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_B DATA FIRST_RESID 2 DATA SEQUENCE ASVQLQNVTK AWGEVVVSKD INLDIHEGEF VVFVGPSGCG KSTLLRMIAG DATA SEQUENCE LETITSGDLF IGEKRMNDTP PAERGVGMVF QSYALYPHLS 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 0.000 177.620 177.584 0.059 0.000 1.274 2 A CA 0.000 52.068 52.037 0.052 0.000 0.836 2 A CB 0.000 19.009 19.000 0.015 0.000 0.831 3 S N -1.026 114.734 115.700 0.099 0.000 2.994 3 S HA -0.030 4.425 4.470 -0.025 0.000 0.848 3 S C -0.567 174.109 174.600 0.127 0.000 0.929 3 S CA 0.514 58.795 58.200 0.135 0.000 1.388 3 S CB -1.033 62.260 63.200 0.154 0.000 1.001 3 S HN 1.761 nan 8.310 nan 0.000 0.347 4 V N 6.893 126.895 119.914 0.145 0.000 2.638 4 V HA 0.633 4.738 4.120 -0.025 0.000 0.306 4 V C 0.004 176.210 176.094 0.187 0.000 1.052 4 V CA -0.570 61.823 62.300 0.154 0.000 0.885 4 V CB 2.037 33.930 31.823 0.117 0.000 0.999 4 V HN 0.861 nan 8.190 nan 0.000 0.424 5 Q N 4.132 124.082 119.800 0.250 0.000 2.323 5 Q HA 0.682 5.007 4.340 -0.025 0.000 0.271 5 Q C -1.827 174.257 176.000 0.141 0.000 1.048 5 Q CA -0.829 55.082 55.803 0.181 0.000 0.792 5 Q CB 2.969 31.802 28.738 0.159 0.000 1.280 5 Q HN 0.495 nan 8.270 nan 0.000 0.441 6 L N 2.448 123.719 121.223 0.079 0.000 2.325 6 L HA 0.357 4.683 4.340 -0.025 0.000 0.281 6 L C -0.572 176.304 176.870 0.011 0.000 1.004 6 L CA -0.077 54.796 54.840 0.054 0.000 0.823 6 L CB 1.716 43.805 42.059 0.050 0.000 1.236 6 L HN 0.483 nan 8.230 nan 0.000 0.415 7 Q N 3.209 123.009 119.800 -0.000 0.000 2.381 7 Q HA 0.364 4.689 4.340 -0.025 0.000 0.263 7 Q C -0.360 175.627 176.000 -0.021 0.000 1.030 7 Q CA -0.577 55.212 55.803 -0.024 0.000 0.772 7 Q CB 0.930 29.641 28.738 -0.046 0.000 1.232 7 Q HN 0.619 nan 8.270 nan 0.000 0.476 8 N N -0.517 118.168 118.700 -0.026 0.000 2.721 8 N HA -0.179 4.546 4.740 -0.025 0.000 0.249 8 N C -0.697 174.795 175.510 -0.029 0.000 1.072 8 N CA 0.334 53.367 53.050 -0.029 0.000 0.710 8 N CB -1.109 37.361 38.487 -0.028 0.000 0.993 8 N HN 0.286 nan 8.380 nan 0.000 0.547 9 V N 0.165 120.064 119.914 -0.026 0.000 2.655 9 V HA 0.277 4.383 4.120 -0.025 0.000 0.300 9 V C 0.965 177.033 176.094 -0.043 0.000 1.044 9 V CA 0.468 62.752 62.300 -0.027 0.000 1.095 9 V CB 1.449 33.265 31.823 -0.011 0.000 0.952 9 V HN 0.287 nan 8.190 nan 0.000 0.485 10 T N 4.790 119.311 114.554 -0.055 0.000 2.933 10 T HA 0.519 4.854 4.350 -0.025 0.000 0.305 10 T C -0.893 173.743 174.700 -0.107 0.000 1.092 10 T CA -0.807 61.250 62.100 -0.072 0.000 1.008 10 T CB 1.846 70.674 68.868 -0.067 0.000 1.102 10 T HN 0.614 nan 8.240 nan 0.000 0.469 11 K N 1.671 121.993 120.400 -0.129 0.000 2.397 11 K HA 0.842 5.147 4.320 -0.025 0.000 0.253 11 K C -1.523 174.920 176.600 -0.261 0.000 0.932 11 K CA -0.617 55.532 56.287 -0.231 0.000 0.795 11 K CB 1.575 33.946 32.500 -0.215 0.000 1.159 11 K HN 0.750 nan 8.250 nan 0.000 0.424 12 A N 3.960 126.553 122.820 -0.379 0.000 2.374 12 A HA 0.621 4.927 4.320 -0.025 0.000 0.305 12 A C -1.806 175.547 177.584 -0.386 0.000 1.053 12 A CA -0.715 51.158 52.037 -0.273 0.000 0.726 12 A CB 0.548 19.462 19.000 -0.144 0.000 1.229 12 A HN 0.749 nan 8.150 nan 0.000 0.431 13 W N 3.077 124.371 121.300 -0.011 0.000 2.347 13 W HA 0.507 5.152 4.660 -0.025 0.000 0.321 13 W C 0.992 177.505 176.519 -0.010 0.000 0.971 13 W CA 0.811 58.150 57.345 -0.010 0.000 1.508 13 W CB 1.403 30.856 29.460 -0.011 0.000 1.299 13 W HN 1.553 nan 8.180 nan 0.000 0.399 14 G N 2.232 111.130 108.800 0.163 0.000 2.779 14 G HA2 -0.390 3.555 3.960 -0.025 0.000 0.284 14 G HA3 -0.390 3.555 3.960 -0.025 0.000 0.284 14 G C 0.911 175.844 174.900 0.055 0.000 1.326 14 G CA 0.679 45.840 45.100 0.101 0.000 0.983 14 G HN 0.575 nan 8.290 nan 0.000 0.555 15 E N 0.090 120.323 120.200 0.055 0.000 2.562 15 E HA 0.450 4.785 4.350 -0.025 0.000 0.214 15 E C 1.123 177.742 176.600 0.032 0.000 0.979 15 E CA 0.411 56.829 56.400 0.030 0.000 1.002 15 E CB 0.654 30.367 29.700 0.022 0.000 1.048 15 E HN 1.365 nan 8.360 nan 0.000 0.488 16 V N -0.213 119.738 119.914 0.062 0.000 2.743 16 V HA 0.482 4.587 4.120 -0.025 0.000 0.301 16 V C -0.069 176.057 176.094 0.055 0.000 1.057 16 V CA -0.774 61.563 62.300 0.062 0.000 1.006 16 V CB 1.761 33.639 31.823 0.091 0.000 1.024 16 V HN -0.010 nan 8.190 nan 0.000 0.473 17 V N 5.548 125.480 119.914 0.030 0.000 2.350 17 V HA 0.294 4.399 4.120 -0.025 0.000 0.285 17 V C 0.913 177.021 176.094 0.024 0.000 1.014 17 V CA 0.226 62.529 62.300 0.005 0.000 0.831 17 V CB 1.053 32.863 31.823 -0.022 0.000 1.000 17 V HN 1.040 nan 8.190 nan 0.000 0.433 18 V N 1.627 121.573 119.914 0.053 0.000 2.878 18 V HA 0.249 4.354 4.120 -0.025 0.000 0.250 18 V C 0.745 176.850 176.094 0.018 0.000 1.075 18 V CA 0.754 63.100 62.300 0.078 0.000 1.096 18 V CB 0.411 32.355 31.823 0.202 0.000 0.724 18 V HN 0.637 nan 8.190 nan 0.000 0.467 19 S N 1.191 116.882 115.700 -0.015 0.000 2.707 19 S HA 0.566 5.021 4.470 -0.025 0.000 0.303 19 S C -0.739 173.827 174.600 -0.056 0.000 1.132 19 S CA -0.734 57.442 58.200 -0.041 0.000 1.046 19 S CB 1.325 64.501 63.200 -0.039 0.000 1.004 19 S HN 0.573 nan 8.310 nan 0.000 0.483 20 K N 1.798 122.161 120.400 -0.062 0.000 2.316 20 K HA 0.293 4.598 4.320 -0.025 0.000 0.267 20 K C -0.646 175.918 176.600 -0.059 0.000 1.025 20 K CA -0.723 55.529 56.287 -0.059 0.000 0.896 20 K CB 0.903 33.368 32.500 -0.058 0.000 1.124 20 K HN 0.668 nan 8.250 nan 0.000 0.451 21 D N 2.839 123.208 120.400 -0.052 0.000 2.779 21 D HA -0.210 4.415 4.640 -0.025 0.000 0.223 21 D C -0.387 175.883 176.300 -0.051 0.000 1.227 21 D CA 0.400 54.372 54.000 -0.047 0.000 0.653 21 D CB -0.796 39.979 40.800 -0.040 0.000 0.973 21 D HN 0.630 nan 8.370 nan 0.000 0.402 22 I N -1.500 119.035 120.570 -0.058 0.000 2.441 22 I HA 0.367 4.522 4.170 -0.025 0.000 0.287 22 I C -0.451 175.635 176.117 -0.052 0.000 1.049 22 I CA -0.415 60.844 61.300 -0.070 0.000 1.381 22 I CB 0.985 38.924 38.000 -0.102 0.000 1.409 22 I HN -0.005 nan 8.210 nan 0.000 0.523 23 N N 7.430 126.100 118.700 -0.049 0.000 2.483 23 N HA 0.528 5.253 4.740 -0.025 0.000 0.267 23 N C -1.457 174.037 175.510 -0.027 0.000 0.998 23 N CA -0.412 52.619 53.050 -0.031 0.000 0.918 23 N CB 2.058 40.530 38.487 -0.026 0.000 1.215 23 N HN 0.438 nan 8.380 nan 0.000 0.500 24 L N 1.518 122.735 121.223 -0.011 0.000 2.422 24 L HA 0.389 4.714 4.340 -0.025 0.000 0.264 24 L C -0.577 176.301 176.870 0.014 0.000 0.984 24 L CA -0.541 54.302 54.840 0.004 0.000 0.819 24 L CB 2.056 44.130 42.059 0.024 0.000 1.330 24 L HN 0.357 nan 8.230 nan 0.000 0.410 25 D N 3.213 123.603 120.400 -0.016 0.000 2.420 25 D HA 0.355 4.980 4.640 -0.025 0.000 0.255 25 D C -1.020 175.141 176.300 -0.231 0.000 1.185 25 D CA -0.269 53.696 54.000 -0.060 0.000 0.904 25 D CB 0.689 41.474 40.800 -0.025 0.000 1.102 25 D HN 0.123 nan 8.370 nan 0.000 0.534 26 I N 4.653 125.156 120.570 -0.110 0.000 2.304 26 I HA 0.192 4.347 4.170 -0.025 0.000 0.291 26 I C 0.759 176.829 176.117 -0.079 0.000 1.018 26 I CA -0.547 60.682 61.300 -0.118 0.000 1.260 26 I CB 0.508 38.535 38.000 0.046 0.000 1.390 26 I HN 0.335 nan 8.210 nan 0.000 0.475 27 H N 4.397 123.540 119.070 0.121 0.000 2.546 27 H HA 0.267 4.808 4.556 -0.025 0.000 0.365 27 H C 0.297 175.691 175.328 0.111 0.000 1.220 27 H CA -0.562 55.552 56.048 0.111 0.000 1.386 27 H CB 0.862 30.684 29.762 0.100 0.000 1.510 27 H HN 0.406 nan 8.280 nan 0.000 0.591 28 E N 0.467 120.812 120.200 0.241 0.000 2.502 28 E HA -0.006 4.329 4.350 -0.025 0.000 0.261 28 E C 1.097 177.795 176.600 0.164 0.000 0.974 28 E CA 1.028 57.525 56.400 0.162 0.000 0.936 28 E CB 0.468 30.238 29.700 0.117 0.000 0.926 28 E HN 0.935 nan 8.360 nan 0.000 0.459 29 G N 3.684 112.578 108.800 0.156 0.000 2.220 29 G HA2 -0.364 3.581 3.960 -0.025 0.000 0.269 29 G HA3 -0.364 3.581 3.960 -0.025 0.000 0.269 29 G C 0.425 175.508 174.900 0.306 0.000 0.977 29 G CA 0.783 45.987 45.100 0.175 0.000 0.634 29 G HN 0.555 nan 8.290 nan 0.000 0.539 30 E N -0.356 120.001 120.200 0.260 0.000 2.392 30 E HA 0.420 4.755 4.350 -0.025 0.000 0.264 30 E C -0.648 176.084 176.600 0.219 0.000 1.024 30 E CA -0.751 55.808 56.400 0.266 0.000 0.903 30 E CB 0.193 30.012 29.700 0.198 0.000 0.963 30 E HN 0.124 nan 8.360 nan 0.000 0.432 31 F N 5.197 125.129 119.950 -0.029 0.000 2.332 31 F HA 0.292 4.808 4.527 -0.019 0.000 0.368 31 F C -0.977 174.754 175.800 -0.115 0.000 1.110 31 F CA -0.803 57.022 58.000 -0.292 0.000 1.087 31 F CB 0.544 39.104 39.000 -0.733 0.000 1.235 31 F HN 0.080 nan 8.300 nan 0.000 0.470 32 V N 6.510 126.589 119.914 0.275 0.000 2.513 32 V HA 0.546 4.651 4.120 -0.025 0.000 0.299 32 V C -0.604 175.638 176.094 0.246 0.000 1.035 32 V CA -0.817 61.626 62.300 0.238 0.000 0.889 32 V CB 1.864 33.793 31.823 0.176 0.000 0.988 32 V HN 0.431 nan 8.190 nan 0.000 0.440 33 V N 4.969 125.046 119.914 0.272 0.000 2.540 33 V HA 0.487 4.593 4.120 -0.025 0.000 0.302 33 V C -0.500 175.865 176.094 0.452 0.000 1.035 33 V CA -0.521 61.955 62.300 0.293 0.000 0.873 33 V CB 1.783 33.738 31.823 0.220 0.000 0.992 33 V HN 0.673 nan 8.190 nan 0.000 0.428 34 F N 4.037 124.098 119.950 0.185 0.000 2.405 34 F HA 0.599 5.110 4.527 -0.025 0.000 0.355 34 F C 0.008 175.898 175.800 0.150 0.000 1.121 34 F CA -0.928 57.152 58.000 0.133 0.000 1.112 34 F CB 1.702 40.766 39.000 0.107 0.000 1.126 34 F HN 0.217 nan 8.300 nan 0.000 0.481 35 V N 2.203 122.299 119.914 0.303 0.000 2.680 35 V HA 0.974 5.079 4.120 -0.025 0.000 0.309 35 V C 0.020 176.139 176.094 0.042 0.000 1.052 35 V CA -0.707 61.749 62.300 0.261 0.000 0.908 35 V CB 1.475 33.511 31.823 0.354 0.000 1.001 35 V HN 0.961 nan 8.190 nan 0.000 0.431 36 G N 3.347 112.165 108.800 0.029 0.000 2.387 36 G HA2 0.576 4.522 3.960 -0.025 0.000 0.294 36 G HA3 0.576 4.522 3.960 -0.025 0.000 0.294 36 G C -3.507 171.463 174.900 0.117 0.000 1.509 36 G CA -0.752 44.202 45.100 -0.244 0.000 0.806 36 G HN 0.545 nan 8.290 nan 0.000 0.546 37 P HA 0.181 nan 4.420 nan 0.000 0.273 37 P C 1.438 178.857 177.300 0.199 0.000 1.250 37 P CA 0.741 64.036 63.100 0.326 0.000 0.793 37 P CB 1.054 32.953 31.700 0.331 0.000 1.011 38 S N 1.253 117.046 115.700 0.154 0.000 1.736 38 S HA -0.264 4.191 4.470 -0.025 0.000 0.536 38 S C 1.554 176.204 174.600 0.084 0.000 0.915 38 S CA 1.575 59.826 58.200 0.085 0.000 3.375 38 S CB -2.398 60.830 63.200 0.046 0.000 2.348 38 S HN 0.775 nan 8.310 nan 0.000 0.574 39 G N 0.397 109.228 108.800 0.053 0.000 3.581 39 G HA2 0.352 4.297 3.960 -0.025 0.000 0.255 39 G HA3 0.352 4.297 3.960 -0.025 0.000 0.255 39 G C 0.974 175.893 174.900 0.033 0.000 1.121 39 G CA 0.104 45.228 45.100 0.040 0.000 1.739 39 G HN 1.187 nan 8.290 nan 0.000 0.646 40 C N -1.660 117.663 119.300 0.039 0.000 2.522 40 C HA 0.493 4.938 4.460 -0.025 0.000 0.271 40 C C 1.964 176.955 174.990 0.001 0.000 1.425 40 C CA 0.112 59.127 59.018 -0.004 0.000 1.751 40 C CB -0.738 26.989 27.740 -0.022 0.000 1.775 40 C HN 1.142 nan 8.230 nan 0.000 0.557 41 G N 0.580 109.405 108.800 0.042 0.000 2.154 41 G HA2 -0.187 3.758 3.960 -0.025 0.000 0.186 41 G HA3 -0.187 3.758 3.960 -0.025 0.000 0.186 41 G C 0.744 175.698 174.900 0.091 0.000 1.000 41 G CA 0.271 45.406 45.100 0.058 0.000 0.664 41 G HN 0.540 nan 8.290 nan 0.000 0.513 42 K N 0.680 121.153 120.400 0.122 0.000 2.009 42 K HA -0.043 4.262 4.320 -0.025 0.000 0.210 42 K C 2.633 179.355 176.600 0.203 0.000 1.049 42 K CA 1.786 58.199 56.287 0.210 0.000 0.929 42 K CB -0.288 32.343 32.500 0.218 0.000 0.714 42 K HN 0.298 nan 8.250 nan 0.000 0.440 43 S N 0.587 116.366 115.700 0.131 0.000 2.368 43 S HA -0.135 4.320 4.470 -0.025 0.000 0.225 43 S C 2.076 176.743 174.600 0.111 0.000 1.030 43 S CA 1.710 59.966 58.200 0.093 0.000 0.999 43 S CB -0.427 62.794 63.200 0.034 0.000 0.844 43 S HN 0.334 nan 8.310 nan 0.000 0.459 44 T N 2.892 117.523 114.554 0.128 0.000 2.720 44 T HA -0.030 4.305 4.350 -0.025 0.000 0.268 44 T C 1.723 176.510 174.700 0.145 0.000 1.037 44 T CA 1.003 63.197 62.100 0.158 0.000 1.144 44 T CB -0.458 68.526 68.868 0.193 0.000 0.864 44 T HN 0.228 nan 8.240 nan 0.000 0.444 45 L N 0.281 121.601 121.223 0.162 0.000 1.989 45 L HA -0.087 4.238 4.340 -0.025 0.000 0.211 45 L C 2.567 179.572 176.870 0.224 0.000 1.071 45 L CA 1.310 56.270 54.840 0.199 0.000 0.749 45 L CB -0.533 41.695 42.059 0.282 0.000 0.890 45 L HN 0.272 nan 8.230 nan 0.000 0.431 46 L N -0.629 120.727 121.223 0.223 0.000 2.013 46 L HA -0.274 4.051 4.340 -0.025 0.000 0.212 46 L C 2.916 179.856 176.870 0.116 0.000 1.073 46 L CA 1.468 56.391 54.840 0.138 0.000 0.753 46 L CB -0.529 41.582 42.059 0.086 0.000 0.890 46 L HN 0.302 nan 8.230 nan 0.000 0.432 47 R N -0.563 120.005 120.500 0.113 0.000 2.096 47 R HA -0.168 4.158 4.340 -0.025 0.000 0.235 47 R C 2.219 178.577 176.300 0.097 0.000 1.127 47 R CA 1.367 57.529 56.100 0.103 0.000 0.968 47 R CB -0.366 29.997 30.300 0.104 0.000 0.861 47 R HN 0.417 nan 8.270 nan 0.000 0.440 48 M N 0.213 119.871 119.600 0.097 0.000 2.175 48 M HA -0.121 4.344 4.480 -0.025 0.000 0.264 48 M C 2.090 178.434 176.300 0.073 0.000 1.063 48 M CA 1.252 56.595 55.300 0.071 0.000 1.119 48 M CB -0.155 32.478 32.600 0.056 0.000 1.377 48 M HN 0.071 nan 8.290 nan 0.000 0.415 49 I N 0.297 120.923 120.570 0.093 0.000 2.315 49 I HA -0.156 3.999 4.170 -0.025 0.000 0.248 49 I C 2.607 178.762 176.117 0.065 0.000 1.117 49 I CA 1.322 62.674 61.300 0.086 0.000 1.404 49 I CB -1.527 36.535 38.000 0.102 0.000 1.071 49 I HN 0.190 nan 8.210 nan 0.000 0.419 50 A N -0.032 122.829 122.820 0.069 0.000 2.016 50 A HA 0.229 4.534 4.320 -0.025 0.000 0.217 50 A C 1.994 179.614 177.584 0.060 0.000 1.162 50 A CA 1.317 53.392 52.037 0.063 0.000 0.662 50 A CB -0.551 18.499 19.000 0.084 0.000 0.812 50 A HN 0.552 nan 8.150 nan 0.000 0.450 51 G N -1.613 107.224 108.800 0.061 0.000 2.144 51 G HA2 -0.192 3.753 3.960 -0.025 0.000 0.218 51 G HA3 -0.192 3.753 3.960 -0.025 0.000 0.218 51 G C 0.549 175.486 174.900 0.063 0.000 0.988 51 G CA 0.285 45.417 45.100 0.053 0.000 0.659 51 G HN 0.451 nan 8.290 nan 0.000 0.522 52 L N -0.393 120.876 121.223 0.078 0.000 2.612 52 L HA 0.387 4.712 4.340 -0.025 0.000 0.230 52 L C 0.516 177.445 176.870 0.098 0.000 1.140 52 L CA 0.449 55.341 54.840 0.086 0.000 0.896 52 L CB 0.045 42.161 42.059 0.095 0.000 1.065 52 L HN 0.132 nan 8.230 nan 0.000 0.447 53 E N -0.242 120.012 120.200 0.090 0.000 2.375 53 E HA 0.277 4.612 4.350 -0.025 0.000 0.280 53 E C -0.717 175.901 176.600 0.030 0.000 0.972 53 E CA -0.299 56.161 56.400 0.099 0.000 0.782 53 E CB 2.154 31.941 29.700 0.144 0.000 1.229 53 E HN -0.073 nan 8.360 nan 0.000 0.439 54 T N -1.224 113.314 114.554 -0.026 0.000 2.909 54 T HA 0.661 4.996 4.350 -0.025 0.000 0.286 54 T C 0.764 175.399 174.700 -0.108 0.000 1.002 54 T CA -0.651 61.414 62.100 -0.059 0.000 1.074 54 T CB 0.465 69.291 68.868 -0.070 0.000 0.984 54 T HN 0.335 nan 8.240 nan 0.000 0.495 55 I N 3.354 123.880 120.570 -0.072 0.000 2.281 55 I HA 0.148 4.303 4.170 -0.025 0.000 0.293 55 I C 2.016 178.077 176.117 -0.095 0.000 1.085 55 I CA -0.633 60.621 61.300 -0.077 0.000 1.257 55 I CB 0.916 38.896 38.000 -0.032 0.000 1.430 55 I HN 1.003 nan 8.210 nan 0.000 0.489 56 T N 1.111 115.580 114.554 -0.143 0.000 2.946 56 T HA -0.094 4.241 4.350 -0.025 0.000 0.271 56 T C 0.666 175.314 174.700 -0.085 0.000 1.104 56 T CA 0.964 62.985 62.100 -0.132 0.000 1.114 56 T CB -0.002 68.761 68.868 -0.175 0.000 0.867 56 T HN 0.593 nan 8.240 nan 0.000 0.513 57 S N -1.491 114.167 115.700 -0.071 0.000 2.580 57 S HA 0.538 4.993 4.470 -0.025 0.000 0.281 57 S C -0.265 174.313 174.600 -0.037 0.000 1.129 57 S CA 0.285 58.456 58.200 -0.049 0.000 0.862 57 S CB 0.967 64.137 63.200 -0.050 0.000 1.090 57 S HN 1.807 nan 8.310 nan 0.000 0.451 58 G N 2.637 111.423 108.800 -0.024 0.000 2.661 58 G HA2 0.106 4.051 3.960 -0.025 0.000 0.685 58 G HA3 0.106 4.051 3.960 -0.025 0.000 0.685 58 G C -1.850 173.050 174.900 -0.000 0.000 1.298 58 G CA -0.244 44.846 45.100 -0.016 0.000 0.855 58 G HN 0.893 nan 8.290 nan 0.000 0.560 59 D N -0.398 120.008 120.400 0.010 0.000 2.481 59 D HA 0.571 5.196 4.640 -0.025 0.000 0.244 59 D C -0.509 175.832 176.300 0.068 0.000 1.057 59 D CA -0.455 53.569 54.000 0.039 0.000 0.848 59 D CB 2.607 43.431 40.800 0.040 0.000 1.388 59 D HN 0.516 nan 8.370 nan 0.000 0.475 60 L N 1.521 122.807 121.223 0.104 0.000 2.346 60 L HA 0.663 4.989 4.340 -0.025 0.000 0.274 60 L C -1.761 175.251 176.870 0.237 0.000 1.007 60 L CA -0.691 54.233 54.840 0.139 0.000 0.818 60 L CB 1.614 43.729 42.059 0.093 0.000 1.284 60 L HN 0.359 nan 8.230 nan 0.000 0.424 61 F N 5.975 125.943 119.950 0.029 0.000 2.828 61 F HA 0.570 5.082 4.527 -0.025 0.000 0.355 61 F C -1.326 174.495 175.800 0.035 0.000 1.200 61 F CA -0.522 57.496 58.000 0.029 0.000 1.062 61 F CB 0.927 39.944 39.000 0.030 0.000 1.351 61 F HN 0.351 nan 8.300 nan 0.000 0.504 62 I N 7.076 127.555 120.570 -0.151 0.000 2.307 62 I HA 0.501 4.656 4.170 -0.025 0.000 0.289 62 I C 0.853 176.801 176.117 -0.281 0.000 1.021 62 I CA 0.372 61.595 61.300 -0.129 0.000 1.224 62 I CB 0.882 38.844 38.000 -0.063 0.000 1.376 62 I HN 0.912 nan 8.210 nan 0.000 0.470 63 G N 5.235 113.897 108.800 -0.231 0.000 5.353 63 G HA2 -0.243 3.702 3.960 -0.025 0.000 0.283 63 G HA3 -0.243 3.702 3.960 -0.025 0.000 0.283 63 G C 0.704 175.352 174.900 -0.420 0.000 1.457 63 G CA 0.231 45.198 45.100 -0.221 0.000 0.951 63 G HN 0.519 nan 8.290 nan 0.000 0.731 64 E N -0.148 119.602 120.200 -0.751 0.000 2.534 64 E HA 0.172 4.507 4.350 -0.025 0.000 0.179 64 E C -0.167 175.914 176.600 -0.864 0.000 0.916 64 E CA 0.254 56.123 56.400 -0.884 0.000 1.354 64 E CB 0.758 30.355 29.700 -0.172 0.000 1.321 64 E HN 0.446 nan 8.360 nan 0.000 0.663 65 K N 0.870 120.845 120.400 -0.708 0.000 2.207 65 K HA 0.384 4.689 4.320 -0.025 0.000 0.255 65 K C -0.087 176.387 176.600 -0.211 0.000 0.941 65 K CA -0.560 55.543 56.287 -0.307 0.000 0.825 65 K CB 1.851 34.253 32.500 -0.164 0.000 1.119 65 K HN -0.162 nan 8.250 nan 0.000 0.430 66 R N 3.225 123.735 120.500 0.017 0.000 2.343 66 R HA 0.053 4.378 4.340 -0.025 0.000 0.326 66 R C 0.272 176.592 176.300 0.033 0.000 1.055 66 R CA 0.103 56.263 56.100 0.100 0.000 0.961 66 R CB 0.285 30.659 30.300 0.124 0.000 0.978 66 R HN 0.573 nan 8.270 nan 0.000 0.443 67 M N 2.781 122.399 119.600 0.030 0.000 2.541 67 M HA -0.012 4.453 4.480 -0.025 0.000 0.252 67 M C 0.891 177.207 176.300 0.026 0.000 1.125 67 M CA 0.516 55.824 55.300 0.015 0.000 1.091 67 M CB -0.754 31.850 32.600 0.008 0.000 1.420 67 M HN 0.570 nan 8.290 nan 0.000 0.486 68 N N 1.830 120.553 118.700 0.038 0.000 2.103 68 N HA -0.188 4.537 4.740 -0.025 0.000 0.200 68 N C 0.185 175.706 175.510 0.018 0.000 1.016 68 N CA 1.547 54.614 53.050 0.027 0.000 0.890 68 N CB -0.217 38.286 38.487 0.025 0.000 1.075 68 N HN 0.338 nan 8.380 nan 0.000 0.506 69 D N 0.340 120.750 120.400 0.017 0.000 2.518 69 D HA 0.235 4.860 4.640 -0.025 0.000 0.230 69 D C -0.653 175.654 176.300 0.011 0.000 1.138 69 D CA 0.316 54.323 54.000 0.013 0.000 0.964 69 D CB 0.437 41.243 40.800 0.011 0.000 1.011 69 D HN 0.076 nan 8.370 nan 0.000 0.517 70 T N 1.975 116.536 114.554 0.012 0.000 3.105 70 T HA 0.273 4.609 4.350 -0.025 0.000 0.321 70 T C -2.688 172.020 174.700 0.014 0.000 1.135 70 T CA -1.102 61.003 62.100 0.009 0.000 1.053 70 T CB 2.820 71.689 68.868 0.002 0.000 1.133 70 T HN 0.044 nan 8.240 nan 0.000 0.463 71 P HA 0.175 nan 4.420 nan 0.000 0.265 71 P C -2.243 175.070 177.300 0.022 0.000 1.193 71 P CA -1.048 62.064 63.100 0.020 0.000 0.765 71 P CB 0.548 32.259 31.700 0.018 0.000 0.823 72 P HA -0.253 nan 4.420 nan 0.000 0.218 72 P C 1.407 178.725 177.300 0.031 0.000 1.154 72 P CA 2.476 65.600 63.100 0.039 0.000 0.872 72 P CB -0.385 31.349 31.700 0.057 0.000 0.790 73 A N -0.785 122.054 122.820 0.032 0.000 2.168 73 A HA -0.130 4.175 4.320 -0.025 0.000 0.215 73 A C 1.542 179.128 177.584 0.005 0.000 1.152 73 A CA 1.128 53.179 52.037 0.024 0.000 0.716 73 A CB -0.773 18.246 19.000 0.031 0.000 0.794 73 A HN 0.266 nan 8.150 nan 0.000 0.465 74 E N -0.918 119.283 120.200 0.002 0.000 2.499 74 E HA 0.133 4.468 4.350 -0.025 0.000 0.199 74 E C 1.052 177.642 176.600 -0.017 0.000 1.016 74 E CA -0.255 56.139 56.400 -0.009 0.000 0.933 74 E CB 0.334 30.029 29.700 -0.007 0.000 1.050 74 E HN 0.491 nan 8.360 nan 0.000 0.462 75 R N -0.162 120.329 120.500 -0.016 0.000 2.265 75 R HA 0.112 4.437 4.340 -0.025 0.000 0.194 75 R C 1.035 177.312 176.300 -0.038 0.000 0.931 75 R CA 0.570 56.656 56.100 -0.023 0.000 1.032 75 R CB 0.628 30.923 30.300 -0.009 0.000 0.980 75 R HN 0.206 nan 8.270 nan 0.000 0.497 76 G N 1.693 110.467 108.800 -0.044 0.000 2.149 76 G HA2 -0.242 3.703 3.960 -0.025 0.000 0.235 76 G HA3 -0.242 3.703 3.960 -0.025 0.000 0.235 76 G C 0.022 174.870 174.900 -0.086 0.000 1.018 76 G CA 0.264 45.326 45.100 -0.064 0.000 0.728 76 G HN 0.275 nan 8.290 nan 0.000 0.508 77 V N -2.073 117.795 119.914 -0.076 0.000 2.715 77 V HA 1.035 5.140 4.120 -0.025 0.000 0.310 77 V C 0.441 176.465 176.094 -0.118 0.000 1.054 77 V CA -0.196 62.045 62.300 -0.097 0.000 0.928 77 V CB 2.169 33.966 31.823 -0.042 0.000 1.007 77 V HN 1.411 nan 8.190 nan 0.000 0.437 78 G N 3.491 112.178 108.800 -0.190 0.000 2.495 78 G HA2 0.706 4.651 3.960 -0.025 0.000 0.318 78 G HA3 0.706 4.651 3.960 -0.025 0.000 0.318 78 G C -1.167 173.668 174.900 -0.108 0.000 1.257 78 G CA -0.824 44.166 45.100 -0.182 0.000 0.962 78 G HN 1.148 nan 8.290 nan 0.000 0.483 79 M N 2.540 122.108 119.600 -0.054 0.000 2.501 79 M HA 0.749 5.214 4.480 -0.025 0.000 0.293 79 M C -1.751 174.481 176.300 -0.113 0.000 1.192 79 M CA -0.950 54.344 55.300 -0.010 0.000 0.886 79 M CB 2.588 35.247 32.600 0.098 0.000 1.710 79 M HN 0.622 nan 8.290 nan 0.000 0.457 80 V N 5.324 125.171 119.914 -0.112 0.000 2.971 80 V HA 0.856 4.961 4.120 -0.025 0.000 0.309 80 V C -1.807 174.264 176.094 -0.039 0.000 1.130 80 V CA -0.351 61.753 62.300 -0.326 0.000 0.964 80 V CB 2.147 33.765 31.823 -0.341 0.000 1.029 80 V HN 0.965 nan 8.190 nan 0.000 0.427 81 F N 2.509 122.513 119.950 0.089 0.000 2.980 81 F HA 0.683 5.195 4.527 -0.025 0.000 0.335 81 F C 0.854 176.714 175.800 0.100 0.000 1.210 81 F CA -0.820 57.233 58.000 0.088 0.000 0.986 81 F CB -0.035 39.032 39.000 0.112 0.000 1.469 81 F HN 0.487 nan 8.300 nan 0.000 0.519 82 Q N 0.834 120.939 119.800 0.508 0.000 1.799 82 Q HA -0.211 4.115 4.340 -0.025 0.000 0.504 82 Q C 0.182 176.330 176.000 0.246 0.000 1.005 82 Q CA 2.333 58.320 55.803 0.307 0.000 0.861 82 Q CB -1.381 27.504 28.738 0.246 0.000 0.931 82 Q HN 0.691 nan 8.270 nan 0.000 0.432 83 S N 0.231 116.084 115.700 0.254 0.000 2.468 83 S HA 0.296 4.751 4.470 -0.025 0.000 0.190 83 S C -0.600 174.097 174.600 0.162 0.000 1.445 83 S CA -0.445 57.848 58.200 0.156 0.000 1.084 83 S CB -0.192 63.069 63.200 0.103 0.000 1.175 83 S HN 0.256 nan 8.310 nan 0.000 0.484 84 Y N 2.612 122.879 120.300 -0.055 0.000 2.578 84 Y HA 0.276 4.811 4.550 -0.024 0.000 0.339 84 Y C 0.619 176.424 175.900 -0.158 0.000 1.231 84 Y CA 0.147 58.116 58.100 -0.218 0.000 1.461 84 Y CB 0.396 38.609 38.460 -0.413 0.000 1.323 84 Y HN 0.586 nan 8.280 nan 0.000 0.590 85 A N 6.581 129.244 122.820 -0.262 0.000 2.305 85 A HA 0.614 4.919 4.320 -0.025 0.000 0.322 85 A C -0.985 176.467 177.584 -0.222 0.000 1.187 85 A CA -0.751 51.173 52.037 -0.189 0.000 0.825 85 A CB 0.289 19.165 19.000 -0.207 0.000 1.164 85 A HN 0.801 nan 8.150 nan 0.000 0.498 86 L N 0.732 121.851 121.223 -0.174 0.000 2.448 86 L HA 0.350 4.675 4.340 -0.025 0.000 0.258 86 L C -0.624 176.082 176.870 -0.272 0.000 1.104 86 L CA -0.786 53.883 54.840 -0.285 0.000 0.800 86 L CB 0.511 42.478 42.059 -0.153 0.000 1.241 86 L HN 0.693 nan 8.230 nan 0.000 0.472 87 Y N 0.458 120.695 120.300 -0.104 0.000 2.539 87 Y HA 0.105 4.640 4.550 -0.024 0.000 0.352 87 Y C -1.511 174.374 175.900 -0.025 0.000 1.004 87 Y CA -1.696 56.369 58.100 -0.058 0.000 1.278 87 Y CB 0.286 38.661 38.460 -0.142 0.000 1.136 87 Y HN 0.421 nan 8.280 nan 0.000 0.528 88 P HA -0.278 nan 4.420 nan 0.000 0.217 88 P C 1.265 178.638 177.300 0.121 0.000 1.148 88 P CA 1.823 64.987 63.100 0.107 0.000 0.828 88 P CB 0.041 31.799 31.700 0.095 0.000 0.783 89 H N -2.247 116.857 119.070 0.056 0.000 2.548 89 H HA 0.089 4.630 4.556 -0.024 0.000 0.268 89 H C 0.457 175.816 175.328 0.051 0.000 0.975 89 H CA 0.266 56.339 56.048 0.041 0.000 1.195 89 H CB -0.571 29.208 29.762 0.028 0.000 1.397 89 H HN 0.062 nan 8.280 nan 0.000 0.572 90 L N 2.652 123.582 121.223 -0.488 0.000 2.343 90 L HA 0.218 4.543 4.340 -0.025 0.000 0.275 90 L C 0.576 177.375 176.870 -0.119 0.000 1.056 90 L CA -0.463 54.163 54.840 -0.358 0.000 0.804 90 L CB 1.765 43.644 42.059 -0.301 0.000 1.203 90 L HN 0.339 nan 8.230 nan 0.000 0.440 91 S N 1.180 116.837 115.700 -0.071 0.000 2.645 91 S HA 0.353 4.808 4.470 -0.025 0.000 0.266 91 S C 1.341 175.925 174.600 -0.026 0.000 1.258 91 S CA -0.720 57.458 58.200 -0.038 0.000 0.990 91 S CB 0.930 64.115 63.200 -0.026 0.000 0.967 91 S HN 0.312 nan 8.310 nan 0.000 0.556 92 V N 1.516 121.412 119.914 -0.030 0.000 2.252 92 V HA -0.254 3.851 4.120 -0.025 0.000 0.249 92 V C 3.000 179.087 176.094 -0.012 0.000 1.056 92 V CA 2.600 64.882 62.300 -0.030 0.000 1.022 92 V CB -1.839 29.956 31.823 -0.048 0.000 0.641 92 V HN 1.026 nan 8.190 nan 0.000 0.445 93 A N -0.750 122.064 122.820 -0.010 0.000 1.883 93 A HA -0.290 4.015 4.320 -0.025 0.000 0.217 93 A C 2.192 179.792 177.584 0.027 0.000 1.186 93 A CA 2.172 54.212 52.037 0.005 0.000 0.624 93 A CB -0.585 18.416 19.000 0.001 0.000 0.822 93 A HN 0.637 nan 8.150 nan 0.000 0.444 94 E N -0.202 120.014 120.200 0.026 0.000 2.051 94 E HA -0.150 4.185 4.350 -0.025 0.000 0.192 94 E C 0.354 177.026 176.600 0.120 0.000 0.991 94 E CA 0.904 57.340 56.400 0.059 0.000 0.799 94 E CB -0.177 29.535 29.700 0.021 0.000 0.748 94 E HN 0.633 nan 8.360 nan 0.000 0.449 95 N N -0.134 118.611 118.700 0.075 0.000 2.819 95 N HA 0.119 4.844 4.740 -0.025 0.000 0.284 95 N C 0.116 175.661 175.510 0.059 0.000 1.196 95 N CA 0.221 53.318 53.050 0.078 0.000 1.114 95 N CB 0.303 38.781 38.487 -0.015 0.000 1.437 95 N HN 0.108 nan 8.380 nan 0.000 0.518 96 M N -1.306 118.362 119.600 0.113 0.000 1.456 96 M HA -0.134 4.331 4.480 -0.025 0.000 0.248 96 M C 0.784 177.135 176.300 0.085 0.000 0.846 96 M CA 0.248 55.587 55.300 0.067 0.000 0.938 96 M CB -0.209 32.409 32.600 0.030 0.000 1.944 96 M HN 0.365 nan 8.290 nan 0.000 0.778 97 S N 0.061 115.821 115.700 0.100 0.000 2.535 97 S HA 0.102 4.558 4.470 -0.025 0.000 0.214 97 S C 1.293 175.938 174.600 0.074 0.000 0.980 97 S CA -0.156 58.083 58.200 0.064 0.000 0.907 97 S CB -0.391 62.832 63.200 0.037 0.000 0.790 97 S HN 0.450 nan 8.310 nan 0.000 0.510 98 F N 3.490 123.468 119.950 0.046 0.000 2.043 98 F HA -0.068 4.444 4.527 -0.025 0.000 0.297 98 F C 2.322 178.161 175.800 0.065 0.000 1.118 98 F CA 2.022 60.072 58.000 0.082 0.000 1.202 98 F CB -0.978 38.150 39.000 0.212 0.000 0.965 98 F HN 0.319 nan 8.300 nan 0.000 0.482 99 G N -0.354 108.517 108.800 0.119 0.000 2.421 99 G HA2 -0.220 3.726 3.960 -0.025 0.000 0.217 99 G HA3 -0.220 3.726 3.960 -0.025 0.000 0.217 99 G C 1.441 176.281 174.900 -0.100 0.000 1.143 99 G CA 0.712 45.811 45.100 -0.002 0.000 0.784 99 G HN 0.421 nan 8.290 nan 0.000 0.541 100 L N 0.042 121.226 121.223 -0.065 0.000 2.376 100 L HA 0.253 4.578 4.340 -0.025 0.000 0.219 100 L C 2.399 179.208 176.870 -0.101 0.000 1.133 100 L CA 1.353 56.153 54.840 -0.067 0.000 0.816 100 L CB -0.219 41.821 42.059 -0.032 0.000 0.933 100 L HN 0.094 nan 8.230 nan 0.000 0.449 101 K N -1.014 119.288 120.400 -0.164 0.000 2.067 101 K HA 0.041 4.346 4.320 -0.025 0.000 0.203 101 K C 1.893 178.370 176.600 -0.205 0.000 1.048 101 K CA 1.044 57.221 56.287 -0.184 0.000 0.954 101 K CB -0.104 32.262 32.500 -0.223 0.000 0.737 101 K HN 0.292 nan 8.250 nan 0.000 0.444 102 L N 0.493 121.542 121.223 -0.291 0.000 2.353 102 L HA -0.093 4.232 4.340 -0.025 0.000 0.220 102 L C 2.041 178.833 176.870 -0.131 0.000 1.133 102 L CA 0.545 55.252 54.840 -0.222 0.000 0.798 102 L CB -0.339 41.565 42.059 -0.257 0.000 0.922 102 L HN 0.163 nan 8.230 nan 0.000 0.445 103 A N 0.057 122.806 122.820 -0.120 0.000 2.251 103 A HA 0.366 4.671 4.320 -0.025 0.000 0.209 103 A C 1.285 178.828 177.584 -0.069 0.000 1.187 103 A CA 0.500 52.489 52.037 -0.081 0.000 0.823 103 A CB -0.464 18.492 19.000 -0.074 0.000 0.846 103 A HN 0.408 nan 8.150 nan 0.000 0.486 104 G N -1.051 107.703 108.800 -0.077 0.000 3.320 104 G HA2 0.376 4.321 3.960 -0.025 0.000 0.430 104 G HA3 0.376 4.321 3.960 -0.025 0.000 0.430 104 G C -0.219 174.651 174.900 -0.049 0.000 0.806 104 G CA 0.064 45.128 45.100 -0.060 0.000 0.746 104 G HN 1.850 nan 8.290 nan 0.000 0.414 105 A N 3.024 125.817 122.820 -0.045 0.000 2.574 105 A HA 0.827 5.132 4.320 -0.025 0.000 0.297 105 A C -0.025 177.543 177.584 -0.027 0.000 1.062 105 A CA -0.715 51.301 52.037 -0.034 0.000 0.686 105 A CB 1.189 20.168 19.000 -0.035 0.000 1.285 105 A HN 0.890 nan 8.150 nan 0.000 0.403 106 K N 1.341 121.729 120.400 -0.020 0.000 2.412 106 K HA 0.099 4.404 4.320 -0.025 0.000 0.281 106 K C 0.867 177.459 176.600 -0.013 0.000 1.027 106 K CA -0.109 56.169 56.287 -0.015 0.000 0.989 106 K CB 0.975 33.468 32.500 -0.012 0.000 0.935 106 K HN 0.719 nan 8.250 nan 0.000 0.475 107 K N 2.633 123.026 120.400 -0.012 0.000 2.160 107 K HA -0.276 4.029 4.320 -0.025 0.000 0.206 107 K C 1.692 178.289 176.600 -0.005 0.000 1.047 107 K CA 1.681 57.962 56.287 -0.009 0.000 0.930 107 K CB 0.121 32.616 32.500 -0.008 0.000 0.720 107 K HN 0.606 nan 8.250 nan 0.000 0.450 108 E N -0.063 120.134 120.200 -0.005 0.000 2.038 108 E HA -0.209 4.126 4.350 -0.025 0.000 0.195 108 E C 1.747 178.347 176.600 -0.001 0.000 1.000 108 E CA 1.898 58.297 56.400 -0.002 0.000 0.803 108 E CB 0.090 29.789 29.700 -0.002 0.000 0.750 108 E HN 0.139 nan 8.360 nan 0.000 0.448 109 V N 1.689 121.602 119.914 -0.003 0.000 2.261 109 V HA -0.285 3.820 4.120 -0.025 0.000 0.246 109 V C 2.518 178.612 176.094 0.000 0.000 1.047 109 V CA 1.445 63.744 62.300 -0.001 0.000 1.015 109 V CB -0.619 31.201 31.823 -0.004 0.000 0.642 109 V HN 0.343 nan 8.190 nan 0.000 0.446 110 I N 1.267 121.834 120.570 -0.004 0.000 2.091 110 I HA -0.332 3.824 4.170 -0.025 0.000 0.240 110 I C 2.333 178.452 176.117 0.004 0.000 1.046 110 I CA 2.448 63.746 61.300 -0.003 0.000 1.306 110 I CB -1.618 36.377 38.000 -0.008 0.000 1.018 110 I HN 0.424 nan 8.210 nan 0.000 0.404 111 N N 0.546 119.248 118.700 0.003 0.000 2.120 111 N HA -0.237 4.488 4.740 -0.025 0.000 0.188 111 N C 1.789 177.304 175.510 0.008 0.000 1.024 111 N CA 1.298 54.352 53.050 0.006 0.000 0.852 111 N CB -0.403 38.087 38.487 0.005 0.000 1.003 111 N HN 0.468 nan 8.380 nan 0.000 0.424 112 Q N 1.240 121.044 119.800 0.007 0.000 2.029 112 Q HA -0.255 4.070 4.340 -0.025 0.000 0.209 112 Q C 1.841 177.848 176.000 0.013 0.000 0.999 112 Q CA 1.712 57.521 55.803 0.009 0.000 0.857 112 Q CB -0.066 28.677 28.738 0.008 0.000 0.926 112 Q HN 0.367 nan 8.270 nan 0.000 0.415 113 R N -0.247 120.262 120.500 0.014 0.000 2.070 113 R HA -0.110 4.215 4.340 -0.025 0.000 0.233 113 R C 2.530 178.842 176.300 0.021 0.000 1.137 113 R CA 1.550 57.662 56.100 0.020 0.000 0.945 113 R CB -0.569 29.744 30.300 0.022 0.000 0.845 113 R HN 0.181 nan 8.270 nan 0.000 0.430 114 V N 2.149 122.074 119.914 0.018 0.000 2.231 114 V HA -0.346 3.759 4.120 -0.025 0.000 0.250 114 V C 1.685 177.789 176.094 0.017 0.000 1.058 114 V CA 2.374 64.685 62.300 0.018 0.000 1.022 114 V CB -0.814 31.018 31.823 0.015 0.000 0.640 114 V HN 0.438 nan 8.190 nan 0.000 0.445 115 N N -0.508 118.201 118.700 0.015 0.000 2.149 115 N HA -0.248 4.477 4.740 -0.025 0.000 0.188 115 N C 1.971 177.493 175.510 0.019 0.000 1.019 115 N CA 1.331 54.391 53.050 0.017 0.000 0.857 115 N CB -0.208 38.288 38.487 0.014 0.000 0.997 115 N HN 0.527 nan 8.380 nan 0.000 0.426 116 Q N 1.159 120.970 119.800 0.018 0.000 1.967 116 Q HA -0.116 4.210 4.340 -0.025 0.000 0.202 116 Q C 2.052 178.065 176.000 0.020 0.000 0.985 116 Q CA 1.458 57.272 55.803 0.018 0.000 0.839 116 Q CB -0.296 28.453 28.738 0.018 0.000 0.906 116 Q HN 0.237 nan 8.270 nan 0.000 0.423 117 V N 1.692 121.620 119.914 0.023 0.000 2.568 117 V HA -0.277 3.828 4.120 -0.025 0.000 0.253 117 V C 2.482 178.589 176.094 0.022 0.000 1.072 117 V CA 1.656 63.970 62.300 0.024 0.000 1.084 117 V CB -1.231 30.608 31.823 0.028 0.000 0.676 117 V HN 0.449 nan 8.190 nan 0.000 0.469 118 A N -0.300 122.533 122.820 0.023 0.000 1.841 118 A HA -0.171 4.134 4.320 -0.025 0.000 0.214 118 A C 1.812 179.419 177.584 0.037 0.000 1.195 118 A CA 1.119 53.172 52.037 0.027 0.000 0.611 118 A CB -0.321 18.694 19.000 0.025 0.000 0.835 118 A HN 0.527 nan 8.150 nan 0.000 0.443 119 E N 0.137 120.357 120.200 0.033 0.000 1.972 119 E HA 0.362 4.698 4.350 -0.025 0.000 0.292 119 E C -0.353 176.262 176.600 0.024 0.000 1.193 119 E CA 0.039 56.459 56.400 0.032 0.000 1.228 119 E CB -0.033 29.683 29.700 0.026 0.000 1.167 119 E HN 0.197 nan 8.360 nan 0.000 0.479 120 V N 2.993 122.923 119.914 0.026 0.000 4.573 120 V HA -0.141 3.964 4.120 -0.025 0.000 0.157 120 V C 1.088 177.196 176.094 0.022 0.000 1.413 120 V CA -0.107 62.204 62.300 0.019 0.000 0.833 120 V CB -0.187 31.646 31.823 0.017 0.000 0.926 120 V HN 0.495 nan 8.190 nan 0.000 0.613 121 L N 1.259 122.497 121.223 0.026 0.000 2.612 121 L HA 0.266 4.591 4.340 -0.025 0.000 0.230 121 L C 0.376 177.271 176.870 0.041 0.000 1.140 121 L CA 0.663 55.519 54.840 0.028 0.000 0.896 121 L CB -0.358 41.714 42.059 0.022 0.000 1.065 121 L HN 0.575 nan 8.230 nan 0.000 0.447 122 Q N 0.303 120.133 119.800 0.050 0.000 2.456 122 Q HA -0.183 4.142 4.340 -0.025 0.000 0.325 122 Q C 0.239 176.328 176.000 0.148 0.000 1.453 122 Q CA 0.243 56.092 55.803 0.077 0.000 0.848 122 Q CB -1.376 27.395 28.738 0.056 0.000 1.123 122 Q HN 0.525 nan 8.270 nan 0.000 0.374 123 L N -2.435 118.873 121.223 0.141 0.000 3.406 123 L HA 0.255 4.580 4.340 -0.025 0.000 0.309 123 L C 2.030 178.943 176.870 0.073 0.000 1.159 123 L CA 0.475 55.376 54.840 0.101 0.000 1.122 123 L CB -0.134 41.932 42.059 0.013 0.000 1.633 123 L HN 0.371 nan 8.230 nan 0.000 0.607 124 A N 1.367 124.259 122.820 0.120 0.000 1.985 124 A HA -0.298 4.008 4.320 -0.025 0.000 0.223 124 A C 2.061 179.698 177.584 0.088 0.000 1.189 124 A CA 2.515 54.603 52.037 0.085 0.000 0.658 124 A CB -1.001 18.049 19.000 0.084 0.000 0.820 124 A HN 0.705 nan 8.150 nan 0.000 0.464 125 H N -0.914 118.157 119.070 0.003 0.000 2.559 125 H HA 0.181 4.722 4.556 -0.024 0.000 0.273 125 H C 0.571 175.900 175.328 0.003 0.000 1.000 125 H CA 1.191 57.240 56.048 0.003 0.000 1.195 125 H CB -0.382 29.382 29.762 0.002 0.000 1.368 125 H HN 0.541 nan 8.280 nan 0.000 0.592 126 L N -1.810 119.135 121.223 -0.464 0.000 3.366 126 L HA 0.306 4.631 4.340 -0.025 0.000 0.304 126 L C 1.436 178.203 176.870 -0.172 0.000 1.292 126 L CA -0.286 54.346 54.840 -0.348 0.000 1.012 126 L CB -0.471 41.290 42.059 -0.497 0.000 1.414 126 L HN -0.061 nan 8.230 nan 0.000 0.603 127 L N -0.442 120.717 121.223 -0.107 0.000 2.043 127 L HA -0.097 4.229 4.340 -0.025 0.000 0.212 127 L C 0.481 177.323 176.870 -0.046 0.000 1.075 127 L CA 1.414 56.220 54.840 -0.057 0.000 0.752 127 L CB -0.171 41.872 42.059 -0.028 0.000 0.891 127 L HN 0.439 nan 8.230 nan 0.000 0.432 128 D N 1.197 121.572 120.400 -0.042 0.000 2.393 128 D HA 0.320 4.945 4.640 -0.025 0.000 0.232 128 D C -0.137 176.141 176.300 -0.037 0.000 1.192 128 D CA 0.285 54.268 54.000 -0.029 0.000 0.882 128 D CB 0.793 41.582 40.800 -0.018 0.000 1.038 128 D HN 0.126 nan 8.370 nan 0.000 0.499 129 R N 1.516 121.995 120.500 -0.035 0.000 3.791 129 R HA -0.011 4.314 4.340 -0.025 0.000 0.261 129 R C -1.163 175.119 176.300 -0.030 0.000 0.979 129 R CA -0.772 55.307 56.100 -0.034 0.000 1.020 129 R CB 0.855 31.124 30.300 -0.053 0.000 1.256 129 R HN 0.063 nan 8.270 nan 0.000 0.563 130 K N 3.097 123.485 120.400 -0.020 0.000 2.168 130 K HA 0.209 4.514 4.320 -0.025 0.000 0.258 130 K C -1.723 174.866 176.600 -0.019 0.000 1.010 130 K CA -1.767 54.510 56.287 -0.016 0.000 0.929 130 K CB 0.729 33.228 32.500 -0.002 0.000 0.998 130 K HN 0.396 nan 8.250 nan 0.000 0.479 131 P HA -0.144 nan 4.420 nan 0.000 0.227 131 P C -0.116 177.176 177.300 -0.013 0.000 1.145 131 P CA 1.123 64.210 63.100 -0.021 0.000 0.769 131 P CB 0.208 31.894 31.700 -0.024 0.000 0.769 132 K N 0.559 120.955 120.400 -0.007 0.000 3.216 132 K HA 0.290 4.595 4.320 -0.025 0.000 0.277 132 K C 0.631 177.228 176.600 -0.006 0.000 1.246 132 K CA -0.167 56.118 56.287 -0.003 0.000 1.227 132 K CB -0.199 32.303 32.500 0.002 0.000 1.487 132 K HN 0.014 nan 8.250 nan 0.000 0.341 133 A N 1.865 124.679 122.820 -0.011 0.000 2.827 133 A HA 0.231 4.536 4.320 -0.025 0.000 0.300 133 A C 0.567 178.148 177.584 -0.004 0.000 1.237 133 A CA -0.429 51.600 52.037 -0.014 0.000 0.964 133 A CB -0.350 18.631 19.000 -0.031 0.000 1.143 133 A HN 0.579 nan 8.150 nan 0.000 0.554 134 L N -1.476 119.747 121.223 0.001 0.000 7.039 134 L HA -0.499 3.826 4.340 -0.025 0.000 0.061 134 L C 1.953 178.828 176.870 0.008 0.000 1.415 134 L CA 1.878 56.721 54.840 0.006 0.000 1.678 134 L CB -1.258 40.807 42.059 0.010 0.000 2.698 134 L HN 1.328 nan 8.230 nan 0.000 1.079 135 S N -3.490 112.217 115.700 0.012 0.000 2.105 135 S HA -0.268 4.187 4.470 -0.025 0.000 0.242 135 S C 1.541 176.151 174.600 0.017 0.000 1.128 135 S CA 1.661 59.871 58.200 0.017 0.000 1.482 135 S CB -2.281 60.932 63.200 0.022 0.000 1.865 135 S HN 2.677 nan 8.310 nan 0.000 0.577 136 G N 1.731 110.539 108.800 0.013 0.000 3.122 136 G HA2 -0.347 3.598 3.960 -0.025 0.000 0.231 136 G HA3 -0.347 3.598 3.960 -0.025 0.000 0.231 136 G C 1.729 176.640 174.900 0.019 0.000 1.188 136 G CA 1.667 46.776 45.100 0.016 0.000 0.977 136 G HN 2.006 nan 8.290 nan 0.000 0.589 137 G N -0.467 108.346 108.800 0.021 0.000 2.471 137 G HA2 0.088 4.033 3.960 -0.025 0.000 0.219 137 G HA3 0.088 4.033 3.960 -0.025 0.000 0.219 137 G C 1.640 176.552 174.900 0.020 0.000 1.125 137 G CA 1.534 46.648 45.100 0.023 0.000 0.775 137 G HN 0.621 nan 8.290 nan 0.000 0.548 138 Q N -0.601 119.209 119.800 0.016 0.000 2.204 138 Q HA 0.159 4.485 4.340 -0.025 0.000 0.198 138 Q C 2.733 178.730 176.000 -0.003 0.000 0.946 138 Q CA 0.044 55.854 55.803 0.011 0.000 0.859 138 Q CB 0.046 28.791 28.738 0.012 0.000 0.946 138 Q HN 0.315 nan 8.270 nan 0.000 0.474 139 R N 0.498 120.995 120.500 -0.005 0.000 2.096 139 R HA -0.164 4.162 4.340 -0.025 0.000 0.235 139 R C 2.237 178.528 176.300 -0.016 0.000 1.127 139 R CA 1.273 57.364 56.100 -0.014 0.000 0.968 139 R CB -0.057 30.238 30.300 -0.009 0.000 0.861 139 R HN 0.124 nan 8.270 nan 0.000 0.440 140 Q N 0.979 120.778 119.800 -0.002 0.000 2.124 140 Q HA -0.129 4.196 4.340 -0.025 0.000 0.202 140 Q C 1.784 177.767 176.000 -0.028 0.000 0.977 140 Q CA 1.655 57.455 55.803 -0.005 0.000 0.850 140 Q CB -0.050 28.698 28.738 0.017 0.000 0.901 140 Q HN 0.130 nan 8.270 nan 0.000 0.429 141 R N -1.251 119.241 120.500 -0.014 0.000 2.115 141 R HA -0.034 4.291 4.340 -0.025 0.000 0.230 141 R C 2.159 178.440 176.300 -0.032 0.000 1.111 141 R CA 1.148 57.239 56.100 -0.014 0.000 0.976 141 R CB -0.105 30.198 30.300 0.005 0.000 0.870 141 R HN 0.140 nan 8.270 nan 0.000 0.445 142 V N 0.526 120.417 119.914 -0.039 0.000 2.358 142 V HA -0.217 3.888 4.120 -0.025 0.000 0.246 142 V C 2.342 178.380 176.094 -0.092 0.000 1.047 142 V CA 1.908 64.177 62.300 -0.052 0.000 1.035 142 V CB -0.686 31.108 31.823 -0.049 0.000 0.658 142 V HN 0.416 nan 8.190 nan 0.000 0.452 143 A N 0.240 122.986 122.820 -0.125 0.000 1.908 143 A HA -0.190 4.115 4.320 -0.025 0.000 0.218 143 A C 2.177 179.578 177.584 -0.304 0.000 1.181 143 A CA 1.956 53.834 52.037 -0.266 0.000 0.627 143 A CB -0.491 18.346 19.000 -0.272 0.000 0.818 143 A HN 0.420 nan 8.150 nan 0.000 0.445 144 I N -0.300 120.161 120.570 -0.182 0.000 2.202 144 I HA -0.168 3.988 4.170 -0.025 0.000 0.242 144 I C 2.772 178.851 176.117 -0.064 0.000 1.091 144 I CA 1.498 62.724 61.300 -0.122 0.000 1.368 144 I CB -1.944 36.023 38.000 -0.056 0.000 1.058 144 I HN 0.377 nan 8.210 nan 0.000 0.410 145 G N 1.176 109.950 108.800 -0.044 0.000 2.505 145 G HA2 -0.364 3.581 3.960 -0.025 0.000 0.220 145 G HA3 -0.364 3.581 3.960 -0.025 0.000 0.220 145 G C 1.820 176.718 174.900 -0.004 0.000 1.145 145 G CA 1.357 46.451 45.100 -0.010 0.000 0.761 145 G HN 0.316 nan 8.290 nan 0.000 0.571 146 R N 0.092 120.567 120.500 -0.041 0.000 2.122 146 R HA -0.124 4.201 4.340 -0.025 0.000 0.236 146 R C 2.642 178.934 176.300 -0.013 0.000 1.129 146 R CA 2.561 58.649 56.100 -0.020 0.000 0.925 146 R CB -1.142 29.118 30.300 -0.067 0.000 0.850 146 R HN 0.277 nan 8.270 nan 0.000 0.431 147 T N 1.422 115.943 114.554 -0.055 0.000 2.759 147 T HA -0.113 4.222 4.350 -0.025 0.000 0.269 147 T C 1.741 176.516 174.700 0.126 0.000 1.042 147 T CA 1.625 63.712 62.100 -0.022 0.000 1.140 147 T CB -0.166 68.684 68.868 -0.030 0.000 0.864 147 T HN 0.178 nan 8.240 nan 0.000 0.455 148 L N 0.443 121.768 121.223 0.170 0.000 2.044 148 L HA -0.039 4.286 4.340 -0.025 0.000 0.205 148 L C 2.714 179.678 176.870 0.157 0.000 1.075 148 L CA 0.844 55.834 54.840 0.249 0.000 0.747 148 L CB -0.868 41.265 42.059 0.123 0.000 0.903 148 L HN 0.125 nan 8.230 nan 0.000 0.435 149 V N 0.511 120.473 119.914 0.080 0.000 2.287 149 V HA -0.196 3.909 4.120 -0.025 0.000 0.248 149 V C 1.434 177.549 176.094 0.036 0.000 1.053 149 V CA 1.374 63.705 62.300 0.052 0.000 1.027 149 V CB -0.832 31.012 31.823 0.035 0.000 0.646 149 V HN 0.411 nan 8.190 nan 0.000 0.447 150 A N 0.408 123.236 122.820 0.014 0.000 2.354 150 A HA 0.307 4.612 4.320 -0.025 0.000 0.281 150 A C 0.170 177.718 177.584 -0.060 0.000 1.174 150 A CA -0.263 51.756 52.037 -0.030 0.000 0.828 150 A CB -0.207 18.764 19.000 -0.048 0.000 1.099 150 A HN 0.580 nan 8.150 nan 0.000 0.516 151 E N 4.385 124.552 120.200 -0.054 0.000 2.069 151 E HA 0.178 4.513 4.350 -0.025 0.000 0.254 151 E C -2.291 174.172 176.600 -0.228 0.000 1.088 151 E CA -1.741 54.621 56.400 -0.063 0.000 1.017 151 E CB 0.359 30.099 29.700 0.067 0.000 1.226 151 E HN 0.581 nan 8.360 nan 0.000 0.458 152 P HA -0.097 nan 4.420 nan 0.000 0.266 152 P C 0.810 177.898 177.300 -0.354 0.000 1.195 152 P CA 0.198 63.046 63.100 -0.420 0.000 0.768 152 P CB 1.381 32.767 31.700 -0.525 0.000 0.838 153 S N 1.523 117.120 115.700 -0.172 0.000 2.493 153 S HA -0.012 4.443 4.470 -0.025 0.000 0.243 153 S C 0.668 175.243 174.600 -0.042 0.000 0.991 153 S CA 0.504 58.660 58.200 -0.073 0.000 0.957 153 S CB -0.554 62.617 63.200 -0.048 0.000 0.756 153 S HN 0.354 nan 8.310 nan 0.000 0.521 154 V N 0.628 120.468 119.914 -0.125 0.000 2.851 154 V HA 0.527 4.632 4.120 -0.025 0.000 0.307 154 V C -1.276 174.732 176.094 -0.143 0.000 1.129 154 V CA -1.032 61.248 62.300 -0.032 0.000 0.932 154 V CB 1.566 33.380 31.823 -0.014 0.000 1.024 154 V HN 0.257 nan 8.190 nan 0.000 0.426 155 F N 3.946 123.849 119.950 -0.077 0.000 2.436 155 F HA 0.705 5.219 4.527 -0.021 0.000 0.340 155 F C 0.040 175.771 175.800 -0.114 0.000 1.113 155 F CA -0.741 57.201 58.000 -0.096 0.000 1.022 155 F CB 1.633 40.557 39.000 -0.126 0.000 1.128 155 F HN 0.201 nan 8.300 nan 0.000 0.466 156 L N 5.730 126.993 121.223 0.066 0.000 2.353 156 L HA 0.472 4.797 4.340 -0.025 0.000 0.270 156 L C -1.347 175.522 176.870 -0.003 0.000 1.003 156 L CA -0.573 54.268 54.840 0.002 0.000 0.862 156 L CB 0.909 42.974 42.059 0.010 0.000 1.221 156 L HN 0.425 nan 8.230 nan 0.000 0.430 157 L N 2.428 123.608 121.223 -0.071 0.000 2.287 157 L HA 0.466 4.792 4.340 -0.025 0.000 0.287 157 L C -0.100 176.620 176.870 -0.251 0.000 1.022 157 L CA -0.172 54.578 54.840 -0.151 0.000 0.814 157 L CB 1.423 43.351 42.059 -0.219 0.000 1.217 157 L HN 0.320 nan 8.230 nan 0.000 0.420 158 D N 4.513 124.857 120.400 -0.093 0.000 2.443 158 D HA 0.107 4.732 4.640 -0.025 0.000 0.221 158 D C -0.015 176.243 176.300 -0.070 0.000 1.097 158 D CA -0.150 53.818 54.000 -0.053 0.000 0.865 158 D CB 0.659 41.522 40.800 0.105 0.000 1.034 158 D HN 0.598 nan 8.370 nan 0.000 0.511 159 E N 2.604 122.681 120.200 -0.205 0.000 2.199 159 E HA -0.189 4.147 4.350 -0.025 0.000 0.208 159 E C -1.567 174.988 176.600 -0.075 0.000 1.310 159 E CA 0.047 56.366 56.400 -0.136 0.000 0.709 159 E CB -0.629 29.071 29.700 -0.000 0.000 1.127 159 E HN 0.556 nan 8.360 nan 0.000 0.354 160 P HA -0.176 nan 4.420 nan 0.000 0.218 160 P C 1.314 178.625 177.300 0.019 0.000 1.148 160 P CA 1.169 64.240 63.100 -0.047 0.000 0.822 160 P CB 0.050 31.708 31.700 -0.071 0.000 0.784 161 L N -0.755 120.498 121.223 0.049 0.000 2.591 161 L HA 0.124 4.449 4.340 -0.025 0.000 0.228 161 L C 2.699 179.604 176.870 0.058 0.000 1.133 161 L CA 0.237 55.117 54.840 0.067 0.000 0.880 161 L CB -0.856 41.261 42.059 0.097 0.000 1.033 161 L HN -0.000 nan 8.230 nan 0.000 0.450 162 S N 1.471 117.207 115.700 0.059 0.000 2.387 162 S HA -0.218 4.237 4.470 -0.025 0.000 0.230 162 S C 1.387 176.033 174.600 0.077 0.000 1.035 162 S CA 1.866 60.115 58.200 0.083 0.000 1.014 162 S CB -0.325 62.937 63.200 0.103 0.000 0.836 162 S HN 0.653 nan 8.310 nan 0.000 0.466 163 N N 0.431 119.169 118.700 0.065 0.000 2.314 163 N HA 0.254 4.979 4.740 -0.025 0.000 0.200 163 N C -0.474 175.063 175.510 0.044 0.000 1.135 163 N CA -0.154 52.929 53.050 0.054 0.000 0.835 163 N CB 0.217 38.735 38.487 0.051 0.000 0.989 163 N HN 0.370 nan 8.380 nan 0.000 0.478 164 L N -0.008 121.241 121.223 0.044 0.000 2.332 164 L HA 0.422 4.747 4.340 -0.025 0.000 0.269 164 L C -0.055 176.835 176.870 0.033 0.000 1.016 164 L CA -1.198 53.664 54.840 0.036 0.000 0.809 164 L CB 0.833 42.913 42.059 0.035 0.000 1.280 164 L HN -0.049 nan 8.230 nan 0.000 0.447 165 D N 0.317 120.733 120.400 0.026 0.000 2.362 165 D HA 0.174 4.799 4.640 -0.025 0.000 0.242 165 D C 0.855 177.166 176.300 0.019 0.000 1.132 165 D CA 0.036 54.049 54.000 0.021 0.000 0.907 165 D CB 1.584 42.394 40.800 0.016 0.000 1.195 165 D HN 0.657 nan 8.370 nan 0.000 0.429 166 A N 2.003 124.833 122.820 0.016 0.000 1.915 166 A HA -0.256 4.049 4.320 -0.025 0.000 0.220 166 A C 2.061 179.649 177.584 0.006 0.000 1.198 166 A CA 2.808 54.852 52.037 0.012 0.000 0.647 166 A CB -0.877 18.127 19.000 0.007 0.000 0.825 166 A HN 0.645 nan 8.150 nan 0.000 0.456 167 A N -0.856 121.967 122.820 0.004 0.000 1.883 167 A HA -0.071 4.234 4.320 -0.025 0.000 0.217 167 A C 2.150 179.736 177.584 0.003 0.000 1.186 167 A CA 1.717 53.754 52.037 0.000 0.000 0.624 167 A CB -0.516 18.484 19.000 -0.001 0.000 0.822 167 A HN 0.430 nan 8.150 nan 0.000 0.444 168 L N -0.691 120.537 121.223 0.009 0.000 2.027 168 L HA -0.109 4.216 4.340 -0.025 0.000 0.206 168 L C 2.596 179.475 176.870 0.015 0.000 1.074 168 L CA 1.965 56.813 54.840 0.013 0.000 0.745 168 L CB -1.168 40.902 42.059 0.018 0.000 0.898 168 L HN 0.508 nan 8.230 nan 0.000 0.433 169 R N -0.656 119.855 120.500 0.019 0.000 2.119 169 R HA -0.190 4.135 4.340 -0.025 0.000 0.246 169 R C 2.184 178.491 176.300 0.012 0.000 1.146 169 R CA 1.782 57.897 56.100 0.024 0.000 0.962 169 R CB -0.090 30.225 30.300 0.026 0.000 0.863 169 R HN 0.201 nan 8.270 nan 0.000 0.442 170 V N 0.631 120.546 119.914 0.001 0.000 2.307 170 V HA -0.252 3.853 4.120 -0.025 0.000 0.245 170 V C 2.282 178.368 176.094 -0.014 0.000 1.045 170 V CA 1.858 64.150 62.300 -0.013 0.000 1.024 170 V CB -0.426 31.387 31.823 -0.016 0.000 0.651 170 V HN 0.439 nan 8.190 nan 0.000 0.449 171 Q N -1.457 118.339 119.800 -0.007 0.000 2.119 171 Q HA -0.204 4.121 4.340 -0.025 0.000 0.201 171 Q C 2.202 178.201 176.000 -0.001 0.000 0.972 171 Q CA 1.557 57.356 55.803 -0.006 0.000 0.847 171 Q CB -0.227 28.510 28.738 -0.002 0.000 0.903 171 Q HN 0.453 nan 8.270 nan 0.000 0.433 172 M N 0.465 120.071 119.600 0.009 0.000 2.159 172 M HA -0.149 4.316 4.480 -0.025 0.000 0.263 172 M C 1.708 178.017 176.300 0.015 0.000 1.063 172 M CA 1.650 56.962 55.300 0.021 0.000 1.110 172 M CB -0.032 32.590 32.600 0.037 0.000 1.374 172 M HN -0.000 nan 8.290 nan 0.000 0.411 173 R N -0.515 119.983 120.500 -0.004 0.000 2.080 173 R HA -0.149 4.176 4.340 -0.025 0.000 0.236 173 R C 2.025 178.293 176.300 -0.053 0.000 1.137 173 R CA 1.645 57.719 56.100 -0.044 0.000 0.943 173 R CB -0.734 29.522 30.300 -0.074 0.000 0.846 173 R HN 0.309 nan 8.270 nan 0.000 0.431 174 I N 1.149 121.694 120.570 -0.042 0.000 2.208 174 I HA -0.230 3.925 4.170 -0.025 0.000 0.245 174 I C 2.141 178.248 176.117 -0.017 0.000 1.097 174 I CA 1.487 62.765 61.300 -0.037 0.000 1.363 174 I CB -0.997 36.985 38.000 -0.029 0.000 1.051 174 I HN 0.137 nan 8.210 nan 0.000 0.413 175 E N 1.032 121.229 120.200 -0.005 0.000 2.051 175 E HA -0.133 4.202 4.350 -0.025 0.000 0.192 175 E C 2.255 178.865 176.600 0.017 0.000 0.991 175 E CA 1.109 57.513 56.400 0.007 0.000 0.799 175 E CB -0.358 29.349 29.700 0.011 0.000 0.748 175 E HN 0.473 nan 8.360 nan 0.000 0.449 176 I N -0.014 120.572 120.570 0.026 0.000 2.361 176 I HA -0.246 3.910 4.170 -0.025 0.000 0.251 176 I C 2.206 178.383 176.117 0.100 0.000 1.133 176 I CA 0.741 62.075 61.300 0.058 0.000 1.413 176 I CB -0.161 37.897 38.000 0.096 0.000 1.073 176 I HN -0.007 nan 8.210 nan 0.000 0.424 177 S N 0.496 116.220 115.700 0.040 0.000 2.345 177 S HA -0.126 4.329 4.470 -0.025 0.000 0.220 177 S C 2.089 176.741 174.600 0.086 0.000 1.031 177 S CA 1.186 59.411 58.200 0.042 0.000 0.996 177 S CB -0.174 62.994 63.200 -0.053 0.000 0.882 177 S HN 0.353 nan 8.310 nan 0.000 0.445 178 R N 0.784 121.306 120.500 0.037 0.000 2.080 178 R HA -0.071 4.254 4.340 -0.025 0.000 0.236 178 R C 2.436 178.754 176.300 0.030 0.000 1.137 178 R CA 1.444 57.559 56.100 0.025 0.000 0.943 178 R CB -0.761 29.544 30.300 0.008 0.000 0.846 178 R HN 0.347 nan 8.270 nan 0.000 0.431 179 L N 0.275 121.516 121.223 0.030 0.000 2.051 179 L HA -0.289 4.036 4.340 -0.025 0.000 0.214 179 L C 2.504 179.380 176.870 0.010 0.000 1.076 179 L CA 1.958 56.802 54.840 0.006 0.000 0.758 179 L CB -0.318 41.728 42.059 -0.022 0.000 0.890 179 L HN 0.277 nan 8.230 nan 0.000 0.433 180 H N -0.148 118.904 119.070 -0.031 0.000 2.423 180 H HA -0.136 4.404 4.556 -0.027 0.000 0.297 180 H C 2.170 177.510 175.328 0.019 0.000 1.075 180 H CA 1.796 57.839 56.048 -0.008 0.000 1.342 180 H CB 0.127 29.991 29.762 0.170 0.000 1.395 180 H HN 0.298 nan 8.280 nan 0.000 0.530 181 K N -0.028 120.339 120.400 -0.054 0.000 2.025 181 K HA -0.075 4.230 4.320 -0.025 0.000 0.207 181 K C 2.351 178.891 176.600 -0.100 0.000 1.049 181 K CA 0.969 57.194 56.287 -0.102 0.000 0.933 181 K CB 0.075 32.561 32.500 -0.023 0.000 0.714 181 K HN 0.248 nan 8.250 nan 0.000 0.438 182 R N 0.941 121.407 120.500 -0.056 0.000 2.151 182 R HA -0.117 4.208 4.340 -0.025 0.000 0.220 182 R C 0.755 177.025 176.300 -0.051 0.000 1.120 182 R CA 1.019 57.096 56.100 -0.039 0.000 0.882 182 R CB -1.061 29.229 30.300 -0.017 0.000 0.806 182 R HN 0.085 nan 8.270 nan 0.000 0.440 183 L N -0.666 120.535 121.223 -0.038 0.000 2.410 183 L HA 0.338 4.663 4.340 -0.025 0.000 0.273 183 L C 0.586 177.408 176.870 -0.080 0.000 1.152 183 L CA 0.241 55.070 54.840 -0.019 0.000 0.855 183 L CB 0.700 42.784 42.059 0.042 0.000 1.129 183 L HN 0.198 nan 8.230 nan 0.000 0.463 184 G N 3.407 112.167 108.800 -0.066 0.000 4.464 184 G HA2 0.376 4.321 3.960 -0.025 0.000 0.297 184 G HA3 0.376 4.321 3.960 -0.025 0.000 0.297 184 G C 0.350 175.250 174.900 0.000 0.000 1.342 184 G CA -0.657 44.369 45.100 -0.123 0.000 1.335 184 G HN 0.633 nan 8.290 nan 0.000 0.609 185 R N -0.137 120.411 120.500 0.081 0.000 2.553 185 R HA 0.464 4.790 4.340 -0.025 0.000 0.263 185 R C 0.002 176.430 176.300 0.214 0.000 1.066 185 R CA -0.497 55.707 56.100 0.173 0.000 1.135 185 R CB 0.698 31.176 30.300 0.297 0.000 1.148 185 R HN 0.142 nan 8.270 nan 0.000 0.558 186 T N 2.291 116.956 114.554 0.186 0.000 2.884 186 T HA 0.268 4.603 4.350 -0.025 0.000 0.298 186 T C 0.019 174.792 174.700 0.121 0.000 0.998 186 T CA 0.320 62.509 62.100 0.149 0.000 1.124 186 T CB 0.312 69.249 68.868 0.114 0.000 0.931 186 T HN 0.275 nan 8.240 nan 0.000 0.531 187 M N 4.291 123.864 119.600 -0.045 0.000 2.267 187 M HA 0.447 4.912 4.480 -0.025 0.000 0.289 187 M C -1.245 174.901 176.300 -0.256 0.000 1.043 187 M CA -0.784 54.385 55.300 -0.218 0.000 0.928 187 M CB 2.179 34.354 32.600 -0.709 0.000 1.613 187 M HN 0.263 nan 8.290 nan 0.000 0.450 188 I N 3.411 123.876 120.570 -0.176 0.000 2.354 188 I HA 0.331 4.486 4.170 -0.025 0.000 0.286 188 I C -1.099 174.890 176.117 -0.213 0.000 1.007 188 I CA -0.532 60.615 61.300 -0.254 0.000 1.167 188 I CB 0.684 38.485 38.000 -0.333 0.000 1.320 188 I HN 0.671 nan 8.210 nan 0.000 0.458 189 Y N 5.970 126.114 120.300 -0.259 0.000 2.387 189 Y HA 0.625 5.163 4.550 -0.021 0.000 0.336 189 Y C -0.604 175.239 175.900 -0.095 0.000 1.067 189 Y CA -0.511 57.531 58.100 -0.098 0.000 1.114 189 Y CB 1.846 40.403 38.460 0.162 0.000 1.208 189 Y HN 0.269 nan 8.280 nan 0.000 0.458 190 V N 5.197 125.034 119.914 -0.128 0.000 2.531 190 V HA 0.600 4.705 4.120 -0.025 0.000 0.301 190 V C -0.650 175.463 176.094 0.032 0.000 1.034 190 V CA -0.333 61.986 62.300 0.030 0.000 0.865 190 V CB 1.897 33.725 31.823 0.009 0.000 0.995 190 V HN 0.968 nan 8.190 nan 0.000 0.424 191 T N 2.070 116.732 114.554 0.179 0.000 2.787 191 T HA 0.466 4.801 4.350 -0.025 0.000 0.297 191 T C 0.264 175.058 174.700 0.157 0.000 1.221 191 T CA -0.439 61.716 62.100 0.091 0.000 1.006 191 T CB 1.613 70.568 68.868 0.145 0.000 1.328 191 T HN 0.846 nan 8.240 nan 0.000 0.509 192 H N -1.163 118.044 119.070 0.227 0.000 2.893 192 H HA 0.282 4.823 4.556 -0.024 0.000 0.270 192 H C -0.674 174.805 175.328 0.252 0.000 1.095 192 H CA -0.316 55.898 56.048 0.278 0.000 1.186 192 H CB 0.745 30.627 29.762 0.199 0.000 1.562 192 H HN 0.378 nan 8.280 nan 0.000 0.536 193 D N 2.660 123.088 120.400 0.047 0.000 2.396 193 D HA -0.005 4.620 4.640 -0.025 0.000 0.225 193 D C 1.251 177.574 176.300 0.038 0.000 1.121 193 D CA -0.333 53.694 54.000 0.046 0.000 0.853 193 D CB 1.809 42.583 40.800 -0.044 0.000 1.043 193 D HN 0.463 nan 8.370 nan 0.000 0.500 194 Q N 2.313 122.078 119.800 -0.058 0.000 2.152 194 Q HA -0.184 4.141 4.340 -0.025 0.000 0.206 194 Q C 1.514 177.497 176.000 -0.029 0.000 0.985 194 Q CA 1.621 57.399 55.803 -0.042 0.000 0.863 194 Q CB -0.555 28.031 28.738 -0.253 0.000 0.904 194 Q HN 0.304 nan 8.270 nan 0.000 0.422 195 V N 1.300 121.179 119.914 -0.058 0.000 2.295 195 V HA -0.269 3.836 4.120 -0.025 0.000 0.246 195 V C 2.302 178.354 176.094 -0.070 0.000 1.049 195 V CA 2.264 64.525 62.300 -0.064 0.000 1.024 195 V CB -0.761 31.024 31.823 -0.063 0.000 0.648 195 V HN 0.441 nan 8.190 nan 0.000 0.447 196 E N 0.264 120.432 120.200 -0.052 0.000 2.085 196 E HA -0.226 4.109 4.350 -0.025 0.000 0.194 196 E C 2.364 178.881 176.600 -0.138 0.000 0.994 196 E CA 1.353 57.701 56.400 -0.087 0.000 0.801 196 E CB -0.314 29.380 29.700 -0.009 0.000 0.743 196 E HN 0.613 nan 8.360 nan 0.000 0.453 197 A N 1.616 124.410 122.820 -0.043 0.000 1.851 197 A HA -0.223 4.082 4.320 -0.025 0.000 0.216 197 A C 2.192 179.722 177.584 -0.090 0.000 1.195 197 A CA 1.556 53.578 52.037 -0.025 0.000 0.622 197 A CB -0.479 18.583 19.000 0.103 0.000 0.831 197 A HN 0.134 nan 8.150 nan 0.000 0.444 198 M N -0.388 119.174 119.600 -0.064 0.000 2.144 198 M HA -0.142 4.323 4.480 -0.025 0.000 0.260 198 M C 2.127 178.340 176.300 -0.145 0.000 1.067 198 M CA 2.131 57.378 55.300 -0.088 0.000 1.095 198 M CB -1.796 30.751 32.600 -0.088 0.000 1.365 198 M HN 0.479 nan 8.290 nan 0.000 0.406 199 T N 0.704 115.154 114.554 -0.174 0.000 2.942 199 T HA 0.066 4.401 4.350 -0.025 0.000 0.265 199 T C 1.976 176.489 174.700 -0.312 0.000 1.062 199 T CA 0.805 62.781 62.100 -0.207 0.000 1.139 199 T CB 0.092 68.853 68.868 -0.178 0.000 0.883 199 T HN 0.309 nan 8.240 nan 0.000 0.468 200 L N 0.075 121.026 121.223 -0.454 0.000 2.316 200 L HA 0.406 4.731 4.340 -0.025 0.000 0.207 200 L C 1.482 177.730 176.870 -1.036 0.000 1.070 200 L CA -0.188 54.153 54.840 -0.832 0.000 0.820 200 L CB -0.424 40.961 42.059 -1.123 0.000 0.992 200 L HN 0.095 nan 8.230 nan 0.000 0.466 201 A N 0.274 122.719 122.820 -0.624 0.000 2.386 201 A HA 0.070 4.376 4.320 -0.025 0.000 0.248 201 A C 0.367 177.848 177.584 -0.171 0.000 1.082 201 A CA -0.138 51.684 52.037 -0.359 0.000 0.789 201 A CB 0.269 19.210 19.000 -0.098 0.000 1.025 201 A HN 0.179 nan 8.150 nan 0.000 0.490 202 D N -0.359 120.026 120.400 -0.026 0.000 2.324 202 D HA 0.102 4.727 4.640 -0.025 0.000 0.212 202 D C 0.371 176.716 176.300 0.075 0.000 0.984 202 D CA 1.079 55.110 54.000 0.050 0.000 0.885 202 D CB 0.378 41.258 40.800 0.133 0.000 0.996 202 D HN 0.582 nan 8.370 nan 0.000 0.505 203 K N 0.798 121.255 120.400 0.095 0.000 2.513 203 K HA 0.423 4.728 4.320 -0.025 0.000 0.251 203 K C -1.536 175.146 176.600 0.137 0.000 0.939 203 K CA -0.442 55.913 56.287 0.114 0.000 0.793 203 K CB 1.814 34.388 32.500 0.123 0.000 1.241 203 K HN -0.184 nan 8.250 nan 0.000 0.431 204 I N 3.750 124.401 120.570 0.135 0.000 2.493 204 I HA 0.337 4.492 4.170 -0.025 0.000 0.298 204 I C -0.567 175.652 176.117 0.170 0.000 0.998 204 I CA -1.251 60.149 61.300 0.167 0.000 1.137 204 I CB 2.031 40.119 38.000 0.147 0.000 1.310 204 I HN 0.367 nan 8.210 nan 0.000 0.445 205 V N 7.445 127.481 119.914 0.204 0.000 2.407 205 V HA 0.456 4.561 4.120 -0.025 0.000 0.291 205 V C -0.642 175.503 176.094 0.084 0.000 1.018 205 V CA -0.369 61.996 62.300 0.109 0.000 0.842 205 V CB 1.744 33.579 31.823 0.020 0.000 0.996 205 V HN 0.424 nan 8.190 nan 0.000 0.426 206 V N 8.167 128.118 119.914 0.061 0.000 2.432 206 V HA 0.430 4.535 4.120 -0.025 0.000 0.271 206 V C 0.234 176.307 176.094 -0.034 0.000 1.046 206 V CA -0.303 62.018 62.300 0.036 0.000 0.945 206 V CB 1.116 32.998 31.823 0.098 0.000 0.992 206 V HN 0.775 nan 8.190 nan 0.000 0.471 207 L N 4.407 125.579 121.223 -0.085 0.000 2.317 207 L HA 0.642 4.968 4.340 -0.025 0.000 0.281 207 L C -0.620 176.100 176.870 -0.250 0.000 1.024 207 L CA -0.351 54.399 54.840 -0.150 0.000 0.810 207 L CB 1.811 43.797 42.059 -0.122 0.000 1.240 207 L HN 0.605 nan 8.230 nan 0.000 0.427 208 D N 2.816 122.975 120.400 -0.402 0.000 2.686 208 D HA 0.470 5.095 4.640 -0.025 0.000 0.249 208 D C 0.230 176.286 176.300 -0.406 0.000 1.260 208 D CA -0.090 53.485 54.000 -0.708 0.000 0.910 208 D CB 1.785 41.722 40.800 -1.439 0.000 1.323 208 D HN 0.704 nan 8.370 nan 0.000 0.561 209 A N 2.999 125.653 122.820 -0.276 0.000 2.748 209 A HA 0.074 4.379 4.320 -0.025 0.000 0.297 209 A C 1.604 179.113 177.584 -0.124 0.000 1.508 209 A CA 2.025 53.966 52.037 -0.160 0.000 0.799 209 A CB -2.002 16.902 19.000 -0.161 0.000 1.011 209 A HN 1.877 nan 8.150 nan 0.000 0.500 210 G N -1.846 106.883 108.800 -0.117 0.000 2.217 210 G HA2 -0.223 3.722 3.960 -0.025 0.000 0.246 210 G HA3 -0.223 3.722 3.960 -0.025 0.000 0.246 210 G C 0.184 175.017 174.900 -0.112 0.000 0.990 210 G CA 1.100 46.147 45.100 -0.088 0.000 0.627 210 G HN 2.209 nan 8.290 nan 0.000 0.522 211 R N -0.252 120.160 120.500 -0.146 0.000 2.573 211 R HA 0.724 5.049 4.340 -0.025 0.000 0.272 211 R C -0.430 175.779 176.300 -0.153 0.000 1.009 211 R CA -0.724 55.294 56.100 -0.137 0.000 1.059 211 R CB 1.698 31.919 30.300 -0.133 0.000 1.112 211 R HN 0.161 nan 8.270 nan 0.000 0.517 212 V N 3.181 123.022 119.914 -0.122 0.000 2.372 212 V HA 0.177 4.282 4.120 -0.025 0.000 0.261 212 V C 1.198 177.248 176.094 -0.072 0.000 1.055 212 V CA 0.336 62.571 62.300 -0.109 0.000 0.930 212 V CB 0.371 32.136 31.823 -0.097 0.000 1.031 212 V HN 1.047 nan 8.190 nan 0.000 0.479 213 A N 4.457 127.237 122.820 -0.066 0.000 1.930 213 A HA -0.013 4.292 4.320 -0.025 0.000 0.217 213 A C 0.921 178.539 177.584 0.056 0.000 1.175 213 A CA 1.261 53.296 52.037 -0.003 0.000 0.627 213 A CB 0.039 19.081 19.000 0.069 0.000 0.815 213 A HN 0.800 nan 8.150 nan 0.000 0.443 214 Q N -2.550 117.284 119.800 0.056 0.000 2.736 214 Q HA 0.492 4.818 4.340 -0.025 0.000 0.273 214 Q C -2.396 173.648 176.000 0.073 0.000 0.948 214 Q CA -0.533 55.317 55.803 0.079 0.000 0.854 214 Q CB 1.298 30.111 28.738 0.125 0.000 1.569 214 Q HN 0.123 nan 8.270 nan 0.000 0.405 215 V N 1.386 121.346 119.914 0.077 0.000 2.709 215 V HA 1.009 5.114 4.120 -0.025 0.000 0.308 215 V C 0.072 176.228 176.094 0.102 0.000 1.062 215 V CA 0.370 62.719 62.300 0.081 0.000 0.901 215 V CB 1.652 33.509 31.823 0.057 0.000 1.003 215 V HN 0.999 nan 8.190 nan 0.000 0.425 216 G N 3.051 111.920 108.800 0.115 0.000 2.321 216 G HA2 0.271 4.216 3.960 -0.025 0.000 0.298 216 G HA3 0.271 4.216 3.960 -0.025 0.000 0.298 216 G C -1.530 173.445 174.900 0.125 0.000 1.385 216 G CA -1.079 44.096 45.100 0.124 0.000 0.856 216 G HN 0.570 nan 8.290 nan 0.000 0.584 217 K N 0.944 121.419 120.400 0.125 0.000 2.380 217 K HA 0.204 4.510 4.320 -0.025 0.000 0.267 217 K C -1.573 175.092 176.600 0.109 0.000 0.990 217 K CA -1.003 55.349 56.287 0.109 0.000 0.946 217 K CB 1.195 33.761 32.500 0.110 0.000 0.937 217 K HN 0.079 nan 8.250 nan 0.000 0.491 218 P HA -0.218 nan 4.420 nan 0.000 0.215 218 P C 1.020 178.363 177.300 0.072 0.000 1.163 218 P CA 1.429 64.561 63.100 0.054 0.000 0.894 218 P CB 0.128 31.822 31.700 -0.011 0.000 0.791 219 L N -0.986 120.273 121.223 0.060 0.000 2.201 219 L HA -0.165 4.160 4.340 -0.025 0.000 0.212 219 L C 2.348 179.338 176.870 0.200 0.000 1.105 219 L CA 1.380 56.263 54.840 0.072 0.000 0.775 219 L CB -0.757 41.372 42.059 0.116 0.000 0.913 219 L HN 0.073 nan 8.230 nan 0.000 0.440 220 E N -0.066 120.274 120.200 0.233 0.000 2.047 220 E HA -0.219 4.116 4.350 -0.025 0.000 0.191 220 E C 2.137 178.910 176.600 0.288 0.000 0.987 220 E CA 0.937 57.529 56.400 0.320 0.000 0.799 220 E CB -0.015 29.840 29.700 0.258 0.000 0.752 220 E HN 0.223 nan 8.360 nan 0.000 0.449 221 L N -0.040 121.315 121.223 0.219 0.000 2.131 221 L HA -0.179 4.146 4.340 -0.025 0.000 0.210 221 L C 2.167 179.146 176.870 0.181 0.000 1.092 221 L CA 1.549 56.510 54.840 0.202 0.000 0.759 221 L CB -0.717 41.451 42.059 0.181 0.000 0.903 221 L HN 0.225 nan 8.230 nan 0.000 0.435 222 Y N -1.182 119.120 120.300 0.004 0.000 2.243 222 Y HA -0.169 4.372 4.550 -0.015 0.000 0.293 222 Y C 2.720 178.563 175.900 -0.094 0.000 1.124 222 Y CA 1.594 59.642 58.100 -0.086 0.000 1.159 222 Y CB -0.026 38.304 38.460 -0.216 0.000 1.008 222 Y HN 0.236 nan 8.280 nan 0.000 0.527 223 H N -1.750 117.288 119.070 -0.055 0.000 2.448 223 H HA 0.070 4.610 4.556 -0.026 0.000 0.292 223 H C -0.319 174.633 175.328 -0.627 0.000 1.035 223 H CA 1.022 56.790 56.048 -0.467 0.000 1.349 223 H CB -0.021 29.287 29.762 -0.757 0.000 1.425 223 H HN 0.288 nan 8.280 nan 0.000 0.539 224 Y N 1.259 121.734 120.300 0.292 0.000 2.584 224 Y HA 0.285 4.822 4.550 -0.023 0.000 0.358 224 Y C -2.344 173.692 175.900 0.227 0.000 1.028 224 Y CA -3.221 55.021 58.100 0.236 0.000 1.148 224 Y CB 0.696 39.259 38.460 0.172 0.000 1.126 224 Y HN 0.014 nan 8.280 nan 0.000 0.658 225 P HA 0.110 nan 4.420 nan 0.000 0.271 225 P C 0.545 178.052 177.300 0.345 0.000 1.216 225 P CA 0.236 63.514 63.100 0.296 0.000 0.776 225 P CB 1.988 33.831 31.700 0.238 0.000 0.881 226 A N 3.163 126.148 122.820 0.275 0.000 2.015 226 A HA -0.060 4.245 4.320 -0.025 0.000 0.219 226 A C 0.617 178.378 177.584 0.294 0.000 1.163 226 A CA 1.582 53.766 52.037 0.245 0.000 0.646 226 A CB -0.735 18.372 19.000 0.177 0.000 0.806 226 A HN 0.741 nan 8.150 nan 0.000 0.448 227 D N -4.965 115.628 120.400 0.321 0.000 2.677 227 D HA 0.294 4.919 4.640 -0.025 0.000 0.298 227 D C 0.620 176.953 176.300 0.055 0.000 1.250 227 D CA -0.843 53.346 54.000 0.314 0.000 0.888 227 D CB 0.286 41.197 40.800 0.185 0.000 1.397 227 D HN -0.217 nan 8.370 nan 0.000 0.461 228 R N -0.525 119.744 120.500 -0.385 0.000 2.103 228 R HA -0.114 4.211 4.340 -0.025 0.000 0.242 228 R C 1.772 177.847 176.300 -0.375 0.000 1.142 228 R CA 1.214 56.749 56.100 -0.941 0.000 0.960 228 R CB -0.717 29.053 30.300 -0.883 0.000 0.858 228 R HN 0.588 nan 8.270 nan 0.000 0.439 229 F N 0.835 120.654 119.950 -0.218 0.000 2.069 229 F HA -0.245 4.268 4.527 -0.023 0.000 0.298 229 F C 2.238 178.049 175.800 0.018 0.000 1.113 229 F CA 1.661 59.607 58.000 -0.089 0.000 1.214 229 F CB -0.511 38.445 39.000 -0.074 0.000 0.978 229 F HN -0.233 nan 8.300 nan 0.000 0.474 230 V N 0.597 120.551 119.914 0.067 0.000 2.343 230 V HA -0.303 3.802 4.120 -0.025 0.000 0.247 230 V C 2.732 178.841 176.094 0.025 0.000 1.051 230 V CA 1.741 64.080 62.300 0.065 0.000 1.036 230 V CB -1.662 30.272 31.823 0.184 0.000 0.654 230 V HN 0.512 nan 8.190 nan 0.000 0.451 231 A N 0.341 123.171 122.820 0.016 0.000 2.019 231 A HA -0.061 4.244 4.320 -0.025 0.000 0.219 231 A C 2.170 179.768 177.584 0.023 0.000 1.164 231 A CA 1.832 53.880 52.037 0.018 0.000 0.644 231 A CB -0.726 18.319 19.000 0.074 0.000 0.805 231 A HN 0.584 nan 8.150 nan 0.000 0.449 232 G N -3.279 105.537 108.800 0.027 0.000 3.233 232 G HA2 0.273 4.218 3.960 -0.025 0.000 0.234 232 G HA3 0.273 4.218 3.960 -0.025 0.000 0.234 232 G C 0.846 175.709 174.900 -0.061 0.000 1.137 232 G CA 0.465 45.601 45.100 0.061 0.000 0.763 232 G HN 0.419 nan 8.290 nan 0.000 0.549 233 F N 0.259 120.050 119.950 -0.264 0.000 2.602 233 F HA 0.486 4.999 4.527 -0.023 0.000 0.284 233 F C 0.294 176.032 175.800 -0.103 0.000 1.111 233 F CA -0.426 57.420 58.000 -0.257 0.000 1.405 233 F CB 0.644 39.375 39.000 -0.448 0.000 1.121 233 F HN -0.140 nan 8.300 nan 0.000 0.603 234 I N 1.123 121.705 120.570 0.021 0.000 2.312 234 I HA 0.564 4.720 4.170 -0.025 0.000 0.290 234 I C 0.021 176.141 176.117 0.004 0.000 1.008 234 I CA -0.331 60.984 61.300 0.024 0.000 1.226 234 I CB 0.953 39.040 38.000 0.145 0.000 1.371 234 I HN 0.226 nan 8.210 nan 0.000 0.468 235 G N 3.351 112.134 108.800 -0.027 0.000 2.588 235 G HA2 0.007 3.953 3.960 -0.025 0.000 0.239 235 G HA3 0.007 3.953 3.960 -0.025 0.000 0.239 235 G C 0.272 175.134 174.900 -0.063 0.000 1.275 235 G CA -0.344 44.761 45.100 0.008 0.000 1.181 235 G HN 0.472 nan 8.290 nan 0.000 0.595 236 S N 1.412 117.076 115.700 -0.059 0.000 2.433 236 S HA -0.165 4.290 4.470 -0.025 0.000 0.270 236 S C -1.049 173.505 174.600 -0.076 0.000 1.068 236 S CA 1.974 60.129 58.200 -0.075 0.000 1.375 236 S CB -0.800 62.360 63.200 -0.066 0.000 1.255 236 S HN 0.622 nan 8.310 nan 0.000 0.442 237 P HA 0.326 nan 4.420 nan 0.000 0.293 237 P C -0.486 176.762 177.300 -0.085 0.000 1.300 237 P CA -0.339 62.721 63.100 -0.065 0.000 0.792 237 P CB 0.664 32.327 31.700 -0.062 0.000 0.925 238 K N 3.636 123.984 120.400 -0.088 0.000 2.559 238 K HA -0.024 4.281 4.320 -0.025 0.000 0.279 238 K C 0.357 176.859 176.600 -0.164 0.000 0.967 238 K CA 0.020 56.246 56.287 -0.103 0.000 1.000 238 K CB 0.248 32.714 32.500 -0.055 0.000 0.890 238 K HN 0.478 nan 8.250 nan 0.000 0.501 239 M N 3.520 122.970 119.600 -0.251 0.000 2.245 239 M HA -0.027 4.438 4.480 -0.025 0.000 0.344 239 M C -0.586 175.316 176.300 -0.664 0.000 1.170 239 M CA 0.323 55.358 55.300 -0.442 0.000 1.135 239 M CB 0.350 32.600 32.600 -0.583 0.000 1.574 239 M HN 0.596 nan 8.290 nan 0.000 0.452 240 N N 2.965 121.365 118.700 -0.499 0.000 2.525 240 N HA 0.380 5.105 4.740 -0.025 0.000 0.271 240 N C -1.758 173.402 175.510 -0.583 0.000 1.194 240 N CA 0.184 53.005 53.050 -0.381 0.000 0.964 240 N CB 0.615 39.011 38.487 -0.153 0.000 1.126 240 N HN 0.360 nan 8.380 nan 0.000 0.452 241 F N 1.327 121.294 119.950 0.028 0.000 2.539 241 F HA 0.400 4.913 4.527 -0.023 0.000 0.328 241 F C -0.658 175.172 175.800 0.049 0.000 1.148 241 F CA -0.674 57.358 58.000 0.052 0.000 0.940 241 F CB 0.907 39.919 39.000 0.021 0.000 1.194 241 F HN 0.084 nan 8.300 nan 0.000 0.438 242 L N 5.714 127.081 121.223 0.241 0.000 2.313 242 L HA 0.524 4.849 4.340 -0.025 0.000 0.283 242 L C -2.433 174.523 176.870 0.143 0.000 1.013 242 L CA -2.097 52.832 54.840 0.148 0.000 0.816 242 L CB 1.916 44.031 42.059 0.094 0.000 1.236 242 L HN 0.285 nan 8.230 nan 0.000 0.419 243 P HA 0.154 nan 4.420 nan 0.000 0.276 243 P C -0.692 176.642 177.300 0.057 0.000 1.253 243 P CA -0.062 63.084 63.100 0.078 0.000 0.766 243 P CB 1.494 33.227 31.700 0.055 0.000 0.845 244 V N 0.865 120.811 119.914 0.053 0.000 3.126 244 V HA 0.682 4.788 4.120 -0.025 0.000 0.314 244 V C -0.589 175.512 176.094 0.011 0.000 1.138 244 V CA -1.287 61.028 62.300 0.025 0.000 1.034 244 V CB 2.474 34.309 31.823 0.021 0.000 1.075 244 V HN 0.367 nan 8.190 nan 0.000 0.442 245 K N 1.238 121.631 120.400 -0.012 0.000 2.413 245 K HA 0.646 4.951 4.320 -0.025 0.000 0.257 245 K C -1.092 175.480 176.600 -0.047 0.000 0.946 245 K CA -0.721 55.553 56.287 -0.021 0.000 0.823 245 K CB 2.021 34.508 32.500 -0.022 0.000 1.109 245 K HN 0.917 nan 8.250 nan 0.000 0.427 246 V N 4.680 124.567 119.914 -0.045 0.000 2.521 246 V HA 0.099 4.204 4.120 -0.025 0.000 0.286 246 V C 0.695 176.735 176.094 -0.090 0.000 1.034 246 V CA 0.947 63.202 62.300 -0.075 0.000 1.045 246 V CB 0.982 32.773 31.823 -0.052 0.000 0.974 246 V HN 1.015 nan 8.190 nan 0.000 0.480 247 T N 3.241 117.707 114.554 -0.147 0.000 3.044 247 T HA 0.713 5.048 4.350 -0.025 0.000 0.260 247 T C 0.253 174.856 174.700 -0.162 0.000 1.019 247 T CA 0.347 62.361 62.100 -0.143 0.000 0.921 247 T CB 0.258 69.028 68.868 -0.163 0.000 1.053 247 T HN 1.812 nan 8.240 nan 0.000 0.533 248 A N 0.857 123.558 122.820 -0.198 0.000 2.586 248 A HA 0.617 4.922 4.320 -0.025 0.000 0.298 248 A C -0.331 177.212 177.584 -0.068 0.000 1.013 248 A CA -0.479 51.475 52.037 -0.138 0.000 0.707 248 A CB 0.574 19.454 19.000 -0.201 0.000 1.276 248 A HN 0.706 nan 8.150 nan 0.000 0.414 249 T N -0.998 113.629 114.554 0.121 0.000 2.888 249 T HA 1.094 5.429 4.350 -0.025 0.000 0.288 249 T C -0.020 174.859 174.700 0.298 0.000 1.063 249 T CA 0.070 62.298 62.100 0.214 0.000 1.010 249 T CB 1.677 70.611 68.868 0.110 0.000 1.214 249 T HN 2.638 nan 8.240 nan 0.000 0.533 250 A N 0.383 123.341 122.820 0.230 0.000 2.483 250 A HA 0.642 4.947 4.320 -0.025 0.000 0.306 250 A C -1.565 176.053 177.584 0.058 0.000 1.137 250 A CA -0.969 51.135 52.037 0.111 0.000 0.626 250 A CB 0.505 19.512 19.000 0.012 0.000 1.352 250 A HN 0.798 nan 8.150 nan 0.000 0.508 251 I N 1.849 122.421 120.570 0.004 0.000 2.371 251 I HA 0.256 4.411 4.170 -0.025 0.000 0.290 251 I C -0.235 175.875 176.117 -0.012 0.000 1.028 251 I CA 0.550 61.848 61.300 -0.002 0.000 1.345 251 I CB 0.027 38.016 38.000 -0.017 0.000 1.407 251 I HN 0.691 nan 8.210 nan 0.000 0.501 252 D N 4.346 124.749 120.400 0.004 0.000 2.772 252 D HA -0.223 4.402 4.640 -0.025 0.000 0.233 252 D C 0.190 176.498 176.300 0.015 0.000 1.143 252 D CA 0.921 54.922 54.000 0.002 0.000 0.700 252 D CB -0.541 40.249 40.800 -0.017 0.000 1.076 252 D HN 0.757 nan 8.370 nan 0.000 0.430 253 Q N -0.827 119.010 119.800 0.062 0.000 2.518 253 Q HA 0.398 4.724 4.340 -0.025 0.000 0.254 253 Q C -2.025 174.172 176.000 0.328 0.000 0.962 253 Q CA -0.590 55.300 55.803 0.146 0.000 0.982 253 Q CB 1.881 30.614 28.738 -0.009 0.000 1.516 253 Q HN -0.005 nan 8.270 nan 0.000 0.426 254 V N 3.103 123.236 119.914 0.365 0.000 2.709 254 V HA 0.490 4.595 4.120 -0.025 0.000 0.308 254 V C -0.753 175.387 176.094 0.076 0.000 1.062 254 V CA -0.693 61.750 62.300 0.239 0.000 0.901 254 V CB 1.885 33.755 31.823 0.078 0.000 1.003 254 V HN 0.762 nan 8.190 nan 0.000 0.425 255 Q N 3.107 122.654 119.800 -0.422 0.000 2.312 255 Q HA 0.813 5.138 4.340 -0.025 0.000 0.263 255 Q C -1.255 174.484 176.000 -0.436 0.000 0.995 255 Q CA -0.511 54.794 55.803 -0.830 0.000 0.853 255 Q CB 2.257 29.830 28.738 -1.941 0.000 1.300 255 Q HN 0.812 nan 8.270 nan 0.000 0.448 256 V N 0.248 119.976 119.914 -0.311 0.000 3.130 256 V HA 0.686 4.791 4.120 -0.025 0.000 0.310 256 V C -1.248 174.752 176.094 -0.157 0.000 1.158 256 V CA -0.975 61.217 62.300 -0.181 0.000 1.029 256 V CB 1.818 33.583 31.823 -0.096 0.000 1.057 256 V HN 0.962 nan 8.190 nan 0.000 0.436 257 E N 2.956 123.092 120.200 -0.106 0.000 2.171 257 E HA 0.632 4.967 4.350 -0.025 0.000 0.271 257 E C -1.074 175.499 176.600 -0.045 0.000 0.916 257 E CA -0.915 55.436 56.400 -0.081 0.000 0.774 257 E CB 2.071 31.726 29.700 -0.074 0.000 1.128 257 E HN 0.754 nan 8.360 nan 0.000 0.403 258 L N 4.569 125.771 121.223 -0.035 0.000 2.426 258 L HA 0.156 4.481 4.340 -0.025 0.000 0.271 258 L C -1.178 175.687 176.870 -0.008 0.000 1.169 258 L CA -1.684 53.147 54.840 -0.014 0.000 0.836 258 L CB 0.436 42.487 42.059 -0.012 0.000 1.112 258 L HN 0.604 nan 8.230 nan 0.000 0.465 259 P HA -0.140 nan 4.420 nan 0.000 0.234 259 P C 0.172 177.474 177.300 0.003 0.000 1.162 259 P CA 0.769 63.873 63.100 0.007 0.000 0.759 259 P CB 0.076 31.787 31.700 0.018 0.000 0.813 260 M N 0.009 119.609 119.600 -0.000 0.000 2.251 260 M HA 0.071 4.536 4.480 -0.025 0.000 0.343 260 M C -1.594 174.704 176.300 -0.004 0.000 1.245 260 M CA -1.970 53.329 55.300 -0.002 0.000 1.061 260 M CB -0.982 31.614 32.600 -0.006 0.000 1.723 260 M HN -0.219 nan 8.290 nan 0.000 0.449 261 P HA -0.062 nan 4.420 nan 0.000 0.236 261 P C 0.969 178.265 177.300 -0.007 0.000 1.172 261 P CA 0.887 63.985 63.100 -0.004 0.000 0.759 261 P CB -0.024 31.676 31.700 -0.001 0.000 0.843 262 N N 0.253 118.948 118.700 -0.008 0.000 2.325 262 N HA -0.004 4.721 4.740 -0.025 0.000 0.182 262 N C 0.302 175.803 175.510 -0.015 0.000 1.088 262 N CA 0.108 53.151 53.050 -0.011 0.000 0.879 262 N CB 0.007 38.487 38.487 -0.012 0.000 0.983 262 N HN -0.121 nan 8.380 nan 0.000 0.471 263 R N 1.300 121.790 120.500 -0.016 0.000 3.358 263 R HA -0.218 4.107 4.340 -0.025 0.000 0.248 263 R C -0.081 176.200 176.300 -0.032 0.000 0.981 263 R CA 0.357 56.443 56.100 -0.023 0.000 0.662 263 R CB -2.117 28.169 30.300 -0.024 0.000 1.037 263 R HN 0.558 nan 8.270 nan 0.000 0.460 264 Q N 1.480 121.262 119.800 -0.029 0.000 2.315 264 Q HA -0.038 4.287 4.340 -0.025 0.000 0.289 264 Q C -0.348 175.620 176.000 -0.053 0.000 1.044 264 Q CA 0.672 56.455 55.803 -0.033 0.000 0.920 264 Q CB 0.606 29.329 28.738 -0.025 0.000 1.214 264 Q HN 0.235 nan 8.270 nan 0.000 0.392 265 Q N 2.267 122.025 119.800 -0.070 0.000 2.271 265 Q HA 0.532 4.857 4.340 -0.025 0.000 0.258 265 Q C -1.207 174.717 176.000 -0.126 0.000 0.936 265 Q CA -0.711 55.017 55.803 -0.126 0.000 0.909 265 Q CB 2.071 30.710 28.738 -0.164 0.000 1.253 265 Q HN 0.408 nan 8.270 nan 0.000 0.440 266 V N 1.578 121.396 119.914 -0.161 0.000 2.709 266 V HA 0.376 4.481 4.120 -0.025 0.000 0.308 266 V C -1.168 174.850 176.094 -0.127 0.000 1.062 266 V CA -1.064 61.183 62.300 -0.088 0.000 0.901 266 V CB 1.524 33.330 31.823 -0.027 0.000 1.003 266 V HN 0.726 nan 8.190 nan 0.000 0.425 267 W N 4.160 125.449 121.300 -0.018 0.000 2.315 267 W HA 0.699 5.344 4.660 -0.026 0.000 0.316 267 W C -0.372 176.130 176.519 -0.029 0.000 1.211 267 W CA -0.320 57.013 57.345 -0.020 0.000 1.201 267 W CB 1.056 30.505 29.460 -0.018 0.000 1.184 267 W HN 0.324 nan 8.180 nan 0.000 0.544 268 L N 6.240 127.605 121.223 0.236 0.000 2.325 268 L HA 0.340 4.666 4.340 -0.025 0.000 0.281 268 L C -1.744 175.193 176.870 0.111 0.000 1.004 268 L CA -2.207 52.699 54.840 0.110 0.000 0.823 268 L CB 1.876 43.955 42.059 0.034 0.000 1.236 268 L HN 0.175 nan 8.230 nan 0.000 0.415 269 P HA 0.019 nan 4.420 nan 0.000 0.235 269 P C -0.406 176.913 177.300 0.032 0.000 1.720 269 P CA 0.127 63.257 63.100 0.050 0.000 1.003 269 P CB -0.279 31.449 31.700 0.046 0.000 1.968 270 V N -2.253 117.681 119.914 0.033 0.000 2.769 270 V HA 0.344 4.449 4.120 -0.025 0.000 0.312 270 V C 1.806 177.909 176.094 0.016 0.000 1.058 270 V CA -1.007 61.297 62.300 0.006 0.000 0.952 270 V CB 1.693 33.501 31.823 -0.025 0.000 1.019 270 V HN 0.151 nan 8.190 nan 0.000 0.445 271 E N 2.144 122.345 120.200 0.002 0.000 2.246 271 E HA -0.437 3.899 4.350 -0.025 0.000 0.232 271 E C 1.436 178.046 176.600 0.016 0.000 1.087 271 E CA 3.455 59.856 56.400 0.003 0.000 0.964 271 E CB -0.215 29.484 29.700 -0.002 0.000 0.827 271 E HN 1.658 nan 8.360 nan 0.000 0.476 272 S N -1.563 114.151 115.700 0.023 0.000 3.018 272 S HA -0.276 4.180 4.470 -0.025 0.000 0.274 272 S C 0.555 175.172 174.600 0.028 0.000 1.300 272 S CA 1.405 59.627 58.200 0.036 0.000 1.179 272 S CB -1.506 61.728 63.200 0.055 0.000 1.427 272 S HN 0.523 nan 8.310 nan 0.000 0.668 273 R N 1.385 121.897 120.500 0.019 0.000 0.631 273 R HA -0.017 4.308 4.340 -0.025 0.000 0.045 273 R C 0.429 176.741 176.300 0.020 0.000 0.423 273 R CA 0.931 57.041 56.100 0.017 0.000 2.169 273 R CB -0.538 29.771 30.300 0.015 0.000 0.471 273 R HN 0.431 nan 8.270 nan 0.000 0.808 274 D N 1.016 121.428 120.400 0.020 0.000 2.569 274 D HA -0.017 4.608 4.640 -0.025 0.000 0.254 274 D C -1.344 174.968 176.300 0.022 0.000 1.274 274 D CA 0.486 54.498 54.000 0.020 0.000 1.306 274 D CB -0.435 40.378 40.800 0.022 0.000 1.139 274 D HN 0.180 nan 8.370 nan 0.000 0.511 275 V N 3.478 123.405 119.914 0.021 0.000 2.610 275 V HA 0.305 4.410 4.120 -0.025 0.000 0.298 275 V C -1.301 174.803 176.094 0.017 0.000 1.067 275 V CA -0.658 61.654 62.300 0.019 0.000 0.894 275 V CB 1.653 33.487 31.823 0.019 0.000 1.015 275 V HN 0.312 nan 8.190 nan 0.000 0.432 276 Q N 4.162 123.969 119.800 0.013 0.000 2.266 276 Q HA 0.631 4.956 4.340 -0.025 0.000 0.261 276 Q C -0.544 175.457 176.000 0.001 0.000 0.985 276 Q CA -0.947 54.862 55.803 0.010 0.000 0.873 276 Q CB 2.718 31.461 28.738 0.009 0.000 1.306 276 Q HN 0.690 nan 8.270 nan 0.000 0.447 277 V N 1.328 121.241 119.914 -0.001 0.000 2.788 277 V HA 0.055 4.160 4.120 -0.025 0.000 0.307 277 V C 1.380 177.466 176.094 -0.013 0.000 1.069 277 V CA 1.980 64.271 62.300 -0.014 0.000 1.173 277 V CB 0.322 32.138 31.823 -0.012 0.000 0.925 277 V HN 1.169 nan 8.190 nan 0.000 0.492 278 G N 2.951 111.738 108.800 -0.022 0.000 2.225 278 G HA2 -0.139 3.806 3.960 -0.025 0.000 0.254 278 G HA3 -0.139 3.806 3.960 -0.025 0.000 0.254 278 G C 0.481 175.375 174.900 -0.009 0.000 0.988 278 G CA 0.232 45.322 45.100 -0.016 0.000 0.625 278 G HN 1.630 nan 8.290 nan 0.000 0.527 279 A N 0.266 123.083 122.820 -0.006 0.000 2.445 279 A HA 0.533 4.839 4.320 -0.025 0.000 0.242 279 A C 0.423 178.010 177.584 0.004 0.000 1.075 279 A CA 0.133 52.171 52.037 0.002 0.000 0.777 279 A CB 0.188 19.193 19.000 0.007 0.000 1.013 279 A HN 0.397 nan 8.150 nan 0.000 0.493 280 N N 1.751 120.458 118.700 0.012 0.000 2.434 280 N HA 0.521 5.247 4.740 -0.025 0.000 0.272 280 N C -0.465 175.065 175.510 0.032 0.000 1.040 280 N CA 0.243 53.304 53.050 0.017 0.000 0.956 280 N CB 1.262 39.759 38.487 0.016 0.000 1.108 280 N HN 0.647 nan 8.380 nan 0.000 0.481 281 M N -0.261 119.364 119.600 0.042 0.000 2.745 281 M HA 0.328 4.793 4.480 -0.025 0.000 0.290 281 M C -0.274 176.092 176.300 0.109 0.000 1.262 281 M CA -0.850 54.495 55.300 0.074 0.000 0.795 281 M CB 1.912 34.548 32.600 0.060 0.000 1.758 281 M HN 0.209 nan 8.290 nan 0.000 0.461 282 S N 1.337 117.149 115.700 0.188 0.000 2.474 282 S HA 0.593 5.048 4.470 -0.025 0.000 0.321 282 S C -1.261 173.562 174.600 0.371 0.000 1.080 282 S CA -0.711 57.655 58.200 0.277 0.000 1.106 282 S CB 0.611 63.980 63.200 0.282 0.000 0.984 282 S HN 0.578 nan 8.310 nan 0.000 0.464 283 L N 5.470 126.867 121.223 0.288 0.000 2.276 283 L HA 0.784 5.110 4.340 -0.025 0.000 0.286 283 L C 0.341 177.416 176.870 0.342 0.000 1.061 283 L CA -0.229 54.751 54.840 0.234 0.000 0.807 283 L CB 0.652 42.783 42.059 0.120 0.000 1.177 283 L HN 0.732 nan 8.230 nan 0.000 0.429 284 G N 5.386 114.402 108.800 0.361 0.000 2.417 284 G HA2 0.590 4.535 3.960 -0.025 0.000 0.320 284 G HA3 0.590 4.535 3.960 -0.025 0.000 0.320 284 G C -1.601 173.375 174.900 0.128 0.000 1.204 284 G CA -0.369 44.882 45.100 0.252 0.000 0.923 284 G HN 0.532 nan 8.290 nan 0.000 0.466 285 I N 1.231 121.776 120.570 -0.041 0.000 2.548 285 I HA 0.444 4.599 4.170 -0.025 0.000 0.287 285 I C 0.044 176.142 176.117 -0.032 0.000 1.103 285 I CA -0.903 60.410 61.300 0.022 0.000 1.049 285 I CB 1.695 39.718 38.000 0.040 0.000 1.232 285 I HN 0.488 nan 8.210 nan 0.000 0.429 286 R N 7.606 128.152 120.500 0.076 0.000 2.543 286 R HA 0.248 4.573 4.340 -0.025 0.000 0.277 286 R C -1.746 174.591 176.300 0.062 0.000 1.074 286 R CA -1.168 54.972 56.100 0.067 0.000 1.076 286 R CB 0.194 30.642 30.300 0.248 0.000 0.993 286 R HN 0.418 nan 8.270 nan 0.000 0.459 287 P HA -0.206 nan 4.420 nan 0.000 0.216 287 P C 0.216 177.494 177.300 -0.037 0.000 1.153 287 P CA 1.413 64.507 63.100 -0.009 0.000 0.858 287 P CB 0.278 31.934 31.700 -0.074 0.000 0.789 288 E N -2.115 118.001 120.200 -0.140 0.000 2.338 288 E HA -0.158 4.177 4.350 -0.025 0.000 0.197 288 E C 1.490 177.971 176.600 -0.198 0.000 1.007 288 E CA 0.958 57.219 56.400 -0.230 0.000 0.849 288 E CB -0.877 28.626 29.700 -0.329 0.000 0.774 288 E HN 0.506 nan 8.360 nan 0.000 0.506 289 H N -0.375 118.739 119.070 0.074 0.000 2.551 289 H HA 0.221 4.763 4.556 -0.022 0.000 0.271 289 H C 0.377 175.771 175.328 0.109 0.000 0.984 289 H CA -0.090 56.010 56.048 0.086 0.000 1.164 289 H CB 0.247 30.047 29.762 0.064 0.000 1.437 289 H HN 0.135 nan 8.280 nan 0.000 0.550 290 L N 1.662 123.043 121.223 0.264 0.000 2.452 290 L HA 0.122 4.447 4.340 -0.025 0.000 0.267 290 L C 0.224 177.263 176.870 0.283 0.000 1.188 290 L CA -0.073 54.915 54.840 0.247 0.000 0.821 290 L CB 0.860 43.099 42.059 0.300 0.000 1.102 290 L HN -0.067 nan 8.230 nan 0.000 0.470 291 L N 3.632 124.934 121.223 0.131 0.000 2.344 291 L HA 0.335 4.660 4.340 -0.025 0.000 0.272 291 L C -1.222 175.660 176.870 0.020 0.000 1.035 291 L CA -1.634 53.270 54.840 0.106 0.000 0.807 291 L CB 1.165 43.252 42.059 0.047 0.000 1.237 291 L HN 0.440 nan 8.230 nan 0.000 0.442 292 P HA -0.269 nan 4.420 nan 0.000 0.218 292 P C 0.858 178.068 177.300 -0.150 0.000 1.146 292 P CA 1.883 64.992 63.100 0.014 0.000 0.820 292 P CB 0.451 32.192 31.700 0.069 0.000 0.778 293 S N -2.307 113.318 115.700 -0.125 0.000 1.513 293 S HA -0.121 4.335 4.470 -0.025 0.000 0.248 293 S C 1.073 175.614 174.600 -0.100 0.000 0.861 293 S CA 0.973 59.081 58.200 -0.154 0.000 1.179 293 S CB -2.436 60.606 63.200 -0.264 0.000 1.374 293 S HN 0.060 nan 8.310 nan 0.000 0.512 294 D N 1.391 121.747 120.400 -0.073 0.000 2.228 294 D HA 0.073 4.698 4.640 -0.025 0.000 0.203 294 D C 0.885 177.165 176.300 -0.034 0.000 0.988 294 D CA 1.463 55.435 54.000 -0.046 0.000 0.864 294 D CB -0.284 40.502 40.800 -0.023 0.000 0.928 294 D HN 0.704 nan 8.370 nan 0.000 0.469 295 I N 1.234 121.786 120.570 -0.031 0.000 2.269 295 I HA 0.194 4.349 4.170 -0.025 0.000 0.293 295 I C 1.110 177.208 176.117 -0.031 0.000 1.106 295 I CA -0.713 60.575 61.300 -0.021 0.000 1.248 295 I CB 0.883 38.879 38.000 -0.007 0.000 1.444 295 I HN -0.131 nan 8.210 nan 0.000 0.497 296 A N 4.701 127.504 122.820 -0.029 0.000 2.464 296 A HA 0.040 4.345 4.320 -0.025 0.000 0.274 296 A C 0.160 177.730 177.584 -0.024 0.000 1.633 296 A CA 0.180 52.198 52.037 -0.031 0.000 1.015 296 A CB -0.201 18.784 19.000 -0.025 0.000 1.454 296 A HN 0.782 nan 8.150 nan 0.000 0.665 297 D N -2.346 118.044 120.400 -0.017 0.000 4.621 297 D HA 0.095 4.720 4.640 -0.025 0.000 0.241 297 D C -0.461 175.831 176.300 -0.013 0.000 1.065 297 D CA 1.222 55.217 54.000 -0.008 0.000 1.247 297 D CB -1.488 39.310 40.800 -0.002 0.000 0.793 297 D HN 1.572 nan 8.370 nan 0.000 0.391 298 V N 1.056 120.961 119.914 -0.014 0.000 4.190 298 V HA -0.282 3.823 4.120 -0.025 0.000 0.437 298 V C 0.445 176.520 176.094 -0.030 0.000 0.680 298 V CA 0.847 63.136 62.300 -0.018 0.000 1.799 298 V CB -1.191 30.626 31.823 -0.011 0.000 2.188 298 V HN 0.562 nan 8.190 nan 0.000 0.488 299 I N 4.946 125.494 120.570 -0.037 0.000 2.603 299 I HA 0.728 4.884 4.170 -0.025 0.000 0.300 299 I C -0.072 176.015 176.117 -0.051 0.000 1.017 299 I CA -0.789 60.477 61.300 -0.056 0.000 1.098 299 I CB 2.138 40.098 38.000 -0.066 0.000 1.279 299 I HN 0.366 nan 8.210 nan 0.000 0.437 300 L N 4.889 126.073 121.223 -0.064 0.000 2.356 300 L HA 0.567 4.892 4.340 -0.025 0.000 0.277 300 L C -0.591 176.243 176.870 -0.061 0.000 0.996 300 L CA -0.464 54.348 54.840 -0.046 0.000 0.822 300 L CB 2.027 44.067 42.059 -0.031 0.000 1.256 300 L HN 0.610 nan 8.230 nan 0.000 0.413 301 E N 1.647 121.823 120.200 -0.040 0.000 2.256 301 E HA 0.807 5.142 4.350 -0.025 0.000 0.267 301 E C -0.779 175.824 176.600 0.004 0.000 0.892 301 E CA -0.513 55.865 56.400 -0.035 0.000 0.775 301 E CB 2.638 32.312 29.700 -0.043 0.000 1.207 301 E HN 0.722 nan 8.360 nan 0.000 0.420 302 G N 2.013 110.834 108.800 0.035 0.000 2.554 302 G HA2 0.186 4.132 3.960 -0.025 0.000 0.306 302 G HA3 0.186 4.132 3.960 -0.025 0.000 0.306 302 G C -1.566 173.378 174.900 0.074 0.000 1.320 302 G CA -0.733 44.397 45.100 0.050 0.000 0.800 302 G HN 0.535 nan 8.290 nan 0.000 0.481 303 E N 0.078 120.316 120.200 0.063 0.000 2.156 303 E HA 0.495 4.830 4.350 -0.025 0.000 0.279 303 E C -0.365 176.273 176.600 0.065 0.000 0.965 303 E CA -0.598 55.840 56.400 0.062 0.000 0.789 303 E CB 1.689 31.415 29.700 0.043 0.000 1.098 303 E HN 0.237 nan 8.360 nan 0.000 0.397 304 V N 5.425 125.376 119.914 0.062 0.000 2.493 304 V HA -0.076 4.029 4.120 -0.025 0.000 0.292 304 V C 0.966 177.077 176.094 0.029 0.000 1.016 304 V CA 0.219 62.541 62.300 0.037 0.000 1.097 304 V CB 0.943 32.765 31.823 -0.002 0.000 0.947 304 V HN 0.793 nan 8.190 nan 0.000 0.479 305 Q N 3.661 123.487 119.800 0.043 0.000 2.304 305 Q HA 0.260 4.585 4.340 -0.025 0.000 0.204 305 Q C 0.045 176.038 176.000 -0.013 0.000 0.936 305 Q CA 0.756 56.576 55.803 0.028 0.000 0.878 305 Q CB 0.886 29.660 28.738 0.058 0.000 0.983 305 Q HN 0.622 nan 8.270 nan 0.000 0.516 306 V N 0.328 120.229 119.914 -0.022 0.000 2.888 306 V HA 0.492 4.598 4.120 -0.025 0.000 0.309 306 V C -0.889 175.150 176.094 -0.090 0.000 1.114 306 V CA -0.873 61.354 62.300 -0.121 0.000 0.940 306 V CB 2.714 34.324 31.823 -0.355 0.000 1.021 306 V HN -0.210 nan 8.190 nan 0.000 0.426 307 V N 2.665 122.520 119.914 -0.099 0.000 2.482 307 V HA 0.457 4.562 4.120 -0.025 0.000 0.295 307 V C -0.502 175.544 176.094 -0.080 0.000 1.026 307 V CA -0.528 61.726 62.300 -0.078 0.000 0.856 307 V CB 1.845 33.622 31.823 -0.077 0.000 1.001 307 V HN 0.956 nan 8.190 nan 0.000 0.424 308 E N 4.040 124.201 120.200 -0.065 0.000 2.063 308 E HA 0.349 4.684 4.350 -0.025 0.000 0.265 308 E C -0.799 175.771 176.600 -0.050 0.000 0.919 308 E CA -0.674 55.690 56.400 -0.060 0.000 0.756 308 E CB 1.327 30.996 29.700 -0.053 0.000 1.120 308 E HN 0.520 nan 8.360 nan 0.000 0.414 309 Q N 2.904 122.676 119.800 -0.047 0.000 2.295 309 Q HA 0.194 4.519 4.340 -0.025 0.000 0.259 309 Q C 0.477 176.454 176.000 -0.038 0.000 0.976 309 Q CA 0.207 55.985 55.803 -0.041 0.000 0.923 309 Q CB 1.171 29.887 28.738 -0.035 0.000 1.185 309 Q HN 0.635 nan 8.270 nan 0.000 0.410 310 L N 0.511 121.710 121.223 -0.039 0.000 3.069 310 L HA 0.238 4.564 4.340 -0.025 0.000 0.271 310 L C 1.220 178.070 176.870 -0.034 0.000 1.201 310 L CA 0.199 55.017 54.840 -0.037 0.000 1.015 310 L CB 0.283 42.318 42.059 -0.041 0.000 1.371 310 L HN 0.914 nan 8.230 nan 0.000 0.574 311 G N 2.207 110.988 108.800 -0.031 0.000 3.444 311 G HA2 -0.436 3.510 3.960 -0.025 0.000 0.222 311 G HA3 -0.436 3.510 3.960 -0.025 0.000 0.222 311 G C 1.053 175.936 174.900 -0.029 0.000 1.358 311 G CA 0.697 45.780 45.100 -0.027 0.000 0.880 311 G HN 0.510 nan 8.290 nan 0.000 0.555 312 N N 2.605 121.285 118.700 -0.034 0.000 2.376 312 N HA 0.081 4.806 4.740 -0.025 0.000 0.177 312 N C 0.794 176.276 175.510 -0.045 0.000 1.024 312 N CA 1.859 54.887 53.050 -0.037 0.000 0.893 312 N CB 0.038 38.501 38.487 -0.040 0.000 0.980 312 N HN 0.913 nan 8.380 nan 0.000 0.439 313 E N -1.087 119.081 120.200 -0.053 0.000 2.454 313 E HA 0.433 4.768 4.350 -0.025 0.000 0.279 313 E C -1.608 174.951 176.600 -0.070 0.000 1.029 313 E CA -0.935 55.424 56.400 -0.069 0.000 0.831 313 E CB 1.300 30.948 29.700 -0.088 0.000 1.405 313 E HN -0.122 nan 8.360 nan 0.000 0.463 314 T N 1.088 115.587 114.554 -0.091 0.000 2.879 314 T HA 0.313 4.648 4.350 -0.025 0.000 0.290 314 T C -0.954 173.678 174.700 -0.113 0.000 0.993 314 T CA -0.678 61.371 62.100 -0.085 0.000 0.975 314 T CB 1.405 70.229 68.868 -0.074 0.000 0.981 314 T HN 0.363 nan 8.240 nan 0.000 0.439 315 Q N 2.689 122.447 119.800 -0.069 0.000 2.340 315 Q HA 0.489 4.814 4.340 -0.025 0.000 0.259 315 Q C -0.668 175.357 176.000 0.041 0.000 0.964 315 Q CA -0.764 55.020 55.803 -0.031 0.000 0.900 315 Q CB 1.278 30.027 28.738 0.018 0.000 1.228 315 Q HN 0.468 nan 8.270 nan 0.000 0.449 316 I N 3.030 123.633 120.570 0.055 0.000 2.362 316 I HA 0.255 4.410 4.170 -0.025 0.000 0.289 316 I C -0.010 176.213 176.117 0.177 0.000 0.994 316 I CA -0.443 60.897 61.300 0.066 0.000 1.158 316 I CB 1.088 39.029 38.000 -0.098 0.000 1.315 316 I HN 0.561 nan 8.210 nan 0.000 0.451 317 H N 6.388 125.445 119.070 -0.021 0.000 2.517 317 H HA 0.490 5.031 4.556 -0.026 0.000 0.317 317 H C -0.479 174.856 175.328 0.012 0.000 1.080 317 H CA -0.647 55.405 56.048 0.006 0.000 1.301 317 H CB 2.204 31.965 29.762 -0.003 0.000 1.425 317 H HN 0.296 nan 8.280 nan 0.000 0.471 318 I N 2.720 123.355 120.570 0.108 0.000 2.646 318 I HA 0.114 4.269 4.170 -0.025 0.000 0.299 318 I C 0.120 176.280 176.117 0.071 0.000 1.036 318 I CA -0.912 60.443 61.300 0.092 0.000 1.074 318 I CB 2.044 40.109 38.000 0.108 0.000 1.258 318 I HN 0.489 nan 8.210 nan 0.000 0.430 319 Q N 4.805 124.644 119.800 0.065 0.000 2.398 319 Q HA 0.486 4.811 4.340 -0.025 0.000 0.251 319 Q C -0.656 175.370 176.000 0.043 0.000 0.999 319 Q CA -0.458 55.375 55.803 0.050 0.000 0.874 319 Q CB 1.892 30.657 28.738 0.045 0.000 1.215 319 Q HN 0.514 nan 8.270 nan 0.000 0.470 320 I N 5.645 126.237 120.570 0.036 0.000 2.312 320 I HA 0.098 4.253 4.170 -0.025 0.000 0.291 320 I C -1.401 174.729 176.117 0.022 0.000 1.031 320 I CA -1.980 59.336 61.300 0.027 0.000 1.293 320 I CB 1.380 39.393 38.000 0.022 0.000 1.403 320 I HN 0.364 nan 8.210 nan 0.000 0.484 321 P HA -0.210 nan 4.420 nan 0.000 0.219 321 P C 0.266 177.574 177.300 0.014 0.000 1.161 321 P CA 1.298 64.407 63.100 0.015 0.000 0.909 321 P CB 0.045 31.751 31.700 0.011 0.000 0.793 322 S N 0.885 116.592 115.700 0.012 0.000 3.232 322 S HA 0.100 4.555 4.470 -0.025 0.000 0.298 322 S C 0.104 174.714 174.600 0.016 0.000 1.159 322 S CA 0.304 58.511 58.200 0.011 0.000 1.240 322 S CB -1.576 61.629 63.200 0.007 0.000 1.584 322 S HN 0.017 nan 8.310 nan 0.000 0.558 323 I N 1.980 122.560 120.570 0.017 0.000 8.455 323 I HA -0.231 3.924 4.170 -0.025 0.000 0.126 323 I C 1.517 177.649 176.117 0.026 0.000 1.855 323 I CA 0.091 61.404 61.300 0.021 0.000 2.041 323 I CB -0.958 37.056 38.000 0.023 0.000 3.831 323 I HN 0.642 nan 8.210 nan 0.000 0.170 324 R N 6.607 127.123 120.500 0.026 0.000 2.635 324 R HA -0.264 4.061 4.340 -0.025 0.000 0.184 324 R C 0.760 177.080 176.300 0.035 0.000 0.847 324 R CA 2.174 58.292 56.100 0.030 0.000 0.772 324 R CB -0.510 29.808 30.300 0.029 0.000 0.660 324 R HN 0.779 nan 8.270 nan 0.000 0.460 325 Q N -1.101 118.722 119.800 0.038 0.000 2.311 325 Q HA -0.177 4.148 4.340 -0.025 0.000 0.178 325 Q C -0.540 175.484 176.000 0.040 0.000 0.596 325 Q CA 1.185 57.014 55.803 0.044 0.000 1.377 325 Q CB -2.359 26.408 28.738 0.047 0.000 1.372 325 Q HN 0.684 nan 8.270 nan 0.000 0.896 326 N N 0.803 119.528 118.700 0.042 0.000 1.558 326 N HA -0.131 4.595 4.740 -0.025 0.000 0.381 326 N C -0.457 175.048 175.510 -0.008 0.000 1.192 326 N CA 0.526 53.594 53.050 0.030 0.000 0.765 326 N CB 0.109 38.627 38.487 0.052 0.000 0.969 326 N HN 0.246 nan 8.380 nan 0.000 0.536 327 L N 4.230 125.451 121.223 -0.003 0.000 2.313 327 L HA 0.280 4.605 4.340 -0.025 0.000 0.282 327 L C -0.569 176.263 176.870 -0.063 0.000 1.092 327 L CA -0.214 54.613 54.840 -0.021 0.000 0.831 327 L CB 0.919 42.987 42.059 0.015 0.000 1.159 327 L HN 0.297 nan 8.230 nan 0.000 0.442 328 V N 6.376 126.206 119.914 -0.139 0.000 2.432 328 V HA 0.204 4.309 4.120 -0.025 0.000 0.275 328 V C -0.611 175.484 176.094 0.002 0.000 1.043 328 V CA -0.474 61.694 62.300 -0.219 0.000 0.925 328 V CB 0.899 32.498 31.823 -0.373 0.000 0.985 328 V HN 0.617 nan 8.190 nan 0.000 0.466 329 Y N 6.065 126.315 120.300 -0.083 0.000 2.429 329 Y HA 0.680 5.218 4.550 -0.020 0.000 0.342 329 Y C -0.011 175.877 175.900 -0.021 0.000 1.004 329 Y CA -1.349 56.740 58.100 -0.018 0.000 1.075 329 Y CB 1.519 40.013 38.460 0.057 0.000 1.214 329 Y HN 0.555 nan 8.280 nan 0.000 0.455 330 R N 4.994 125.078 120.500 -0.693 0.000 2.409 330 R HA 0.333 4.658 4.340 -0.025 0.000 0.313 330 R C -1.328 174.474 176.300 -0.830 0.000 0.953 330 R CA -0.818 54.922 56.100 -0.600 0.000 0.849 330 R CB 1.948 32.066 30.300 -0.305 0.000 1.171 330 R HN 0.728 nan 8.270 nan 0.000 0.458 331 Q N 2.242 121.659 119.800 -0.638 0.000 2.365 331 Q HA 0.251 4.576 4.340 -0.025 0.000 0.269 331 Q C -0.898 175.001 176.000 -0.169 0.000 1.061 331 Q CA -0.783 54.804 55.803 -0.360 0.000 0.816 331 Q CB 1.939 30.593 28.738 -0.141 0.000 1.325 331 Q HN 0.505 nan 8.270 nan 0.000 0.446 332 N N 2.601 121.244 118.700 -0.095 0.000 2.508 332 N HA 0.028 4.754 4.740 -0.025 0.000 0.264 332 N C -0.396 175.091 175.510 -0.037 0.000 1.216 332 N CA 0.669 53.681 53.050 -0.064 0.000 0.943 332 N CB 0.596 39.057 38.487 -0.044 0.000 1.113 332 N HN 0.862 nan 8.380 nan 0.000 0.447 333 D N -0.091 120.287 120.400 -0.037 0.000 3.856 333 D HA -0.249 4.377 4.640 -0.025 0.000 0.276 333 D C -1.133 175.153 176.300 -0.023 0.000 2.073 333 D CA 0.655 54.641 54.000 -0.024 0.000 1.163 333 D CB -0.296 40.498 40.800 -0.010 0.000 0.937 333 D HN 0.140 nan 8.370 nan 0.000 1.140 334 V N 0.315 120.221 119.914 -0.013 0.000 2.546 334 V HA 0.518 4.623 4.120 -0.025 0.000 0.284 334 V C 0.245 176.341 176.094 0.004 0.000 1.050 334 V CA -0.456 61.837 62.300 -0.011 0.000 0.981 334 V CB 1.292 33.110 31.823 -0.008 0.000 0.990 334 V HN 0.407 nan 8.190 nan 0.000 0.474 335 V N 6.283 126.197 119.914 -0.001 0.000 2.483 335 V HA 0.382 4.487 4.120 -0.025 0.000 0.297 335 V C -0.183 175.913 176.094 0.003 0.000 1.027 335 V CA -0.507 61.806 62.300 0.022 0.000 0.855 335 V CB 1.751 33.591 31.823 0.028 0.000 0.995 335 V HN 0.653 nan 8.190 nan 0.000 0.424 336 L N 6.604 127.842 121.223 0.025 0.000 2.356 336 L HA 0.517 4.842 4.340 -0.025 0.000 0.282 336 L C -0.319 176.563 176.870 0.020 0.000 1.132 336 L CA -0.242 54.607 54.840 0.015 0.000 0.923 336 L CB 0.625 42.698 42.059 0.022 0.000 1.278 336 L HN 0.622 nan 8.230 nan 0.000 0.436 337 V N -0.816 119.087 119.914 -0.018 0.000 2.841 337 V HA 0.614 4.719 4.120 -0.025 0.000 0.310 337 V C -0.551 175.523 176.094 -0.033 0.000 1.090 337 V CA -0.905 61.381 62.300 -0.022 0.000 0.930 337 V CB 2.377 34.133 31.823 -0.112 0.000 1.014 337 V HN 0.339 nan 8.190 nan 0.000 0.425 338 E N 1.698 121.892 120.200 -0.010 0.000 2.214 338 E HA 0.421 4.756 4.350 -0.025 0.000 0.274 338 E C -0.382 176.211 176.600 -0.012 0.000 0.977 338 E CA -0.617 55.776 56.400 -0.012 0.000 0.827 338 E CB 1.809 31.509 29.700 0.001 0.000 1.130 338 E HN 0.856 nan 8.360 nan 0.000 0.394 339 E N 0.085 120.274 120.200 -0.018 0.000 2.437 339 E HA 0.210 4.545 4.350 -0.025 0.000 0.263 339 E C 0.790 177.391 176.600 0.003 0.000 1.030 339 E CA 0.644 57.036 56.400 -0.013 0.000 0.934 339 E CB 0.259 29.948 29.700 -0.018 0.000 0.943 339 E HN 0.821 nan 8.360 nan 0.000 0.444 340 G N 1.219 110.027 108.800 0.012 0.000 2.241 340 G HA2 -0.325 3.620 3.960 -0.025 0.000 0.244 340 G HA3 -0.325 3.620 3.960 -0.025 0.000 0.244 340 G C 0.450 175.369 174.900 0.031 0.000 0.998 340 G CA 0.013 45.125 45.100 0.019 0.000 0.621 340 G HN 0.861 nan 8.290 nan 0.000 0.519 341 A N 0.478 123.320 122.820 0.037 0.000 2.366 341 A HA 0.661 4.967 4.320 -0.025 0.000 0.249 341 A C 0.913 178.549 177.584 0.087 0.000 1.084 341 A CA 1.232 53.305 52.037 0.060 0.000 0.794 341 A CB 0.181 19.224 19.000 0.071 0.000 1.034 341 A HN 1.705 nan 8.150 nan 0.000 0.491 342 T N -0.576 114.034 114.554 0.094 0.000 2.733 342 T HA 0.571 4.906 4.350 -0.025 0.000 0.294 342 T C -0.741 174.056 174.700 0.161 0.000 0.956 342 T CA -0.209 61.950 62.100 0.099 0.000 0.987 342 T CB 0.158 69.056 68.868 0.050 0.000 0.920 342 T HN 0.433 nan 8.240 nan 0.000 0.470 343 F N 2.380 122.321 119.950 -0.015 0.000 2.522 343 F HA 0.742 5.253 4.527 -0.026 0.000 0.324 343 F C -0.367 175.397 175.800 -0.061 0.000 1.077 343 F CA -0.918 57.063 58.000 -0.032 0.000 0.944 343 F CB 1.674 40.660 39.000 -0.022 0.000 1.175 343 F HN 0.927 nan 8.300 nan 0.000 0.468 344 A N 5.967 128.430 122.820 -0.595 0.000 2.413 344 A HA 0.900 5.206 4.320 -0.025 0.000 0.307 344 A C -1.442 175.791 177.584 -0.585 0.000 1.087 344 A CA -0.598 51.189 52.037 -0.416 0.000 0.750 344 A CB 1.333 20.156 19.000 -0.295 0.000 1.296 344 A HN 0.665 nan 8.150 nan 0.000 0.423 345 I N -1.122 119.243 120.570 -0.342 0.000 3.095 345 I HA 0.805 4.960 4.170 -0.025 0.000 0.310 345 I C 0.111 176.115 176.117 -0.188 0.000 1.196 345 I CA -0.769 60.326 61.300 -0.343 0.000 0.985 345 I CB 1.105 38.866 38.000 -0.399 0.000 1.250 345 I HN 0.754 nan 8.210 nan 0.000 0.446 346 G N 2.561 111.278 108.800 -0.138 0.000 2.389 346 G HA2 0.591 4.536 3.960 -0.025 0.000 0.328 346 G HA3 0.591 4.536 3.960 -0.025 0.000 0.328 346 G C -1.145 173.738 174.900 -0.028 0.000 1.133 346 G CA -0.672 44.387 45.100 -0.069 0.000 0.891 346 G HN 0.648 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 0.385 4.710 4.340 -0.025 0.000 0.284 347 L C -2.027 174.841 176.870 -0.004 0.000 1.028 347 L CA -2.103 52.736 54.840 -0.002 0.000 0.835 347 L CB 2.324 44.380 42.059 -0.005 0.000 1.215 347 L HN 0.318 nan 8.230 nan 0.000 0.425 348 P HA 0.283 nan 4.420 nan 0.000 0.286 348 P C -2.480 174.788 177.300 -0.054 0.000 1.321 348 P CA -1.704 61.382 63.100 -0.024 0.000 0.790 348 P CB 1.392 33.083 31.700 -0.015 0.000 0.897 349 P HA -0.216 nan 4.420 nan 0.000 0.215 349 P C 1.089 178.319 177.300 -0.115 0.000 1.157 349 P CA 1.790 64.860 63.100 -0.051 0.000 0.874 349 P CB -0.054 31.640 31.700 -0.010 0.000 0.790 350 E N -1.174 118.909 120.200 -0.196 0.000 2.331 350 E HA -0.170 4.165 4.350 -0.025 0.000 0.199 350 E C 1.745 178.107 176.600 -0.397 0.000 1.008 350 E CA 0.944 57.111 56.400 -0.387 0.000 0.843 350 E CB -0.586 28.645 29.700 -0.780 0.000 0.761 350 E HN 0.103 nan 8.360 nan 0.000 0.507 351 R N -0.453 119.881 120.500 -0.276 0.000 2.334 351 R HA 0.241 4.566 4.340 -0.025 0.000 0.212 351 R C -0.374 175.784 176.300 -0.237 0.000 0.897 351 R CA -0.173 55.756 56.100 -0.286 0.000 1.056 351 R CB -0.051 30.109 30.300 -0.233 0.000 1.046 351 R HN 0.138 nan 8.270 nan 0.000 0.513 352 C N 0.522 119.722 119.300 -0.167 0.000 2.595 352 C HA 0.332 4.777 4.460 -0.025 0.000 0.384 352 C C 0.181 175.035 174.990 -0.227 0.000 1.289 352 C CA -0.470 58.496 59.018 -0.086 0.000 2.372 352 C CB 0.153 27.870 27.740 -0.038 0.000 2.593 352 C HN 0.461 nan 8.230 nan 0.000 0.639 353 H N 0.133 119.152 119.070 -0.085 0.000 2.621 353 H HA 0.777 5.318 4.556 -0.026 0.000 0.360 353 H C -0.802 174.324 175.328 -0.336 0.000 1.163 353 H CA -0.586 55.334 56.048 -0.212 0.000 1.194 353 H CB 1.155 30.842 29.762 -0.126 0.000 1.649 353 H HN 0.439 nan 8.280 nan 0.000 0.532 354 L N 2.534 123.450 121.223 -0.511 0.000 2.438 354 L HA 0.474 4.799 4.340 -0.025 0.000 0.270 354 L C -1.884 174.602 176.870 -0.640 0.000 0.972 354 L CA -0.379 54.222 54.840 -0.399 0.000 0.831 354 L CB 0.632 42.594 42.059 -0.162 0.000 1.273 354 L HN 0.482 nan 8.230 nan 0.000 0.405 355 F N 3.312 123.332 119.950 0.116 0.000 2.495 355 F HA 0.646 5.158 4.527 -0.026 0.000 0.327 355 F C 0.606 176.434 175.800 0.047 0.000 1.103 355 F CA -0.792 57.256 58.000 0.081 0.000 0.949 355 F CB 1.416 40.454 39.000 0.063 0.000 1.142 355 F HN 0.303 nan 8.300 nan 0.000 0.457 356 R N 0.960 121.569 120.500 0.183 0.000 2.726 356 R HA 0.084 4.409 4.340 -0.025 0.000 0.272 356 R C 1.296 177.660 176.300 0.107 0.000 1.097 356 R CA -0.508 55.658 56.100 0.109 0.000 1.198 356 R CB 0.486 30.834 30.300 0.081 0.000 1.114 356 R HN 0.816 nan 8.270 nan 0.000 0.550 357 E N 1.099 121.338 120.200 0.066 0.000 2.209 357 E HA -0.227 4.108 4.350 -0.025 0.000 0.196 357 E C 0.787 177.409 176.600 0.036 0.000 0.993 357 E CA 1.681 58.108 56.400 0.044 0.000 0.819 357 E CB 0.053 29.770 29.700 0.028 0.000 0.745 357 E HN 0.606 nan 8.360 nan 0.000 0.477 358 D N -1.254 119.173 120.400 0.044 0.000 2.363 358 D HA -0.014 4.611 4.640 -0.025 0.000 0.226 358 D C 1.302 177.629 176.300 0.044 0.000 1.020 358 D CA 0.891 54.912 54.000 0.034 0.000 0.892 358 D CB 0.087 40.908 40.800 0.035 0.000 0.900 358 D HN 0.340 nan 8.370 nan 0.000 0.531 359 G N 0.303 109.144 108.800 0.069 0.000 2.205 359 G HA2 -0.303 3.642 3.960 -0.025 0.000 0.261 359 G HA3 -0.303 3.642 3.960 -0.025 0.000 0.261 359 G C 0.572 175.581 174.900 0.182 0.000 0.980 359 G CA 0.686 45.830 45.100 0.073 0.000 0.632 359 G HN 0.806 nan 8.290 nan 0.000 0.533 360 T N -0.769 113.893 114.554 0.180 0.000 2.860 360 T HA 0.711 5.046 4.350 -0.025 0.000 0.299 360 T C 0.492 175.373 174.700 0.302 0.000 1.045 360 T CA 0.581 62.809 62.100 0.214 0.000 1.071 360 T CB 1.972 70.916 68.868 0.126 0.000 0.985 360 T HN 1.738 nan 8.240 nan 0.000 0.537 361 A N 0.847 123.840 122.820 0.289 0.000 2.303 361 A HA 0.549 4.854 4.320 -0.025 0.000 0.317 361 A C 0.280 177.880 177.584 0.027 0.000 1.149 361 A CA -0.948 51.170 52.037 0.135 0.000 0.822 361 A CB 0.320 19.444 19.000 0.207 0.000 1.131 361 A HN 1.042 nan 8.150 nan 0.000 0.493 362 C N 2.620 121.875 119.300 -0.075 0.000 2.192 362 C HA 0.426 4.871 4.460 -0.025 0.000 0.337 362 C C 0.977 175.948 174.990 -0.032 0.000 1.103 362 C CA -0.561 58.434 59.018 -0.039 0.000 1.581 362 C CB -1.534 26.173 27.740 -0.054 0.000 2.070 362 C HN 0.966 nan 8.230 nan 0.000 0.485 363 R N 3.186 123.689 120.500 0.004 0.000 2.560 363 R HA -0.113 4.213 4.340 -0.025 0.000 0.296 363 R C 0.205 176.505 176.300 0.002 0.000 0.873 363 R CA 1.033 57.139 56.100 0.010 0.000 1.140 363 R CB 0.019 30.307 30.300 -0.020 0.000 0.875 363 R HN 0.672 nan 8.270 nan 0.000 0.419 364 R N 4.520 125.053 120.500 0.054 0.000 2.491 364 R HA 0.072 4.397 4.340 -0.025 0.000 0.283 364 R C 0.664 176.995 176.300 0.051 0.000 1.072 364 R CA -0.127 56.011 56.100 0.063 0.000 1.048 364 R CB 0.475 30.857 30.300 0.136 0.000 0.983 364 R HN 0.668 nan 8.270 nan 0.000 0.450 365 L N 1.249 122.498 121.223 0.044 0.000 2.513 365 L HA 0.093 4.418 4.340 -0.025 0.000 0.222 365 L C 0.722 177.622 176.870 0.050 0.000 1.096 365 L CA -0.072 54.779 54.840 0.018 0.000 0.857 365 L CB -0.150 41.914 42.059 0.008 0.000 1.026 365 L HN 0.598 nan 8.230 nan 0.000 0.469 366 H N 2.598 121.675 119.070 0.012 0.000 2.975 366 H HA 0.077 4.617 4.556 -0.026 0.000 0.303 366 H C -0.019 175.340 175.328 0.051 0.000 1.023 366 H CA -0.195 55.857 56.048 0.007 0.000 1.473 366 H CB 0.460 30.207 29.762 -0.026 0.000 1.498 366 H HN -0.180 nan 8.280 nan 0.000 0.549 367 K N 5.017 125.139 120.400 -0.464 0.000 2.416 367 K HA 0.085 4.390 4.320 -0.025 0.000 0.283 367 K C -0.059 176.308 176.600 -0.389 0.000 1.037 367 K CA 0.006 56.117 56.287 -0.292 0.000 0.995 367 K CB 0.583 32.945 32.500 -0.229 0.000 0.938 367 K HN 0.705 nan 8.250 nan 0.000 0.475 368 E N 3.521 123.622 120.200 -0.165 0.000 2.195 368 E HA 0.330 4.665 4.350 -0.025 0.000 0.271 368 E C -2.222 174.250 176.600 -0.212 0.000 0.923 368 E CA -2.017 54.186 56.400 -0.328 0.000 0.790 368 E CB 1.665 30.836 29.700 -0.882 0.000 1.155 368 E HN 0.346 nan 8.360 nan 0.000 0.402 369 P HA 0.116 nan 4.420 nan 0.000 0.271 369 P C 0.546 177.901 177.300 0.091 0.000 1.216 369 P CA 0.258 63.360 63.100 0.003 0.000 0.771 369 P CB 0.804 32.527 31.700 0.038 0.000 0.864 370 G N 1.171 110.028 108.800 0.095 0.000 2.176 370 G HA2 -0.152 3.793 3.960 -0.025 0.000 0.232 370 G HA3 -0.152 3.793 3.960 -0.025 0.000 0.232 370 G C -0.286 174.710 174.900 0.160 0.000 0.986 370 G CA -0.069 45.110 45.100 0.131 0.000 0.643 370 G HN 0.577 nan 8.290 nan 0.000 0.522 371 V N 0.955 120.968 119.914 0.164 0.000 2.531 371 V HA 0.805 4.910 4.120 -0.025 0.000 0.301 371 V C 0.720 176.888 176.094 0.123 0.000 1.034 371 V CA -0.651 61.767 62.300 0.197 0.000 0.865 371 V CB 1.519 33.556 31.823 0.356 0.000 0.995 371 V HN 1.296 nan 8.190 nan 0.000 0.424 372 A N 3.760 126.637 122.820 0.095 0.000 2.545 372 A HA 0.538 4.843 4.320 -0.025 0.000 0.253 372 A C 0.449 178.050 177.584 0.030 0.000 1.074 372 A CA 0.490 52.558 52.037 0.053 0.000 0.760 372 A CB -0.031 18.998 19.000 0.047 0.000 1.005 372 A HN 0.793 nan 8.150 nan 0.000 0.506 373 S N 0.586 116.289 115.700 0.006 0.000 2.549 373 S HA 0.669 5.124 4.470 -0.025 0.000 0.280 373 S C 0.110 174.690 174.600 -0.032 0.000 1.109 373 S CA -0.022 58.161 58.200 -0.029 0.000 0.905 373 S CB 1.760 64.937 63.200 -0.040 0.000 1.081 373 S HN 1.450 nan 8.310 nan 0.000 0.477 374 A N 1.920 124.714 122.820 -0.045 0.000 2.511 374 A HA 0.711 5.016 4.320 -0.025 0.000 0.242 374 A C 0.540 178.102 177.584 -0.036 0.000 1.069 374 A CA 0.277 52.292 52.037 -0.036 0.000 0.763 374 A CB 0.044 19.020 19.000 -0.040 0.000 1.001 374 A HN 1.059 nan 8.150 nan 0.000 0.498 375 S N 0.000 115.684 115.700 -0.027 0.000 2.498 375 S HA 0.000 4.455 4.470 -0.025 0.000 0.327 375 S CA 0.000 58.185 58.200 -0.025 0.000 1.107 375 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 375 S HN 0.000 nan 8.310 nan 0.000 0.517