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 2awo_1_C DATA FIRST_RESID 2 DATA SEQUENCE ASVQLQNVTX XXXXXXVSKD INLDIHEGEF VVFVGPSGCG KSTLLRMIAG DATA SEQUENCE LETITSGDLF IGEKRMNDTP PAERGVGMVX XXXALYPHLS VAENMSFGLK DATA SEQUENCE LAGAKKEVIN QRVNQVAEVL QLAHLLDRKP KALSGGQRQR VAIGRTLVAE DATA SEQUENCE PSVFLLDEPL SNLDAALRVQ MRIEISRLHK RLGRTMIYVT HDQVEAMTLA DATA SEQUENCE DKIVVLDAGR VAQVGKPLEL YHYPADRFVA GFIGSPKMNF LPVKVTATAI DATA SEQUENCE DQVQVELPMP NRQQVWLPVE SRDVQVGANM SLGIRPEHLL PSDIADVILE DATA SEQUENCE GEVQVVEQLG NETQIHIQIP SIRQNLVYRQ NDVVLVEEGA TFAIGLPPER DATA SEQUENCE CHLFREDGTA CRRLHKEPGV ASAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.616 177.584 0.054 0.000 1.274 2 A CA 0.000 52.067 52.037 0.050 0.000 0.836 2 A CB 0.000 19.007 19.000 0.012 0.000 0.831 3 S N -1.019 114.736 115.700 0.092 0.000 2.994 3 S HA -0.032 4.438 4.470 0.000 0.000 0.848 3 S C -0.557 174.111 174.600 0.115 0.000 0.929 3 S CA 0.515 58.791 58.200 0.127 0.000 1.388 3 S CB -1.031 62.258 63.200 0.148 0.000 1.001 3 S HN 1.759 nan 8.310 nan 0.000 0.347 4 V N 6.900 126.894 119.914 0.133 0.000 2.638 4 V HA 0.640 4.760 4.120 0.000 0.000 0.306 4 V C 0.018 176.218 176.094 0.178 0.000 1.052 4 V CA -0.561 61.823 62.300 0.141 0.000 0.885 4 V CB 2.031 33.915 31.823 0.101 0.000 0.999 4 V HN 0.860 nan 8.190 nan 0.000 0.424 5 Q N 4.139 124.084 119.800 0.242 0.000 2.323 5 Q HA 0.670 5.011 4.340 0.000 0.000 0.271 5 Q C -1.840 174.245 176.000 0.141 0.000 1.048 5 Q CA -0.833 55.079 55.803 0.181 0.000 0.792 5 Q CB 2.963 31.803 28.738 0.170 0.000 1.280 5 Q HN 0.496 nan 8.270 nan 0.000 0.441 6 L N 2.505 123.775 121.223 0.079 0.000 2.325 6 L HA 0.351 4.691 4.340 0.000 0.000 0.281 6 L C -0.549 176.329 176.870 0.014 0.000 1.004 6 L CA -0.057 54.816 54.840 0.054 0.000 0.823 6 L CB 1.660 43.747 42.059 0.047 0.000 1.236 6 L HN 0.478 nan 8.230 nan 0.000 0.415 7 Q N 3.224 123.027 119.800 0.005 0.000 2.381 7 Q HA 0.361 4.701 4.340 0.000 0.000 0.263 7 Q C -0.322 175.670 176.000 -0.013 0.000 1.030 7 Q CA -0.566 55.225 55.803 -0.018 0.000 0.772 7 Q CB 0.888 29.602 28.738 -0.040 0.000 1.232 7 Q HN 0.613 nan 8.270 nan 0.000 0.476 8 N N -0.513 118.176 118.700 -0.019 0.000 2.721 8 N HA -0.180 4.560 4.740 0.000 0.000 0.249 8 N C -0.690 174.811 175.510 -0.014 0.000 1.072 8 N CA 0.337 53.376 53.050 -0.019 0.000 0.710 8 N CB -1.120 37.357 38.487 -0.018 0.000 0.993 8 N HN 0.287 nan 8.380 nan 0.000 0.547 9 V N -0.032 119.875 119.914 -0.012 0.000 2.655 9 V HA 0.275 4.395 4.120 0.000 0.000 0.300 9 V C 1.094 177.178 176.094 -0.016 0.000 1.044 9 V CA 0.532 62.829 62.300 -0.005 0.000 1.095 9 V CB 1.417 33.243 31.823 0.005 0.000 0.952 9 V HN 0.334 nan 8.190 nan 0.000 0.485 19 S N 2.292 117.968 115.700 -0.040 0.000 2.707 19 S HA 0.658 5.128 4.470 0.000 0.000 0.303 19 S C -0.845 173.724 174.600 -0.052 0.000 1.132 19 S CA -0.650 57.519 58.200 -0.052 0.000 1.046 19 S CB 1.460 64.637 63.200 -0.039 0.000 1.004 19 S HN 0.558 nan 8.310 nan 0.000 0.483 20 K N 1.812 122.172 120.400 -0.067 0.000 2.316 20 K HA 0.291 4.611 4.320 0.000 0.000 0.267 20 K C -0.645 175.919 176.600 -0.059 0.000 1.025 20 K CA -0.718 55.533 56.287 -0.060 0.000 0.896 20 K CB 0.885 33.345 32.500 -0.067 0.000 1.124 20 K HN 0.667 nan 8.250 nan 0.000 0.451 21 D N 3.074 123.447 120.400 -0.045 0.000 2.779 21 D HA -0.196 4.444 4.640 0.000 0.000 0.223 21 D C -0.013 176.258 176.300 -0.049 0.000 1.227 21 D CA 0.331 54.306 54.000 -0.040 0.000 0.653 21 D CB -0.389 40.390 40.800 -0.036 0.000 0.973 21 D HN 0.595 nan 8.370 nan 0.000 0.402 22 I N -1.269 119.267 120.570 -0.057 0.000 2.441 22 I HA 0.342 4.513 4.170 0.000 0.000 0.287 22 I C -0.701 175.384 176.117 -0.053 0.000 1.049 22 I CA -0.264 60.992 61.300 -0.073 0.000 1.381 22 I CB 1.040 38.975 38.000 -0.108 0.000 1.409 22 I HN 0.036 nan 8.210 nan 0.000 0.523 23 N N 7.357 126.026 118.700 -0.052 0.000 2.483 23 N HA 0.537 5.277 4.740 0.000 0.000 0.267 23 N C -1.315 174.176 175.510 -0.032 0.000 0.998 23 N CA -0.440 52.589 53.050 -0.034 0.000 0.918 23 N CB 2.267 40.738 38.487 -0.027 0.000 1.215 23 N HN 0.482 nan 8.380 nan 0.000 0.500 24 L N 1.535 122.749 121.223 -0.016 0.000 2.422 24 L HA 0.388 4.728 4.340 0.000 0.000 0.264 24 L C -0.540 176.336 176.870 0.011 0.000 0.984 24 L CA -0.545 54.294 54.840 -0.001 0.000 0.819 24 L CB 2.024 44.092 42.059 0.015 0.000 1.330 24 L HN 0.358 nan 8.230 nan 0.000 0.410 25 D N 2.989 123.377 120.400 -0.020 0.000 2.420 25 D HA 0.431 5.072 4.640 0.000 0.000 0.255 25 D C -1.074 175.087 176.300 -0.232 0.000 1.185 25 D CA -0.201 53.763 54.000 -0.060 0.000 0.904 25 D CB 0.570 41.356 40.800 -0.023 0.000 1.102 25 D HN 0.198 nan 8.370 nan 0.000 0.534 26 I N 4.958 125.459 120.570 -0.115 0.000 2.304 26 I HA 0.193 4.364 4.170 0.000 0.000 0.291 26 I C 0.732 176.798 176.117 -0.085 0.000 1.018 26 I CA -0.514 60.711 61.300 -0.125 0.000 1.260 26 I CB 0.767 38.789 38.000 0.037 0.000 1.390 26 I HN 0.270 nan 8.210 nan 0.000 0.475 27 H N 4.540 123.678 119.070 0.115 0.000 2.508 27 H HA 0.310 4.866 4.556 0.000 0.000 0.358 27 H C 0.137 175.526 175.328 0.102 0.000 1.212 27 H CA -0.630 55.481 56.048 0.104 0.000 1.356 27 H CB 0.719 30.537 29.762 0.094 0.000 1.525 27 H HN 0.443 nan 8.280 nan 0.000 0.578 28 E N 0.470 120.811 120.200 0.234 0.000 2.452 28 E HA 0.004 4.354 4.350 0.000 0.000 0.261 28 E C 1.090 177.783 176.600 0.156 0.000 0.987 28 E CA 0.997 57.491 56.400 0.156 0.000 0.926 28 E CB 0.488 30.258 29.700 0.116 0.000 0.934 28 E HN 0.934 nan 8.360 nan 0.000 0.452 29 G N 3.689 112.576 108.800 0.145 0.000 2.220 29 G HA2 -0.364 3.597 3.960 0.000 0.000 0.269 29 G HA3 -0.364 3.597 3.960 0.000 0.000 0.269 29 G C 0.429 175.472 174.900 0.238 0.000 0.977 29 G CA 0.782 45.979 45.100 0.161 0.000 0.634 29 G HN 0.556 nan 8.290 nan 0.000 0.539 30 E N -0.371 119.957 120.200 0.213 0.000 2.392 30 E HA 0.417 4.767 4.350 0.000 0.000 0.264 30 E C -0.650 176.073 176.600 0.205 0.000 1.024 30 E CA -0.743 55.792 56.400 0.226 0.000 0.903 30 E CB 0.192 30.001 29.700 0.181 0.000 0.963 30 E HN 0.124 nan 8.360 nan 0.000 0.432 31 F N 5.177 125.135 119.950 0.013 0.000 2.332 31 F HA 0.295 4.822 4.527 0.000 0.000 0.368 31 F C -0.988 174.764 175.800 -0.079 0.000 1.110 31 F CA -0.812 57.083 58.000 -0.175 0.000 1.087 31 F CB 0.545 39.215 39.000 -0.551 0.000 1.235 31 F HN 0.078 nan 8.300 nan 0.000 0.470 32 V N 6.488 126.587 119.914 0.308 0.000 2.513 32 V HA 0.548 4.668 4.120 0.000 0.000 0.299 32 V C -0.600 175.648 176.094 0.257 0.000 1.035 32 V CA -0.818 61.633 62.300 0.251 0.000 0.889 32 V CB 1.873 33.803 31.823 0.178 0.000 0.988 32 V HN 0.432 nan 8.190 nan 0.000 0.440 33 V N 4.936 125.017 119.914 0.277 0.000 2.495 33 V HA 0.486 4.606 4.120 0.000 0.000 0.298 33 V C -0.495 175.868 176.094 0.448 0.000 1.031 33 V CA -0.520 61.957 62.300 0.295 0.000 0.871 33 V CB 1.778 33.736 31.823 0.225 0.000 0.988 33 V HN 0.671 nan 8.190 nan 0.000 0.432 34 F N 4.015 124.067 119.950 0.169 0.000 2.405 34 F HA 0.598 5.125 4.527 0.000 0.000 0.355 34 F C 0.008 175.890 175.800 0.137 0.000 1.121 34 F CA -0.922 57.148 58.000 0.116 0.000 1.112 34 F CB 1.723 40.773 39.000 0.083 0.000 1.126 34 F HN 0.219 nan 8.300 nan 0.000 0.481 35 V N 2.200 122.291 119.914 0.296 0.000 2.680 35 V HA 0.972 5.093 4.120 0.000 0.000 0.309 35 V C 0.013 176.151 176.094 0.074 0.000 1.052 35 V CA -0.706 61.759 62.300 0.275 0.000 0.908 35 V CB 1.470 33.525 31.823 0.386 0.000 1.001 35 V HN 0.960 nan 8.190 nan 0.000 0.431 36 G N 3.344 112.238 108.800 0.157 0.000 2.387 36 G HA2 0.581 4.542 3.960 0.000 0.000 0.294 36 G HA3 0.581 4.542 3.960 0.000 0.000 0.294 36 G C -3.511 171.572 174.900 0.304 0.000 1.509 36 G CA -0.761 44.284 45.100 -0.091 0.000 0.806 36 G HN 0.544 nan 8.290 nan 0.000 0.546 37 P HA 0.180 nan 4.420 nan 0.000 0.273 37 P C 1.434 178.851 177.300 0.195 0.000 1.250 37 P CA 0.744 64.050 63.100 0.343 0.000 0.793 37 P CB 1.105 33.002 31.700 0.329 0.000 1.011 38 S N 1.313 117.083 115.700 0.117 0.000 1.736 38 S HA -0.264 4.206 4.470 0.000 0.000 0.536 38 S C 1.535 176.181 174.600 0.077 0.000 0.915 38 S CA 1.587 59.821 58.200 0.057 0.000 3.375 38 S CB -2.403 60.812 63.200 0.024 0.000 2.348 38 S HN 0.777 nan 8.310 nan 0.000 0.574 39 G N 0.373 109.204 108.800 0.052 0.000 3.741 39 G HA2 0.363 4.323 3.960 0.000 0.000 0.263 39 G HA3 0.363 4.323 3.960 0.000 0.000 0.263 39 G C 0.956 175.874 174.900 0.029 0.000 1.175 39 G CA 0.092 45.216 45.100 0.041 0.000 1.642 39 G HN 1.192 nan 8.290 nan 0.000 0.644 40 C N -1.548 117.775 119.300 0.039 0.000 2.522 40 C HA 0.491 4.951 4.460 0.000 0.000 0.271 40 C C 1.961 176.940 174.990 -0.018 0.000 1.425 40 C CA 0.125 59.142 59.018 -0.003 0.000 1.751 40 C CB -0.743 26.995 27.740 -0.005 0.000 1.775 40 C HN 1.152 nan 8.230 nan 0.000 0.557 41 G N 0.566 109.375 108.800 0.015 0.000 2.154 41 G HA2 -0.186 3.775 3.960 0.000 0.000 0.186 41 G HA3 -0.186 3.775 3.960 0.000 0.000 0.186 41 G C 0.744 175.675 174.900 0.052 0.000 1.000 41 G CA 0.269 45.377 45.100 0.014 0.000 0.664 41 G HN 0.541 nan 8.290 nan 0.000 0.513 42 K N 0.675 121.131 120.400 0.095 0.000 2.002 42 K HA -0.037 4.283 4.320 0.000 0.000 0.209 42 K C 2.631 179.331 176.600 0.168 0.000 1.048 42 K CA 1.769 58.165 56.287 0.182 0.000 0.930 42 K CB -0.284 32.333 32.500 0.194 0.000 0.714 42 K HN 0.297 nan 8.250 nan 0.000 0.438 43 S N 0.602 116.363 115.700 0.102 0.000 2.368 43 S HA -0.135 4.335 4.470 0.000 0.000 0.225 43 S C 2.079 176.719 174.600 0.066 0.000 1.030 43 S CA 1.710 59.951 58.200 0.068 0.000 0.999 43 S CB -0.429 62.798 63.200 0.045 0.000 0.844 43 S HN 0.333 nan 8.310 nan 0.000 0.459 44 T N 2.909 117.499 114.554 0.059 0.000 2.720 44 T HA -0.038 4.312 4.350 0.000 0.000 0.268 44 T C 1.723 176.463 174.700 0.066 0.000 1.037 44 T CA 1.021 63.148 62.100 0.046 0.000 1.144 44 T CB -0.468 68.416 68.868 0.028 0.000 0.864 44 T HN 0.228 nan 8.240 nan 0.000 0.444 45 L N 0.263 121.549 121.223 0.104 0.000 1.989 45 L HA -0.091 4.249 4.340 0.000 0.000 0.211 45 L C 2.567 179.544 176.870 0.177 0.000 1.071 45 L CA 1.319 56.254 54.840 0.158 0.000 0.749 45 L CB -0.529 41.683 42.059 0.255 0.000 0.890 45 L HN 0.276 nan 8.230 nan 0.000 0.431 46 L N -0.651 120.672 121.223 0.167 0.000 2.013 46 L HA -0.271 4.070 4.340 0.000 0.000 0.212 46 L C 2.916 179.813 176.870 0.044 0.000 1.073 46 L CA 1.456 56.340 54.840 0.072 0.000 0.753 46 L CB -0.527 41.538 42.059 0.010 0.000 0.890 46 L HN 0.297 nan 8.230 nan 0.000 0.432 47 R N -0.547 119.978 120.500 0.041 0.000 2.105 47 R HA -0.175 4.165 4.340 0.000 0.000 0.239 47 R C 2.217 178.533 176.300 0.026 0.000 1.135 47 R CA 1.397 57.511 56.100 0.023 0.000 0.967 47 R CB -0.380 29.932 30.300 0.020 0.000 0.861 47 R HN 0.419 nan 8.270 nan 0.000 0.442 48 M N 0.197 119.821 119.600 0.040 0.000 2.175 48 M HA -0.121 4.359 4.480 0.000 0.000 0.264 48 M C 2.096 178.420 176.300 0.040 0.000 1.063 48 M CA 1.257 56.579 55.300 0.037 0.000 1.119 48 M CB -0.158 32.468 32.600 0.043 0.000 1.377 48 M HN 0.070 nan 8.290 nan 0.000 0.415 49 I N 0.293 120.894 120.570 0.053 0.000 2.315 49 I HA -0.154 4.016 4.170 0.000 0.000 0.248 49 I C 2.605 178.731 176.117 0.016 0.000 1.117 49 I CA 1.317 62.645 61.300 0.046 0.000 1.404 49 I CB -1.542 36.495 38.000 0.062 0.000 1.071 49 I HN 0.189 nan 8.210 nan 0.000 0.419 50 A N -0.039 122.785 122.820 0.007 0.000 2.016 50 A HA 0.237 4.557 4.320 0.000 0.000 0.217 50 A C 1.994 179.571 177.584 -0.010 0.000 1.162 50 A CA 1.314 53.344 52.037 -0.012 0.000 0.662 50 A CB -0.541 18.449 19.000 -0.017 0.000 0.812 50 A HN 0.550 nan 8.150 nan 0.000 0.450 51 G N -1.607 107.193 108.800 -0.000 0.000 2.144 51 G HA2 -0.190 3.770 3.960 0.000 0.000 0.218 51 G HA3 -0.190 3.770 3.960 0.000 0.000 0.218 51 G C 0.547 175.446 174.900 -0.003 0.000 0.988 51 G CA 0.277 45.377 45.100 -0.001 0.000 0.659 51 G HN 0.447 nan 8.290 nan 0.000 0.522 52 L N -0.364 120.858 121.223 -0.002 0.000 2.612 52 L HA 0.386 4.727 4.340 0.000 0.000 0.230 52 L C 0.520 177.391 176.870 0.002 0.000 1.140 52 L CA 0.453 55.292 54.840 -0.003 0.000 0.896 52 L CB 0.036 42.092 42.059 -0.004 0.000 1.065 52 L HN 0.136 nan 8.230 nan 0.000 0.447 53 E N -0.251 119.952 120.200 0.005 0.000 2.375 53 E HA 0.277 4.628 4.350 0.000 0.000 0.280 53 E C -0.715 175.891 176.600 0.009 0.000 0.972 53 E CA -0.301 56.103 56.400 0.008 0.000 0.782 53 E CB 2.157 31.864 29.700 0.012 0.000 1.229 53 E HN -0.073 nan 8.360 nan 0.000 0.439 54 T N -1.255 113.304 114.554 0.007 0.000 2.909 54 T HA 0.658 5.008 4.350 0.000 0.000 0.286 54 T C 0.759 175.465 174.700 0.010 0.000 1.002 54 T CA -0.647 61.458 62.100 0.008 0.000 1.074 54 T CB 0.453 69.324 68.868 0.005 0.000 0.984 54 T HN 0.335 nan 8.240 nan 0.000 0.495 55 I N 3.369 123.946 120.570 0.012 0.000 2.281 55 I HA 0.148 4.318 4.170 0.000 0.000 0.293 55 I C 2.018 178.140 176.117 0.008 0.000 1.085 55 I CA -0.640 60.668 61.300 0.013 0.000 1.257 55 I CB 0.910 38.922 38.000 0.019 0.000 1.430 55 I HN 1.004 nan 8.210 nan 0.000 0.489 56 T N 1.103 115.659 114.554 0.004 0.000 2.946 56 T HA -0.099 4.251 4.350 0.000 0.000 0.271 56 T C 0.671 175.372 174.700 0.001 0.000 1.104 56 T CA 0.988 63.089 62.100 0.001 0.000 1.114 56 T CB 0.000 68.867 68.868 -0.002 0.000 0.867 56 T HN 0.589 nan 8.240 nan 0.000 0.513 57 S N -1.492 114.210 115.700 0.002 0.000 2.580 57 S HA 0.537 5.007 4.470 0.000 0.000 0.281 57 S C -0.261 174.341 174.600 0.003 0.000 1.129 57 S CA 0.289 58.490 58.200 0.001 0.000 0.862 57 S CB 0.967 64.165 63.200 -0.003 0.000 1.090 57 S HN 1.808 nan 8.310 nan 0.000 0.451 58 G N 2.703 111.506 108.800 0.005 0.000 2.661 58 G HA2 0.102 4.062 3.960 0.000 0.000 0.685 58 G HA3 0.102 4.062 3.960 0.000 0.000 0.685 58 G C -1.781 173.130 174.900 0.019 0.000 1.298 58 G CA -0.222 44.882 45.100 0.006 0.000 0.855 58 G HN 0.891 nan 8.290 nan 0.000 0.560 59 D N -0.574 119.840 120.400 0.024 0.000 2.340 59 D HA 0.628 5.268 4.640 0.000 0.000 0.240 59 D C -0.590 175.756 176.300 0.077 0.000 1.001 59 D CA -0.432 53.598 54.000 0.050 0.000 0.888 59 D CB 2.582 43.411 40.800 0.049 0.000 1.310 59 D HN 0.573 nan 8.370 nan 0.000 0.474 60 L N 1.101 122.391 121.223 0.112 0.000 2.381 60 L HA 0.667 5.008 4.340 0.000 0.000 0.268 60 L C -1.956 175.054 176.870 0.232 0.000 0.997 60 L CA -0.743 54.183 54.840 0.143 0.000 0.818 60 L CB 1.957 44.071 42.059 0.091 0.000 1.310 60 L HN 0.387 nan 8.230 nan 0.000 0.416 61 F N 6.114 126.078 119.950 0.023 0.000 3.034 61 F HA 0.566 5.094 4.527 0.000 0.000 0.371 61 F C -1.442 174.374 175.800 0.027 0.000 1.233 61 F CA -0.469 57.545 58.000 0.023 0.000 1.134 61 F CB 0.875 39.891 39.000 0.026 0.000 1.495 61 F HN 0.353 nan 8.300 nan 0.000 0.563 62 I N 6.954 127.414 120.570 -0.183 0.000 2.291 62 I HA 0.495 4.665 4.170 0.000 0.000 0.290 62 I C 0.903 176.845 176.117 -0.291 0.000 1.050 62 I CA 0.462 61.671 61.300 -0.152 0.000 1.245 62 I CB 0.791 38.741 38.000 -0.084 0.000 1.405 62 I HN 0.906 nan 8.210 nan 0.000 0.478 63 G N 5.232 113.888 108.800 -0.239 0.000 5.353 63 G HA2 -0.245 3.715 3.960 0.000 0.000 0.283 63 G HA3 -0.245 3.715 3.960 0.000 0.000 0.283 63 G C 0.715 175.372 174.900 -0.405 0.000 1.457 63 G CA 0.228 45.195 45.100 -0.221 0.000 0.951 63 G HN 0.517 nan 8.290 nan 0.000 0.731 64 E N -0.176 119.591 120.200 -0.722 0.000 2.534 64 E HA 0.170 4.520 4.350 0.000 0.000 0.179 64 E C -0.166 175.954 176.600 -0.800 0.000 0.916 64 E CA 0.260 56.173 56.400 -0.812 0.000 1.354 64 E CB 0.751 30.361 29.700 -0.150 0.000 1.321 64 E HN 0.447 nan 8.360 nan 0.000 0.663 65 K N 0.878 120.870 120.400 -0.679 0.000 2.207 65 K HA 0.383 4.703 4.320 0.000 0.000 0.255 65 K C -0.085 176.384 176.600 -0.219 0.000 0.941 65 K CA -0.558 55.549 56.287 -0.301 0.000 0.825 65 K CB 1.849 34.250 32.500 -0.165 0.000 1.119 65 K HN -0.163 nan 8.250 nan 0.000 0.430 66 R N 3.254 123.757 120.500 0.005 0.000 2.343 66 R HA 0.051 4.391 4.340 0.000 0.000 0.326 66 R C 0.270 176.584 176.300 0.024 0.000 1.055 66 R CA 0.095 56.248 56.100 0.089 0.000 0.961 66 R CB 0.276 30.647 30.300 0.118 0.000 0.978 66 R HN 0.572 nan 8.270 nan 0.000 0.443 67 M N 2.769 122.380 119.600 0.019 0.000 2.541 67 M HA -0.017 4.464 4.480 0.000 0.000 0.252 67 M C 0.884 177.193 176.300 0.015 0.000 1.125 67 M CA 0.527 55.828 55.300 0.001 0.000 1.091 67 M CB -0.774 31.820 32.600 -0.010 0.000 1.420 67 M HN 0.568 nan 8.290 nan 0.000 0.486 68 N N 1.821 120.540 118.700 0.032 0.000 2.103 68 N HA -0.185 4.555 4.740 0.000 0.000 0.200 68 N C 0.183 175.703 175.510 0.015 0.000 1.016 68 N CA 1.535 54.601 53.050 0.027 0.000 0.890 68 N CB -0.203 38.303 38.487 0.032 0.000 1.075 68 N HN 0.339 nan 8.380 nan 0.000 0.506 69 D N 0.350 120.758 120.400 0.013 0.000 2.524 69 D HA 0.232 4.873 4.640 0.000 0.000 0.222 69 D C -0.652 175.648 176.300 0.000 0.000 1.142 69 D CA 0.320 54.324 54.000 0.006 0.000 0.973 69 D CB 0.430 41.235 40.800 0.007 0.000 1.025 69 D HN 0.078 nan 8.370 nan 0.000 0.519 70 T N 1.952 116.504 114.554 -0.004 0.000 3.105 70 T HA 0.273 4.623 4.350 0.000 0.000 0.321 70 T C -2.689 172.003 174.700 -0.013 0.000 1.135 70 T CA -1.103 60.991 62.100 -0.011 0.000 1.053 70 T CB 2.823 71.681 68.868 -0.017 0.000 1.133 70 T HN 0.044 nan 8.240 nan 0.000 0.463 71 P HA 0.173 nan 4.420 nan 0.000 0.265 71 P C -2.244 175.043 177.300 -0.022 0.000 1.193 71 P CA -1.040 62.050 63.100 -0.017 0.000 0.765 71 P CB 0.547 32.236 31.700 -0.018 0.000 0.823 72 P HA -0.253 nan 4.420 nan 0.000 0.218 72 P C 1.413 178.693 177.300 -0.034 0.000 1.154 72 P CA 2.481 65.565 63.100 -0.026 0.000 0.872 72 P CB -0.385 31.301 31.700 -0.024 0.000 0.790 73 A N -0.770 122.030 122.820 -0.033 0.000 2.168 73 A HA -0.133 4.187 4.320 0.000 0.000 0.215 73 A C 1.545 179.107 177.584 -0.038 0.000 1.152 73 A CA 1.137 53.152 52.037 -0.036 0.000 0.716 73 A CB -0.786 18.195 19.000 -0.032 0.000 0.794 73 A HN 0.268 nan 8.150 nan 0.000 0.465 74 E N -0.907 119.271 120.200 -0.036 0.000 2.499 74 E HA 0.130 4.480 4.350 0.000 0.000 0.199 74 E C 1.082 177.656 176.600 -0.044 0.000 1.016 74 E CA -0.256 56.121 56.400 -0.037 0.000 0.933 74 E CB 0.322 30.004 29.700 -0.030 0.000 1.050 74 E HN 0.496 nan 8.360 nan 0.000 0.462 75 R N -0.161 120.309 120.500 -0.049 0.000 2.265 75 R HA 0.111 4.451 4.340 0.000 0.000 0.194 75 R C 1.042 177.300 176.300 -0.069 0.000 0.931 75 R CA 0.577 56.644 56.100 -0.056 0.000 1.032 75 R CB 0.611 30.882 30.300 -0.048 0.000 0.980 75 R HN 0.204 nan 8.270 nan 0.000 0.497 76 G N 1.701 110.455 108.800 -0.078 0.000 2.149 76 G HA2 -0.240 3.721 3.960 0.000 0.000 0.235 76 G HA3 -0.240 3.721 3.960 0.000 0.000 0.235 76 G C 0.010 174.829 174.900 -0.136 0.000 1.018 76 G CA 0.254 45.296 45.100 -0.097 0.000 0.728 76 G HN 0.276 nan 8.290 nan 0.000 0.508 77 V N -2.061 117.772 119.914 -0.134 0.000 2.715 77 V HA 1.031 5.151 4.120 0.000 0.000 0.310 77 V C 0.439 176.417 176.094 -0.193 0.000 1.054 77 V CA -0.207 61.992 62.300 -0.169 0.000 0.928 77 V CB 2.167 33.926 31.823 -0.107 0.000 1.007 77 V HN 1.409 nan 8.190 nan 0.000 0.437 78 G N 3.562 112.198 108.800 -0.274 0.000 2.513 78 G HA2 0.690 4.650 3.960 0.000 0.000 0.317 78 G HA3 0.690 4.650 3.960 0.000 0.000 0.317 78 G C -1.162 173.664 174.900 -0.123 0.000 1.277 78 G CA -0.833 44.132 45.100 -0.225 0.000 0.955 78 G HN 1.107 nan 8.290 nan 0.000 0.484 79 M N 2.954 122.519 119.600 -0.059 0.000 2.393 79 M HA 0.640 5.121 4.480 0.000 0.000 0.299 79 M C -1.034 175.260 176.300 -0.009 0.000 1.103 79 M CA -0.597 54.685 55.300 -0.030 0.000 0.910 79 M CB 2.137 34.714 32.600 -0.038 0.000 1.659 79 M HN 0.321 nan 8.290 nan 0.000 0.445 86 L N -0.179 120.897 121.223 -0.245 0.000 5.191 86 L HA 0.100 4.440 4.340 0.000 0.000 0.247 86 L C -1.575 175.157 176.870 -0.230 0.000 1.137 86 L CA -0.789 53.952 54.840 -0.165 0.000 1.068 86 L CB 0.330 42.351 42.059 -0.063 0.000 1.770 86 L HN 0.845 nan 8.230 nan 0.000 0.486 87 Y N 3.463 123.764 120.300 0.002 0.000 2.904 87 Y HA -0.061 4.489 4.550 0.001 0.000 0.336 87 Y C -1.388 174.426 175.900 -0.142 0.000 1.263 87 Y CA -1.006 57.047 58.100 -0.077 0.000 1.547 87 Y CB -0.179 38.159 38.460 -0.203 0.000 1.272 87 Y HN 0.406 nan 8.280 nan 0.000 0.596 88 P HA -0.197 nan 4.420 nan 0.000 0.218 88 P C 1.058 178.409 177.300 0.086 0.000 1.149 88 P CA 2.077 65.236 63.100 0.098 0.000 0.817 88 P CB 0.061 31.849 31.700 0.147 0.000 0.785 89 H N -2.633 116.490 119.070 0.088 0.000 2.547 89 H HA 0.149 4.705 4.556 0.000 0.000 0.272 89 H C 0.694 176.040 175.328 0.031 0.000 0.971 89 H CA 0.002 56.080 56.048 0.049 0.000 1.245 89 H CB -0.794 28.993 29.762 0.042 0.000 1.440 89 H HN 0.046 nan 8.280 nan 0.000 0.540 90 L N 1.733 122.651 121.223 -0.509 0.000 2.436 90 L HA 0.185 4.526 4.340 0.000 0.000 0.265 90 L C 0.804 177.586 176.870 -0.146 0.000 1.168 90 L CA 0.184 54.839 54.840 -0.309 0.000 0.815 90 L CB 1.502 43.350 42.059 -0.352 0.000 1.109 90 L HN 0.122 nan 8.230 nan 0.000 0.462 91 S N 0.258 115.886 115.700 -0.120 0.000 2.646 91 S HA 0.317 4.788 4.470 0.000 0.000 0.276 91 S C 1.364 175.912 174.600 -0.087 0.000 1.222 91 S CA -0.774 57.377 58.200 -0.082 0.000 1.014 91 S CB 1.196 64.355 63.200 -0.068 0.000 0.991 91 S HN 0.383 nan 8.310 nan 0.000 0.533 92 V N 3.846 123.720 119.914 -0.067 0.000 2.277 92 V HA -0.306 3.814 4.120 0.000 0.000 0.253 92 V C 2.591 178.642 176.094 -0.070 0.000 1.067 92 V CA 2.616 64.879 62.300 -0.062 0.000 1.047 92 V CB -1.556 30.230 31.823 -0.062 0.000 0.649 92 V HN 0.941 nan 8.190 nan 0.000 0.447 93 A N -0.224 122.552 122.820 -0.073 0.000 1.834 93 A HA -0.295 4.025 4.320 0.000 0.000 0.216 93 A C 2.152 179.667 177.584 -0.115 0.000 1.203 93 A CA 2.174 54.165 52.037 -0.076 0.000 0.621 93 A CB -0.753 18.208 19.000 -0.065 0.000 0.841 93 A HN 0.634 nan 8.150 nan 0.000 0.446 94 E N -0.424 119.687 120.200 -0.149 0.000 2.097 94 E HA -0.216 4.134 4.350 0.000 0.000 0.196 94 E C 1.940 178.331 176.600 -0.348 0.000 1.000 94 E CA 1.127 57.377 56.400 -0.250 0.000 0.804 94 E CB -0.239 29.316 29.700 -0.242 0.000 0.740 94 E HN 0.551 nan 8.360 nan 0.000 0.454 95 N N 0.241 118.811 118.700 -0.217 0.000 2.309 95 N HA -0.080 4.660 4.740 0.000 0.000 0.182 95 N C 1.487 176.950 175.510 -0.079 0.000 1.018 95 N CA 0.921 53.891 53.050 -0.132 0.000 0.876 95 N CB 0.083 38.546 38.487 -0.040 0.000 0.972 95 N HN 0.227 nan 8.380 nan 0.000 0.434 96 M N -0.162 119.388 119.600 -0.083 0.000 2.541 96 M HA 0.030 4.511 4.480 0.000 0.000 0.252 96 M C 0.157 176.437 176.300 -0.032 0.000 1.125 96 M CA 0.194 55.476 55.300 -0.031 0.000 1.091 96 M CB 0.322 32.907 32.600 -0.024 0.000 1.420 96 M HN -0.063 nan 8.290 nan 0.000 0.486 97 S N -0.824 114.805 115.700 -0.119 0.000 2.638 97 S HA 0.711 5.181 4.470 0.000 0.000 0.298 97 S C -0.343 174.194 174.600 -0.105 0.000 1.111 97 S CA -0.783 57.362 58.200 -0.092 0.000 1.027 97 S CB 2.421 65.551 63.200 -0.116 0.000 1.064 97 S HN 0.230 nan 8.310 nan 0.000 0.525 98 F N -0.160 119.792 119.950 0.003 0.000 1.854 98 F HA 0.234 4.761 4.527 0.000 0.000 0.244 98 F C 0.972 176.771 175.800 -0.002 0.000 1.285 98 F CA 0.539 58.539 58.000 -0.000 0.000 1.176 98 F CB -0.983 38.028 39.000 0.018 0.000 2.126 98 F HN 1.061 nan 8.300 nan 0.000 0.101 99 G N 3.602 112.532 108.800 0.217 0.000 2.844 99 G HA2 -0.037 3.923 3.960 0.000 0.000 0.339 99 G HA3 -0.037 3.923 3.960 0.000 0.000 0.339 99 G C 0.536 175.467 174.900 0.052 0.000 0.156 99 G CA 0.601 45.749 45.100 0.079 0.000 1.236 99 G HN 1.142 nan 8.290 nan 0.000 0.456 100 L N -0.387 120.836 121.223 0.001 0.000 4.040 100 L HA -0.227 4.113 4.340 0.000 0.000 0.410 100 L C 0.789 177.671 176.870 0.019 0.000 1.187 100 L CA 1.025 55.862 54.840 -0.004 0.000 0.956 100 L CB -1.526 40.536 42.059 0.005 0.000 2.022 100 L HN 1.242 nan 8.230 nan 0.000 0.897 101 K N 0.409 120.830 120.400 0.035 0.000 6.692 101 K HA -0.123 4.197 4.320 0.000 0.000 0.775 101 K C 0.515 177.224 176.600 0.181 0.000 2.128 101 K CA 0.997 57.364 56.287 0.133 0.000 1.684 101 K CB -0.716 31.818 32.500 0.057 0.000 1.997 101 K HN 0.375 nan 8.250 nan 0.000 0.306 102 L N 1.596 122.990 121.223 0.284 0.000 3.678 102 L HA -0.313 4.028 4.340 0.000 0.000 0.425 102 L C 0.966 177.882 176.870 0.076 0.000 1.240 102 L CA 0.993 55.904 54.840 0.119 0.000 0.876 102 L CB -2.125 39.977 42.059 0.072 0.000 1.766 102 L HN 1.481 nan 8.230 nan 0.000 0.917 103 A N -1.981 120.892 122.820 0.088 0.000 2.860 103 A HA -0.017 4.303 4.320 0.000 0.000 0.267 103 A C 1.993 179.598 177.584 0.036 0.000 1.421 103 A CA 1.662 53.731 52.037 0.052 0.000 0.831 103 A CB -1.851 17.169 19.000 0.034 0.000 1.041 103 A HN 2.201 nan 8.150 nan 0.000 0.623 104 G N -2.491 106.333 108.800 0.040 0.000 2.530 104 G HA2 0.179 4.139 3.960 0.000 0.000 0.247 104 G HA3 0.179 4.139 3.960 0.000 0.000 0.247 104 G C 0.609 175.520 174.900 0.019 0.000 1.067 104 G CA 2.007 47.121 45.100 0.024 0.000 0.650 104 G HN 3.079 nan 8.290 nan 0.000 0.531 105 A N -2.130 120.701 122.820 0.019 0.000 2.645 105 A HA 0.689 5.009 4.320 0.000 0.000 0.291 105 A C 0.208 177.800 177.584 0.012 0.000 1.030 105 A CA 0.721 52.766 52.037 0.014 0.000 0.566 105 A CB -0.609 18.397 19.000 0.009 0.000 1.527 105 A HN 1.526 nan 8.150 nan 0.000 0.684 106 K N -0.257 120.147 120.400 0.008 0.000 3.372 106 K HA -0.154 4.166 4.320 0.000 0.000 0.272 106 K C 0.560 177.163 176.600 0.005 0.000 1.037 106 K CA 1.036 57.327 56.287 0.006 0.000 0.777 106 K CB -1.422 31.082 32.500 0.006 0.000 1.347 106 K HN 0.788 nan 8.250 nan 0.000 0.460 107 K N 0.268 120.671 120.400 0.004 0.000 2.585 107 K HA -0.181 4.140 4.320 0.000 0.000 0.194 107 K C 1.160 177.760 176.600 -0.001 0.000 1.037 107 K CA 1.702 57.989 56.287 0.001 0.000 0.964 107 K CB 0.044 32.543 32.500 -0.001 0.000 0.787 107 K HN 0.710 nan 8.250 nan 0.000 0.488 108 E N 0.911 121.111 120.200 0.001 0.000 2.079 108 E HA -0.070 4.281 4.350 0.000 0.000 0.191 108 E C 1.941 178.542 176.600 0.002 0.000 0.961 108 E CA 0.248 56.648 56.400 0.001 0.000 0.823 108 E CB -0.429 29.272 29.700 0.002 0.000 0.789 108 E HN 0.045 nan 8.360 nan 0.000 0.459 109 V N 1.827 121.743 119.914 0.003 0.000 2.237 109 V HA -0.260 3.861 4.120 0.000 0.000 0.245 109 V C 2.559 178.656 176.094 0.005 0.000 1.046 109 V CA 1.801 64.104 62.300 0.005 0.000 1.007 109 V CB -0.569 31.258 31.823 0.006 0.000 0.638 109 V HN 0.249 nan 8.190 nan 0.000 0.445 110 I N 0.986 121.559 120.570 0.005 0.000 2.290 110 I HA -0.347 3.823 4.170 0.000 0.000 0.253 110 I C 2.002 178.118 176.117 -0.003 0.000 1.112 110 I CA 2.149 63.450 61.300 0.003 0.000 1.377 110 I CB -0.611 37.390 38.000 0.001 0.000 1.060 110 I HN 0.448 nan 8.210 nan 0.000 0.428 111 N N -0.629 118.069 118.700 -0.004 0.000 2.109 111 N HA -0.240 4.500 4.740 0.000 0.000 0.188 111 N C 1.822 177.332 175.510 -0.001 0.000 1.034 111 N CA 1.045 54.092 53.050 -0.005 0.000 0.846 111 N CB -0.291 38.193 38.487 -0.005 0.000 1.010 111 N HN 0.355 nan 8.380 nan 0.000 0.425 112 Q N 1.698 121.500 119.800 0.002 0.000 2.096 112 Q HA -0.162 4.178 4.340 0.000 0.000 0.208 112 Q C 1.878 177.883 176.000 0.008 0.000 0.993 112 Q CA 1.696 57.502 55.803 0.006 0.000 0.862 112 Q CB 0.004 28.746 28.738 0.006 0.000 0.915 112 Q HN 0.185 nan 8.270 nan 0.000 0.416 113 R N -0.354 120.152 120.500 0.009 0.000 2.080 113 R HA -0.100 4.241 4.340 0.000 0.000 0.236 113 R C 2.357 178.665 176.300 0.012 0.000 1.137 113 R CA 1.508 57.616 56.100 0.014 0.000 0.943 113 R CB -1.640 28.669 30.300 0.015 0.000 0.846 113 R HN 0.379 nan 8.270 nan 0.000 0.431 114 V N 1.917 121.834 119.914 0.005 0.000 2.759 114 V HA -0.207 3.913 4.120 0.000 0.000 0.256 114 V C 1.450 177.545 176.094 0.001 0.000 1.080 114 V CA 1.648 63.947 62.300 -0.001 0.000 1.101 114 V CB -0.396 31.418 31.823 -0.015 0.000 0.698 114 V HN 0.365 nan 8.190 nan 0.000 0.477 115 N N -0.595 118.107 118.700 0.004 0.000 2.083 115 N HA -0.170 4.570 4.740 0.000 0.000 0.190 115 N C 1.812 177.329 175.510 0.012 0.000 1.047 115 N CA 1.496 54.550 53.050 0.007 0.000 0.845 115 N CB -0.230 38.261 38.487 0.007 0.000 1.025 115 N HN 0.541 nan 8.380 nan 0.000 0.428 116 Q N 0.785 120.593 119.800 0.014 0.000 2.029 116 Q HA -0.197 4.143 4.340 0.000 0.000 0.209 116 Q C 2.481 178.493 176.000 0.020 0.000 0.999 116 Q CA 2.306 58.119 55.803 0.017 0.000 0.857 116 Q CB -0.611 28.138 28.738 0.019 0.000 0.926 116 Q HN 0.421 nan 8.270 nan 0.000 0.415 117 V N -1.366 118.561 119.914 0.022 0.000 2.469 117 V HA -0.236 3.884 4.120 0.000 0.000 0.251 117 V C 2.224 178.329 176.094 0.019 0.000 1.064 117 V CA 1.688 64.004 62.300 0.026 0.000 1.066 117 V CB -1.439 30.403 31.823 0.032 0.000 0.667 117 V HN 0.359 nan 8.190 nan 0.000 0.461 118 A N 0.657 123.485 122.820 0.014 0.000 1.869 118 A HA -0.258 4.062 4.320 0.000 0.000 0.218 118 A C 2.196 179.793 177.584 0.020 0.000 1.203 118 A CA 2.308 54.351 52.037 0.010 0.000 0.638 118 A CB -0.776 18.230 19.000 0.010 0.000 0.831 118 A HN 0.611 nan 8.150 nan 0.000 0.450 119 E N -0.268 119.947 120.200 0.025 0.000 2.033 119 E HA -0.165 4.185 4.350 0.000 0.000 0.199 119 E C 2.188 178.804 176.600 0.026 0.000 1.011 119 E CA 1.250 57.668 56.400 0.030 0.000 0.815 119 E CB -1.279 28.436 29.700 0.024 0.000 0.755 119 E HN 0.318 nan 8.360 nan 0.000 0.451 120 V N 1.599 121.525 119.914 0.021 0.000 2.233 120 V HA -0.296 3.825 4.120 0.000 0.000 0.256 120 V C 2.310 178.415 176.094 0.018 0.000 1.069 120 V CA 2.222 64.532 62.300 0.018 0.000 1.054 120 V CB -0.553 31.282 31.823 0.020 0.000 0.664 120 V HN 0.265 nan 8.190 nan 0.000 0.453 121 L N -0.528 120.706 121.223 0.018 0.000 2.627 121 L HA 0.109 4.449 4.340 0.000 0.000 0.232 121 L C 1.088 177.970 176.870 0.019 0.000 1.150 121 L CA 0.401 55.251 54.840 0.017 0.000 0.917 121 L CB -0.546 41.521 42.059 0.014 0.000 1.104 121 L HN 0.542 nan 8.230 nan 0.000 0.445 122 Q N -2.068 117.750 119.800 0.029 0.000 2.506 122 Q HA -0.234 4.106 4.340 0.000 0.000 0.268 122 Q C 0.543 176.572 176.000 0.048 0.000 1.002 122 Q CA 0.216 56.049 55.803 0.049 0.000 1.052 122 Q CB -1.224 27.542 28.738 0.047 0.000 1.383 122 Q HN 0.342 nan 8.270 nan 0.000 0.537 123 L N -0.954 120.276 121.223 0.012 0.000 2.185 123 L HA 0.367 4.707 4.340 0.000 0.000 0.202 123 L C 1.795 178.645 176.870 -0.034 0.000 1.234 123 L CA 2.367 57.171 54.840 -0.060 0.000 1.175 123 L CB -0.907 41.118 42.059 -0.057 0.000 1.136 123 L HN 0.383 nan 8.230 nan 0.000 0.643 124 A N -1.057 121.761 122.820 -0.003 0.000 4.159 124 A HA -0.270 4.050 4.320 0.000 0.000 0.263 124 A C 0.984 178.631 177.584 0.105 0.000 0.889 124 A CA 1.801 53.882 52.037 0.073 0.000 1.227 124 A CB -2.205 16.881 19.000 0.143 0.000 1.051 124 A HN 0.932 nan 8.150 nan 0.000 0.820 125 H N -3.933 115.135 119.070 -0.003 0.000 3.749 125 H HA 0.337 4.893 4.556 0.000 0.000 0.266 125 H C 0.735 176.060 175.328 -0.004 0.000 1.123 125 H CA 0.458 56.504 56.048 -0.003 0.000 1.189 125 H CB -0.839 28.922 29.762 -0.002 0.000 1.731 125 H HN 0.471 nan 8.280 nan 0.000 0.863 126 L N 1.030 122.030 121.223 -0.371 0.000 2.766 126 L HA 0.186 4.527 4.340 0.000 0.000 0.242 126 L C 1.316 178.104 176.870 -0.136 0.000 1.136 126 L CA -0.081 54.582 54.840 -0.294 0.000 0.933 126 L CB 0.304 42.164 42.059 -0.331 0.000 1.241 126 L HN -0.029 nan 8.230 nan 0.000 0.522 127 L N 0.170 121.337 121.223 -0.093 0.000 2.261 127 L HA -0.183 4.157 4.340 0.000 0.000 0.216 127 L C 1.374 178.212 176.870 -0.053 0.000 1.114 127 L CA 1.606 56.409 54.840 -0.061 0.000 0.777 127 L CB -0.448 41.587 42.059 -0.041 0.000 0.910 127 L HN 0.167 nan 8.230 nan 0.000 0.440 128 D N -1.427 118.947 120.400 -0.045 0.000 2.340 128 D HA 0.060 4.700 4.640 0.000 0.000 0.217 128 D C 0.688 176.969 176.300 -0.033 0.000 1.081 128 D CA 0.137 54.118 54.000 -0.032 0.000 0.842 128 D CB 0.269 41.060 40.800 -0.015 0.000 0.934 128 D HN 0.061 nan 8.370 nan 0.000 0.511 129 R N 0.701 121.173 120.500 -0.047 0.000 2.528 129 R HA 0.411 4.751 4.340 0.000 0.000 0.271 129 R C 0.254 176.532 176.300 -0.037 0.000 1.056 129 R CA -0.247 55.829 56.100 -0.041 0.000 1.117 129 R CB 1.257 31.523 30.300 -0.057 0.000 1.085 129 R HN -0.078 nan 8.270 nan 0.000 0.530 130 K N 2.444 122.829 120.400 -0.024 0.000 2.221 130 K HA 0.270 4.590 4.320 0.000 0.000 0.258 130 K C -1.993 174.597 176.600 -0.016 0.000 0.944 130 K CA -1.849 54.426 56.287 -0.021 0.000 0.823 130 K CB 1.829 34.326 32.500 -0.005 0.000 1.113 130 K HN 0.256 nan 8.250 nan 0.000 0.431 131 P HA -0.132 nan 4.420 nan 0.000 0.207 131 P C -0.236 177.061 177.300 -0.004 0.000 1.333 131 P CA 0.980 64.072 63.100 -0.014 0.000 0.881 131 P CB 0.148 31.838 31.700 -0.018 0.000 1.634 132 K N -0.615 119.783 120.400 -0.002 0.000 2.591 132 K HA 0.287 4.607 4.320 0.000 0.000 0.207 132 K C 1.363 177.964 176.600 0.002 0.000 1.711 132 K CA 0.562 56.851 56.287 0.004 0.000 1.059 132 K CB -0.221 32.286 32.500 0.013 0.000 1.449 132 K HN -0.033 nan 8.250 nan 0.000 0.605 133 A N 0.986 123.804 122.820 -0.003 0.000 2.348 133 A HA 0.411 4.731 4.320 0.000 0.000 0.224 133 A C 0.206 177.785 177.584 -0.009 0.000 1.227 133 A CA -0.265 51.770 52.037 -0.004 0.000 0.885 133 A CB -0.109 18.888 19.000 -0.005 0.000 0.933 133 A HN 0.137 nan 8.150 nan 0.000 0.506 134 L N 0.646 121.862 121.223 -0.013 0.000 2.468 134 L HA 0.355 4.696 4.340 0.000 0.000 0.254 134 L C 0.837 177.702 176.870 -0.008 0.000 1.171 134 L CA -0.414 54.416 54.840 -0.017 0.000 0.809 134 L CB 1.212 43.258 42.059 -0.021 0.000 1.155 134 L HN 0.343 nan 8.230 nan 0.000 0.473 135 S N -0.955 114.741 115.700 -0.007 0.000 2.549 135 S HA 0.361 4.831 4.470 0.000 0.000 0.297 135 S C 0.973 175.573 174.600 -0.001 0.000 1.115 135 S CA -0.278 57.922 58.200 -0.001 0.000 1.059 135 S CB 1.565 64.766 63.200 0.003 0.000 1.046 135 S HN 0.800 nan 8.310 nan 0.000 0.506 136 G N 2.048 110.850 108.800 0.002 0.000 2.597 136 G HA2 -0.212 3.748 3.960 0.000 0.000 0.222 136 G HA3 -0.212 3.748 3.960 0.000 0.000 0.222 136 G C 1.235 176.138 174.900 0.005 0.000 1.135 136 G CA 1.085 46.188 45.100 0.004 0.000 0.759 136 G HN 1.088 nan 8.290 nan 0.000 0.595 137 G N 0.116 108.920 108.800 0.006 0.000 2.484 137 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 137 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 137 G C 1.771 176.674 174.900 0.005 0.000 1.219 137 G CA 1.220 46.325 45.100 0.009 0.000 0.791 137 G HN 0.523 nan 8.290 nan 0.000 0.550 138 Q N -0.205 119.594 119.800 -0.001 0.000 2.062 138 Q HA -0.198 4.143 4.340 0.000 0.000 0.209 138 Q C 2.638 178.631 176.000 -0.010 0.000 0.996 138 Q CA 1.683 57.479 55.803 -0.010 0.000 0.859 138 Q CB -0.232 28.492 28.738 -0.022 0.000 0.920 138 Q HN 0.279 nan 8.270 nan 0.000 0.415 139 R N 0.812 121.307 120.500 -0.009 0.000 2.196 139 R HA -0.305 4.035 4.340 0.000 0.000 0.234 139 R C 2.253 178.550 176.300 -0.005 0.000 1.113 139 R CA 2.352 58.446 56.100 -0.010 0.000 0.899 139 R CB -0.726 29.570 30.300 -0.007 0.000 0.863 139 R HN 0.240 nan 8.270 nan 0.000 0.430 140 Q N 0.206 120.007 119.800 0.002 0.000 2.173 140 Q HA -0.203 4.137 4.340 0.000 0.000 0.208 140 Q C 1.905 177.914 176.000 0.014 0.000 0.989 140 Q CA 2.168 57.977 55.803 0.010 0.000 0.872 140 Q CB -0.173 28.576 28.738 0.018 0.000 0.909 140 Q HN 0.377 nan 8.270 nan 0.000 0.420 141 R N -0.882 119.625 120.500 0.012 0.000 2.092 141 R HA -0.043 4.298 4.340 0.000 0.000 0.231 141 R C 2.318 178.625 176.300 0.010 0.000 1.119 141 R CA 1.347 57.455 56.100 0.013 0.000 0.970 141 R CB -0.426 29.880 30.300 0.008 0.000 0.864 141 R HN 0.196 nan 8.270 nan 0.000 0.440 142 V N 1.446 121.360 119.914 -0.000 0.000 2.295 142 V HA -0.253 3.868 4.120 0.000 0.000 0.246 142 V C 2.587 178.686 176.094 0.009 0.000 1.049 142 V CA 1.995 64.292 62.300 -0.004 0.000 1.024 142 V CB -0.824 30.989 31.823 -0.017 0.000 0.648 142 V HN 0.366 nan 8.190 nan 0.000 0.447 143 A N 0.181 123.006 122.820 0.009 0.000 1.883 143 A HA -0.185 4.135 4.320 0.000 0.000 0.217 143 A C 2.159 179.764 177.584 0.035 0.000 1.186 143 A CA 1.916 53.962 52.037 0.016 0.000 0.624 143 A CB -0.542 18.460 19.000 0.004 0.000 0.822 143 A HN 0.396 nan 8.150 nan 0.000 0.444 144 I N 0.051 120.645 120.570 0.039 0.000 2.361 144 I HA -0.177 3.994 4.170 0.000 0.000 0.251 144 I C 2.622 178.784 176.117 0.075 0.000 1.133 144 I CA 1.330 62.668 61.300 0.064 0.000 1.413 144 I CB -1.941 36.089 38.000 0.050 0.000 1.073 144 I HN 0.368 nan 8.210 nan 0.000 0.424 145 G N 0.746 109.576 108.800 0.049 0.000 2.459 145 G HA2 -0.307 3.653 3.960 0.000 0.000 0.217 145 G HA3 -0.307 3.653 3.960 0.000 0.000 0.217 145 G C 1.878 176.812 174.900 0.057 0.000 1.183 145 G CA 0.925 46.053 45.100 0.047 0.000 0.776 145 G HN 0.285 nan 8.290 nan 0.000 0.552 146 R N 0.285 120.815 120.500 0.049 0.000 2.103 146 R HA -0.170 4.170 4.340 0.000 0.000 0.234 146 R C 2.987 179.328 176.300 0.068 0.000 1.132 146 R CA 2.716 58.850 56.100 0.057 0.000 0.925 146 R CB -0.978 29.362 30.300 0.068 0.000 0.842 146 R HN 0.470 nan 8.270 nan 0.000 0.430 147 T N -0.075 114.524 114.554 0.075 0.000 2.822 147 T HA -0.194 4.156 4.350 0.000 0.000 0.270 147 T C 1.857 176.608 174.700 0.085 0.000 1.064 147 T CA 1.350 63.489 62.100 0.064 0.000 1.131 147 T CB -0.384 68.530 68.868 0.076 0.000 0.858 147 T HN 0.287 nan 8.240 nan 0.000 0.483 148 L N 1.407 122.730 121.223 0.165 0.000 2.027 148 L HA 0.105 4.445 4.340 0.000 0.000 0.206 148 L C 2.614 179.560 176.870 0.127 0.000 1.074 148 L CA 1.239 56.229 54.840 0.250 0.000 0.745 148 L CB -1.010 41.175 42.059 0.209 0.000 0.898 148 L HN 0.155 nan 8.230 nan 0.000 0.433 149 V N 0.931 120.893 119.914 0.081 0.000 2.250 149 V HA -0.408 3.713 4.120 0.000 0.000 0.253 149 V C 2.650 178.763 176.094 0.031 0.000 1.065 149 V CA 2.019 64.349 62.300 0.050 0.000 1.039 149 V CB -1.581 30.265 31.823 0.038 0.000 0.647 149 V HN 0.662 nan 8.190 nan 0.000 0.446 150 A N -1.165 121.664 122.820 0.015 0.000 2.292 150 A HA -0.136 4.184 4.320 0.000 0.000 0.209 150 A C 0.920 178.482 177.584 -0.036 0.000 1.209 150 A CA 0.812 52.843 52.037 -0.011 0.000 0.746 150 A CB -0.916 18.070 19.000 -0.023 0.000 0.764 150 A HN 0.757 nan 8.150 nan 0.000 0.492 151 E N -0.768 119.421 120.200 -0.018 0.000 2.149 151 E HA -0.192 4.158 4.350 0.000 0.000 0.191 151 E C -1.619 174.928 176.600 -0.088 0.000 1.384 151 E CA 0.291 56.680 56.400 -0.019 0.000 0.698 151 E CB -1.241 28.461 29.700 0.005 0.000 1.086 151 E HN 0.723 nan 8.360 nan 0.000 0.338 152 P HA 0.090 nan 4.420 nan 0.000 0.327 152 P C 0.380 177.544 177.300 -0.227 0.000 1.342 152 P CA -0.092 62.840 63.100 -0.280 0.000 0.761 152 P CB 0.508 31.921 31.700 -0.477 0.000 1.675 153 S N -2.375 113.181 115.700 -0.240 0.000 2.691 153 S HA 0.212 4.683 4.470 0.000 0.000 0.258 153 S C 0.170 174.733 174.600 -0.062 0.000 1.078 153 S CA -0.189 57.955 58.200 -0.094 0.000 1.000 153 S CB 0.537 63.701 63.200 -0.059 0.000 0.942 153 S HN 0.197 nan 8.310 nan 0.000 0.521 154 V N 3.220 123.021 119.914 -0.187 0.000 2.623 154 V HA 0.547 4.667 4.120 0.000 0.000 0.304 154 V C -1.553 174.413 176.094 -0.214 0.000 1.054 154 V CA -0.749 61.508 62.300 -0.072 0.000 0.882 154 V CB 1.409 33.209 31.823 -0.038 0.000 1.002 154 V HN 0.251 nan 8.190 nan 0.000 0.424 155 F N 4.799 124.695 119.950 -0.090 0.000 2.397 155 F HA 0.721 5.249 4.527 0.000 0.000 0.331 155 F C -0.149 175.573 175.800 -0.131 0.000 1.090 155 F CA -1.177 56.764 58.000 -0.099 0.000 1.065 155 F CB 1.397 40.333 39.000 -0.107 0.000 1.184 155 F HN 0.168 nan 8.300 nan 0.000 0.499 156 L N 4.414 125.660 121.223 0.039 0.000 2.433 156 L HA 0.367 4.708 4.340 0.000 0.000 0.256 156 L C -1.057 175.770 176.870 -0.072 0.000 1.063 156 L CA -0.268 54.541 54.840 -0.051 0.000 0.922 156 L CB 0.611 42.633 42.059 -0.062 0.000 1.238 156 L HN 0.360 nan 8.230 nan 0.000 0.466 157 L N 2.436 123.588 121.223 -0.117 0.000 2.268 157 L HA 0.370 4.710 4.340 0.000 0.000 0.289 157 L C 0.380 177.047 176.870 -0.339 0.000 1.064 157 L CA 0.182 54.901 54.840 -0.202 0.000 0.824 157 L CB 0.458 42.389 42.059 -0.213 0.000 1.202 157 L HN 0.297 nan 8.230 nan 0.000 0.433 158 D N 4.903 125.165 120.400 -0.230 0.000 2.428 158 D HA 0.083 4.723 4.640 0.000 0.000 0.221 158 D C 0.066 176.242 176.300 -0.207 0.000 1.123 158 D CA -0.124 53.757 54.000 -0.198 0.000 0.869 158 D CB 0.556 41.300 40.800 -0.094 0.000 1.032 158 D HN 0.535 nan 8.370 nan 0.000 0.506 159 E N 2.641 122.669 120.200 -0.288 0.000 2.199 159 E HA -0.190 4.160 4.350 0.000 0.000 0.208 159 E C -1.514 174.995 176.600 -0.151 0.000 1.310 159 E CA 0.035 56.312 56.400 -0.204 0.000 0.709 159 E CB -0.638 29.023 29.700 -0.066 0.000 1.127 159 E HN 0.569 nan 8.360 nan 0.000 0.354 160 P HA -0.170 nan 4.420 nan 0.000 0.218 160 P C 1.294 178.586 177.300 -0.013 0.000 1.148 160 P CA 1.139 64.186 63.100 -0.089 0.000 0.822 160 P CB 0.062 31.712 31.700 -0.083 0.000 0.784 161 L N -0.731 120.504 121.223 0.019 0.000 2.591 161 L HA 0.128 4.468 4.340 0.000 0.000 0.228 161 L C 2.675 179.563 176.870 0.029 0.000 1.133 161 L CA 0.209 55.074 54.840 0.042 0.000 0.880 161 L CB -0.810 41.296 42.059 0.079 0.000 1.033 161 L HN -0.004 nan 8.230 nan 0.000 0.450 162 S N 1.455 117.166 115.700 0.019 0.000 2.387 162 S HA -0.214 4.257 4.470 0.000 0.000 0.230 162 S C 1.386 176.011 174.600 0.041 0.000 1.035 162 S CA 1.843 60.069 58.200 0.042 0.000 1.014 162 S CB -0.313 62.916 63.200 0.049 0.000 0.836 162 S HN 0.650 nan 8.310 nan 0.000 0.466 163 N N 0.422 119.137 118.700 0.026 0.000 2.314 163 N HA 0.253 4.993 4.740 0.000 0.000 0.200 163 N C -0.482 175.039 175.510 0.019 0.000 1.135 163 N CA -0.153 52.909 53.050 0.021 0.000 0.835 163 N CB 0.221 38.714 38.487 0.011 0.000 0.989 163 N HN 0.368 nan 8.380 nan 0.000 0.478 164 L N 0.003 121.240 121.223 0.022 0.000 2.332 164 L HA 0.420 4.760 4.340 0.000 0.000 0.269 164 L C -0.054 176.828 176.870 0.019 0.000 1.016 164 L CA -1.194 53.657 54.840 0.019 0.000 0.809 164 L CB 0.838 42.908 42.059 0.020 0.000 1.280 164 L HN -0.050 nan 8.230 nan 0.000 0.447 165 D N 0.320 120.729 120.400 0.014 0.000 2.362 165 D HA 0.174 4.814 4.640 0.000 0.000 0.242 165 D C 0.850 177.156 176.300 0.011 0.000 1.132 165 D CA 0.038 54.045 54.000 0.012 0.000 0.907 165 D CB 1.586 42.391 40.800 0.008 0.000 1.195 165 D HN 0.656 nan 8.370 nan 0.000 0.429 166 A N 1.991 124.817 122.820 0.009 0.000 1.903 166 A HA -0.250 4.070 4.320 0.000 0.000 0.219 166 A C 2.058 179.643 177.584 0.001 0.000 1.191 166 A CA 2.769 54.810 52.037 0.006 0.000 0.638 166 A CB -0.866 18.136 19.000 0.002 0.000 0.823 166 A HN 0.642 nan 8.150 nan 0.000 0.451 167 A N -0.849 121.971 122.820 0.000 0.000 1.883 167 A HA -0.068 4.252 4.320 0.000 0.000 0.217 167 A C 2.145 179.729 177.584 0.000 0.000 1.186 167 A CA 1.708 53.744 52.037 -0.002 0.000 0.624 167 A CB -0.509 18.490 19.000 -0.002 0.000 0.822 167 A HN 0.428 nan 8.150 nan 0.000 0.444 168 L N -0.692 120.534 121.223 0.004 0.000 2.027 168 L HA -0.103 4.238 4.340 0.000 0.000 0.206 168 L C 2.594 179.470 176.870 0.010 0.000 1.074 168 L CA 1.936 56.780 54.840 0.007 0.000 0.745 168 L CB -1.155 40.910 42.059 0.010 0.000 0.898 168 L HN 0.508 nan 8.230 nan 0.000 0.433 169 R N -0.654 119.853 120.500 0.012 0.000 2.119 169 R HA -0.184 4.156 4.340 0.000 0.000 0.246 169 R C 2.186 178.490 176.300 0.006 0.000 1.146 169 R CA 1.727 57.836 56.100 0.016 0.000 0.962 169 R CB -0.070 30.240 30.300 0.016 0.000 0.863 169 R HN 0.197 nan 8.270 nan 0.000 0.442 170 V N 0.665 120.577 119.914 -0.003 0.000 2.307 170 V HA -0.251 3.869 4.120 0.000 0.000 0.245 170 V C 2.281 178.366 176.094 -0.015 0.000 1.045 170 V CA 1.847 64.138 62.300 -0.015 0.000 1.024 170 V CB -0.430 31.382 31.823 -0.017 0.000 0.651 170 V HN 0.437 nan 8.190 nan 0.000 0.449 171 Q N -1.433 118.363 119.800 -0.007 0.000 2.119 171 Q HA -0.209 4.131 4.340 0.000 0.000 0.201 171 Q C 2.206 178.206 176.000 -0.000 0.000 0.972 171 Q CA 1.577 57.377 55.803 -0.005 0.000 0.847 171 Q CB -0.234 28.504 28.738 -0.000 0.000 0.903 171 Q HN 0.452 nan 8.270 nan 0.000 0.433 172 M N 0.474 120.079 119.600 0.008 0.000 2.159 172 M HA -0.151 4.330 4.480 0.000 0.000 0.263 172 M C 1.708 178.017 176.300 0.016 0.000 1.063 172 M CA 1.651 56.964 55.300 0.021 0.000 1.110 172 M CB -0.034 32.587 32.600 0.035 0.000 1.374 172 M HN 0.000 nan 8.290 nan 0.000 0.411 173 R N -0.537 119.961 120.500 -0.005 0.000 2.080 173 R HA -0.143 4.197 4.340 0.000 0.000 0.236 173 R C 2.025 178.295 176.300 -0.051 0.000 1.137 173 R CA 1.627 57.701 56.100 -0.044 0.000 0.943 173 R CB -0.710 29.546 30.300 -0.073 0.000 0.846 173 R HN 0.308 nan 8.270 nan 0.000 0.431 174 I N 1.150 121.697 120.570 -0.039 0.000 2.208 174 I HA -0.229 3.941 4.170 0.000 0.000 0.245 174 I C 2.140 178.249 176.117 -0.013 0.000 1.097 174 I CA 1.484 62.764 61.300 -0.033 0.000 1.363 174 I CB -0.997 36.987 38.000 -0.026 0.000 1.051 174 I HN 0.135 nan 8.210 nan 0.000 0.413 175 E N 0.933 121.133 120.200 -0.000 0.000 2.051 175 E HA -0.147 4.203 4.350 0.000 0.000 0.192 175 E C 2.201 178.818 176.600 0.028 0.000 0.991 175 E CA 0.972 57.380 56.400 0.014 0.000 0.799 175 E CB -0.222 29.489 29.700 0.018 0.000 0.748 175 E HN 0.273 nan 8.360 nan 0.000 0.449 176 I N 0.406 120.998 120.570 0.036 0.000 2.361 176 I HA -0.176 3.994 4.170 0.000 0.000 0.251 176 I C 2.095 178.271 176.117 0.098 0.000 1.133 176 I CA 0.995 62.340 61.300 0.075 0.000 1.413 176 I CB -1.105 36.956 38.000 0.101 0.000 1.073 176 I HN -0.003 nan 8.210 nan 0.000 0.424 177 S N 0.677 116.394 115.700 0.029 0.000 2.345 177 S HA -0.116 4.354 4.470 0.000 0.000 0.220 177 S C 2.096 176.745 174.600 0.081 0.000 1.031 177 S CA 1.061 59.277 58.200 0.027 0.000 0.996 177 S CB -0.091 63.077 63.200 -0.052 0.000 0.882 177 S HN 0.392 nan 8.310 nan 0.000 0.445 178 R N 0.810 121.334 120.500 0.039 0.000 2.080 178 R HA -0.074 4.266 4.340 0.000 0.000 0.236 178 R C 2.432 178.755 176.300 0.039 0.000 1.137 178 R CA 1.452 57.569 56.100 0.029 0.000 0.943 178 R CB -0.769 29.539 30.300 0.013 0.000 0.846 178 R HN 0.344 nan 8.270 nan 0.000 0.431 179 L N 0.274 121.525 121.223 0.047 0.000 2.051 179 L HA -0.291 4.050 4.340 0.000 0.000 0.214 179 L C 2.503 179.399 176.870 0.043 0.000 1.076 179 L CA 1.955 56.814 54.840 0.032 0.000 0.758 179 L CB -0.314 41.761 42.059 0.026 0.000 0.890 179 L HN 0.279 nan 8.230 nan 0.000 0.433 180 H N -0.160 118.916 119.070 0.011 0.000 2.423 180 H HA -0.134 4.423 4.556 0.000 0.000 0.297 180 H C 2.173 177.517 175.328 0.027 0.000 1.075 180 H CA 1.788 57.855 56.048 0.032 0.000 1.342 180 H CB 0.130 30.016 29.762 0.207 0.000 1.395 180 H HN 0.296 nan 8.280 nan 0.000 0.530 181 K N -0.020 120.350 120.400 -0.050 0.000 2.025 181 K HA -0.077 4.243 4.320 0.000 0.000 0.207 181 K C 2.354 178.892 176.600 -0.105 0.000 1.049 181 K CA 0.981 57.206 56.287 -0.104 0.000 0.933 181 K CB 0.070 32.555 32.500 -0.026 0.000 0.714 181 K HN 0.246 nan 8.250 nan 0.000 0.438 182 R N 0.937 121.401 120.500 -0.060 0.000 2.151 182 R HA -0.120 4.220 4.340 0.000 0.000 0.220 182 R C 0.758 177.019 176.300 -0.065 0.000 1.120 182 R CA 1.040 57.112 56.100 -0.047 0.000 0.882 182 R CB -1.062 29.224 30.300 -0.025 0.000 0.806 182 R HN 0.087 nan 8.270 nan 0.000 0.440 183 L N -0.687 120.498 121.223 -0.063 0.000 2.410 183 L HA 0.340 4.680 4.340 0.000 0.000 0.273 183 L C 0.594 177.389 176.870 -0.124 0.000 1.152 183 L CA 0.235 55.039 54.840 -0.061 0.000 0.855 183 L CB 0.722 42.759 42.059 -0.037 0.000 1.129 183 L HN 0.192 nan 8.230 nan 0.000 0.463 184 G N 3.413 112.152 108.800 -0.101 0.000 4.464 184 G HA2 0.370 4.330 3.960 0.000 0.000 0.297 184 G HA3 0.370 4.330 3.960 0.000 0.000 0.297 184 G C 0.368 175.247 174.900 -0.036 0.000 1.342 184 G CA -0.653 44.355 45.100 -0.153 0.000 1.335 184 G HN 0.636 nan 8.290 nan 0.000 0.609 185 R N -0.180 120.325 120.500 0.008 0.000 2.553 185 R HA 0.466 4.806 4.340 0.000 0.000 0.263 185 R C -0.003 176.389 176.300 0.153 0.000 1.066 185 R CA -0.496 55.679 56.100 0.125 0.000 1.135 185 R CB 0.669 31.135 30.300 0.277 0.000 1.148 185 R HN 0.135 nan 8.270 nan 0.000 0.558 186 T N 2.217 116.884 114.554 0.188 0.000 2.884 186 T HA 0.278 4.629 4.350 0.000 0.000 0.298 186 T C -0.002 174.751 174.700 0.088 0.000 0.998 186 T CA 0.303 62.486 62.100 0.137 0.000 1.124 186 T CB 0.318 69.259 68.868 0.122 0.000 0.931 186 T HN 0.273 nan 8.240 nan 0.000 0.531 187 M N 3.878 123.390 119.600 -0.147 0.000 2.267 187 M HA 0.472 4.953 4.480 0.000 0.000 0.289 187 M C -1.079 174.987 176.300 -0.390 0.000 1.043 187 M CA -0.496 54.574 55.300 -0.383 0.000 0.928 187 M CB 2.204 34.201 32.600 -1.005 0.000 1.613 187 M HN 0.403 nan 8.290 nan 0.000 0.450 188 I N 3.053 123.481 120.570 -0.237 0.000 2.354 188 I HA 0.361 4.532 4.170 0.000 0.000 0.286 188 I C -1.251 174.743 176.117 -0.205 0.000 1.007 188 I CA -0.653 60.495 61.300 -0.253 0.000 1.167 188 I CB 0.922 38.728 38.000 -0.323 0.000 1.320 188 I HN 0.604 nan 8.210 nan 0.000 0.458 189 Y N 6.322 126.493 120.300 -0.216 0.000 2.387 189 Y HA 0.685 5.236 4.550 0.000 0.000 0.336 189 Y C -0.775 175.073 175.900 -0.086 0.000 1.067 189 Y CA -0.586 57.473 58.100 -0.068 0.000 1.114 189 Y CB 1.627 40.224 38.460 0.228 0.000 1.208 189 Y HN 0.218 nan 8.280 nan 0.000 0.458 190 V N 5.125 124.950 119.914 -0.148 0.000 2.588 190 V HA 0.603 4.724 4.120 0.000 0.000 0.304 190 V C -0.651 175.446 176.094 0.005 0.000 1.042 190 V CA -0.334 61.968 62.300 0.002 0.000 0.877 190 V CB 1.907 33.709 31.823 -0.036 0.000 0.996 190 V HN 0.970 nan 8.190 nan 0.000 0.425 191 T N 2.022 116.672 114.554 0.159 0.000 2.787 191 T HA 0.461 4.811 4.350 0.000 0.000 0.297 191 T C 0.257 175.043 174.700 0.145 0.000 1.221 191 T CA -0.431 61.712 62.100 0.072 0.000 1.006 191 T CB 1.610 70.554 68.868 0.126 0.000 1.328 191 T HN 0.849 nan 8.240 nan 0.000 0.509 192 H N -1.166 118.030 119.070 0.210 0.000 2.986 192 H HA 0.280 4.836 4.556 0.001 0.000 0.267 192 H C -0.659 174.808 175.328 0.232 0.000 1.072 192 H CA -0.313 55.892 56.048 0.262 0.000 1.202 192 H CB 0.743 30.616 29.762 0.185 0.000 1.535 192 H HN 0.380 nan 8.280 nan 0.000 0.522 193 D N 2.680 123.096 120.400 0.027 0.000 2.396 193 D HA -0.008 4.633 4.640 0.000 0.000 0.225 193 D C 1.237 177.552 176.300 0.025 0.000 1.121 193 D CA -0.317 53.702 54.000 0.031 0.000 0.853 193 D CB 1.795 42.559 40.800 -0.061 0.000 1.043 193 D HN 0.468 nan 8.370 nan 0.000 0.500 194 Q N 2.305 122.063 119.800 -0.070 0.000 2.197 194 Q HA -0.183 4.158 4.340 0.000 0.000 0.207 194 Q C 1.520 177.498 176.000 -0.036 0.000 0.984 194 Q CA 1.595 57.367 55.803 -0.052 0.000 0.869 194 Q CB -0.545 28.037 28.738 -0.260 0.000 0.906 194 Q HN 0.306 nan 8.270 nan 0.000 0.426 195 V N 1.294 121.170 119.914 -0.064 0.000 2.295 195 V HA -0.266 3.854 4.120 0.000 0.000 0.246 195 V C 2.295 178.345 176.094 -0.074 0.000 1.049 195 V CA 2.254 64.513 62.300 -0.069 0.000 1.024 195 V CB -0.749 31.033 31.823 -0.067 0.000 0.648 195 V HN 0.440 nan 8.190 nan 0.000 0.447 196 E N 0.263 120.428 120.200 -0.058 0.000 2.085 196 E HA -0.224 4.126 4.350 0.000 0.000 0.194 196 E C 2.359 178.875 176.600 -0.140 0.000 0.994 196 E CA 1.346 57.691 56.400 -0.092 0.000 0.801 196 E CB -0.310 29.378 29.700 -0.019 0.000 0.743 196 E HN 0.613 nan 8.360 nan 0.000 0.453 197 A N 1.628 124.419 122.820 -0.049 0.000 1.851 197 A HA -0.222 4.099 4.320 0.000 0.000 0.216 197 A C 2.191 179.719 177.584 -0.092 0.000 1.195 197 A CA 1.543 53.561 52.037 -0.032 0.000 0.622 197 A CB -0.481 18.575 19.000 0.093 0.000 0.831 197 A HN 0.132 nan 8.150 nan 0.000 0.444 198 M N -0.360 119.200 119.600 -0.065 0.000 2.144 198 M HA -0.145 4.335 4.480 0.000 0.000 0.260 198 M C 2.122 178.337 176.300 -0.140 0.000 1.067 198 M CA 2.140 57.387 55.300 -0.089 0.000 1.095 198 M CB -1.815 30.731 32.600 -0.090 0.000 1.365 198 M HN 0.480 nan 8.290 nan 0.000 0.406 199 T N 0.680 115.134 114.554 -0.166 0.000 2.942 199 T HA 0.069 4.419 4.350 0.000 0.000 0.265 199 T C 1.978 176.509 174.700 -0.281 0.000 1.062 199 T CA 0.793 62.777 62.100 -0.193 0.000 1.139 199 T CB 0.101 68.868 68.868 -0.168 0.000 0.883 199 T HN 0.308 nan 8.240 nan 0.000 0.468 200 L N 0.084 121.064 121.223 -0.405 0.000 2.286 200 L HA 0.406 4.746 4.340 0.000 0.000 0.203 200 L C 1.498 177.827 176.870 -0.902 0.000 1.068 200 L CA -0.180 54.239 54.840 -0.702 0.000 0.811 200 L CB -0.440 41.051 42.059 -0.947 0.000 0.989 200 L HN 0.096 nan 8.230 nan 0.000 0.467 201 A N 0.282 122.742 122.820 -0.599 0.000 2.386 201 A HA 0.062 4.383 4.320 0.000 0.000 0.248 201 A C 0.370 177.832 177.584 -0.203 0.000 1.082 201 A CA -0.110 51.685 52.037 -0.403 0.000 0.789 201 A CB 0.254 19.174 19.000 -0.133 0.000 1.025 201 A HN 0.190 nan 8.150 nan 0.000 0.490 202 D N -0.410 119.951 120.400 -0.064 0.000 2.324 202 D HA 0.107 4.747 4.640 0.000 0.000 0.212 202 D C 0.353 176.692 176.300 0.065 0.000 0.984 202 D CA 1.053 55.073 54.000 0.032 0.000 0.885 202 D CB 0.389 41.261 40.800 0.121 0.000 0.996 202 D HN 0.579 nan 8.370 nan 0.000 0.505 203 K N 0.866 121.317 120.400 0.084 0.000 2.535 203 K HA 0.309 4.629 4.320 0.000 0.000 0.250 203 K C -1.586 175.090 176.600 0.126 0.000 0.948 203 K CA -0.503 55.848 56.287 0.107 0.000 0.796 203 K CB 2.022 34.594 32.500 0.120 0.000 1.216 203 K HN -0.254 nan 8.250 nan 0.000 0.432 204 I N 4.118 124.764 120.570 0.125 0.000 2.460 204 I HA 0.331 4.501 4.170 0.000 0.000 0.298 204 I C -0.429 175.786 176.117 0.162 0.000 0.989 204 I CA -0.933 60.460 61.300 0.156 0.000 1.173 204 I CB 1.648 39.731 38.000 0.138 0.000 1.338 204 I HN 0.463 nan 8.210 nan 0.000 0.456 205 V N 7.421 127.453 119.914 0.197 0.000 2.407 205 V HA 0.487 4.607 4.120 0.000 0.000 0.291 205 V C -0.688 175.449 176.094 0.072 0.000 1.018 205 V CA -0.387 61.977 62.300 0.107 0.000 0.842 205 V CB 1.786 33.636 31.823 0.046 0.000 0.996 205 V HN 0.394 nan 8.190 nan 0.000 0.426 206 V N 8.118 128.060 119.914 0.045 0.000 2.432 206 V HA 0.444 4.564 4.120 0.000 0.000 0.275 206 V C 0.209 176.266 176.094 -0.061 0.000 1.043 206 V CA -0.332 61.978 62.300 0.016 0.000 0.925 206 V CB 1.167 33.040 31.823 0.083 0.000 0.985 206 V HN 0.779 nan 8.190 nan 0.000 0.466 207 L N 4.365 125.517 121.223 -0.118 0.000 2.317 207 L HA 0.642 4.982 4.340 0.000 0.000 0.281 207 L C -0.671 176.030 176.870 -0.281 0.000 1.024 207 L CA -0.363 54.364 54.840 -0.187 0.000 0.810 207 L CB 1.848 43.804 42.059 -0.172 0.000 1.240 207 L HN 0.608 nan 8.230 nan 0.000 0.427 208 D N 2.861 123.004 120.400 -0.429 0.000 2.620 208 D HA 0.475 5.115 4.640 0.000 0.000 0.252 208 D C 0.241 176.285 176.300 -0.427 0.000 1.207 208 D CA -0.080 53.483 54.000 -0.728 0.000 0.884 208 D CB 1.781 41.708 40.800 -1.456 0.000 1.262 208 D HN 0.704 nan 8.370 nan 0.000 0.552 209 A N 3.006 125.648 122.820 -0.296 0.000 2.748 209 A HA 0.075 4.395 4.320 0.000 0.000 0.297 209 A C 1.603 179.096 177.584 -0.153 0.000 1.508 209 A CA 1.995 53.922 52.037 -0.184 0.000 0.799 209 A CB -2.009 16.883 19.000 -0.180 0.000 1.011 209 A HN 1.878 nan 8.150 nan 0.000 0.500 210 G N -1.857 106.853 108.800 -0.150 0.000 2.217 210 G HA2 -0.224 3.736 3.960 0.000 0.000 0.246 210 G HA3 -0.224 3.736 3.960 0.000 0.000 0.246 210 G C 0.180 174.996 174.900 -0.139 0.000 0.990 210 G CA 1.126 46.152 45.100 -0.123 0.000 0.627 210 G HN 2.214 nan 8.290 nan 0.000 0.522 211 R N -0.305 120.093 120.500 -0.169 0.000 2.643 211 R HA 0.728 5.068 4.340 0.000 0.000 0.272 211 R C -0.448 175.747 176.300 -0.174 0.000 0.995 211 R CA -0.737 55.270 56.100 -0.155 0.000 1.032 211 R CB 1.702 31.914 30.300 -0.147 0.000 1.126 211 R HN 0.160 nan 8.270 nan 0.000 0.505 212 V N 3.111 122.942 119.914 -0.139 0.000 2.372 212 V HA 0.182 4.302 4.120 0.000 0.000 0.261 212 V C 1.183 177.226 176.094 -0.086 0.000 1.055 212 V CA 0.319 62.543 62.300 -0.127 0.000 0.930 212 V CB 0.409 32.166 31.823 -0.110 0.000 1.031 212 V HN 1.046 nan 8.190 nan 0.000 0.479 213 A N 4.464 127.235 122.820 -0.082 0.000 1.969 213 A HA -0.006 4.315 4.320 0.000 0.000 0.218 213 A C 0.912 178.523 177.584 0.046 0.000 1.169 213 A CA 1.244 53.272 52.037 -0.016 0.000 0.635 213 A CB 0.040 19.071 19.000 0.051 0.000 0.810 213 A HN 0.804 nan 8.150 nan 0.000 0.445 214 Q N -2.528 117.299 119.800 0.046 0.000 2.736 214 Q HA 0.483 4.824 4.340 0.000 0.000 0.273 214 Q C -2.406 173.634 176.000 0.067 0.000 0.948 214 Q CA -0.529 55.317 55.803 0.072 0.000 0.854 214 Q CB 1.241 30.051 28.738 0.120 0.000 1.569 214 Q HN 0.123 nan 8.270 nan 0.000 0.405 215 V N 1.415 121.373 119.914 0.073 0.000 2.709 215 V HA 1.009 5.129 4.120 0.000 0.000 0.308 215 V C 0.085 176.239 176.094 0.101 0.000 1.062 215 V CA 0.373 62.720 62.300 0.079 0.000 0.901 215 V CB 1.630 33.487 31.823 0.056 0.000 1.003 215 V HN 0.999 nan 8.190 nan 0.000 0.425 216 G N 3.064 111.932 108.800 0.113 0.000 2.321 216 G HA2 0.270 4.230 3.960 0.000 0.000 0.298 216 G HA3 0.270 4.230 3.960 0.000 0.000 0.298 216 G C -1.518 173.456 174.900 0.122 0.000 1.385 216 G CA -1.084 44.089 45.100 0.122 0.000 0.856 216 G HN 0.570 nan 8.290 nan 0.000 0.584 217 K N 0.955 121.429 120.400 0.123 0.000 2.380 217 K HA 0.193 4.514 4.320 0.000 0.000 0.267 217 K C -1.578 175.086 176.600 0.106 0.000 0.990 217 K CA -0.970 55.381 56.287 0.106 0.000 0.946 217 K CB 1.173 33.737 32.500 0.107 0.000 0.937 217 K HN 0.079 nan 8.250 nan 0.000 0.491 218 P HA -0.220 nan 4.420 nan 0.000 0.215 218 P C 1.025 178.367 177.300 0.070 0.000 1.163 218 P CA 1.422 64.552 63.100 0.051 0.000 0.894 218 P CB 0.131 31.823 31.700 -0.013 0.000 0.791 219 L N -0.985 120.274 121.223 0.060 0.000 2.201 219 L HA -0.168 4.172 4.340 0.000 0.000 0.212 219 L C 2.336 179.327 176.870 0.202 0.000 1.105 219 L CA 1.392 56.277 54.840 0.075 0.000 0.775 219 L CB -0.750 41.382 42.059 0.122 0.000 0.913 219 L HN 0.079 nan 8.230 nan 0.000 0.440 220 E N -0.086 120.254 120.200 0.233 0.000 2.047 220 E HA -0.213 4.137 4.350 0.000 0.000 0.191 220 E C 2.122 178.894 176.600 0.286 0.000 0.987 220 E CA 0.909 57.499 56.400 0.317 0.000 0.799 220 E CB 0.005 29.858 29.700 0.255 0.000 0.752 220 E HN 0.228 nan 8.360 nan 0.000 0.449 221 L N -0.083 121.270 121.223 0.217 0.000 2.141 221 L HA -0.165 4.175 4.340 0.000 0.000 0.209 221 L C 2.118 179.097 176.870 0.183 0.000 1.094 221 L CA 1.497 56.458 54.840 0.201 0.000 0.763 221 L CB -0.658 41.508 42.059 0.179 0.000 0.908 221 L HN 0.220 nan 8.230 nan 0.000 0.437 222 Y N -1.245 119.056 120.300 0.002 0.000 2.243 222 Y HA -0.150 4.400 4.550 0.000 0.000 0.293 222 Y C 2.699 178.540 175.900 -0.098 0.000 1.124 222 Y CA 1.547 59.593 58.100 -0.091 0.000 1.159 222 Y CB -0.000 38.324 38.460 -0.227 0.000 1.008 222 Y HN 0.230 nan 8.280 nan 0.000 0.527 223 H N -1.741 117.291 119.070 -0.063 0.000 2.448 223 H HA 0.077 4.634 4.556 0.000 0.000 0.292 223 H C -0.332 174.613 175.328 -0.638 0.000 1.035 223 H CA 1.002 56.760 56.048 -0.482 0.000 1.349 223 H CB -0.008 29.295 29.762 -0.766 0.000 1.425 223 H HN 0.280 nan 8.280 nan 0.000 0.539 224 Y N 1.286 121.757 120.300 0.285 0.000 2.584 224 Y HA 0.286 4.836 4.550 0.000 0.000 0.358 224 Y C -2.351 173.684 175.900 0.225 0.000 1.028 224 Y CA -3.218 55.019 58.100 0.229 0.000 1.148 224 Y CB 0.715 39.273 38.460 0.165 0.000 1.126 224 Y HN 0.012 nan 8.280 nan 0.000 0.658 225 P HA 0.107 nan 4.420 nan 0.000 0.271 225 P C 0.551 178.061 177.300 0.350 0.000 1.216 225 P CA 0.249 63.531 63.100 0.303 0.000 0.776 225 P CB 1.989 33.841 31.700 0.254 0.000 0.881 226 A N 3.297 126.283 122.820 0.277 0.000 1.969 226 A HA -0.073 4.248 4.320 0.000 0.000 0.218 226 A C 0.639 178.401 177.584 0.297 0.000 1.169 226 A CA 1.633 53.817 52.037 0.245 0.000 0.635 226 A CB -0.741 18.364 19.000 0.175 0.000 0.810 226 A HN 0.738 nan 8.150 nan 0.000 0.445 227 D N -4.949 115.644 120.400 0.321 0.000 2.677 227 D HA 0.313 4.953 4.640 0.000 0.000 0.298 227 D C 0.641 176.963 176.300 0.037 0.000 1.250 227 D CA -0.850 53.338 54.000 0.313 0.000 0.888 227 D CB 0.309 41.217 40.800 0.180 0.000 1.397 227 D HN -0.211 nan 8.370 nan 0.000 0.461 228 R N -0.529 119.718 120.500 -0.421 0.000 2.103 228 R HA -0.118 4.223 4.340 0.000 0.000 0.242 228 R C 1.766 177.829 176.300 -0.394 0.000 1.142 228 R CA 1.196 56.712 56.100 -0.975 0.000 0.960 228 R CB -0.712 29.053 30.300 -0.891 0.000 0.858 228 R HN 0.591 nan 8.270 nan 0.000 0.439 229 F N 0.819 120.630 119.950 -0.233 0.000 2.069 229 F HA -0.245 4.283 4.527 0.000 0.000 0.298 229 F C 2.247 178.051 175.800 0.007 0.000 1.113 229 F CA 1.669 59.608 58.000 -0.103 0.000 1.214 229 F CB -0.531 38.418 39.000 -0.085 0.000 0.978 229 F HN -0.234 nan 8.300 nan 0.000 0.474 230 V N 0.631 120.584 119.914 0.065 0.000 2.343 230 V HA -0.312 3.808 4.120 0.000 0.000 0.247 230 V C 2.735 178.845 176.094 0.026 0.000 1.051 230 V CA 1.763 64.101 62.300 0.064 0.000 1.036 230 V CB -1.669 30.265 31.823 0.185 0.000 0.654 230 V HN 0.518 nan 8.190 nan 0.000 0.451 231 A N 0.330 123.161 122.820 0.019 0.000 1.978 231 A HA -0.071 4.250 4.320 0.000 0.000 0.220 231 A C 2.180 179.785 177.584 0.034 0.000 1.170 231 A CA 1.859 53.914 52.037 0.030 0.000 0.636 231 A CB -0.744 18.311 19.000 0.091 0.000 0.810 231 A HN 0.585 nan 8.150 nan 0.000 0.448 232 G N -3.276 105.542 108.800 0.030 0.000 3.126 232 G HA2 0.265 4.225 3.960 0.000 0.000 0.224 232 G HA3 0.265 4.225 3.960 0.000 0.000 0.224 232 G C 0.871 175.733 174.900 -0.063 0.000 1.142 232 G CA 0.485 45.622 45.100 0.062 0.000 0.759 232 G HN 0.423 nan 8.290 nan 0.000 0.550 233 F N 0.336 120.125 119.950 -0.270 0.000 2.559 233 F HA 0.469 4.997 4.527 0.000 0.000 0.286 233 F C 0.435 176.170 175.800 -0.109 0.000 1.108 233 F CA -0.264 57.576 58.000 -0.267 0.000 1.436 233 F CB 0.653 39.373 39.000 -0.466 0.000 1.130 233 F HN -0.161 nan 8.300 nan 0.000 0.584 234 I N 1.669 122.249 120.570 0.018 0.000 2.312 234 I HA 0.521 4.691 4.170 0.000 0.000 0.290 234 I C 0.099 176.220 176.117 0.008 0.000 1.008 234 I CA -0.207 61.107 61.300 0.023 0.000 1.226 234 I CB 0.255 38.343 38.000 0.147 0.000 1.371 234 I HN 0.260 nan 8.210 nan 0.000 0.468 235 G N 3.801 112.586 108.800 -0.025 0.000 2.661 235 G HA2 -0.006 3.954 3.960 0.000 0.000 0.262 235 G HA3 -0.006 3.954 3.960 0.000 0.000 0.262 235 G C 0.332 175.195 174.900 -0.062 0.000 1.310 235 G CA -0.333 44.774 45.100 0.011 0.000 1.160 235 G HN 0.490 nan 8.290 nan 0.000 0.598 236 S N 1.533 117.199 115.700 -0.058 0.000 2.470 236 S HA -0.137 4.333 4.470 0.000 0.000 0.255 236 S C -1.064 173.492 174.600 -0.074 0.000 1.058 236 S CA 1.930 60.086 58.200 -0.074 0.000 1.310 236 S CB -0.764 62.396 63.200 -0.066 0.000 1.222 236 S HN 0.633 nan 8.310 nan 0.000 0.431 237 P HA 0.322 nan 4.420 nan 0.000 0.287 237 P C -0.499 176.751 177.300 -0.084 0.000 1.281 237 P CA -0.329 62.732 63.100 -0.065 0.000 0.781 237 P CB 0.634 32.297 31.700 -0.062 0.000 0.903 238 K N 3.569 123.916 120.400 -0.087 0.000 2.559 238 K HA -0.024 4.296 4.320 0.000 0.000 0.279 238 K C 0.343 176.844 176.600 -0.165 0.000 0.967 238 K CA 0.017 56.242 56.287 -0.103 0.000 1.000 238 K CB 0.250 32.716 32.500 -0.057 0.000 0.890 238 K HN 0.478 nan 8.250 nan 0.000 0.501 239 M N 3.508 122.958 119.600 -0.251 0.000 2.245 239 M HA -0.018 4.462 4.480 0.000 0.000 0.344 239 M C -0.598 175.299 176.300 -0.671 0.000 1.170 239 M CA 0.278 55.311 55.300 -0.444 0.000 1.135 239 M CB 0.363 32.614 32.600 -0.582 0.000 1.574 239 M HN 0.594 nan 8.290 nan 0.000 0.452 240 N N 2.986 121.384 118.700 -0.503 0.000 2.525 240 N HA 0.373 5.113 4.740 0.000 0.000 0.271 240 N C -1.755 173.395 175.510 -0.601 0.000 1.194 240 N CA 0.203 53.019 53.050 -0.390 0.000 0.964 240 N CB 0.604 38.996 38.487 -0.158 0.000 1.126 240 N HN 0.361 nan 8.380 nan 0.000 0.452 241 F N 1.308 121.273 119.950 0.025 0.000 2.539 241 F HA 0.405 4.932 4.527 0.000 0.000 0.328 241 F C -0.642 175.185 175.800 0.046 0.000 1.148 241 F CA -0.676 57.354 58.000 0.049 0.000 0.940 241 F CB 0.911 39.922 39.000 0.018 0.000 1.194 241 F HN 0.083 nan 8.300 nan 0.000 0.438 242 L N 5.728 127.094 121.223 0.238 0.000 2.313 242 L HA 0.519 4.860 4.340 0.000 0.000 0.283 242 L C -2.443 174.511 176.870 0.140 0.000 1.013 242 L CA -2.101 52.826 54.840 0.145 0.000 0.816 242 L CB 1.940 44.053 42.059 0.091 0.000 1.236 242 L HN 0.287 nan 8.230 nan 0.000 0.419 243 P HA 0.150 nan 4.420 nan 0.000 0.276 243 P C -0.676 176.657 177.300 0.055 0.000 1.253 243 P CA -0.057 63.089 63.100 0.076 0.000 0.766 243 P CB 1.487 33.219 31.700 0.054 0.000 0.845 244 V N 0.880 120.825 119.914 0.052 0.000 3.126 244 V HA 0.684 4.804 4.120 0.000 0.000 0.314 244 V C -0.573 175.527 176.094 0.010 0.000 1.138 244 V CA -1.282 61.032 62.300 0.024 0.000 1.034 244 V CB 2.463 34.298 31.823 0.020 0.000 1.075 244 V HN 0.369 nan 8.190 nan 0.000 0.442 245 K N 1.225 121.617 120.400 -0.013 0.000 2.413 245 K HA 0.649 4.970 4.320 0.000 0.000 0.257 245 K C -1.095 175.477 176.600 -0.048 0.000 0.946 245 K CA -0.721 55.553 56.287 -0.022 0.000 0.823 245 K CB 2.036 34.523 32.500 -0.023 0.000 1.109 245 K HN 0.918 nan 8.250 nan 0.000 0.427 246 V N 4.595 124.481 119.914 -0.046 0.000 2.521 246 V HA 0.111 4.231 4.120 0.000 0.000 0.286 246 V C 0.665 176.705 176.094 -0.090 0.000 1.034 246 V CA 0.952 63.207 62.300 -0.075 0.000 1.045 246 V CB 1.013 32.805 31.823 -0.052 0.000 0.974 246 V HN 1.019 nan 8.190 nan 0.000 0.480 247 T N 3.173 117.639 114.554 -0.146 0.000 3.044 247 T HA 0.718 5.069 4.350 0.000 0.000 0.260 247 T C 0.229 174.832 174.700 -0.161 0.000 1.019 247 T CA 0.345 62.360 62.100 -0.142 0.000 0.921 247 T CB 0.265 69.034 68.868 -0.163 0.000 1.053 247 T HN 1.819 nan 8.240 nan 0.000 0.533 248 A N 0.867 123.569 122.820 -0.197 0.000 2.586 248 A HA 0.622 4.942 4.320 0.000 0.000 0.298 248 A C -0.336 177.210 177.584 -0.064 0.000 1.013 248 A CA -0.468 51.488 52.037 -0.136 0.000 0.707 248 A CB 0.588 19.468 19.000 -0.199 0.000 1.276 248 A HN 0.716 nan 8.150 nan 0.000 0.414 249 T N -1.019 113.611 114.554 0.126 0.000 2.864 249 T HA 1.094 5.444 4.350 0.000 0.000 0.289 249 T C -0.016 174.865 174.700 0.301 0.000 1.082 249 T CA 0.070 62.301 62.100 0.218 0.000 1.009 249 T CB 1.666 70.600 68.868 0.110 0.000 1.234 249 T HN 2.639 nan 8.240 nan 0.000 0.526 250 A N 0.342 123.300 122.820 0.229 0.000 2.483 250 A HA 0.643 4.963 4.320 0.000 0.000 0.306 250 A C -1.572 176.045 177.584 0.055 0.000 1.137 250 A CA -0.964 51.138 52.037 0.108 0.000 0.626 250 A CB 0.491 19.494 19.000 0.005 0.000 1.352 250 A HN 0.797 nan 8.150 nan 0.000 0.508 251 I N 1.850 122.421 120.570 0.002 0.000 2.371 251 I HA 0.257 4.428 4.170 0.000 0.000 0.290 251 I C -0.240 175.869 176.117 -0.014 0.000 1.028 251 I CA 0.553 61.851 61.300 -0.004 0.000 1.345 251 I CB 0.038 38.027 38.000 -0.018 0.000 1.407 251 I HN 0.690 nan 8.210 nan 0.000 0.501 252 D N 4.343 124.744 120.400 0.003 0.000 2.772 252 D HA -0.223 4.418 4.640 0.000 0.000 0.233 252 D C 0.189 176.497 176.300 0.013 0.000 1.143 252 D CA 0.923 54.924 54.000 0.001 0.000 0.700 252 D CB -0.534 40.255 40.800 -0.018 0.000 1.076 252 D HN 0.756 nan 8.370 nan 0.000 0.430 253 Q N -0.832 119.005 119.800 0.061 0.000 2.518 253 Q HA 0.404 4.744 4.340 0.000 0.000 0.254 253 Q C -2.024 174.171 176.000 0.325 0.000 0.962 253 Q CA -0.598 55.292 55.803 0.144 0.000 0.982 253 Q CB 1.905 30.637 28.738 -0.010 0.000 1.516 253 Q HN -0.005 nan 8.270 nan 0.000 0.426 254 V N 3.084 123.216 119.914 0.363 0.000 2.709 254 V HA 0.487 4.607 4.120 0.000 0.000 0.308 254 V C -0.765 175.375 176.094 0.077 0.000 1.062 254 V CA -0.695 61.748 62.300 0.239 0.000 0.901 254 V CB 1.889 33.759 31.823 0.078 0.000 1.003 254 V HN 0.763 nan 8.190 nan 0.000 0.425 255 Q N 3.097 122.643 119.800 -0.423 0.000 2.312 255 Q HA 0.816 5.156 4.340 0.000 0.000 0.263 255 Q C -1.246 174.493 176.000 -0.434 0.000 0.995 255 Q CA -0.508 54.795 55.803 -0.832 0.000 0.853 255 Q CB 2.259 29.828 28.738 -1.948 0.000 1.300 255 Q HN 0.813 nan 8.270 nan 0.000 0.448 256 V N 0.204 119.931 119.914 -0.312 0.000 3.130 256 V HA 0.688 4.808 4.120 0.000 0.000 0.310 256 V C -1.267 174.732 176.094 -0.158 0.000 1.158 256 V CA -0.978 61.212 62.300 -0.182 0.000 1.029 256 V CB 1.822 33.586 31.823 -0.098 0.000 1.057 256 V HN 0.962 nan 8.190 nan 0.000 0.436 257 E N 2.766 122.902 120.200 -0.106 0.000 2.171 257 E HA 0.633 4.984 4.350 0.000 0.000 0.271 257 E C -1.110 175.463 176.600 -0.046 0.000 0.916 257 E CA -0.916 55.435 56.400 -0.081 0.000 0.774 257 E CB 2.093 31.749 29.700 -0.074 0.000 1.128 257 E HN 0.752 nan 8.360 nan 0.000 0.403 258 L N 4.568 125.769 121.223 -0.036 0.000 2.426 258 L HA 0.165 4.505 4.340 0.000 0.000 0.271 258 L C -1.184 175.680 176.870 -0.009 0.000 1.169 258 L CA -1.716 53.115 54.840 -0.015 0.000 0.836 258 L CB 0.469 42.520 42.059 -0.013 0.000 1.112 258 L HN 0.602 nan 8.230 nan 0.000 0.465 259 P HA -0.142 nan 4.420 nan 0.000 0.234 259 P C 0.170 177.471 177.300 0.002 0.000 1.162 259 P CA 0.780 63.883 63.100 0.006 0.000 0.759 259 P CB 0.070 31.780 31.700 0.017 0.000 0.813 260 M N -0.016 119.583 119.600 -0.001 0.000 2.251 260 M HA 0.073 4.553 4.480 0.000 0.000 0.343 260 M C -1.591 174.706 176.300 -0.005 0.000 1.245 260 M CA -1.977 53.321 55.300 -0.003 0.000 1.061 260 M CB -0.978 31.618 32.600 -0.007 0.000 1.723 260 M HN -0.221 nan 8.290 nan 0.000 0.449 261 P HA -0.061 nan 4.420 nan 0.000 0.236 261 P C 0.970 178.266 177.300 -0.007 0.000 1.172 261 P CA 0.886 63.983 63.100 -0.004 0.000 0.759 261 P CB -0.022 31.677 31.700 -0.002 0.000 0.843 262 N N 0.258 118.953 118.700 -0.009 0.000 2.373 262 N HA -0.005 4.735 4.740 0.000 0.000 0.181 262 N C 0.292 175.793 175.510 -0.016 0.000 1.082 262 N CA 0.105 53.148 53.050 -0.012 0.000 0.885 262 N CB -0.002 38.478 38.487 -0.012 0.000 0.977 262 N HN -0.119 nan 8.380 nan 0.000 0.462 263 R N 1.319 121.809 120.500 -0.017 0.000 3.358 263 R HA -0.218 4.122 4.340 0.000 0.000 0.248 263 R C -0.081 176.200 176.300 -0.033 0.000 0.981 263 R CA 0.353 56.439 56.100 -0.024 0.000 0.662 263 R CB -2.100 28.186 30.300 -0.024 0.000 1.037 263 R HN 0.558 nan 8.270 nan 0.000 0.460 264 Q N 1.481 121.263 119.800 -0.030 0.000 2.315 264 Q HA -0.039 4.301 4.340 0.000 0.000 0.289 264 Q C -0.349 175.618 176.000 -0.054 0.000 1.044 264 Q CA 0.669 56.451 55.803 -0.034 0.000 0.920 264 Q CB 0.606 29.328 28.738 -0.026 0.000 1.214 264 Q HN 0.238 nan 8.270 nan 0.000 0.392 265 Q N 2.263 122.020 119.800 -0.071 0.000 2.271 265 Q HA 0.532 4.872 4.340 0.000 0.000 0.258 265 Q C -1.211 174.712 176.000 -0.128 0.000 0.936 265 Q CA -0.711 55.015 55.803 -0.127 0.000 0.909 265 Q CB 2.070 30.709 28.738 -0.166 0.000 1.253 265 Q HN 0.405 nan 8.270 nan 0.000 0.440 266 V N 1.634 121.450 119.914 -0.163 0.000 2.709 266 V HA 0.369 4.489 4.120 0.000 0.000 0.308 266 V C -1.166 174.850 176.094 -0.130 0.000 1.062 266 V CA -1.057 61.188 62.300 -0.091 0.000 0.901 266 V CB 1.484 33.289 31.823 -0.030 0.000 1.003 266 V HN 0.726 nan 8.190 nan 0.000 0.425 267 W N 4.275 125.564 121.300 -0.019 0.000 2.316 267 W HA 0.693 5.353 4.660 0.001 0.000 0.311 267 W C -0.352 176.149 176.519 -0.030 0.000 1.217 267 W CA -0.315 57.017 57.345 -0.021 0.000 1.199 267 W CB 1.032 30.481 29.460 -0.018 0.000 1.202 267 W HN 0.326 nan 8.180 nan 0.000 0.528 268 L N 6.276 127.640 121.223 0.234 0.000 2.325 268 L HA 0.339 4.680 4.340 0.000 0.000 0.281 268 L C -1.739 175.197 176.870 0.109 0.000 1.004 268 L CA -2.202 52.702 54.840 0.108 0.000 0.823 268 L CB 1.866 43.944 42.059 0.032 0.000 1.236 268 L HN 0.175 nan 8.230 nan 0.000 0.415 269 P HA 0.021 nan 4.420 nan 0.000 0.235 269 P C -0.413 176.905 177.300 0.029 0.000 1.720 269 P CA 0.120 63.248 63.100 0.048 0.000 1.003 269 P CB -0.255 31.471 31.700 0.043 0.000 1.968 270 V N -2.196 117.737 119.914 0.031 0.000 2.769 270 V HA 0.344 4.465 4.120 0.000 0.000 0.312 270 V C 1.799 177.902 176.094 0.014 0.000 1.058 270 V CA -1.000 61.302 62.300 0.004 0.000 0.952 270 V CB 1.697 33.504 31.823 -0.026 0.000 1.019 270 V HN 0.156 nan 8.190 nan 0.000 0.445 271 E N 2.187 122.386 120.200 -0.001 0.000 2.330 271 E HA -0.439 3.912 4.350 0.000 0.000 0.239 271 E C 1.437 178.046 176.600 0.015 0.000 1.097 271 E CA 3.464 59.864 56.400 0.001 0.000 1.031 271 E CB -0.217 29.481 29.700 -0.004 0.000 0.885 271 E HN 1.668 nan 8.360 nan 0.000 0.479 272 S N -1.573 114.141 115.700 0.022 0.000 3.018 272 S HA -0.276 4.194 4.470 0.000 0.000 0.274 272 S C 0.555 175.171 174.600 0.027 0.000 1.300 272 S CA 1.407 59.629 58.200 0.036 0.000 1.179 272 S CB -1.500 61.733 63.200 0.054 0.000 1.427 272 S HN 0.522 nan 8.310 nan 0.000 0.668 273 R N 1.386 121.897 120.500 0.018 0.000 0.631 273 R HA -0.017 4.323 4.340 0.000 0.000 0.045 273 R C 0.430 176.741 176.300 0.019 0.000 0.423 273 R CA 0.925 57.035 56.100 0.016 0.000 2.169 273 R CB -0.538 29.770 30.300 0.014 0.000 0.471 273 R HN 0.431 nan 8.270 nan 0.000 0.808 274 D N 1.030 121.442 120.400 0.019 0.000 2.569 274 D HA -0.017 4.623 4.640 0.000 0.000 0.254 274 D C -1.338 174.975 176.300 0.021 0.000 1.274 274 D CA 0.483 54.495 54.000 0.020 0.000 1.306 274 D CB -0.443 40.369 40.800 0.021 0.000 1.139 274 D HN 0.182 nan 8.370 nan 0.000 0.511 275 V N 3.442 123.368 119.914 0.020 0.000 2.610 275 V HA 0.309 4.430 4.120 0.000 0.000 0.298 275 V C -1.315 174.789 176.094 0.017 0.000 1.067 275 V CA -0.658 61.653 62.300 0.019 0.000 0.894 275 V CB 1.663 33.498 31.823 0.019 0.000 1.015 275 V HN 0.310 nan 8.190 nan 0.000 0.432 276 Q N 4.186 123.993 119.800 0.012 0.000 2.266 276 Q HA 0.631 4.971 4.340 0.000 0.000 0.261 276 Q C -0.550 175.451 176.000 0.001 0.000 0.985 276 Q CA -0.949 54.859 55.803 0.009 0.000 0.873 276 Q CB 2.721 31.464 28.738 0.009 0.000 1.306 276 Q HN 0.692 nan 8.270 nan 0.000 0.447 277 V N 1.349 121.262 119.914 -0.002 0.000 2.788 277 V HA 0.053 4.174 4.120 0.000 0.000 0.307 277 V C 1.379 177.465 176.094 -0.014 0.000 1.069 277 V CA 1.990 64.281 62.300 -0.014 0.000 1.173 277 V CB 0.320 32.136 31.823 -0.012 0.000 0.925 277 V HN 1.170 nan 8.190 nan 0.000 0.492 278 G N 2.967 111.754 108.800 -0.022 0.000 2.225 278 G HA2 -0.136 3.824 3.960 0.000 0.000 0.254 278 G HA3 -0.136 3.824 3.960 0.000 0.000 0.254 278 G C 0.470 175.364 174.900 -0.010 0.000 0.988 278 G CA 0.225 45.315 45.100 -0.016 0.000 0.625 278 G HN 1.626 nan 8.290 nan 0.000 0.527 279 A N 0.285 123.101 122.820 -0.007 0.000 2.462 279 A HA 0.542 4.863 4.320 0.000 0.000 0.243 279 A C 0.420 178.006 177.584 0.003 0.000 1.076 279 A CA 0.072 52.109 52.037 0.001 0.000 0.773 279 A CB 0.196 19.200 19.000 0.007 0.000 1.010 279 A HN 0.389 nan 8.150 nan 0.000 0.493 280 N N 1.817 120.523 118.700 0.010 0.000 2.434 280 N HA 0.511 5.251 4.740 0.000 0.000 0.272 280 N C -0.449 175.080 175.510 0.031 0.000 1.040 280 N CA 0.278 53.338 53.050 0.016 0.000 0.956 280 N CB 1.225 39.721 38.487 0.015 0.000 1.108 280 N HN 0.646 nan 8.380 nan 0.000 0.481 281 M N -0.260 119.365 119.600 0.042 0.000 2.745 281 M HA 0.320 4.801 4.480 0.000 0.000 0.290 281 M C -0.285 176.079 176.300 0.108 0.000 1.262 281 M CA -0.848 54.496 55.300 0.073 0.000 0.795 281 M CB 1.928 34.565 32.600 0.061 0.000 1.758 281 M HN 0.208 nan 8.290 nan 0.000 0.461 282 S N 1.378 117.190 115.700 0.187 0.000 2.474 282 S HA 0.580 5.050 4.470 0.000 0.000 0.321 282 S C -1.241 173.584 174.600 0.375 0.000 1.080 282 S CA -0.701 57.664 58.200 0.275 0.000 1.106 282 S CB 0.561 63.924 63.200 0.271 0.000 0.984 282 S HN 0.578 nan 8.310 nan 0.000 0.464 283 L N 5.535 126.930 121.223 0.287 0.000 2.276 283 L HA 0.770 5.110 4.340 0.000 0.000 0.286 283 L C 0.370 177.442 176.870 0.337 0.000 1.061 283 L CA -0.206 54.773 54.840 0.233 0.000 0.807 283 L CB 0.601 42.733 42.059 0.120 0.000 1.177 283 L HN 0.726 nan 8.230 nan 0.000 0.429 284 G N 5.401 114.415 108.800 0.356 0.000 2.417 284 G HA2 0.591 4.551 3.960 0.000 0.000 0.320 284 G HA3 0.591 4.551 3.960 0.000 0.000 0.320 284 G C -1.592 173.380 174.900 0.119 0.000 1.204 284 G CA -0.371 44.876 45.100 0.244 0.000 0.923 284 G HN 0.534 nan 8.290 nan 0.000 0.466 285 I N 1.195 121.737 120.570 -0.048 0.000 2.548 285 I HA 0.442 4.612 4.170 0.000 0.000 0.287 285 I C 0.029 176.124 176.117 -0.037 0.000 1.103 285 I CA -0.904 60.407 61.300 0.018 0.000 1.049 285 I CB 1.706 39.729 38.000 0.038 0.000 1.232 285 I HN 0.492 nan 8.210 nan 0.000 0.429 286 R N 7.600 128.144 120.500 0.073 0.000 2.543 286 R HA 0.251 4.591 4.340 0.000 0.000 0.277 286 R C -1.748 174.588 176.300 0.060 0.000 1.074 286 R CA -1.169 54.970 56.100 0.065 0.000 1.076 286 R CB 0.185 30.632 30.300 0.246 0.000 0.993 286 R HN 0.418 nan 8.270 nan 0.000 0.459 287 P HA -0.207 nan 4.420 nan 0.000 0.216 287 P C 0.228 177.506 177.300 -0.037 0.000 1.153 287 P CA 1.420 64.514 63.100 -0.010 0.000 0.858 287 P CB 0.274 31.930 31.700 -0.074 0.000 0.789 288 E N -2.081 118.035 120.200 -0.140 0.000 2.338 288 E HA -0.161 4.189 4.350 0.000 0.000 0.197 288 E C 1.502 177.984 176.600 -0.196 0.000 1.007 288 E CA 0.963 57.225 56.400 -0.230 0.000 0.849 288 E CB -0.887 28.616 29.700 -0.330 0.000 0.774 288 E HN 0.506 nan 8.360 nan 0.000 0.506 289 H N -0.366 118.747 119.070 0.072 0.000 2.551 289 H HA 0.218 4.774 4.556 0.000 0.000 0.271 289 H C 0.385 175.778 175.328 0.109 0.000 0.984 289 H CA -0.076 56.023 56.048 0.085 0.000 1.164 289 H CB 0.219 30.019 29.762 0.064 0.000 1.437 289 H HN 0.136 nan 8.280 nan 0.000 0.550 290 L N 1.593 122.975 121.223 0.265 0.000 2.452 290 L HA 0.131 4.471 4.340 0.000 0.000 0.267 290 L C 0.230 177.271 176.870 0.285 0.000 1.188 290 L CA -0.092 54.897 54.840 0.248 0.000 0.821 290 L CB 0.865 43.102 42.059 0.297 0.000 1.102 290 L HN -0.067 nan 8.230 nan 0.000 0.470 291 L N 3.363 124.667 121.223 0.134 0.000 2.344 291 L HA 0.343 4.683 4.340 0.000 0.000 0.272 291 L C -1.243 175.643 176.870 0.026 0.000 1.035 291 L CA -1.635 53.272 54.840 0.110 0.000 0.807 291 L CB 1.213 43.301 42.059 0.049 0.000 1.237 291 L HN 0.437 nan 8.230 nan 0.000 0.442 292 P HA -0.270 nan 4.420 nan 0.000 0.218 292 P C 0.855 178.068 177.300 -0.145 0.000 1.146 292 P CA 1.904 65.017 63.100 0.021 0.000 0.820 292 P CB 0.454 32.197 31.700 0.072 0.000 0.778 293 S N -2.326 113.301 115.700 -0.122 0.000 1.513 293 S HA -0.119 4.351 4.470 0.000 0.000 0.248 293 S C 1.070 175.610 174.600 -0.099 0.000 0.861 293 S CA 0.967 59.075 58.200 -0.153 0.000 1.179 293 S CB -2.438 60.604 63.200 -0.264 0.000 1.374 293 S HN 0.059 nan 8.310 nan 0.000 0.512 294 D N 1.551 121.909 120.400 -0.072 0.000 2.221 294 D HA 0.046 4.686 4.640 0.000 0.000 0.204 294 D C 0.849 177.129 176.300 -0.033 0.000 0.982 294 D CA 1.198 55.171 54.000 -0.045 0.000 0.857 294 D CB -0.205 40.581 40.800 -0.022 0.000 0.934 294 D HN 0.540 nan 8.370 nan 0.000 0.475 295 I N 1.595 122.146 120.570 -0.030 0.000 2.269 295 I HA 0.220 4.390 4.170 0.000 0.000 0.293 295 I C 1.155 177.253 176.117 -0.031 0.000 1.106 295 I CA -0.824 60.463 61.300 -0.020 0.000 1.248 295 I CB -0.246 37.750 38.000 -0.007 0.000 1.444 295 I HN -0.187 nan 8.210 nan 0.000 0.497 296 A N 5.678 128.481 122.820 -0.029 0.000 2.464 296 A HA 0.036 4.357 4.320 0.000 0.000 0.274 296 A C 0.064 177.633 177.584 -0.024 0.000 1.633 296 A CA 0.173 52.191 52.037 -0.031 0.000 1.015 296 A CB -0.351 18.634 19.000 -0.025 0.000 1.454 296 A HN 0.761 nan 8.150 nan 0.000 0.665 297 D N -2.335 118.055 120.400 -0.017 0.000 4.478 297 D HA 0.095 4.736 4.640 0.000 0.000 0.238 297 D C -0.460 175.832 176.300 -0.014 0.000 1.056 297 D CA 1.222 55.217 54.000 -0.009 0.000 1.245 297 D CB -1.483 39.315 40.800 -0.003 0.000 0.794 297 D HN 1.567 nan 8.370 nan 0.000 0.394 298 V N 1.152 121.058 119.914 -0.014 0.000 4.190 298 V HA -0.260 3.860 4.120 0.000 0.000 0.437 298 V C 0.139 176.214 176.094 -0.031 0.000 0.680 298 V CA 0.625 62.914 62.300 -0.018 0.000 1.799 298 V CB -0.901 30.915 31.823 -0.012 0.000 2.188 298 V HN 0.573 nan 8.190 nan 0.000 0.488 299 I N 5.106 125.653 120.570 -0.038 0.000 2.646 299 I HA 0.680 4.850 4.170 0.000 0.000 0.299 299 I C 0.095 176.181 176.117 -0.053 0.000 1.036 299 I CA -0.793 60.473 61.300 -0.057 0.000 1.074 299 I CB 2.023 39.983 38.000 -0.067 0.000 1.258 299 I HN 0.445 nan 8.210 nan 0.000 0.430 300 L N 4.290 125.474 121.223 -0.066 0.000 2.356 300 L HA 0.539 4.880 4.340 0.000 0.000 0.277 300 L C -0.269 176.564 176.870 -0.063 0.000 0.996 300 L CA -0.504 54.307 54.840 -0.048 0.000 0.822 300 L CB 2.374 44.413 42.059 -0.033 0.000 1.256 300 L HN 0.609 nan 8.230 nan 0.000 0.413 301 E N 1.638 121.813 120.200 -0.042 0.000 2.256 301 E HA 0.807 5.158 4.350 0.000 0.000 0.267 301 E C -0.779 175.823 176.600 0.002 0.000 0.892 301 E CA -0.513 55.865 56.400 -0.037 0.000 0.775 301 E CB 2.649 32.322 29.700 -0.045 0.000 1.207 301 E HN 0.722 nan 8.360 nan 0.000 0.420 302 G N 2.001 110.821 108.800 0.033 0.000 2.554 302 G HA2 0.183 4.144 3.960 0.000 0.000 0.306 302 G HA3 0.183 4.144 3.960 0.000 0.000 0.306 302 G C -1.570 173.373 174.900 0.073 0.000 1.320 302 G CA -0.737 44.392 45.100 0.049 0.000 0.800 302 G HN 0.535 nan 8.290 nan 0.000 0.481 303 E N 0.079 120.317 120.200 0.063 0.000 2.156 303 E HA 0.496 4.846 4.350 0.000 0.000 0.279 303 E C -0.364 176.275 176.600 0.065 0.000 0.965 303 E CA -0.598 55.840 56.400 0.062 0.000 0.789 303 E CB 1.681 31.406 29.700 0.043 0.000 1.098 303 E HN 0.240 nan 8.360 nan 0.000 0.397 304 V N 5.435 125.386 119.914 0.063 0.000 2.493 304 V HA -0.074 4.046 4.120 0.000 0.000 0.292 304 V C 0.968 177.080 176.094 0.029 0.000 1.016 304 V CA 0.204 62.527 62.300 0.038 0.000 1.097 304 V CB 0.949 32.772 31.823 -0.001 0.000 0.947 304 V HN 0.792 nan 8.190 nan 0.000 0.479 305 Q N 3.657 123.482 119.800 0.042 0.000 2.304 305 Q HA 0.256 4.596 4.340 0.000 0.000 0.204 305 Q C 0.047 176.038 176.000 -0.015 0.000 0.936 305 Q CA 0.757 56.576 55.803 0.027 0.000 0.878 305 Q CB 0.879 29.651 28.738 0.057 0.000 0.983 305 Q HN 0.624 nan 8.270 nan 0.000 0.516 306 V N 0.341 120.241 119.914 -0.024 0.000 2.888 306 V HA 0.493 4.613 4.120 0.000 0.000 0.309 306 V C -0.870 175.168 176.094 -0.092 0.000 1.114 306 V CA -0.878 61.347 62.300 -0.124 0.000 0.940 306 V CB 2.697 34.303 31.823 -0.362 0.000 1.021 306 V HN -0.211 nan 8.190 nan 0.000 0.426 307 V N 2.682 122.536 119.914 -0.100 0.000 2.525 307 V HA 0.464 4.584 4.120 0.000 0.000 0.299 307 V C -0.506 175.540 176.094 -0.080 0.000 1.034 307 V CA -0.523 61.730 62.300 -0.079 0.000 0.863 307 V CB 1.856 33.633 31.823 -0.077 0.000 0.999 307 V HN 0.958 nan 8.190 nan 0.000 0.423 308 E N 4.008 124.169 120.200 -0.065 0.000 2.102 308 E HA 0.354 4.704 4.350 0.000 0.000 0.263 308 E C -0.828 175.741 176.600 -0.051 0.000 0.894 308 E CA -0.684 55.680 56.400 -0.060 0.000 0.746 308 E CB 1.369 31.038 29.700 -0.052 0.000 1.129 308 E HN 0.518 nan 8.360 nan 0.000 0.416 309 Q N 2.922 122.693 119.800 -0.047 0.000 2.295 309 Q HA 0.200 4.540 4.340 0.000 0.000 0.259 309 Q C 0.460 176.437 176.000 -0.038 0.000 0.976 309 Q CA 0.192 55.970 55.803 -0.042 0.000 0.923 309 Q CB 1.166 29.883 28.738 -0.035 0.000 1.185 309 Q HN 0.635 nan 8.270 nan 0.000 0.410 310 L N 0.535 121.734 121.223 -0.039 0.000 3.069 310 L HA 0.239 4.579 4.340 0.000 0.000 0.271 310 L C 1.221 178.071 176.870 -0.034 0.000 1.201 310 L CA 0.185 55.003 54.840 -0.037 0.000 1.015 310 L CB 0.272 42.307 42.059 -0.041 0.000 1.371 310 L HN 0.913 nan 8.230 nan 0.000 0.574 311 G N 2.222 111.003 108.800 -0.031 0.000 4.148 311 G HA2 -0.440 3.520 3.960 0.000 0.000 0.221 311 G HA3 -0.440 3.520 3.960 0.000 0.000 0.221 311 G C 1.061 175.944 174.900 -0.029 0.000 1.373 311 G CA 0.703 45.787 45.100 -0.027 0.000 0.940 311 G HN 0.514 nan 8.290 nan 0.000 0.610 312 N N 2.651 121.330 118.700 -0.034 0.000 2.354 312 N HA 0.074 4.814 4.740 0.000 0.000 0.179 312 N C 0.796 176.279 175.510 -0.045 0.000 1.021 312 N CA 1.898 54.926 53.050 -0.037 0.000 0.887 312 N CB 0.022 38.485 38.487 -0.040 0.000 0.974 312 N HN 0.918 nan 8.380 nan 0.000 0.437 313 E N -1.146 119.023 120.200 -0.053 0.000 2.454 313 E HA 0.427 4.778 4.350 0.000 0.000 0.279 313 E C -1.617 174.941 176.600 -0.070 0.000 1.029 313 E CA -0.936 55.422 56.400 -0.069 0.000 0.831 313 E CB 1.282 30.929 29.700 -0.088 0.000 1.405 313 E HN -0.121 nan 8.360 nan 0.000 0.463 314 T N 1.094 115.593 114.554 -0.092 0.000 2.879 314 T HA 0.312 4.662 4.350 0.000 0.000 0.290 314 T C -0.957 173.675 174.700 -0.113 0.000 0.993 314 T CA -0.674 61.374 62.100 -0.086 0.000 0.975 314 T CB 1.409 70.232 68.868 -0.075 0.000 0.981 314 T HN 0.363 nan 8.240 nan 0.000 0.439 315 Q N 2.694 122.452 119.800 -0.069 0.000 2.340 315 Q HA 0.481 4.821 4.340 0.000 0.000 0.259 315 Q C -0.659 175.366 176.000 0.042 0.000 0.964 315 Q CA -0.747 55.037 55.803 -0.031 0.000 0.900 315 Q CB 1.224 29.973 28.738 0.018 0.000 1.228 315 Q HN 0.467 nan 8.270 nan 0.000 0.449 316 I N 3.094 123.698 120.570 0.056 0.000 2.362 316 I HA 0.247 4.418 4.170 0.000 0.000 0.289 316 I C -0.004 176.220 176.117 0.178 0.000 0.994 316 I CA -0.437 60.903 61.300 0.066 0.000 1.158 316 I CB 1.047 38.990 38.000 -0.095 0.000 1.315 316 I HN 0.559 nan 8.210 nan 0.000 0.451 317 H N 6.558 125.616 119.070 -0.020 0.000 2.604 317 H HA 0.488 5.044 4.556 0.000 0.000 0.306 317 H C -0.712 174.623 175.328 0.012 0.000 1.075 317 H CA -0.623 55.428 56.048 0.006 0.000 1.357 317 H CB 1.904 31.664 29.762 -0.003 0.000 1.426 317 H HN 0.335 nan 8.280 nan 0.000 0.470 318 I N 2.663 123.298 120.570 0.109 0.000 2.603 318 I HA 0.075 4.245 4.170 0.000 0.000 0.300 318 I C -0.062 176.097 176.117 0.071 0.000 1.017 318 I CA -0.760 60.595 61.300 0.092 0.000 1.098 318 I CB 1.930 39.995 38.000 0.109 0.000 1.279 318 I HN 0.415 nan 8.210 nan 0.000 0.437 319 Q N 4.449 124.288 119.800 0.065 0.000 2.398 319 Q HA 0.444 4.784 4.340 0.000 0.000 0.251 319 Q C -1.069 174.957 176.000 0.042 0.000 0.999 319 Q CA -0.701 55.132 55.803 0.050 0.000 0.874 319 Q CB 1.612 30.376 28.738 0.045 0.000 1.215 319 Q HN 0.450 nan 8.270 nan 0.000 0.470 320 I N 5.901 126.492 120.570 0.035 0.000 2.312 320 I HA 0.131 4.301 4.170 0.000 0.000 0.291 320 I C -1.472 174.658 176.117 0.021 0.000 1.031 320 I CA -2.006 59.309 61.300 0.026 0.000 1.293 320 I CB 1.286 39.298 38.000 0.020 0.000 1.403 320 I HN 0.379 nan 8.210 nan 0.000 0.484 321 P HA -0.197 nan 4.420 nan 0.000 0.219 321 P C 0.212 177.520 177.300 0.013 0.000 1.158 321 P CA 1.339 64.447 63.100 0.014 0.000 0.895 321 P CB 0.024 31.730 31.700 0.010 0.000 0.792 322 S N 0.441 116.148 115.700 0.011 0.000 3.232 322 S HA 0.121 4.591 4.470 0.000 0.000 0.298 322 S C 0.419 175.028 174.600 0.015 0.000 1.159 322 S CA 0.279 58.485 58.200 0.010 0.000 1.240 322 S CB -1.819 61.385 63.200 0.006 0.000 1.584 322 S HN 0.097 nan 8.310 nan 0.000 0.558 323 I N 1.481 122.061 120.570 0.016 0.000 8.455 323 I HA -0.278 3.892 4.170 0.000 0.000 0.126 323 I C 1.443 177.575 176.117 0.025 0.000 1.855 323 I CA -0.525 60.787 61.300 0.020 0.000 2.041 323 I CB -0.167 37.847 38.000 0.022 0.000 3.831 323 I HN 0.569 nan 8.210 nan 0.000 0.170 324 R N 6.079 126.594 120.500 0.025 0.000 2.635 324 R HA -0.283 4.058 4.340 0.000 0.000 0.184 324 R C 1.005 177.326 176.300 0.034 0.000 0.847 324 R CA 2.233 58.350 56.100 0.029 0.000 0.772 324 R CB -0.814 29.503 30.300 0.029 0.000 0.660 324 R HN 0.853 nan 8.270 nan 0.000 0.460 325 Q N -0.510 119.312 119.800 0.038 0.000 2.281 325 Q HA -0.264 4.076 4.340 0.000 0.000 0.148 325 Q C -0.441 175.580 176.000 0.036 0.000 1.069 325 Q CA 1.596 57.425 55.803 0.043 0.000 1.297 325 Q CB -2.063 26.703 28.738 0.047 0.000 1.268 325 Q HN 0.754 nan 8.270 nan 0.000 0.952 326 N N 0.290 119.010 118.700 0.035 0.000 2.473 326 N HA -0.170 4.570 4.740 0.000 0.000 0.298 326 N C -1.203 174.302 175.510 -0.009 0.000 1.390 326 N CA 0.701 53.769 53.050 0.030 0.000 0.659 326 N CB -0.293 38.225 38.487 0.051 0.000 0.968 326 N HN 0.330 nan 8.380 nan 0.000 0.508 327 L N 3.787 125.008 121.223 -0.005 0.000 2.313 327 L HA 0.394 4.734 4.340 0.000 0.000 0.282 327 L C -0.274 176.558 176.870 -0.064 0.000 1.092 327 L CA -0.285 54.541 54.840 -0.023 0.000 0.831 327 L CB 1.245 43.312 42.059 0.014 0.000 1.159 327 L HN 0.282 nan 8.230 nan 0.000 0.442 328 V N 6.347 126.178 119.914 -0.140 0.000 2.432 328 V HA 0.213 4.333 4.120 0.000 0.000 0.275 328 V C -0.638 175.457 176.094 0.002 0.000 1.043 328 V CA -0.486 61.682 62.300 -0.219 0.000 0.925 328 V CB 0.922 32.523 31.823 -0.369 0.000 0.985 328 V HN 0.619 nan 8.190 nan 0.000 0.466 329 Y N 6.016 126.265 120.300 -0.085 0.000 2.429 329 Y HA 0.677 5.228 4.550 0.001 0.000 0.342 329 Y C -0.020 175.867 175.900 -0.022 0.000 1.004 329 Y CA -1.325 56.764 58.100 -0.019 0.000 1.075 329 Y CB 1.528 40.021 38.460 0.056 0.000 1.214 329 Y HN 0.554 nan 8.280 nan 0.000 0.455 330 R N 5.054 125.140 120.500 -0.691 0.000 2.409 330 R HA 0.329 4.669 4.340 0.000 0.000 0.313 330 R C -1.316 174.485 176.300 -0.831 0.000 0.953 330 R CA -0.805 54.934 56.100 -0.601 0.000 0.849 330 R CB 1.927 32.044 30.300 -0.305 0.000 1.171 330 R HN 0.729 nan 8.270 nan 0.000 0.458 331 Q N 2.250 121.662 119.800 -0.646 0.000 2.365 331 Q HA 0.250 4.590 4.340 0.000 0.000 0.269 331 Q C -0.886 175.011 176.000 -0.172 0.000 1.061 331 Q CA -0.782 54.801 55.803 -0.367 0.000 0.816 331 Q CB 1.933 30.581 28.738 -0.150 0.000 1.325 331 Q HN 0.503 nan 8.270 nan 0.000 0.446 332 N N 2.591 121.232 118.700 -0.098 0.000 2.508 332 N HA 0.026 4.766 4.740 0.000 0.000 0.264 332 N C -0.399 175.089 175.510 -0.038 0.000 1.216 332 N CA 0.686 53.697 53.050 -0.065 0.000 0.943 332 N CB 0.590 39.050 38.487 -0.044 0.000 1.113 332 N HN 0.861 nan 8.380 nan 0.000 0.447 333 D N -0.094 120.284 120.400 -0.037 0.000 3.856 333 D HA -0.248 4.392 4.640 0.000 0.000 0.276 333 D C -1.142 175.144 176.300 -0.024 0.000 2.073 333 D CA 0.651 54.637 54.000 -0.024 0.000 1.163 333 D CB -0.298 40.496 40.800 -0.010 0.000 0.937 333 D HN 0.139 nan 8.370 nan 0.000 1.140 334 V N 0.310 120.216 119.914 -0.013 0.000 2.546 334 V HA 0.523 4.643 4.120 0.000 0.000 0.284 334 V C 0.236 176.332 176.094 0.003 0.000 1.050 334 V CA -0.462 61.831 62.300 -0.011 0.000 0.981 334 V CB 1.304 33.122 31.823 -0.008 0.000 0.990 334 V HN 0.409 nan 8.190 nan 0.000 0.474 335 V N 6.271 126.184 119.914 -0.002 0.000 2.443 335 V HA 0.381 4.502 4.120 0.000 0.000 0.293 335 V C -0.186 175.909 176.094 0.002 0.000 1.021 335 V CA -0.502 61.810 62.300 0.020 0.000 0.848 335 V CB 1.741 33.578 31.823 0.024 0.000 0.998 335 V HN 0.654 nan 8.190 nan 0.000 0.424 336 L N 6.607 127.844 121.223 0.024 0.000 2.356 336 L HA 0.516 4.856 4.340 0.000 0.000 0.282 336 L C -0.314 176.567 176.870 0.018 0.000 1.132 336 L CA -0.240 54.608 54.840 0.014 0.000 0.923 336 L CB 0.624 42.696 42.059 0.021 0.000 1.278 336 L HN 0.622 nan 8.230 nan 0.000 0.436 337 V N -0.815 119.088 119.914 -0.019 0.000 2.841 337 V HA 0.613 4.734 4.120 0.000 0.000 0.310 337 V C -0.550 175.524 176.094 -0.033 0.000 1.090 337 V CA -0.907 61.379 62.300 -0.023 0.000 0.930 337 V CB 2.376 34.132 31.823 -0.113 0.000 1.014 337 V HN 0.339 nan 8.190 nan 0.000 0.425 338 E N 1.692 121.886 120.200 -0.010 0.000 2.214 338 E HA 0.418 4.768 4.350 0.000 0.000 0.274 338 E C -0.384 176.209 176.600 -0.012 0.000 0.977 338 E CA -0.615 55.778 56.400 -0.012 0.000 0.827 338 E CB 1.812 31.512 29.700 0.001 0.000 1.130 338 E HN 0.856 nan 8.360 nan 0.000 0.394 339 E N 0.106 120.295 120.200 -0.018 0.000 2.437 339 E HA 0.203 4.553 4.350 0.000 0.000 0.263 339 E C 0.794 177.395 176.600 0.003 0.000 1.030 339 E CA 0.665 57.057 56.400 -0.013 0.000 0.934 339 E CB 0.254 29.943 29.700 -0.019 0.000 0.943 339 E HN 0.824 nan 8.360 nan 0.000 0.444 340 G N 1.248 110.055 108.800 0.012 0.000 2.241 340 G HA2 -0.325 3.636 3.960 0.000 0.000 0.244 340 G HA3 -0.325 3.636 3.960 0.000 0.000 0.244 340 G C 0.456 175.375 174.900 0.031 0.000 0.998 340 G CA 0.011 45.123 45.100 0.019 0.000 0.621 340 G HN 0.862 nan 8.290 nan 0.000 0.519 341 A N 0.457 123.300 122.820 0.038 0.000 2.346 341 A HA 0.660 4.980 4.320 0.000 0.000 0.252 341 A C 0.919 178.555 177.584 0.087 0.000 1.089 341 A CA 1.249 53.322 52.037 0.060 0.000 0.797 341 A CB 0.171 19.214 19.000 0.071 0.000 1.047 341 A HN 1.713 nan 8.150 nan 0.000 0.494 342 T N -0.628 113.982 114.554 0.094 0.000 2.743 342 T HA 0.571 4.922 4.350 0.000 0.000 0.292 342 T C -0.742 174.054 174.700 0.160 0.000 0.972 342 T CA -0.214 61.945 62.100 0.098 0.000 0.967 342 T CB 0.171 69.068 68.868 0.049 0.000 0.926 342 T HN 0.436 nan 8.240 nan 0.000 0.459 343 F N 2.397 122.337 119.950 -0.016 0.000 2.522 343 F HA 0.745 5.272 4.527 0.000 0.000 0.324 343 F C -0.354 175.409 175.800 -0.061 0.000 1.077 343 F CA -0.914 57.066 58.000 -0.033 0.000 0.944 343 F CB 1.661 40.647 39.000 -0.023 0.000 1.175 343 F HN 0.928 nan 8.300 nan 0.000 0.468 344 A N 4.838 127.292 122.820 -0.610 0.000 2.413 344 A HA 0.888 5.208 4.320 0.000 0.000 0.307 344 A C -1.533 175.698 177.584 -0.589 0.000 1.087 344 A CA -0.541 51.244 52.037 -0.421 0.000 0.750 344 A CB 1.231 20.052 19.000 -0.300 0.000 1.296 344 A HN 0.734 nan 8.150 nan 0.000 0.423 345 I N -1.566 118.797 120.570 -0.344 0.000 3.095 345 I HA 0.822 4.992 4.170 0.000 0.000 0.310 345 I C 0.192 176.196 176.117 -0.188 0.000 1.196 345 I CA -0.922 60.172 61.300 -0.343 0.000 0.985 345 I CB 1.606 39.365 38.000 -0.401 0.000 1.250 345 I HN 0.727 nan 8.210 nan 0.000 0.446 346 G N 2.571 111.289 108.800 -0.137 0.000 2.389 346 G HA2 0.629 4.589 3.960 0.000 0.000 0.328 346 G HA3 0.629 4.589 3.960 0.000 0.000 0.328 346 G C -1.247 173.636 174.900 -0.028 0.000 1.133 346 G CA -0.797 44.262 45.100 -0.068 0.000 0.891 346 G HN 0.780 nan 8.290 nan 0.000 0.485 347 L N 4.006 125.217 121.223 -0.019 0.000 2.277 347 L HA 0.390 4.730 4.340 0.000 0.000 0.284 347 L C -2.035 174.833 176.870 -0.004 0.000 1.028 347 L CA -2.108 52.731 54.840 -0.002 0.000 0.835 347 L CB 2.366 44.421 42.059 -0.006 0.000 1.215 347 L HN 0.317 nan 8.230 nan 0.000 0.425 348 P HA 0.290 nan 4.420 nan 0.000 0.291 348 P C -2.485 174.783 177.300 -0.054 0.000 1.340 348 P CA -1.736 61.350 63.100 -0.024 0.000 0.799 348 P CB 1.414 33.105 31.700 -0.015 0.000 0.917 349 P HA -0.214 nan 4.420 nan 0.000 0.215 349 P C 1.064 178.294 177.300 -0.117 0.000 1.157 349 P CA 1.785 64.854 63.100 -0.052 0.000 0.874 349 P CB -0.058 31.636 31.700 -0.012 0.000 0.790 350 E N -1.202 118.878 120.200 -0.199 0.000 2.396 350 E HA -0.164 4.186 4.350 0.000 0.000 0.200 350 E C 1.736 178.096 176.600 -0.399 0.000 1.023 350 E CA 0.915 57.078 56.400 -0.394 0.000 0.857 350 E CB -0.573 28.649 29.700 -0.796 0.000 0.775 350 E HN 0.104 nan 8.360 nan 0.000 0.525 351 R N -0.470 119.866 120.500 -0.273 0.000 2.334 351 R HA 0.245 4.585 4.340 0.000 0.000 0.212 351 R C -0.369 175.793 176.300 -0.231 0.000 0.897 351 R CA -0.173 55.757 56.100 -0.283 0.000 1.056 351 R CB -0.026 30.134 30.300 -0.232 0.000 1.046 351 R HN 0.135 nan 8.270 nan 0.000 0.513 352 C N 0.582 119.786 119.300 -0.160 0.000 2.595 352 C HA 0.323 4.783 4.460 0.000 0.000 0.384 352 C C 0.182 175.047 174.990 -0.208 0.000 1.289 352 C CA -0.434 58.538 59.018 -0.077 0.000 2.372 352 C CB 0.119 27.838 27.740 -0.035 0.000 2.593 352 C HN 0.462 nan 8.230 nan 0.000 0.639 353 H N 0.125 119.141 119.070 -0.091 0.000 2.670 353 H HA 0.779 5.335 4.556 0.000 0.000 0.361 353 H C -0.807 174.320 175.328 -0.336 0.000 1.169 353 H CA -0.590 55.326 56.048 -0.220 0.000 1.198 353 H CB 1.155 30.829 29.762 -0.145 0.000 1.700 353 H HN 0.438 nan 8.280 nan 0.000 0.542 354 L N 2.508 123.428 121.223 -0.506 0.000 2.439 354 L HA 0.472 4.812 4.340 0.000 0.000 0.270 354 L C -1.882 174.618 176.870 -0.618 0.000 0.972 354 L CA -0.370 54.237 54.840 -0.387 0.000 0.836 354 L CB 0.628 42.593 42.059 -0.157 0.000 1.255 354 L HN 0.484 nan 8.230 nan 0.000 0.404 355 F N 3.339 123.358 119.950 0.114 0.000 2.482 355 F HA 0.645 5.173 4.527 0.000 0.000 0.331 355 F C 0.606 176.432 175.800 0.044 0.000 1.115 355 F CA -0.794 57.253 58.000 0.078 0.000 0.955 355 F CB 1.415 40.451 39.000 0.061 0.000 1.136 355 F HN 0.305 nan 8.300 nan 0.000 0.452 356 R N 0.972 121.584 120.500 0.185 0.000 2.726 356 R HA 0.085 4.425 4.340 0.000 0.000 0.272 356 R C 1.299 177.663 176.300 0.105 0.000 1.097 356 R CA -0.518 55.647 56.100 0.109 0.000 1.198 356 R CB 0.481 30.828 30.300 0.080 0.000 1.114 356 R HN 0.813 nan 8.270 nan 0.000 0.550 357 E N 1.097 121.335 120.200 0.063 0.000 2.160 357 E HA -0.231 4.119 4.350 0.000 0.000 0.195 357 E C 0.814 177.433 176.600 0.031 0.000 0.991 357 E CA 1.706 58.130 56.400 0.040 0.000 0.810 357 E CB 0.044 29.759 29.700 0.025 0.000 0.742 357 E HN 0.610 nan 8.360 nan 0.000 0.466 358 D N -1.256 119.168 120.400 0.040 0.000 2.363 358 D HA -0.018 4.622 4.640 0.000 0.000 0.226 358 D C 1.305 177.627 176.300 0.038 0.000 1.020 358 D CA 0.904 54.922 54.000 0.029 0.000 0.892 358 D CB 0.079 40.897 40.800 0.030 0.000 0.900 358 D HN 0.346 nan 8.370 nan 0.000 0.531 359 G N 0.306 109.142 108.800 0.061 0.000 2.234 359 G HA2 -0.303 3.657 3.960 0.000 0.000 0.260 359 G HA3 -0.303 3.657 3.960 0.000 0.000 0.260 359 G C 0.570 175.572 174.900 0.170 0.000 0.987 359 G CA 0.683 45.820 45.100 0.061 0.000 0.625 359 G HN 0.807 nan 8.290 nan 0.000 0.532 360 T N -0.718 113.940 114.554 0.174 0.000 2.898 360 T HA 0.708 5.059 4.350 0.000 0.000 0.301 360 T C 0.502 175.383 174.700 0.302 0.000 1.049 360 T CA 0.582 62.808 62.100 0.210 0.000 1.095 360 T CB 1.967 70.909 68.868 0.123 0.000 0.976 360 T HN 1.737 nan 8.240 nan 0.000 0.539 361 A N 0.959 123.955 122.820 0.294 0.000 2.304 361 A HA 0.545 4.866 4.320 0.000 0.000 0.301 361 A C 0.299 177.901 177.584 0.029 0.000 1.132 361 A CA -0.951 51.172 52.037 0.143 0.000 0.819 361 A CB 0.288 19.412 19.000 0.207 0.000 1.094 361 A HN 1.045 nan 8.150 nan 0.000 0.492 362 C N 2.604 121.861 119.300 -0.072 0.000 2.192 362 C HA 0.433 4.893 4.460 0.000 0.000 0.337 362 C C 0.961 175.930 174.990 -0.035 0.000 1.103 362 C CA -0.584 58.411 59.018 -0.038 0.000 1.581 362 C CB -1.518 26.191 27.740 -0.052 0.000 2.070 362 C HN 0.967 nan 8.230 nan 0.000 0.485 363 R N 3.175 123.676 120.500 0.000 0.000 2.560 363 R HA -0.115 4.225 4.340 0.000 0.000 0.296 363 R C 0.204 176.501 176.300 -0.006 0.000 0.873 363 R CA 1.027 57.130 56.100 0.004 0.000 1.140 363 R CB 0.009 30.294 30.300 -0.026 0.000 0.875 363 R HN 0.672 nan 8.270 nan 0.000 0.419 364 R N 4.541 125.068 120.500 0.044 0.000 2.491 364 R HA 0.066 4.407 4.340 0.000 0.000 0.283 364 R C 0.660 176.985 176.300 0.041 0.000 1.072 364 R CA -0.115 56.018 56.100 0.056 0.000 1.048 364 R CB 0.466 30.846 30.300 0.133 0.000 0.983 364 R HN 0.668 nan 8.270 nan 0.000 0.450 365 L N 1.269 122.515 121.223 0.039 0.000 2.513 365 L HA 0.094 4.435 4.340 0.000 0.000 0.222 365 L C 0.716 177.615 176.870 0.049 0.000 1.096 365 L CA -0.081 54.767 54.840 0.013 0.000 0.857 365 L CB -0.152 41.911 42.059 0.006 0.000 1.026 365 L HN 0.597 nan 8.230 nan 0.000 0.469 366 H N 2.583 121.658 119.070 0.009 0.000 2.975 366 H HA 0.083 4.639 4.556 0.001 0.000 0.303 366 H C -0.016 175.342 175.328 0.049 0.000 1.023 366 H CA -0.205 55.846 56.048 0.006 0.000 1.473 366 H CB 0.468 30.214 29.762 -0.027 0.000 1.498 366 H HN -0.180 nan 8.280 nan 0.000 0.549 367 K N 4.971 125.099 120.400 -0.453 0.000 2.412 367 K HA 0.087 4.407 4.320 0.000 0.000 0.281 367 K C -0.055 176.307 176.600 -0.398 0.000 1.027 367 K CA -0.002 56.109 56.287 -0.294 0.000 0.989 367 K CB 0.591 32.953 32.500 -0.229 0.000 0.935 367 K HN 0.705 nan 8.250 nan 0.000 0.475 368 E N 3.454 123.552 120.200 -0.171 0.000 2.195 368 E HA 0.333 4.683 4.350 0.000 0.000 0.271 368 E C -2.214 174.262 176.600 -0.206 0.000 0.923 368 E CA -2.009 54.201 56.400 -0.317 0.000 0.790 368 E CB 1.656 30.854 29.700 -0.836 0.000 1.155 368 E HN 0.351 nan 8.360 nan 0.000 0.402 369 P HA 0.124 nan 4.420 nan 0.000 0.271 369 P C 0.538 177.886 177.300 0.079 0.000 1.216 369 P CA 0.239 63.337 63.100 -0.004 0.000 0.771 369 P CB 0.815 32.533 31.700 0.031 0.000 0.864 370 G N 1.173 110.026 108.800 0.088 0.000 2.176 370 G HA2 -0.151 3.809 3.960 0.000 0.000 0.232 370 G HA3 -0.151 3.809 3.960 0.000 0.000 0.232 370 G C -0.288 174.705 174.900 0.154 0.000 0.986 370 G CA -0.071 45.105 45.100 0.126 0.000 0.643 370 G HN 0.579 nan 8.290 nan 0.000 0.522 371 V N 0.961 120.968 119.914 0.155 0.000 2.531 371 V HA 0.809 4.929 4.120 0.000 0.000 0.301 371 V C 0.700 176.866 176.094 0.119 0.000 1.034 371 V CA -0.643 61.771 62.300 0.190 0.000 0.865 371 V CB 1.492 33.519 31.823 0.340 0.000 0.995 371 V HN 1.267 nan 8.190 nan 0.000 0.424 372 A N 4.144 127.020 122.820 0.093 0.000 2.520 372 A HA 0.613 4.933 4.320 0.000 0.000 0.245 372 A C 0.586 178.188 177.584 0.030 0.000 1.072 372 A CA 0.588 52.657 52.037 0.052 0.000 0.761 372 A CB 0.012 19.040 19.000 0.046 0.000 1.004 372 A HN 1.351 nan 8.150 nan 0.000 0.499 373 S N 0.991 116.694 115.700 0.004 0.000 2.651 373 S HA 0.867 5.337 4.470 0.000 0.000 0.279 373 S C -0.347 174.235 174.600 -0.031 0.000 1.148 373 S CA -0.209 57.973 58.200 -0.030 0.000 0.837 373 S CB 1.540 64.711 63.200 -0.048 0.000 1.138 373 S HN 1.979 nan 8.310 nan 0.000 0.478 374 A N 0.712 123.505 122.820 -0.044 0.000 2.299 374 A HA 0.973 5.293 4.320 0.000 0.000 0.332 374 A C 0.405 177.966 177.584 -0.038 0.000 1.131 374 A CA -0.037 51.980 52.037 -0.035 0.000 0.844 374 A CB 0.647 19.627 19.000 -0.033 0.000 1.251 374 A HN 2.395 nan 8.150 nan 0.000 0.486 375 S N 0.000 115.682 115.700 -0.029 0.000 2.498 375 S HA 0.000 4.470 4.470 0.000 0.000 0.327 375 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 375 S CB 0.000 63.179 63.200 -0.034 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517