -0.023 0.000 0.898 232 N CB 0.016 38.490 38.487 -0.022 0.000 0.971 232 N HN 0.133 nan 8.380 nan 0.000 0.441 233 N N 1.579 120.271 118.700 -0.013 0.000 3.124 233 N HA 0.113 4.853 4.740 0.000 0.000 0.284 233 N C 0.398 175.902 175.510 -0.009 0.000 1.209 233 N CA -0.063 52.983 53.050 -0.007 0.000 1.149 233 N CB 0.086 38.574 38.487 0.001 0.000 1.434 233 N HN 0.159 nan 8.380 nan 0.000 0.529 234 R N 0.871 121.363 120.500 -0.012 0.000 2.073 234 R HA -0.106 4.234 4.340 0.000 0.000 0.234 234 R C 1.769 178.063 176.300 -0.011 0.000 1.134 234 R CA 1.780 57.871 56.100 -0.014 0.000 0.952 234 R CB -0.288 30.002 30.300 -0.015 0.000 0.850 234 R HN 0.414 nan 8.270 nan 0.000 0.433 235 A N 0.929 123.744 122.820 -0.008 0.000 1.969 235 A HA -0.052 4.268 4.320 0.000 0.000 0.218 235 A C 2.401 179.982 177.584 -0.004 0.000 1.169 235 A CA 1.617 53.651 52.037 -0.006 0.000 0.635 235 A CB -0.967 18.030 19.000 -0.005 0.000 0.810 235 A HN 0.479 nan 8.150 nan 0.000 0.445 236 G N -0.693 108.106 108.800 -0.001 0.000 2.408 236 G HA2 -0.186 3.774 3.960 0.000 0.000 0.217 236 G HA3 -0.186 3.774 3.960 0.000 0.000 0.217 236 G C 1.619 176.522 174.900 0.006 0.000 1.150 236 G CA 1.071 46.173 45.100 0.004 0.000 0.776 236 G HN 0.461 nan 8.290 nan 0.000 0.542 237 M N 0.111 119.713 119.600 0.003 0.000 2.117 237 M HA -0.066 4.414 4.480 0.000 0.000 0.262 237 M C 2.675 178.976 176.300 0.002 0.000 1.065 237 M CA 0.935 56.237 55.300 0.003 0.000 1.114 237 M CB -0.305 32.292 32.600 -0.004 0.000 1.361 237 M HN 0.116 nan 8.290 nan 0.000 0.408 238 V N 0.302 120.215 119.914 -0.002 0.000 2.295 238 V HA -0.278 3.842 4.120 0.000 0.000 0.246 238 V C 2.295 178.387 176.094 -0.003 0.000 1.049 238 V CA 1.859 64.156 62.300 -0.004 0.000 1.024 238 V CB -0.787 31.032 31.823 -0.008 0.000 0.648 238 V HN 0.441 nan 8.190 nan 0.000 0.447 239 R N -0.339 120.160 120.500 -0.002 0.000 2.091 239 R HA -0.112 4.228 4.340 0.000 0.000 0.238 239 R C 2.303 178.603 176.300 -0.000 0.000 1.136 239 R CA 1.425 57.524 56.100 -0.002 0.000 0.959 239 R CB -0.478 29.820 30.300 -0.002 0.000 0.856 239 R HN 0.425 nan 8.270 nan 0.000 0.437 240 L N 0.785 122.011 121.223 0.004 0.000 2.131 240 L HA -0.178 4.162 4.340 0.000 0.000 0.210 240 L C 2.077 178.949 176.870 0.003 0.000 1.092 240 L CA 1.015 55.860 54.840 0.009 0.000 0.759 240 L CB -0.499 41.573 42.059 0.023 0.000 0.903 240 L HN 0.302 nan 8.230 nan 0.000 0.435 241 N N 0.050 118.749 118.700 -0.002 0.000 2.223 241 N HA -0.165 4.575 4.740 0.000 0.000 0.185 241 N C 1.819 177.324 175.510 -0.008 0.000 1.016 241 N CA 1.435 54.480 53.050 -0.009 0.000 0.863 241 N CB 0.078 38.559 38.487 -0.010 0.000 0.983 241 N HN 0.340 nan 8.380 nan 0.000 0.429 242 A N 0.746 123.562 122.820 -0.005 0.000 1.898 242 A HA -0.069 4.251 4.320 0.000 0.000 0.214 242 A C 2.347 179.929 177.584 -0.004 0.000 1.183 242 A CA 1.608 53.642 52.037 -0.005 0.000 0.622 242 A CB -0.404 18.593 19.000 -0.005 0.000 0.824 242 A HN 0.419 nan 8.150 nan 0.000 0.444 243 S N -1.085 114.613 115.700 -0.004 0.000 2.470 243 S HA 0.093 4.563 4.470 0.000 0.000 0.225 243 S C 1.065 175.664 174.600 -0.003 0.000 1.006 243 S CA 0.625 58.822 58.200 -0.004 0.000 0.934 243 S CB -0.486 62.709 63.200 -0.007 0.000 0.778 243 S HN 0.353 nan 8.310 nan 0.000 0.517 244 S N 3.530 119.230 115.700 0.000 0.000 2.474 244 S HA 0.343 4.813 4.470 0.000 0.000 0.276 244 S C -1.318 173.283 174.600 0.002 0.000 1.227 244 S CA -1.441 56.761 58.200 0.003 0.000 1.050 244 S CB 1.022 64.226 63.200 0.007 0.000 0.939 244 S HN 0.303 nan 8.310 nan 0.000 0.490 245 P HA 0.176 nan 4.420 nan 0.000 0.241 245 P C -0.115 177.194 177.300 0.014 0.000 1.191 245 P CA 0.197 63.303 63.100 0.010 0.000 0.771 245 P CB 0.088 31.795 31.700 0.012 0.000 0.929 246 A N 1.576 124.400 122.820 0.007 0.000 2.337 246 A HA 0.661 4.981 4.320 0.000 0.000 0.329 246 A C -2.607 174.952 177.584 -0.040 0.000 1.146 246 A CA -2.160 49.877 52.037 -0.001 0.000 0.800 246 A CB 0.728 19.730 19.000 0.005 0.000 1.220 246 A HN -0.083 nan 8.150 nan 0.000 0.472 247 P HA 0.281 nan 4.420 nan 0.000 0.271 247 P C -0.804 176.369 177.300 -0.212 0.000 1.218 247 P CA 0.331 63.333 63.100 -0.162 0.000 0.780 247 P CB 0.670 32.217 31.700 -0.255 0.000 0.901 248 I N 2.952 123.421 120.570 -0.169 0.000 2.412 248 I HA 0.419 4.589 4.170 0.000 0.000 0.296 248 I C 0.623 176.636 176.117 -0.174 0.000 0.987 248 I CA -0.888 60.325 61.300 -0.146 0.000 1.180 248 I CB 1.624 39.584 38.000 -0.067 0.000 1.340 248 I HN 0.265 nan 8.210 nan 0.000 0.455 249 M N 5.714 125.200 119.600 -0.189 0.000 2.294 249 M HA 0.673 5.153 4.480 0.000 0.000 0.335 249 M C -0.801 175.459 176.300 -0.068 0.000 1.079 249 M CA -0.429 54.777 55.300 -0.157 0.000 0.982 249 M CB 1.586 34.013 32.600 -0.288 0.000 1.651 249 M HN 0.675 nan 8.290 nan 0.000 0.437 250 A N 3.342 126.171 122.820 0.015 0.000 2.328 250 A HA 0.436 4.756 4.320 0.000 0.000 0.284 250 A C -0.474 177.073 177.584 -0.061 0.000 1.160 250 A CA -0.366 51.642 52.037 -0.049 0.000 0.818 250 A CB 0.617 19.537 19.000 -0.134 0.000 1.087 250 A HN 0.980 nan 8.150 nan 0.000 0.504 251 D N 0.857 121.224 120.400 -0.054 0.000 3.045 251 D HA 0.026 4.666 4.640 0.000 0.000 0.196 251 D C 1.259 177.555 176.300 -0.007 0.000 1.520 251 D CA 0.444 54.443 54.000 -0.001 0.000 1.466 251 D CB -0.217 40.617 40.800 0.056 0.000 1.152 251 D HN 0.415 nan 8.370 nan 0.000 0.254 252 E N 0.185 120.380 120.200 -0.008 0.000 2.267 252 E HA -0.028 4.322 4.350 0.000 0.000 0.197 252 E C 1.895 178.463 176.600 -0.054 0.000 0.998 252 E CA 0.882 57.265 56.400 -0.029 0.000 0.830 252 E CB -0.102 29.532 29.700 -0.111 0.000 0.751 252 E HN 0.076 nan 8.360 nan 0.000 0.491 253 S N -0.050 115.600 115.700 -0.083 0.000 2.442 253 S HA -0.018 4.452 4.470 0.000 0.000 0.236 253 S C 0.697 175.223 174.600 -0.124 0.000 1.007 253 S CA 0.496 58.635 58.200 -0.102 0.000 0.965 253 S CB -0.053 63.074 63.200 -0.122 0.000 0.773 253 S HN 0.184 nan 8.310 nan 0.000 0.504 254 I N 1.776 122.264 120.570 -0.137 0.000 2.306 254 I HA 0.196 4.366 4.170 0.000 0.000 0.288 254 I C 0.466 176.555 176.117 -0.047 0.000 1.036 254 I CA 0.049 61.266 61.300 -0.139 0.000 1.221 254 I CB 0.990 38.863 38.000 -0.211 0.000 1.385 254 I HN 0.111 nan 8.210 nan 0.000 0.472 255 E N 5.021 125.208 120.200 -0.022 0.000 2.583 255 E HA 0.206 4.556 4.350 0.000 0.000 0.213 255 E C -0.513 176.101 176.600 0.023 0.000 0.989 255 E CA -0.112 56.303 56.400 0.025 0.000 0.991 255 E CB 0.812 30.533 29.700 0.036 0.000 1.040 255 E HN 0.786 nan 8.360 nan 0.000 0.481 256 C N -3.987 115.315 119.300 0.003 0.000 3.197 256 C HA 0.199 4.659 4.460 0.000 0.000 0.343 256 C C 1.532 176.530 174.990 0.013 0.000 1.291 256 C CA -0.949 58.076 59.018 0.012 0.000 1.191 256 C CB 0.326 28.078 27.740 0.020 0.000 1.444 256 C HN -0.037 nan 8.230 nan 0.000 0.468 257 V N 1.145 121.077 119.914 0.029 0.000 2.392 257 V HA -0.166 3.954 4.120 0.000 0.000 0.249 257 V C 2.494 178.638 176.094 0.084 0.000 1.059 257 V CA 2.787 65.119 62.300 0.054 0.000 1.051 257 V CB -0.818 31.037 31.823 0.053 0.000 0.658 257 V HN 0.991 nan 8.190 nan 0.000 0.455 258 E N 0.136 120.381 120.200 0.076 0.000 2.153 258 E HA -0.201 4.149 4.350 0.000 0.000 0.194 258 E C 1.919 178.599 176.600 0.133 0.000 0.988 258 E CA 1.312 57.784 56.400 0.121 0.000 0.811 258 E CB -0.346 29.404 29.700 0.083 0.000 0.746 258 E HN 0.574 nan 8.360 nan 0.000 0.466 259 D N 0.076 120.508 120.400 0.053 0.000 2.117 259 D HA -0.124 4.516 4.640 0.000 0.000 0.197 259 D C 1.864 178.140 176.300 -0.040 0.000 0.987 259 D CA 1.415 55.413 54.000 -0.004 0.000 0.829 259 D CB -0.342 40.427 40.800 -0.052 0.000 0.961 259 D HN 0.219 nan 8.370 nan 0.000 0.460 260 A N 0.439 123.239 122.820 -0.033 0.000 1.908 260 A HA -0.196 4.124 4.320 0.000 0.000 0.218 260 A C 2.110 179.812 177.584 0.196 0.000 1.181 260 A CA 1.186 53.204 52.037 -0.031 0.000 0.627 260 A CB -0.969 18.087 19.000 0.094 0.000 0.818 260 A HN 0.283 nan 8.150 nan 0.000 0.445 261 F N 1.340 121.352 119.950 0.103 0.000 2.113 261 F HA -0.168 4.359 4.527 0.000 0.000 0.297 261 F C 1.849 177.706 175.800 0.094 0.000 1.103 261 F CA 2.103 60.168 58.000 0.108 0.000 1.248 261 F CB -0.751 38.288 39.000 0.065 0.000 0.999 261 F HN 0.306 nan 8.300 nan 0.000 0.475 262 N N 0.375 118.974 118.700 -0.169 0.000 2.166 262 N HA -0.176 4.564 4.740 0.000 0.000 0.186 262 N C 1.901 177.294 175.510 -0.195 0.000 1.019 262 N CA 1.610 54.515 53.050 -0.242 0.000 0.856 262 N CB -0.274 38.201 38.487 -0.020 0.000 0.993 262 N HN 0.321 nan 8.380 nan 0.000 0.426 263 L N 0.243 121.415 121.223 -0.086 0.000 2.056 263 L HA -0.094 4.246 4.340 0.000 0.000 0.207 263 L C 2.481 179.396 176.870 0.074 0.000 1.078 263 L CA 0.894 55.734 54.840 0.002 0.000 0.749 263 L CB -0.511 41.535 42.059 -0.023 0.000 0.901 263 L HN 0.226 nan 8.230 nan 0.000 0.433 264 A N 0.195 123.077 122.820 0.103 0.000 1.898 264 A HA -0.231 4.089 4.320 0.000 0.000 0.216 264 A C 2.444 179.934 177.584 -0.157 0.000 1.181 264 A CA 1.681 53.722 52.037 0.006 0.000 0.620 264 A CB -0.559 18.442 19.000 0.003 0.000 0.819 264 A HN 0.357 nan 8.150 nan 0.000 0.442 265 R N -0.006 120.272 120.500 -0.370 0.000 2.081 265 R HA -0.163 4.177 4.340 0.000 0.000 0.235 265 R C 1.809 178.010 176.300 -0.166 0.000 1.131 265 R CA 1.931 57.820 56.100 -0.352 0.000 0.960 265 R CB -0.269 29.677 30.300 -0.589 0.000 0.856 265 R HN 0.649 nan 8.270 nan 0.000 0.436 266 E N -1.200 118.920 120.200 -0.134 0.000 2.285 266 E HA 0.049 4.399 4.350 0.000 0.000 0.194 266 E C 0.576 177.151 176.600 -0.041 0.000 0.997 266 E CA 0.524 56.882 56.400 -0.069 0.000 0.845 266 E CB 0.345 30.012 29.700 -0.055 0.000 0.782 266 E HN 0.640 nan 8.360 nan 0.000 0.491 267 G N 0.829 109.609 108.800 -0.034 0.000 2.248 267 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 267 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 267 G C 0.679 175.582 174.900 0.004 0.000 1.085 267 G CA 0.204 45.294 45.100 -0.016 0.000 0.845 267 G HN 0.372 nan 8.290 nan 0.000 0.494 268 A N -1.285 121.553 122.820 0.030 0.000 2.119 268 A HA 0.763 5.083 4.320 0.000 0.000 0.216 268 A C 1.431 179.048 177.584 0.055 0.000 1.152 268 A CA 1.927 53.984 52.037 0.033 0.000 0.708 268 A CB 0.123 19.136 19.000 0.021 0.000 0.805 268 A HN 2.435 nan 8.150 nan 0.000 0.460 269 A N -1.550 121.331 122.820 0.101 0.000 2.599 269 A HA 0.538 4.858 4.320 0.000 0.000 0.294 269 A C 0.457 178.054 177.584 0.021 0.000 1.055 269 A CA 0.317 52.406 52.037 0.086 0.000 0.683 269 A CB -0.046 19.058 19.000 0.173 0.000 1.278 269 A HN 0.783 nan 8.150 nan 0.000 0.412 270 S N -0.516 115.149 115.700 -0.059 0.000 2.556 270 S HA 0.435 4.905 4.470 0.000 0.000 0.216 270 S C 0.180 174.679 174.600 -0.168 0.000 0.970 270 S CA 0.497 58.628 58.200 -0.116 0.000 0.912 270 S CB -0.151 62.998 63.200 -0.085 0.000 0.790 270 S HN 1.201 nan 8.310 nan 0.000 0.504 271 V N 2.027 121.847 119.914 -0.155 0.000 2.888 271 V HA 0.571 4.691 4.120 0.000 0.000 0.309 271 V C -1.494 174.691 176.094 0.152 0.000 1.114 271 V CA -0.860 61.347 62.300 -0.154 0.000 0.940 271 V CB 1.832 33.369 31.823 -0.476 0.000 1.021 271 V HN 0.260 nan 8.190 nan 0.000 0.426 272 F N 2.179 122.107 119.950 -0.036 0.000 2.482 272 F HA 0.800 5.327 4.527 0.000 0.000 0.331 272 F C 0.553 176.388 175.800 0.059 0.000 1.115 272 F CA -1.542 56.459 58.000 0.000 0.000 0.955 272 F CB 1.867 40.880 39.000 0.022 0.000 1.136 272 F HN 0.600 nan 8.300 nan 0.000 0.452 273 A N 4.756 127.720 122.820 0.240 0.000 2.363 273 A HA 0.655 4.975 4.320 0.000 0.000 0.270 273 A C -0.655 177.031 177.584 0.170 0.000 1.121 273 A CA -0.432 51.770 52.037 0.274 0.000 0.800 273 A CB 0.196 19.354 19.000 0.262 0.000 1.052 273 A HN 0.731 nan 8.150 nan 0.000 0.493 274 L N 2.994 124.287 121.223 0.116 0.000 2.276 274 L HA 0.396 4.736 4.340 0.000 0.000 0.286 274 L C -0.125 176.854 176.870 0.181 0.000 1.024 274 L CA -0.113 54.803 54.840 0.127 0.000 0.826 274 L CB 1.087 43.207 42.059 0.103 0.000 1.211 274 L HN 0.675 nan 8.230 nan 0.000 0.422 275 K N 4.072 124.539 120.400 0.112 0.000 2.463 275 K HA 0.336 4.656 4.320 0.000 0.000 0.255 275 K C 1.059 177.638 176.600 -0.036 0.000 0.942 275 K CA -0.543 55.770 56.287 0.043 0.000 0.814 275 K CB 2.687 35.170 32.500 -0.029 0.000 1.122 275 K HN 0.580 nan 8.250 nan 0.000 0.425 276 I N -0.316 120.212 120.570 -0.071 0.000 2.361 276 I HA -0.201 3.969 4.170 0.000 0.000 0.251 276 I C 1.862 177.850 176.117 -0.214 0.000 1.133 276 I CA 1.446 62.672 61.300 -0.122 0.000 1.413 276 I CB -0.225 37.686 38.000 -0.149 0.000 1.073 276 I HN 0.549 nan 8.210 nan 0.000 0.424 277 A N 1.726 124.331 122.820 -0.358 0.000 1.930 277 A HA -0.107 4.213 4.320 0.000 0.000 0.217 277 A C 2.260 179.398 177.584 -0.743 0.000 1.175 277 A CA 1.361 52.965 52.037 -0.722 0.000 0.627 277 A CB -0.366 17.922 19.000 -1.188 0.000 0.815 277 A HN 0.356 nan 8.150 nan 0.000 0.443 278 K N 0.067 120.209 120.400 -0.430 0.000 2.305 278 K HA 0.063 4.383 4.320 0.000 0.000 0.199 278 K C 0.935 177.489 176.600 -0.076 0.000 1.047 278 K CA 0.631 56.812 56.287 -0.177 0.000 0.976 278 K CB -0.229 32.237 32.500 -0.057 0.000 0.765 278 K HN 0.506 nan 8.250 nan 0.000 0.474 279 N N -0.260 118.389 118.700 -0.084 0.000 2.368 279 N HA 0.000 4.740 4.740 0.000 0.000 0.178 279 N C 0.652 176.143 175.510 -0.030 0.000 1.076 279 N CA 0.931 53.962 53.050 -0.032 0.000 0.889 279 N CB 1.154 39.636 38.487 -0.007 0.000 1.040 279 N HN 0.302 nan 8.380 nan 0.000 0.463 280 G N 0.345 109.108 108.800 -0.062 0.000 2.151 280 G HA2 0.096 4.056 3.960 0.000 0.000 0.156 280 G HA3 0.096 4.056 3.960 0.000 0.000 0.156 280 G C 0.253 175.126 174.900 -0.045 0.000 1.017 280 G CA 0.070 45.145 45.100 -0.041 0.000 0.686 280 G HN 0.674 nan 8.290 nan 0.000 0.503 281 G N -1.597 107.161 108.800 -0.069 0.000 2.440 281 G HA2 0.363 4.323 3.960 0.000 0.000 0.684 281 G HA3 0.363 4.323 3.960 0.000 0.000 0.684 281 G C -1.294 173.570 174.900 -0.060 0.000 1.309 281 G CA 0.134 45.193 45.100 -0.067 0.000 0.931 281 G HN 0.343 nan 8.290 nan 0.000 0.612 282 P HA -0.103 nan 4.420 nan 0.000 0.216 282 P C 2.013 179.298 177.300 -0.024 0.000 1.153 282 P CA 1.680 64.738 63.100 -0.071 0.000 0.858 282 P CB 0.011 31.660 31.700 -0.086 0.000 0.789 283 R N -0.639 119.849 120.500 -0.019 0.000 2.075 283 R HA -0.001 4.339 4.340 0.000 0.000 0.232 283 R C 2.348 178.655 176.300 0.013 0.000 1.126 283 R CA 1.481 57.581 56.100 -0.000 0.000 0.963 283 R CB -1.091 29.206 30.300 -0.006 0.000 0.858 283 R HN 0.134 nan 8.270 nan 0.000 0.435 284 A N 0.440 123.264 122.820 0.006 0.000 1.933 284 A HA -0.125 4.195 4.320 0.000 0.000 0.218 284 A C 2.088 179.693 177.584 0.036 0.000 1.175 284 A CA 1.752 53.800 52.037 0.017 0.000 0.628 284 A CB -0.690 18.313 19.000 0.005 0.000 0.814 284 A HN 0.261 nan 8.150 nan 0.000 0.444 285 T N 0.406 114.981 114.554 0.036 0.000 2.867 285 T HA -0.031 4.319 4.350 0.000 0.000 0.268 285 T C 1.672 176.436 174.700 0.108 0.000 1.057 285 T CA 1.229 63.375 62.100 0.076 0.000 1.136 285 T CB -0.295 68.624 68.868 0.085 0.000 0.874 285 T HN 0.379 nan 8.240 nan 0.000 0.466 286 L N 0.200 121.474 121.223 0.085 0.000 2.217 286 L HA 0.043 4.383 4.340 0.000 0.000 0.211 286 L C 2.819 179.739 176.870 0.083 0.000 1.107 286 L CA 0.930 55.826 54.840 0.092 0.000 0.783 286 L CB -0.348 41.753 42.059 0.069 0.000 0.919 286 L HN 0.153 nan 8.230 nan 0.000 0.442 287 R N -0.779 119.763 120.500 0.071 0.000 2.090 287 R HA -0.083 4.257 4.340 0.000 0.000 0.228 287 R C 2.237 178.597 176.300 0.100 0.000 1.110 287 R CA 1.585 57.727 56.100 0.070 0.000 0.973 287 R CB -0.463 29.868 30.300 0.053 0.000 0.869 287 R HN 0.248 nan 8.270 nan 0.000 0.440 288 T N 1.010 115.631 114.554 0.112 0.000 2.746 288 T HA -0.109 4.241 4.350 0.000 0.000 0.267 288 T C 1.896 176.710 174.700 0.190 0.000 1.039 288 T CA 1.402 63.595 62.100 0.156 0.000 1.142 288 T CB -0.142 68.807 68.868 0.135 0.000 0.866 288 T HN 0.360 nan 8.240 nan 0.000 0.444 289 A N 1.299 124.213 122.820 0.157 0.000 1.933 289 A HA 0.168 4.489 4.320 0.000 0.000 0.218 289 A C 2.609 180.257 177.584 0.106 0.000 1.175 289 A CA 1.773 53.893 52.037 0.139 0.000 0.628 289 A CB -0.994 18.082 19.000 0.127 0.000 0.814 289 A HN 0.500 nan 8.150 nan 0.000 0.444 290 A N -0.094 122.784 122.820 0.098 0.000 1.933 290 A HA -0.063 4.257 4.320 0.000 0.000 0.218 290 A C 2.107 179.743 177.584 0.086 0.000 1.175 290 A CA 1.482 53.566 52.037 0.078 0.000 0.628 290 A CB -0.556 18.485 19.000 0.068 0.000 0.814 290 A HN 0.503 nan 8.150 nan 0.000 0.444 291 I N -0.391 120.252 120.570 0.122 0.000 2.202 291 I HA -0.255 3.915 4.170 0.000 0.000 0.242 291 I C 2.997 179.179 176.117 0.108 0.000 1.091 291 I CA 1.010 62.403 61.300 0.155 0.000 1.368 291 I CB -0.367 37.775 38.000 0.237 0.000 1.058 291 I HN 0.355 nan 8.210 nan 0.000 0.410 292 A N 0.625 123.500 122.820 0.092 0.000 1.877 292 A HA -0.241 4.079 4.320 0.000 0.000 0.216 292 A C 2.194 179.727 177.584 -0.085 0.000 1.186 292 A CA 1.832 53.810 52.037 -0.099 0.000 0.620 292 A CB -0.654 18.287 19.000 -0.099 0.000 0.822 292 A HN 0.455 nan 8.150 nan 0.000 0.443 293 E N -0.263 119.931 120.200 -0.010 0.000 2.077 293 E HA -0.123 4.227 4.350 0.000 0.000 0.193 293 E C 2.262 178.861 176.600 -0.002 0.000 0.989 293 E CA 0.988 57.385 56.400 -0.004 0.000 0.800 293 E CB -0.320 29.393 29.700 0.021 0.000 0.746 293 E HN 0.620 nan 8.360 nan 0.000 0.452 294 A N 1.179 124.010 122.820 0.019 0.000 2.019 294 A HA -0.048 4.272 4.320 0.000 0.000 0.219 294 A C 2.226 179.819 177.584 0.015 0.000 1.164 294 A CA 1.535 53.588 52.037 0.028 0.000 0.644 294 A CB -0.311 18.722 19.000 0.055 0.000 0.805 294 A HN 0.270 nan 8.150 nan 0.000 0.449 295 A N -2.031 120.783 122.820 -0.011 0.000 2.275 295 A HA 0.440 4.760 4.320 0.000 0.000 0.212 295 A C 1.674 179.217 177.584 -0.068 0.000 1.201 295 A CA 1.069 53.083 52.037 -0.039 0.000 0.843 295 A CB -0.727 18.230 19.000 -0.071 0.000 0.873 295 A HN 1.837 nan 8.150 nan 0.000 0.492 296 G N -0.548 108.214 108.800 -0.062 0.000 2.147 296 G HA2 -0.217 3.743 3.960 0.000 0.000 0.244 296 G HA3 -0.217 3.743 3.960 0.000 0.000 0.244 296 G C 0.026 174.874 174.900 -0.088 0.000 1.005 296 G CA 0.332 45.399 45.100 -0.055 0.000 0.713 296 G HN 0.464 nan 8.290 nan 0.000 0.515 297 I N 1.345 121.814 120.570 -0.169 0.000 2.396 297 I HA 0.496 4.666 4.170 0.000 0.000 0.292 297 I C 1.431 177.460 176.117 -0.147 0.000 0.999 297 I CA -0.305 60.836 61.300 -0.265 0.000 1.310 297 I CB 1.339 38.939 38.000 -0.668 0.000 1.404 297 I HN 0.148 nan 8.210 nan 0.000 0.496 298 G N 6.450 115.232 108.800 -0.031 0.000 2.594 298 G HA2 0.428 4.388 3.960 0.000 0.000 0.243 298 G HA3 0.428 4.388 3.960 0.000 0.000 0.243 298 G C -0.481 174.506 174.900 0.145 0.000 1.229 298 G CA -0.468 44.729 45.100 0.161 0.000 0.843 298 G HN 0.459 nan 8.290 nan 0.000 0.578 299 L N 0.329 121.684 121.223 0.220 0.000 2.334 299 L HA 0.502 4.842 4.340 0.000 0.000 0.273 299 L C -1.006 176.024 176.870 0.266 0.000 1.013 299 L CA -1.067 53.878 54.840 0.176 0.000 0.816 299 L CB 2.157 44.258 42.059 0.071 0.000 1.278 299 L HN 0.568 nan 8.230 nan 0.000 0.431 300 Y N 0.545 120.856 120.300 0.017 0.000 2.386 300 Y HA 0.573 5.123 4.550 -0.000 0.000 0.334 300 Y C 0.149 175.910 175.900 -0.231 0.000 1.002 300 Y CA -1.001 57.087 58.100 -0.020 0.000 1.068 300 Y CB 2.111 40.603 38.460 0.053 0.000 1.203 300 Y HN 0.545 nan 8.280 nan 0.000 0.443 301 G N 3.816 112.134 108.800 -0.805 0.000 2.444 301 G HA2 0.444 4.404 3.960 0.000 0.000 0.303 301 G HA3 0.444 4.404 3.960 0.000 0.000 0.303 301 G C 0.201 174.664 174.900 -0.728 0.000 1.032 301 G CA 0.108 44.494 45.100 -1.189 0.000 1.137 301 G HN 0.971 nan 8.290 nan 0.000 0.430 302 G N 0.360 108.964 108.800 -0.328 0.000 2.522 302 G HA2 0.604 4.564 3.960 0.000 0.000 0.304 302 G HA3 0.604 4.564 3.960 0.000 0.000 0.304 302 G C -0.440 174.456 174.900 -0.006 0.000 1.210 302 G CA -0.259 44.758 45.100 -0.138 0.000 0.960 302 G HN 0.699 nan 8.290 nan 0.000 0.497 303 T N -0.731 113.785 114.554 -0.063 0.000 2.883 303 T HA 0.451 4.801 4.350 0.000 0.000 0.301 303 T C -0.028 174.575 174.700 -0.162 0.000 1.158 303 T CA -0.673 61.351 62.100 -0.127 0.000 1.007 303 T CB 1.466 70.189 68.868 -0.241 0.000 1.186 303 T HN 0.191 nan 8.240 nan 0.000 0.499 304 M N 3.587 123.075 119.600 -0.187 0.000 2.673 304 M HA 0.399 4.879 4.480 0.000 0.000 0.334 304 M C 0.271 176.449 176.300 -0.203 0.000 1.211 304 M CA 0.052 55.228 55.300 -0.208 0.000 0.962 304 M CB -0.957 31.552 32.600 -0.152 0.000 1.343 304 M HN 0.708 nan 8.290 nan 0.000 0.511 305 L N 0.657 121.724 121.223 -0.261 0.000 3.548 305 L HA -0.262 4.078 4.340 0.000 0.000 0.443 305 L C -0.226 176.534 176.870 -0.183 0.000 1.286 305 L CA 0.274 54.942 54.840 -0.287 0.000 0.863 305 L CB -1.668 40.235 42.059 -0.259 0.000 1.734 305 L HN 0.326 nan 8.230 nan 0.000 0.873 306 E N -0.052 120.056 120.200 -0.155 0.000 2.371 306 E HA 0.490 4.840 4.350 0.000 0.000 0.257 306 E C 0.980 177.537 176.600 -0.071 0.000 1.134 306 E CA 0.539 56.882 56.400 -0.095 0.000 0.919 306 E CB 0.544 30.192 29.700 -0.086 0.000 1.025 306 E HN 0.281 nan 8.360 nan 0.000 0.438 307 G N -0.405 108.371 108.800 -0.041 0.000 2.494 307 G HA2 0.264 4.224 3.960 0.000 0.000 0.270 307 G HA3 0.264 4.224 3.960 0.000 0.000 0.270 307 G C 0.970 175.875 174.900 0.008 0.000 1.423 307 G CA -0.216 44.876 45.100 -0.014 0.000 1.055 307 G HN 0.563 nan 8.290 nan 0.000 0.536 308 G N -0.634 108.184 108.800 0.030 0.000 2.442 308 G HA2 -0.185 3.775 3.960 0.000 0.000 0.219 308 G HA3 -0.185 3.775 3.960 0.000 0.000 0.219 308 G C 1.676 176.583 174.900 0.013 0.000 1.141 308 G CA 1.034 46.158 45.100 0.040 0.000 0.763 308 G HN 0.451 nan 8.290 nan 0.000 0.554 309 I N 1.039 121.609 120.570 -0.001 0.000 2.113 309 I HA -0.067 4.103 4.170 0.000 0.000 0.238 309 I C 3.095 179.190 176.117 -0.037 0.000 1.070 309 I CA 1.201 62.490 61.300 -0.018 0.000 1.332 309 I CB -0.554 37.435 38.000 -0.018 0.000 1.044 309 I HN 0.231 nan 8.210 nan 0.000 0.402 310 G N -0.215 108.559 108.800 -0.043 0.000 2.422 310 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 310 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 310 G C 1.652 176.503 174.900 -0.082 0.000 1.140 310 G CA 1.177 46.235 45.100 -0.069 0.000 0.775 310 G HN 0.278 nan 8.290 nan 0.000 0.545 311 T N 1.122 115.645 114.554 -0.051 0.000 2.777 311 T HA 0.021 4.371 4.350 0.000 0.000 0.266 311 T C 2.367 177.039 174.700 -0.047 0.000 1.040 311 T CA 0.617 62.693 62.100 -0.040 0.000 1.141 311 T CB -0.137 68.745 68.868 0.023 0.000 0.868 311 T HN 0.135 nan 8.240 nan 0.000 0.444 312 L N 0.572 121.785 121.223 -0.016 0.000 2.156 312 L HA 0.048 4.388 4.340 0.000 0.000 0.208 312 L C 2.923 179.827 176.870 0.057 0.000 1.095 312 L CA 0.726 55.590 54.840 0.041 0.000 0.770 312 L CB -0.506 41.598 42.059 0.075 0.000 0.914 312 L HN 0.233 nan 8.230 nan 0.000 0.439 313 A N -0.670 122.118 122.820 -0.053 0.000 1.933 313 A HA -0.172 4.148 4.320 0.000 0.000 0.218 313 A C 2.493 179.964 177.584 -0.188 0.000 1.175 313 A CA 2.009 53.983 52.037 -0.105 0.000 0.628 313 A CB -0.454 18.476 19.000 -0.118 0.000 0.814 313 A HN 0.362 nan 8.150 nan 0.000 0.444 314 S N -0.066 115.463 115.700 -0.285 0.000 2.355 314 S HA 0.012 4.482 4.470 0.000 0.000 0.222 314 S C 2.375 176.442 174.600 -0.888 0.000 1.031 314 S CA 1.086 58.902 58.200 -0.639 0.000 0.993 314 S CB -0.546 62.346 63.200 -0.514 0.000 0.859 314 S HN 0.797 nan 8.310 nan 0.000 0.453 315 A N 1.548 124.120 122.820 -0.414 0.000 1.892 315 A HA -0.223 4.097 4.320 0.000 0.000 0.218 315 A C 1.790 179.248 177.584 -0.210 0.000 1.188 315 A CA 2.099 53.996 52.037 -0.235 0.000 0.631 315 A CB -1.113 17.819 19.000 -0.113 0.000 0.822 315 A HN 0.564 nan 8.150 nan 0.000 0.447 316 H N -0.568 118.389 119.070 -0.188 0.000 2.422 316 H HA 0.041 4.597 4.556 -0.000 0.000 0.298 316 H C 2.361 177.624 175.328 -0.109 0.000 1.098 316 H CA 1.570 57.548 56.048 -0.116 0.000 1.315 316 H CB -0.118 29.584 29.762 -0.100 0.000 1.382 316 H HN 0.545 nan 8.280 nan 0.000 0.523 317 A N 0.202 122.959 122.820 -0.104 0.000 1.872 317 A HA -0.090 4.230 4.320 0.000 0.000 0.214 317 A C 1.618 179.248 177.584 0.077 0.000 1.187 317 A CA 1.061 53.057 52.037 -0.069 0.000 0.614 317 A CB -0.587 18.309 19.000 -0.174 0.000 0.826 317 A HN 0.290 nan 8.150 nan 0.000 0.442 318 F N 0.462 120.411 119.950 -0.003 0.000 2.269 318 F HA -0.038 4.489 4.527 -0.000 0.000 0.301 318 F C 1.937 177.725 175.800 -0.020 0.000 1.082 318 F CA 0.069 58.062 58.000 -0.013 0.000 1.360 318 F CB -1.067 37.916 39.000 -0.029 0.000 1.041 318 F HN 0.098 nan 8.300 nan 0.000 0.512 319 L N -0.118 121.177 121.223 0.119 0.000 2.265 319 L HA -0.170 4.170 4.340 0.000 0.000 0.215 319 L C 2.360 179.258 176.870 0.048 0.000 1.117 319 L CA 1.735 56.600 54.840 0.042 0.000 0.782 319 L CB -1.040 40.990 42.059 -0.048 0.000 0.914 319 L HN 0.278 nan 8.230 nan 0.000 0.441 320 T N -2.847 111.747 114.554 0.067 0.000 3.100 320 T HA 0.119 4.469 4.350 0.000 0.000 0.253 320 T C 0.748 175.486 174.700 0.063 0.000 1.118 320 T CA -0.143 61.991 62.100 0.057 0.000 1.058 320 T CB -0.269 68.632 68.868 0.056 0.000 0.953 320 T HN 0.061 nan 8.240 nan 0.000 0.515 321 L N 2.642 123.915 121.223 0.083 0.000 2.367 321 L HA 0.337 4.677 4.340 0.000 0.000 0.275 321 L C 1.835 178.730 176.870 0.042 0.000 1.129 321 L CA -0.570 54.311 54.840 0.068 0.000 0.839 321 L CB 0.495 42.602 42.059 0.079 0.000 1.133 321 L HN 0.107 nan 8.230 nan 0.000 0.453 322 N N 2.602 121.321 118.700 0.032 0.000 2.094 322 N HA -0.176 4.564 4.740 0.000 0.000 0.191 322 N C 0.104 175.621 175.510 0.012 0.000 1.023 322 N CA 1.673 54.734 53.050 0.020 0.000 0.857 322 N CB 0.250 38.747 38.487 0.016 0.000 1.013 322 N HN 0.605 nan 8.380 nan 0.000 0.426 323 K N -0.842 119.564 120.400 0.011 0.000 2.561 323 K HA 0.282 4.602 4.320 0.000 0.000 0.254 323 K C -1.782 174.816 176.600 -0.004 0.000 0.942 323 K CA -0.464 55.822 56.287 -0.003 0.000 0.818 323 K CB 0.835 33.327 32.500 -0.014 0.000 1.306 323 K HN -0.016 nan 8.250 nan 0.000 0.435 324 L N 3.909 125.121 121.223 -0.019 0.000 2.504 324 L HA 0.241 4.581 4.340 0.000 0.000 0.249 324 L C 0.868 177.721 176.870 -0.029 0.000 1.120 324 L CA -0.302 54.525 54.840 -0.021 0.000 0.997 324 L CB 1.320 43.337 42.059 -0.069 0.000 1.349 324 L HN 0.715 nan 8.230 nan 0.000 0.439 325 S N 0.607 116.280 115.700 -0.045 0.000 2.420 325 S HA -0.174 4.296 4.470 0.000 0.000 0.237 325 S C 0.822 175.117 174.600 -0.508 0.000 1.023 325 S CA 1.734 59.784 58.200 -0.249 0.000 0.991 325 S CB -0.153 62.899 63.200 -0.246 0.000 0.792 325 S HN 0.652 nan 8.310 nan 0.000 0.488 326 W N 1.898 123.231 121.300 0.054 0.000 3.102 326 W HA 0.307 4.967 4.660 0.000 0.000 0.401 326 W C 0.200 176.847 176.519 0.212 0.000 1.070 326 W CA -0.595 56.815 57.345 0.108 0.000 1.921 326 W CB -0.181 29.330 29.460 0.085 0.000 1.118 326 W HN 0.114 nan 8.180 nan 0.000 0.647 327 D N -0.490 120.005 120.400 0.159 0.000 3.496 327 D HA -0.202 4.438 4.640 0.000 0.000 0.238 327 D C 0.356 176.637 176.300 -0.033 0.000 1.707 327 D CA 1.754 55.794 54.000 0.068 0.000 1.150 327 D CB -1.036 39.808 40.800 0.074 0.000 0.759 327 D HN 0.127 nan 8.370 nan 0.000 0.936 328 T N -2.620 111.873 114.554 -0.101 0.000 2.841 328 T HA 0.605 4.955 4.350 0.000 0.000 0.296 328 T C -0.590 174.021 174.700 -0.149 0.000 1.166 328 T CA -0.346 61.558 62.100 -0.327 0.000 1.007 328 T CB 2.209 70.983 68.868 -0.157 0.000 1.253 328 T HN 0.612 nan 8.240 nan 0.000 0.511 329 E N 1.122 121.208 120.200 -0.190 0.000 3.385 329 E HA 0.307 4.657 4.350 0.000 0.000 0.206 329 E C -0.141 176.490 176.600 0.053 0.000 0.997 329 E CA -0.533 55.941 56.400 0.122 0.000 1.278 329 E CB -0.051 29.760 29.700 0.186 0.000 1.165 329 E HN 0.500 nan 8.360 nan 0.000 0.452 330 L N 2.346 123.636 121.223 0.113 0.000 2.511 330 L HA 0.193 4.533 4.340 0.000 0.000 0.239 330 L C 0.086 177.110 176.870 0.256 0.000 1.400 330 L CA -0.212 54.693 54.840 0.108 0.000 1.226 330 L CB -0.770 41.395 42.059 0.176 0.000 1.475 330 L HN 0.443 nan 8.230 nan 0.000 0.428 331 F N -2.644 117.391 119.950 0.141 0.000 2.678 331 F HA 0.406 4.933 4.527 -0.000 0.000 0.305 331 F C 1.754 177.590 175.800 0.060 0.000 1.090 331 F CA -0.392 57.677 58.000 0.115 0.000 1.272 331 F CB -0.683 38.391 39.000 0.123 0.000 1.060 331 F HN 0.108 nan 8.300 nan 0.000 0.576 332 G N 2.392 110.992 108.800 -0.333 0.000 2.574 332 G HA2 -0.278 3.682 3.960 0.000 0.000 0.220 332 G HA3 -0.278 3.682 3.960 0.000 0.000 0.220 332 G C -0.666 174.235 174.900 0.001 0.000 1.173 332 G CA 1.367 46.325 45.100 -0.237 0.000 0.772 332 G HN 0.328 nan 8.290 nan 0.000 0.585 333 P HA 0.010 nan 4.420 nan 0.000 0.222 333 P C 1.771 179.151 177.300 0.132 0.000 1.147 333 P CA 0.677 63.855 63.100 0.131 0.000 0.790 333 P CB -0.071 31.774 31.700 0.243 0.000 0.780 334 L N -2.119 119.194 121.223 0.151 0.000 2.375 334 L HA 0.012 4.352 4.340 0.000 0.000 0.215 334 L C 2.018 179.072 176.870 0.307 0.000 1.108 334 L CA 0.383 55.330 54.840 0.178 0.000 0.830 334 L CB -0.544 41.610 42.059 0.158 0.000 0.959 334 L HN 0.002 nan 8.230 nan 0.000 0.457 335 L N -0.047 121.356 121.223 0.300 0.000 2.341 335 L HA 0.121 4.461 4.340 0.000 0.000 0.214 335 L C 0.806 177.742 176.870 0.110 0.000 1.115 335 L CA 1.038 56.011 54.840 0.221 0.000 0.820 335 L CB -0.004 42.100 42.059 0.075 0.000 0.944 335 L HN 0.013 nan 8.230 nan 0.000 0.452 336 L N -0.337 120.930 121.223 0.073 0.000 2.349 336 L HA 0.181 4.521 4.340 0.000 0.000 0.275 336 L C 1.288 178.179 176.870 0.035 0.000 1.115 336 L CA -0.191 54.662 54.840 0.022 0.000 0.820 336 L CB 1.046 43.097 42.059 -0.013 0.000 1.135 336 L HN -0.050 nan 8.230 nan 0.000 0.445 337 T N 0.191 114.752 114.554 0.013 0.000 3.081 337 T HA 0.053 4.403 4.350 0.000 0.000 0.255 337 T C 0.273 174.973 174.700 -0.001 0.000 1.113 337 T CA 0.516 62.632 62.100 0.026 0.000 1.082 337 T CB -0.004 68.887 68.868 0.039 0.000 0.939 337 T HN 0.479 nan 8.240 nan 0.000 0.506 338 E N 0.057 120.216 120.200 -0.069 0.000 2.372 338 E HA 0.487 4.837 4.350 0.000 0.000 0.279 338 E C -1.655 174.844 176.600 -0.168 0.000 0.946 338 E CA -0.589 55.736 56.400 -0.126 0.000 0.769 338 E CB 1.831 31.362 29.700 -0.281 0.000 1.230 338 E HN -0.090 nan 8.360 nan 0.000 0.442 339 D N 1.201 121.545 120.400 -0.093 0.000 2.837 339 D HA 0.414 5.054 4.640 0.000 0.000 0.294 339 D C 0.063 176.362 176.300 -0.002 0.000 1.158 339 D CA -0.430 53.536 54.000 -0.057 0.000 1.073 339 D CB 1.085 41.888 40.800 0.005 0.000 1.419 339 D HN 0.492 nan 8.370 nan 0.000 0.584 340 I N -0.679 119.910 120.570 0.032 0.000 3.947 340 I HA 0.374 4.544 4.170 0.000 0.000 0.327 340 I C -0.751 175.405 176.117 0.066 0.000 1.519 340 I CA -0.349 60.999 61.300 0.079 0.000 1.122 340 I CB 0.293 38.340 38.000 0.079 0.000 1.146 340 I HN -0.124 nan 8.210 nan 0.000 0.442 341 L N 1.305 122.560 121.223 0.055 0.000 2.343 341 L HA 0.629 4.969 4.340 0.000 0.000 0.275 341 L C 1.533 178.433 176.870 0.051 0.000 1.056 341 L CA 0.166 55.034 54.840 0.047 0.000 0.804 341 L CB 1.639 43.723 42.059 0.042 0.000 1.203 341 L HN 0.154 nan 8.230 nan 0.000 0.440 342 A N 1.224 124.070 122.820 0.043 0.000 1.933 342 A HA -0.002 4.318 4.320 0.000 0.000 0.218 342 A C 0.596 178.203 177.584 0.039 0.000 1.175 342 A CA 1.268 53.328 52.037 0.040 0.000 0.628 342 A CB -0.152 18.866 19.000 0.030 0.000 0.814 342 A HN 0.649 nan 8.150 nan 0.000 0.444 343 E N -0.333 119.889 120.200 0.037 0.000 2.256 343 E HA 0.398 4.748 4.350 0.000 0.000 0.268 343 E C -2.843 173.785 176.600 0.046 0.000 0.877 343 E CA -2.094 54.329 56.400 0.038 0.000 0.757 343 E CB 1.984 31.701 29.700 0.028 0.000 1.183 343 E HN 0.244 nan 8.360 nan 0.000 0.418 344 P HA 0.356 nan 4.420 nan 0.000 0.276 344 P C -2.483 174.861 177.300 0.073 0.000 1.252 344 P CA -1.392 61.760 63.100 0.086 0.000 0.802 344 P CB -0.157 31.614 31.700 0.119 0.000 1.035 345 P HA 0.058 nan 4.420 nan 0.000 0.269 345 P C -0.631 176.615 177.300 -0.090 0.000 1.217 345 P CA -0.002 63.066 63.100 -0.052 0.000 0.783 345 P CB 0.204 31.829 31.700 -0.126 0.000 0.898 346 V N 3.105 122.924 119.914 -0.159 0.000 2.368 346 V HA 0.197 4.317 4.120 0.000 0.000 0.266 346 V C -0.504 175.529 176.094 -0.101 0.000 1.045 346 V CA -0.048 62.213 62.300 -0.065 0.000 0.899 346 V CB -0.744 31.070 31.823 -0.015 0.000 1.006 346 V HN 0.393 nan 8.190 nan 0.000 0.470 347 Y N 5.117 125.492 120.300 0.125 0.000 2.393 347 Y HA 0.835 5.385 4.550 0.000 0.000 0.341 347 Y C 0.441 176.387 175.900 0.077 0.000 0.988 347 Y CA -0.885 57.300 58.100 0.141 0.000 1.078 347 Y CB 1.865 40.379 38.460 0.089 0.000 1.203 347 Y HN 0.736 nan 8.280 nan 0.000 0.453 348 R N 0.856 121.523 120.500 0.279 0.000 2.858 348 R HA 0.270 4.610 4.340 0.000 0.000 0.252 348 R C -1.895 174.472 176.300 0.111 0.000 1.063 348 R CA -0.941 55.208 56.100 0.082 0.000 0.955 348 R CB 0.906 31.185 30.300 -0.034 0.000 1.259 348 R HN 0.602 nan 8.270 nan 0.000 0.477 349 D N 2.676 122.983 120.400 -0.155 0.000 2.697 349 D HA -0.202 4.438 4.640 0.000 0.000 0.238 349 D C -0.414 175.875 176.300 -0.018 0.000 1.152 349 D CA 1.802 55.636 54.000 -0.277 0.000 0.666 349 D CB -0.775 40.009 40.800 -0.027 0.000 1.037 349 D HN 0.672 nan 8.370 nan 0.000 0.423 350 F N -3.274 116.746 119.950 0.116 0.000 2.871 350 F HA -0.311 4.216 4.527 -0.000 0.000 0.326 350 F C 0.775 176.549 175.800 -0.043 0.000 0.675 350 F CA 1.105 59.121 58.000 0.027 0.000 1.188 350 F CB -2.132 36.886 39.000 0.031 0.000 1.567 350 F HN 0.373 nan 8.300 nan 0.000 0.325 351 H N -0.996 118.171 119.070 0.161 0.000 2.907 351 H HA 0.774 5.330 4.556 0.000 0.000 0.361 351 H C -0.857 174.475 175.328 0.005 0.000 1.194 351 H CA -1.170 54.897 56.048 0.031 0.000 1.152 351 H CB 1.531 31.161 29.762 -0.219 0.000 1.867 351 H HN 0.013 nan 8.280 nan 0.000 0.561 352 L N 1.549 122.772 121.223 0.000 0.000 2.296 352 L HA 0.390 4.730 4.340 0.000 0.000 0.286 352 L C -1.122 175.570 176.870 -0.297 0.000 1.023 352 L CA -0.311 54.420 54.840 -0.182 0.000 0.812 352 L CB 0.362 42.316 42.059 -0.175 0.000 1.223 352 L HN 0.621 nan 8.230 nan 0.000 0.421 353 H N 3.822 122.820 119.070 -0.120 0.000 2.556 353 H HA 0.541 5.097 4.556 -0.000 0.000 0.310 353 H C -0.653 174.608 175.328 -0.113 0.000 1.057 353 H CA -0.552 55.447 56.048 -0.082 0.000 1.264 353 H CB 1.381 31.106 29.762 -0.061 0.000 1.404 353 H HN 0.423 nan 8.280 nan 0.000 0.462 354 V N 3.636 123.519 119.914 -0.051 0.000 2.383 354 V HA 0.202 4.322 4.120 0.000 0.000 0.275 354 V C 0.614 176.676 176.094 -0.054 0.000 1.036 354 V CA -0.685 61.553 62.300 -0.103 0.000 0.889 354 V CB 1.042 32.710 31.823 -0.259 0.000 0.985 354 V HN 0.965 nan 8.190 nan 0.000 0.459 355 S N 4.536 120.228 115.700 -0.012 0.000 2.641 355 S HA 0.323 4.793 4.470 0.000 0.000 0.261 355 S C 0.388 175.008 174.600 0.032 0.000 1.257 355 S CA -0.440 57.768 58.200 0.014 0.000 0.983 355 S CB 0.685 63.901 63.200 0.026 0.000 0.990 355 S HN 0.683 nan 8.310 nan 0.000 0.572 356 K N 0.365 120.786 120.400 0.035 0.000 2.498 356 K HA 0.365 4.685 4.320 0.000 0.000 0.207 356 K C 0.333 176.964 176.600 0.051 0.000 1.033 356 K CA -0.160 56.155 56.287 0.047 0.000 1.138 356 K CB 0.343 32.859 32.500 0.026 0.000 0.860 356 K HN 0.667 nan 8.250 nan 0.000 0.490 357 A N 2.594 125.447 122.820 0.054 0.000 2.425 357 A HA 0.247 4.567 4.320 0.000 0.000 0.242 357 A C -2.328 175.275 177.584 0.031 0.000 1.077 357 A CA -1.043 51.016 52.037 0.036 0.000 0.781 357 A CB -0.115 18.903 19.000 0.030 0.000 1.020 357 A HN -0.012 nan 8.150 nan 0.000 0.494 358 P HA 0.285 nan 4.420 nan 0.000 0.267 358 P C 1.111 178.386 177.300 -0.043 0.000 1.200 358 P CA 1.748 64.841 63.100 -0.011 0.000 0.772 358 P CB 0.406 32.099 31.700 -0.010 0.000 0.855 359 G N 1.823 110.577 108.800 -0.076 0.000 2.596 359 G HA2 -0.318 3.642 3.960 0.000 0.000 0.295 359 G HA3 -0.318 3.642 3.960 0.000 0.000 0.295 359 G C 0.653 175.393 174.900 -0.267 0.000 1.240 359 G CA 0.222 45.238 45.100 -0.140 0.000 0.985 359 G HN 0.514 nan 8.290 nan 0.000 0.555 360 L N 2.428 123.502 121.223 -0.249 0.000 2.627 360 L HA 0.351 4.691 4.340 0.000 0.000 0.233 360 L C 2.185 179.000 176.870 -0.091 0.000 1.144 360 L CA 0.732 55.391 54.840 -0.302 0.000 0.892 360 L CB -0.652 41.296 42.059 -0.185 0.000 1.039 360 L HN 1.781 nan 8.230 nan 0.000 0.442 361 G N 1.549 110.318 108.800 -0.052 0.000 2.356 361 G HA2 -0.267 3.693 3.960 0.000 0.000 0.296 361 G HA3 -0.267 3.693 3.960 0.000 0.000 0.296 361 G C -0.182 174.725 174.900 0.012 0.000 1.022 361 G CA 0.853 45.959 45.100 0.010 0.000 0.961 361 G HN 0.377 nan 8.290 nan 0.000 0.510 362 L N -3.114 118.106 121.223 -0.004 0.000 2.341 362 L HA 1.028 5.368 4.340 0.000 0.000 0.254 362 L C -0.095 176.776 176.870 0.002 0.000 1.040 362 L CA -0.871 53.972 54.840 0.004 0.000 0.837 362 L CB 1.753 43.815 42.059 0.005 0.000 1.425 362 L HN 0.747 nan 8.230 nan 0.000 0.414 363 S N -0.127 115.579 115.700 0.010 0.000 2.540 363 S HA 0.733 5.203 4.470 0.000 0.000 0.275 363 S C -0.616 173.996 174.600 0.019 0.000 1.123 363 S CA -0.822 57.385 58.200 0.011 0.000 0.907 363 S CB 1.204 64.411 63.200 0.012 0.000 1.081 363 S HN 0.810 nan 8.310 nan 0.000 0.476 364 L N 2.097 123.332 121.223 0.021 0.000 2.461 364 L HA 0.281 4.621 4.340 0.000 0.000 0.272 364 L C 0.350 177.244 176.870 0.039 0.000 1.197 364 L CA -0.049 54.809 54.840 0.031 0.000 0.836 364 L CB 0.428 42.505 42.059 0.030 0.000 1.105 364 L HN 0.817 nan 8.230 nan 0.000 0.477 365 D N 2.966 123.398 120.400 0.054 0.000 2.518 365 D HA 0.017 4.657 4.640 0.000 0.000 0.230 365 D C 0.882 177.225 176.300 0.072 0.000 1.138 365 D CA -0.258 53.779 54.000 0.061 0.000 0.964 365 D CB 0.748 41.595 40.800 0.077 0.000 1.011 365 D HN 0.477 nan 8.370 nan 0.000 0.517 366 E N 1.651 121.884 120.200 0.055 0.000 2.169 366 E HA -0.281 4.069 4.350 0.000 0.000 0.202 366 E C 1.383 178.024 176.600 0.068 0.000 1.016 366 E CA 1.119 57.552 56.400 0.055 0.000 0.817 366 E CB 0.165 29.887 29.700 0.038 0.000 0.736 366 E HN 0.711 nan 8.360 nan 0.000 0.462 367 E N 0.723 120.962 120.200 0.064 0.000 2.072 367 E HA -0.142 4.208 4.350 0.000 0.000 0.191 367 E C 2.170 178.837 176.600 0.112 0.000 0.985 367 E CA 0.652 57.090 56.400 0.063 0.000 0.801 367 E CB 0.102 29.819 29.700 0.029 0.000 0.750 367 E HN 0.118 nan 8.360 nan 0.000 0.452 368 R N 0.051 120.643 120.500 0.154 0.000 2.092 368 R HA -0.111 4.229 4.340 0.000 0.000 0.231 368 R C 2.553 179.066 176.300 0.355 0.000 1.119 368 R CA 1.015 57.294 56.100 0.297 0.000 0.970 368 R CB -0.355 30.131 30.300 0.310 0.000 0.864 368 R HN 0.235 nan 8.270 nan 0.000 0.440 369 L N 0.889 122.244 121.223 0.220 0.000 1.994 369 L HA -0.096 4.244 4.340 0.000 0.000 0.208 369 L C 2.265 179.224 176.870 0.148 0.000 1.071 369 L CA 2.108 57.055 54.840 0.179 0.000 0.745 369 L CB -0.782 41.342 42.059 0.108 0.000 0.892 369 L HN 0.107 nan 8.230 nan 0.000 0.431 370 A N -1.172 121.718 122.820 0.116 0.000 1.986 370 A HA -0.281 4.039 4.320 0.000 0.000 0.220 370 A C 2.257 179.886 177.584 0.075 0.000 1.171 370 A CA 2.092 54.178 52.037 0.081 0.000 0.640 370 A CB -1.160 17.883 19.000 0.071 0.000 0.811 370 A HN 0.600 nan 8.150 nan 0.000 0.451 371 F N -1.155 118.748 119.950 -0.079 0.000 2.187 371 F HA 0.078 4.605 4.527 0.000 0.000 0.295 371 F C 1.561 177.183 175.800 -0.296 0.000 1.091 371 F CA 1.073 58.928 58.000 -0.243 0.000 1.308 371 F CB -0.113 38.632 39.000 -0.426 0.000 1.030 371 F HN 0.175 nan 8.300 nan 0.000 0.487 372 F N 1.153 121.070 119.950 -0.054 0.000 2.754 372 F HA 0.167 4.694 4.527 -0.000 0.000 0.297 372 F C 1.160 176.898 175.800 -0.104 0.000 1.122 372 F CA -0.136 57.781 58.000 -0.139 0.000 1.400 372 F CB -0.643 38.371 39.000 0.023 0.000 1.117 372 F HN -0.203 nan 8.300 nan 0.000 0.587 373 R N 1.361 121.911 120.500 0.083 0.000 2.623 373 R HA 0.148 4.488 4.340 0.000 0.000 0.271 373 R C 0.489 176.784 176.300 -0.008 0.000 1.043 373 R CA -0.478 55.649 56.100 0.045 0.000 1.083 373 R CB 0.774 31.096 30.300 0.037 0.000 0.974 373 R HN 0.159 nan 8.270 nan 0.000 0.436 374 R N 0.000 120.500 120.500 0.000 0.000 2.786 374 R HA 0.000 4.340 4.340 0.000 0.000 0.208 374 R CA 0.000 56.090 56.100 -0.016 0.000 0.921 374 R CB 0.000 30.297 30.300 -0.005 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535