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 2dkf_1_A DATA FIRST_RESID 2 DATA SEQUENCE RIVPFGAARE VTGSAHLLLA GGRRVLLDCG XFQGKEEARN HAPFGFDPKE DATA SEQUENCE VDAVLLTHAH LDHVGRLPKL FREGYRGPVY ATRATVLLXE IVLEDALKVX DATA SEQUENCE DEPFFGPEDV EEALGHLRPL EYGEWLRLGA LSLAFGQAGH LPGSAFVVAQ DATA SEQUENCE GEGRTLVYSG DLGNREKDVL PDPSLPPLAD LVLAEGTYGD RPHRPYRETV DATA SEQUENCE REFLEILEKT LSQGGKVLIP TFAVERAQEI LYVLYTHGHR LPRAPIYLDS DATA SEQUENCE PXAGRVLSLY PRLVRYFSEE VQAHFLQGKN PFRPAGLEVV EHTEASKALN DATA SEQUENCE RAPGPXVVLA GSGXLAGGRI LHHLKHGLSD PRNALVFVGY QPQGGLGAEI DATA SEQUENCE IARPPAVRIL GEEVPLRASV HTLGGFSGHA GQDELLDWLQ GEPRVVLVHG DATA SEQUENCE EEEKLLALGK LLALRGQEVS LARFGEGVPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.284 176.300 -0.026 0.000 0.893 2 R CA 0.000 56.090 56.100 -0.018 0.000 0.921 2 R CB 0.000 30.289 30.300 -0.019 0.000 0.687 3 I N 3.147 123.697 120.570 -0.034 0.000 2.404 3 I HA 0.424 4.595 4.170 0.001 0.000 0.293 3 I C -0.860 175.210 176.117 -0.077 0.000 0.992 3 I CA -1.085 60.188 61.300 -0.045 0.000 1.149 3 I CB 2.123 40.103 38.000 -0.034 0.000 1.315 3 I HN 0.577 nan 8.210 nan 0.000 0.446 4 V N 9.525 129.374 119.914 -0.109 0.000 2.350 4 V HA 0.329 4.449 4.120 0.001 0.000 0.285 4 V C -2.319 173.518 176.094 -0.429 0.000 1.014 4 V CA -1.868 60.270 62.300 -0.269 0.000 0.831 4 V CB 1.344 32.989 31.823 -0.296 0.000 1.000 4 V HN 0.608 nan 8.190 nan 0.000 0.433 5 P HA 0.127 nan 4.420 nan 0.000 0.259 5 P C -0.310 176.466 177.300 -0.874 0.000 1.211 5 P CA 0.473 63.331 63.100 -0.404 0.000 0.810 5 P CB -0.055 31.534 31.700 -0.186 0.000 0.815 6 F N 2.365 121.956 119.950 -0.599 0.000 2.698 6 F HA 0.381 4.909 4.527 0.001 0.000 0.304 6 F C 1.536 177.206 175.800 -0.217 0.000 1.108 6 F CA 0.173 57.841 58.000 -0.554 0.000 1.263 6 F CB 0.627 39.495 39.000 -0.220 0.000 1.013 6 F HN 0.349 nan 8.300 nan 0.000 0.532 7 G N -0.481 108.220 108.800 -0.165 0.000 2.938 7 G HA2 0.317 4.277 3.960 0.001 0.000 0.144 7 G HA3 0.317 4.277 3.960 0.001 0.000 0.144 7 G C 0.413 175.382 174.900 0.116 0.000 1.366 7 G CA 0.301 45.414 45.100 0.021 0.000 0.852 7 G HN 0.059 nan 8.290 nan 0.000 0.638 8 A N 1.099 123.964 122.820 0.074 0.000 3.033 8 A HA 0.714 5.034 4.320 0.001 0.000 0.250 8 A C 0.801 178.481 177.584 0.161 0.000 1.633 8 A CA 0.707 52.814 52.037 0.117 0.000 1.290 8 A CB -1.055 18.021 19.000 0.127 0.000 1.048 8 A HN 1.266 nan 8.150 nan 0.000 0.648 9 A N 0.480 123.403 122.820 0.171 0.000 2.347 9 A HA 0.554 4.875 4.320 0.001 0.000 0.287 9 A C 1.012 178.660 177.584 0.106 0.000 1.199 9 A CA -0.632 51.491 52.037 0.143 0.000 0.851 9 A CB -0.219 18.882 19.000 0.169 0.000 1.118 9 A HN 0.716 nan 8.150 nan 0.000 0.525 10 R N -0.191 120.353 120.500 0.074 0.000 3.722 10 R HA -0.230 4.111 4.340 0.001 0.000 0.284 10 R C 0.047 176.363 176.300 0.028 0.000 1.165 10 R CA 1.967 58.092 56.100 0.042 0.000 0.779 10 R CB -1.869 28.450 30.300 0.032 0.000 1.179 10 R HN 1.020 nan 8.270 nan 0.000 0.491 11 E N -2.724 117.495 120.200 0.033 0.000 2.407 11 E HA 0.373 4.724 4.350 0.001 0.000 0.279 11 E C -0.192 176.374 176.600 -0.057 0.000 1.012 11 E CA -0.484 55.919 56.400 0.006 0.000 0.800 11 E CB 1.263 30.994 29.700 0.052 0.000 1.276 11 E HN -0.053 nan 8.360 nan 0.000 0.452 12 V N 1.197 121.029 119.914 -0.137 0.000 2.878 12 V HA 0.039 4.159 4.120 0.001 0.000 0.250 12 V C 0.729 176.560 176.094 -0.439 0.000 1.075 12 V CA 2.055 64.121 62.300 -0.391 0.000 1.096 12 V CB -0.048 31.598 31.823 -0.295 0.000 0.724 12 V HN 0.848 nan 8.190 nan 0.000 0.467 13 T N -2.813 111.640 114.554 -0.167 0.000 2.862 13 T HA 0.577 4.928 4.350 0.001 0.000 0.276 13 T C 1.188 175.760 174.700 -0.212 0.000 0.974 13 T CA 0.288 62.301 62.100 -0.145 0.000 0.966 13 T CB 1.027 69.894 68.868 -0.002 0.000 1.072 13 T HN 1.448 nan 8.240 nan 0.000 0.538 14 G N 0.136 108.636 108.800 -0.500 0.000 2.179 14 G HA2 -0.287 3.673 3.960 0.001 0.000 0.260 14 G HA3 -0.287 3.673 3.960 0.001 0.000 0.260 14 G C 0.380 174.987 174.900 -0.489 0.000 0.977 14 G CA 0.164 44.664 45.100 -0.999 0.000 0.641 14 G HN 1.147 nan 8.290 nan 0.000 0.533 15 S N 0.791 116.303 115.700 -0.312 0.000 3.631 15 S HA 0.361 4.832 4.470 0.001 0.000 0.431 15 S C 0.583 175.129 174.600 -0.091 0.000 1.132 15 S CA 1.207 59.328 58.200 -0.131 0.000 1.188 15 S CB -0.300 62.725 63.200 -0.291 0.000 0.805 15 S HN 1.940 nan 8.310 nan 0.000 0.526 16 A N 5.400 128.083 122.820 -0.228 0.000 2.485 16 A HA 0.578 4.899 4.320 0.001 0.000 0.285 16 A C -1.365 175.908 177.584 -0.517 0.000 1.045 16 A CA -0.773 51.164 52.037 -0.166 0.000 0.792 16 A CB 0.908 19.919 19.000 0.017 0.000 1.307 16 A HN 0.829 nan 8.150 nan 0.000 0.406 17 H N 1.421 120.411 119.070 -0.132 0.000 2.823 17 H HA 0.536 5.092 4.556 0.001 0.000 0.332 17 H C -0.753 174.459 175.328 -0.193 0.000 0.980 17 H CA -0.590 55.346 56.048 -0.186 0.000 1.286 17 H CB 1.702 31.242 29.762 -0.371 0.000 1.541 17 H HN 0.542 nan 8.280 nan 0.000 0.521 18 L N 3.590 124.777 121.223 -0.061 0.000 2.290 18 L HA 0.316 4.657 4.340 0.001 0.000 0.284 18 L C -1.010 175.805 176.870 -0.092 0.000 1.078 18 L CA -0.767 53.977 54.840 -0.161 0.000 0.815 18 L CB 0.490 42.425 42.059 -0.208 0.000 1.162 18 L HN 0.575 nan 8.230 nan 0.000 0.435 19 L N 6.642 127.806 121.223 -0.099 0.000 2.280 19 L HA 0.527 4.867 4.340 0.001 0.000 0.287 19 L C -1.283 175.555 176.870 -0.053 0.000 1.023 19 L CA -0.116 54.690 54.840 -0.057 0.000 0.819 19 L CB 0.992 43.029 42.059 -0.036 0.000 1.212 19 L HN 0.522 nan 8.230 nan 0.000 0.420 20 L N 6.499 127.701 121.223 -0.035 0.000 2.295 20 L HA 0.931 5.271 4.340 0.001 0.000 0.281 20 L C -0.040 176.822 176.870 -0.014 0.000 1.018 20 L CA -0.167 54.658 54.840 -0.024 0.000 0.841 20 L CB 0.963 43.013 42.059 -0.015 0.000 1.218 20 L HN 0.865 nan 8.230 nan 0.000 0.424 21 A N 1.530 124.342 122.820 -0.012 0.000 2.511 21 A HA 0.682 5.003 4.320 0.001 0.000 0.293 21 A C 0.580 178.161 177.584 -0.006 0.000 1.098 21 A CA -0.072 51.962 52.037 -0.006 0.000 0.643 21 A CB 0.521 19.520 19.000 -0.003 0.000 1.302 21 A HN 0.823 nan 8.150 nan 0.000 0.446 22 G N -0.756 108.042 108.800 -0.004 0.000 2.420 22 G HA2 0.157 4.117 3.960 0.001 0.000 0.305 22 G HA3 0.157 4.117 3.960 0.001 0.000 0.305 22 G C 1.875 176.772 174.900 -0.004 0.000 0.971 22 G CA 1.800 46.897 45.100 -0.005 0.000 0.843 22 G HN 2.865 nan 8.290 nan 0.000 0.512 23 G N -2.013 106.785 108.800 -0.003 0.000 2.249 23 G HA2 -0.232 3.729 3.960 0.001 0.000 0.273 23 G HA3 -0.232 3.729 3.960 0.001 0.000 0.273 23 G C 0.412 175.312 174.900 -0.001 0.000 1.036 23 G CA 1.121 46.220 45.100 -0.002 0.000 0.824 23 G HN 0.903 nan 8.290 nan 0.000 0.504 24 R N -1.138 119.360 120.500 -0.004 0.000 2.905 24 R HA 0.717 5.057 4.340 0.001 0.000 0.260 24 R C -0.013 176.280 176.300 -0.013 0.000 1.086 24 R CA -0.961 55.137 56.100 -0.004 0.000 0.978 24 R CB 1.152 31.451 30.300 -0.003 0.000 1.215 24 R HN 0.335 nan 8.270 nan 0.000 0.480 25 R N 0.570 121.060 120.500 -0.016 0.000 2.521 25 R HA 0.321 4.661 4.340 0.001 0.000 0.295 25 R C -0.548 175.716 176.300 -0.059 0.000 1.183 25 R CA -0.657 55.415 56.100 -0.046 0.000 0.957 25 R CB 1.740 32.011 30.300 -0.049 0.000 1.171 25 R HN 0.430 nan 8.270 nan 0.000 0.494 26 V N 1.005 120.876 119.914 -0.071 0.000 2.435 26 V HA 0.519 4.640 4.120 0.001 0.000 0.290 26 V C -0.016 176.001 176.094 -0.129 0.000 1.030 26 V CA -0.930 61.328 62.300 -0.070 0.000 0.881 26 V CB 1.742 33.544 31.823 -0.035 0.000 0.983 26 V HN 0.639 nan 8.190 nan 0.000 0.445 27 L N 5.286 126.408 121.223 -0.169 0.000 2.290 27 L HA 0.407 4.748 4.340 0.001 0.000 0.284 27 L C -0.839 175.985 176.870 -0.077 0.000 1.078 27 L CA -0.612 54.098 54.840 -0.217 0.000 0.815 27 L CB 1.421 43.298 42.059 -0.303 0.000 1.162 27 L HN 0.628 nan 8.230 nan 0.000 0.435 28 L N 5.195 126.388 121.223 -0.050 0.000 2.272 28 L HA 0.377 4.717 4.340 0.001 0.000 0.284 28 L C -0.486 176.465 176.870 0.135 0.000 1.045 28 L CA 0.121 55.001 54.840 0.067 0.000 0.842 28 L CB 0.122 42.168 42.059 -0.022 0.000 1.224 28 L HN 0.563 nan 8.230 nan 0.000 0.430 29 D N 1.234 121.754 120.400 0.200 0.000 10.806 29 D HA -0.250 4.391 4.640 0.001 0.000 0.351 29 D C -0.428 175.932 176.300 0.100 0.000 3.130 29 D CA 0.408 54.539 54.000 0.218 0.000 2.646 29 D CB -0.256 40.777 40.800 0.388 0.000 1.204 29 D HN 0.642 nan 8.370 nan 0.000 0.941 30 C N 2.544 121.896 119.300 0.086 0.000 3.319 30 C HA 0.624 5.085 4.460 0.001 0.000 0.200 30 C C 0.690 175.716 174.990 0.060 0.000 1.332 30 C CA 0.514 59.572 59.018 0.066 0.000 1.170 30 C CB -0.705 27.062 27.740 0.046 0.000 1.855 30 C HN 0.663 nan 8.230 nan 0.000 0.593 34 Q N 0.516 120.408 119.800 0.153 0.000 2.456 34 Q HA 0.709 5.050 4.340 0.001 0.000 0.283 34 Q C 0.309 176.355 176.000 0.077 0.000 1.084 34 Q CA -0.488 55.372 55.803 0.096 0.000 0.801 34 Q CB 3.029 31.804 28.738 0.061 0.000 1.434 34 Q HN 1.049 nan 8.270 nan 0.000 0.419 35 G N 1.823 110.663 108.800 0.067 0.000 2.536 35 G HA2 -0.364 3.596 3.960 0.001 0.000 0.277 35 G HA3 -0.364 3.596 3.960 0.001 0.000 0.277 35 G C 0.691 175.614 174.900 0.038 0.000 1.155 35 G CA 0.450 45.582 45.100 0.053 0.000 0.960 35 G HN 0.638 nan 8.290 nan 0.000 0.544 36 K N 1.118 121.531 120.400 0.022 0.000 2.103 36 K HA 0.046 4.366 4.320 0.001 0.000 0.204 36 K C 1.491 178.080 176.600 -0.019 0.000 1.052 36 K CA 1.862 58.150 56.287 0.002 0.000 0.945 36 K CB -0.259 32.236 32.500 -0.007 0.000 0.722 36 K HN 0.495 nan 8.250 nan 0.000 0.443 37 E N 1.878 122.069 120.200 -0.014 0.000 2.461 37 E HA 0.024 4.375 4.350 0.001 0.000 0.196 37 E C 0.437 177.010 176.600 -0.046 0.000 1.129 37 E CA 0.163 56.525 56.400 -0.065 0.000 0.902 37 E CB -0.081 29.599 29.700 -0.034 0.000 0.963 37 E HN 0.329 nan 8.360 nan 0.000 0.503 38 E N 0.341 120.541 120.200 -0.001 0.000 3.787 38 E HA -0.011 4.339 4.350 0.001 0.000 0.418 38 E C 1.376 177.946 176.600 -0.051 0.000 1.529 38 E CA 0.792 57.198 56.400 0.010 0.000 2.366 38 E CB 0.178 29.901 29.700 0.037 0.000 1.118 38 E HN 0.043 nan 8.360 nan 0.000 0.671 39 A N -0.170 122.644 122.820 -0.009 0.000 2.072 39 A HA -0.364 3.956 4.320 0.001 0.000 0.230 39 A C 1.601 179.142 177.584 -0.071 0.000 0.398 39 A CA 2.505 54.587 52.037 0.075 0.000 1.102 39 A CB -1.572 17.440 19.000 0.020 0.000 1.440 39 A HN 0.570 nan 8.150 nan 0.000 0.705 40 R N 0.259 120.629 120.500 -0.215 0.000 2.377 40 R HA -0.031 4.309 4.340 0.001 0.000 0.207 40 R C 1.362 177.514 176.300 -0.246 0.000 1.075 40 R CA 1.137 57.031 56.100 -0.344 0.000 1.035 40 R CB -0.582 29.239 30.300 -0.799 0.000 0.857 40 R HN 0.868 nan 8.270 nan 0.000 0.475 41 N N -0.949 117.529 118.700 -0.369 0.000 2.424 41 N HA -0.050 4.691 4.740 0.001 0.000 0.178 41 N C 0.909 175.892 175.510 -0.880 0.000 1.060 41 N CA 0.291 52.866 53.050 -0.791 0.000 0.901 41 N CB 0.205 37.812 38.487 -1.467 0.000 0.979 41 N HN 0.354 nan 8.380 nan 0.000 0.451 42 H N 0.149 118.989 119.070 -0.383 0.000 2.465 42 H HA 0.251 4.808 4.556 0.001 0.000 0.289 42 H C 1.208 176.420 175.328 -0.193 0.000 1.022 42 H CA 0.311 56.231 56.048 -0.213 0.000 1.340 42 H CB 0.297 29.985 29.762 -0.124 0.000 1.437 42 H HN 0.135 nan 8.280 nan 0.000 0.539 43 A N 1.746 124.496 122.820 -0.118 0.000 2.261 43 A HA 0.263 4.583 4.320 0.001 0.000 0.275 43 A C -1.898 175.553 177.584 -0.221 0.000 1.246 43 A CA -0.686 51.264 52.037 -0.145 0.000 0.810 43 A CB -0.317 18.577 19.000 -0.177 0.000 1.168 43 A HN 0.164 nan 8.150 nan 0.000 0.506 44 P HA 0.538 nan 4.420 nan 0.000 0.298 44 P C -1.398 175.775 177.300 -0.212 0.000 1.341 44 P CA -0.663 62.265 63.100 -0.287 0.000 1.032 44 P CB 1.157 32.782 31.700 -0.125 0.000 1.386 45 F N -0.121 119.713 119.950 -0.194 0.000 2.495 45 F HA 0.310 4.838 4.527 0.001 0.000 0.365 45 F C 2.055 177.713 175.800 -0.237 0.000 1.090 45 F CA -0.165 57.680 58.000 -0.258 0.000 1.235 45 F CB -0.328 38.057 39.000 -1.025 0.000 1.119 45 F HN 0.374 nan 8.300 nan 0.000 0.562 46 G N 3.633 112.665 108.800 0.388 0.000 3.158 46 G HA2 0.076 4.036 3.960 0.001 0.000 0.204 46 G HA3 0.076 4.036 3.960 0.001 0.000 0.204 46 G C -0.318 174.675 174.900 0.154 0.000 1.226 46 G CA 0.157 45.511 45.100 0.423 0.000 1.039 46 G HN 0.632 nan 8.290 nan 0.000 0.496 47 F N -2.496 117.299 119.950 -0.260 0.000 2.664 47 F HA 0.627 5.154 4.527 0.001 0.000 0.317 47 F C -1.175 174.522 175.800 -0.172 0.000 1.108 47 F CA -2.529 55.278 58.000 -0.322 0.000 0.957 47 F CB 1.203 39.768 39.000 -0.725 0.000 1.365 47 F HN -0.116 nan 8.300 nan 0.000 0.475 48 D N 3.299 123.718 120.400 0.032 0.000 2.411 48 D HA 0.362 5.002 4.640 0.001 0.000 0.225 48 D C -1.485 174.800 176.300 -0.026 0.000 1.156 48 D CA -2.639 51.341 54.000 -0.034 0.000 0.874 48 D CB 1.219 42.032 40.800 0.021 0.000 1.034 48 D HN 0.266 nan 8.370 nan 0.000 0.502 49 P HA -0.246 nan 4.420 nan 0.000 0.218 49 P C 0.726 178.036 177.300 0.016 0.000 1.152 49 P CA 1.305 64.307 63.100 -0.163 0.000 0.857 49 P CB 0.294 31.863 31.700 -0.218 0.000 0.787 50 K N -0.664 119.740 120.400 0.007 0.000 2.439 50 K HA -0.059 4.261 4.320 0.001 0.000 0.197 50 K C 1.474 178.091 176.600 0.029 0.000 1.041 50 K CA 0.683 56.978 56.287 0.013 0.000 0.970 50 K CB -0.047 32.449 32.500 -0.007 0.000 0.773 50 K HN 0.125 nan 8.250 nan 0.000 0.479 51 E N 0.536 120.763 120.200 0.046 0.000 2.463 51 E HA 0.039 4.389 4.350 0.001 0.000 0.193 51 E C -0.249 176.382 176.600 0.050 0.000 1.041 51 E CA 0.071 56.495 56.400 0.040 0.000 0.879 51 E CB 0.344 30.065 29.700 0.036 0.000 0.997 51 E HN -0.047 nan 8.360 nan 0.000 0.478 52 V N 2.273 122.245 119.914 0.097 0.000 2.530 52 V HA 0.026 4.146 4.120 0.001 0.000 0.282 52 V C 1.177 177.390 176.094 0.198 0.000 1.048 52 V CA -0.039 62.317 62.300 0.093 0.000 0.997 52 V CB 1.396 33.213 31.823 -0.010 0.000 0.987 52 V HN 0.018 nan 8.190 nan 0.000 0.477 53 D N 2.692 123.162 120.400 0.116 0.000 2.271 53 D HA 0.333 4.973 4.640 0.001 0.000 0.206 53 D C 0.553 176.967 176.300 0.190 0.000 0.967 53 D CA 1.232 55.301 54.000 0.114 0.000 0.867 53 D CB 0.920 41.752 40.800 0.055 0.000 0.960 53 D HN 0.709 nan 8.370 nan 0.000 0.509 54 A N -0.010 122.933 122.820 0.206 0.000 2.586 54 A HA 0.446 4.766 4.320 0.001 0.000 0.296 54 A C -1.641 176.019 177.584 0.127 0.000 1.040 54 A CA -0.623 51.578 52.037 0.273 0.000 0.701 54 A CB 1.268 20.425 19.000 0.261 0.000 1.277 54 A HN -0.026 nan 8.150 nan 0.000 0.413 55 V N 1.915 121.920 119.914 0.152 0.000 2.604 55 V HA 0.869 4.989 4.120 0.001 0.000 0.305 55 V C -1.601 174.612 176.094 0.199 0.000 1.043 55 V CA -0.765 61.564 62.300 0.048 0.000 0.888 55 V CB 1.375 33.113 31.823 -0.142 0.000 0.995 55 V HN 0.924 nan 8.190 nan 0.000 0.429 56 L N 6.493 127.819 121.223 0.170 0.000 2.307 56 L HA 0.623 4.964 4.340 0.001 0.000 0.284 56 L C -0.603 176.446 176.870 0.298 0.000 1.023 56 L CA -0.327 54.665 54.840 0.254 0.000 0.810 56 L CB 1.583 43.736 42.059 0.157 0.000 1.231 56 L HN 0.579 nan 8.230 nan 0.000 0.423 57 L N 2.932 124.357 121.223 0.337 0.000 2.287 57 L HA 0.520 4.861 4.340 0.001 0.000 0.287 57 L C 0.306 177.255 176.870 0.131 0.000 1.022 57 L CA -0.253 54.714 54.840 0.212 0.000 0.814 57 L CB 1.530 43.656 42.059 0.111 0.000 1.217 57 L HN 0.722 nan 8.230 nan 0.000 0.420 58 T N 2.036 116.667 114.554 0.127 0.000 2.845 58 T HA 0.459 4.810 4.350 0.001 0.000 0.288 58 T C 0.234 174.915 174.700 -0.033 0.000 0.980 58 T CA -0.365 61.733 62.100 -0.003 0.000 1.071 58 T CB 0.502 69.439 68.868 0.115 0.000 0.941 58 T HN 0.813 nan 8.240 nan 0.000 0.487 59 H N 1.533 120.438 119.070 -0.275 0.000 2.883 59 H HA -0.274 4.282 4.556 0.001 0.000 0.311 59 H C 0.213 175.437 175.328 -0.174 0.000 1.014 59 H CA 0.163 56.056 56.048 -0.258 0.000 1.179 59 H CB -1.093 28.518 29.762 -0.251 0.000 1.026 59 H HN 1.100 nan 8.280 nan 0.000 0.734 60 A N 2.190 124.923 122.820 -0.145 0.000 2.415 60 A HA 0.126 4.446 4.320 0.001 0.000 0.248 60 A C 0.658 178.196 177.584 -0.077 0.000 1.299 60 A CA 0.105 52.054 52.037 -0.147 0.000 0.899 60 A CB -0.502 18.413 19.000 -0.142 0.000 0.997 60 A HN 0.737 nan 8.150 nan 0.000 0.506 61 H N -1.517 117.503 119.070 -0.083 0.000 2.822 61 H HA 0.115 4.671 4.556 0.001 0.000 0.373 61 H C 1.349 176.689 175.328 0.020 0.000 1.223 61 H CA -0.411 55.653 56.048 0.027 0.000 1.436 61 H CB 0.730 30.604 29.762 0.186 0.000 1.439 61 H HN 0.200 nan 8.280 nan 0.000 0.618 62 L N 1.249 122.595 121.223 0.205 0.000 2.017 62 L HA -0.125 4.215 4.340 0.001 0.000 0.208 62 L C 0.839 177.770 176.870 0.102 0.000 1.073 62 L CA 1.439 56.352 54.840 0.122 0.000 0.745 62 L CB -0.630 41.493 42.059 0.106 0.000 0.894 62 L HN 0.759 nan 8.230 nan 0.000 0.432 63 D N -2.529 117.933 120.400 0.104 0.000 2.363 63 D HA -0.074 4.567 4.640 0.001 0.000 0.240 63 D C 0.719 177.077 176.300 0.097 0.000 1.236 63 D CA 0.296 54.302 54.000 0.010 0.000 0.927 63 D CB 0.117 40.892 40.800 -0.041 0.000 1.150 63 D HN 0.391 nan 8.370 nan 0.000 0.458 64 H N -1.487 117.582 119.070 -0.001 0.000 4.737 64 H HA -0.187 4.370 4.556 0.001 0.000 0.093 64 H C 0.892 176.201 175.328 -0.030 0.000 0.595 64 H CA 1.567 57.606 56.048 -0.014 0.000 1.158 64 H CB -1.015 28.627 29.762 -0.200 0.000 0.523 64 H HN 0.336 nan 8.280 nan 0.000 0.687 65 V N 0.068 120.033 119.914 0.085 0.000 3.400 65 V HA 0.230 4.350 4.120 0.001 0.000 0.281 65 V C 2.019 178.125 176.094 0.020 0.000 1.617 65 V CA 1.115 63.439 62.300 0.040 0.000 1.044 65 V CB 1.029 32.854 31.823 0.003 0.000 0.858 65 V HN 0.539 nan 8.190 nan 0.000 0.425 66 G N -0.011 108.814 108.800 0.043 0.000 2.534 66 G HA2 -0.141 3.819 3.960 0.001 0.000 0.217 66 G HA3 -0.141 3.819 3.960 0.001 0.000 0.217 66 G C 1.460 176.416 174.900 0.092 0.000 1.128 66 G CA 0.438 45.575 45.100 0.062 0.000 0.784 66 G HN 0.429 nan 8.290 nan 0.000 0.542 67 R N -0.890 119.688 120.500 0.131 0.000 2.290 67 R HA 0.240 4.581 4.340 0.001 0.000 0.197 67 R C 2.131 178.539 176.300 0.180 0.000 0.913 67 R CA -0.288 55.966 56.100 0.257 0.000 1.040 67 R CB -0.125 30.346 30.300 0.285 0.000 0.992 67 R HN 0.314 nan 8.270 nan 0.000 0.500 68 L N 2.847 124.120 121.223 0.083 0.000 2.051 68 L HA -0.151 4.189 4.340 0.001 0.000 0.214 68 L C -1.006 175.963 176.870 0.166 0.000 1.076 68 L CA 2.161 57.071 54.840 0.117 0.000 0.758 68 L CB -0.759 41.348 42.059 0.080 0.000 0.890 68 L HN 0.051 nan 8.230 nan 0.000 0.433 69 P HA -0.238 nan 4.420 nan 0.000 0.218 69 P C 1.417 178.747 177.300 0.049 0.000 1.149 69 P CA 1.635 64.622 63.100 -0.189 0.000 0.817 69 P CB -0.195 31.020 31.700 -0.810 0.000 0.785 70 K N -0.006 120.445 120.400 0.085 0.000 2.147 70 K HA -0.125 4.195 4.320 0.001 0.000 0.205 70 K C 2.184 179.010 176.600 0.377 0.000 1.049 70 K CA 0.734 57.215 56.287 0.323 0.000 0.936 70 K CB -0.562 32.222 32.500 0.474 0.000 0.722 70 K HN 0.023 nan 8.250 nan 0.000 0.446 71 L N 0.394 121.827 121.223 0.350 0.000 2.201 71 L HA -0.080 4.261 4.340 0.001 0.000 0.212 71 L C 1.656 178.533 176.870 0.012 0.000 1.105 71 L CA 1.417 56.315 54.840 0.096 0.000 0.775 71 L CB -0.158 41.790 42.059 -0.185 0.000 0.913 71 L HN 0.104 nan 8.230 nan 0.000 0.440 72 F N -0.687 119.322 119.950 0.098 0.000 2.262 72 F HA 0.042 4.569 4.527 0.001 0.000 0.292 72 F C 2.647 178.500 175.800 0.088 0.000 1.081 72 F CA 1.168 59.223 58.000 0.091 0.000 1.355 72 F CB -0.457 38.576 39.000 0.055 0.000 1.069 72 F HN -0.019 nan 8.300 nan 0.000 0.506 73 R N 1.219 121.891 120.500 0.287 0.000 2.127 73 R HA -0.169 4.172 4.340 0.001 0.000 0.238 73 R C 0.822 177.220 176.300 0.162 0.000 1.134 73 R CA 1.851 58.078 56.100 0.212 0.000 0.975 73 R CB -0.401 30.034 30.300 0.226 0.000 0.865 73 R HN 0.305 nan 8.270 nan 0.000 0.447 74 E N -0.907 119.390 120.200 0.161 0.000 2.335 74 E HA 0.138 4.489 4.350 0.001 0.000 0.191 74 E C 0.462 177.097 176.600 0.058 0.000 1.077 74 E CA 0.239 56.709 56.400 0.116 0.000 1.010 74 E CB 0.901 30.698 29.700 0.161 0.000 1.141 74 E HN 0.678 nan 8.360 nan 0.000 0.452 75 G N 1.401 110.228 108.800 0.045 0.000 2.792 75 G HA2 -0.323 3.637 3.960 0.001 0.000 0.201 75 G HA3 -0.323 3.637 3.960 0.001 0.000 0.201 75 G C 0.055 174.904 174.900 -0.085 0.000 1.322 75 G CA -0.290 44.806 45.100 -0.006 0.000 0.910 75 G HN 0.406 nan 8.290 nan 0.000 0.535 76 Y N 2.914 123.045 120.300 -0.280 0.000 3.119 76 Y HA 0.207 4.758 4.550 0.000 0.000 0.348 76 Y C 1.454 177.009 175.900 -0.574 0.000 1.267 76 Y CA 1.590 59.408 58.100 -0.470 0.000 1.578 76 Y CB 0.494 38.533 38.460 -0.702 0.000 1.198 76 Y HN 0.315 nan 8.280 nan 0.000 0.615 77 R N 3.829 123.601 120.500 -1.214 0.000 2.527 77 R HA 0.186 4.527 4.340 0.001 0.000 0.402 77 R C 0.399 176.145 176.300 -0.923 0.000 0.933 77 R CA 0.380 55.962 56.100 -0.864 0.000 1.171 77 R CB 0.365 30.482 30.300 -0.304 0.000 1.612 77 R HN 0.822 nan 8.270 nan 0.000 0.546 78 G N 2.436 110.265 108.800 -1.618 0.000 2.621 78 G HA2 0.333 4.293 3.960 0.001 0.000 0.271 78 G HA3 0.333 4.293 3.960 0.001 0.000 0.271 78 G C -2.341 172.479 174.900 -0.133 0.000 1.236 78 G CA -0.702 43.972 45.100 -0.711 0.000 0.958 78 G HN -0.130 nan 8.290 nan 0.000 0.512 79 P HA 0.311 nan 4.420 nan 0.000 0.276 79 P C -0.867 176.567 177.300 0.223 0.000 1.252 79 P CA -0.349 62.838 63.100 0.144 0.000 0.802 79 P CB 1.670 33.319 31.700 -0.084 0.000 1.035 80 V N 2.202 122.160 119.914 0.074 0.000 2.419 80 V HA 0.225 4.345 4.120 0.001 0.000 0.287 80 V C -0.624 175.450 176.094 -0.033 0.000 1.017 80 V CA -0.504 61.882 62.300 0.143 0.000 0.844 80 V CB 0.338 32.302 31.823 0.235 0.000 1.011 80 V HN 0.367 nan 8.190 nan 0.000 0.429 81 Y N 2.857 123.228 120.300 0.118 0.000 2.299 81 Y HA 0.797 5.347 4.550 0.001 0.000 0.326 81 Y C 0.577 176.592 175.900 0.192 0.000 1.164 81 Y CA -0.172 57.990 58.100 0.103 0.000 1.234 81 Y CB 1.598 40.066 38.460 0.015 0.000 1.219 81 Y HN 0.771 nan 8.280 nan 0.000 0.497 82 A N 0.515 123.522 122.820 0.311 0.000 2.586 82 A HA 0.653 4.973 4.320 0.001 0.000 0.290 82 A C -0.432 177.207 177.584 0.092 0.000 1.086 82 A CA -0.652 51.516 52.037 0.218 0.000 0.665 82 A CB 0.423 19.448 19.000 0.041 0.000 1.279 82 A HN 0.689 nan 8.150 nan 0.000 0.423 83 T N -1.247 113.217 114.554 -0.150 0.000 2.849 83 T HA 0.438 4.788 4.350 0.001 0.000 0.284 83 T C 1.104 175.695 174.700 -0.182 0.000 1.004 83 T CA -0.077 61.907 62.100 -0.193 0.000 1.021 83 T CB 0.744 69.363 68.868 -0.414 0.000 1.013 83 T HN 0.604 nan 8.240 nan 0.000 0.527 84 R N 1.218 121.664 120.500 -0.089 0.000 2.094 84 R HA -0.023 4.317 4.340 0.001 0.000 0.239 84 R C 2.846 178.991 176.300 -0.259 0.000 1.137 84 R CA 2.013 58.061 56.100 -0.087 0.000 0.943 84 R CB -1.472 28.867 30.300 0.066 0.000 0.850 84 R HN 0.882 nan 8.270 nan 0.000 0.433 85 A N -0.436 122.009 122.820 -0.625 0.000 1.917 85 A HA -0.228 4.092 4.320 0.001 0.000 0.219 85 A C 2.186 179.489 177.584 -0.468 0.000 1.182 85 A CA 2.366 53.947 52.037 -0.759 0.000 0.633 85 A CB -1.071 16.983 19.000 -1.576 0.000 0.819 85 A HN 0.412 nan 8.150 nan 0.000 0.448 86 T N -0.485 113.810 114.554 -0.431 0.000 2.821 86 T HA -0.071 4.279 4.350 0.001 0.000 0.267 86 T C 1.889 176.474 174.700 -0.191 0.000 1.046 86 T CA 1.400 63.329 62.100 -0.286 0.000 1.139 86 T CB -0.380 68.327 68.868 -0.267 0.000 0.871 86 T HN 0.200 nan 8.240 nan 0.000 0.454 87 V N 1.673 121.486 119.914 -0.169 0.000 2.295 87 V HA -0.137 3.983 4.120 0.001 0.000 0.246 87 V C 2.463 178.495 176.094 -0.104 0.000 1.049 87 V CA 1.560 63.793 62.300 -0.112 0.000 1.024 87 V CB -0.759 31.012 31.823 -0.087 0.000 0.648 87 V HN 0.420 nan 8.190 nan 0.000 0.447 88 L N -0.990 120.163 121.223 -0.117 0.000 2.056 88 L HA -0.039 4.301 4.340 0.001 0.000 0.207 88 L C 1.365 178.186 176.870 -0.081 0.000 1.078 88 L CA 0.815 55.601 54.840 -0.089 0.000 0.749 88 L CB -0.429 41.580 42.059 -0.083 0.000 0.901 88 L HN 0.225 nan 8.230 nan 0.000 0.433 92 I N 1.893 122.450 120.570 -0.021 0.000 2.252 92 I HA -0.178 3.992 4.170 0.001 0.000 0.245 92 I C 2.400 178.519 176.117 0.003 0.000 1.102 92 I CA 0.977 62.272 61.300 -0.008 0.000 1.385 92 I CB -0.253 37.741 38.000 -0.009 0.000 1.064 92 I HN -0.048 nan 8.210 nan 0.000 0.414 93 V N 1.477 121.391 119.914 -0.001 0.000 2.255 93 V HA -0.285 3.835 4.120 0.001 0.000 0.247 93 V C 2.411 178.524 176.094 0.031 0.000 1.051 93 V CA 1.878 64.189 62.300 0.018 0.000 1.018 93 V CB -0.616 31.212 31.823 0.008 0.000 0.641 93 V HN 0.349 nan 8.190 nan 0.000 0.445 94 L N -0.646 120.585 121.223 0.013 0.000 1.988 94 L HA -0.099 4.241 4.340 0.001 0.000 0.207 94 L C 2.781 179.690 176.870 0.066 0.000 1.071 94 L CA 1.385 56.244 54.840 0.030 0.000 0.744 94 L CB -0.936 41.105 42.059 -0.030 0.000 0.893 94 L HN 0.271 nan 8.230 nan 0.000 0.433 95 E N 0.380 120.602 120.200 0.036 0.000 2.108 95 E HA -0.334 4.017 4.350 0.001 0.000 0.203 95 E C 1.729 178.352 176.600 0.039 0.000 1.022 95 E CA 1.870 58.292 56.400 0.036 0.000 0.823 95 E CB -0.616 29.093 29.700 0.014 0.000 0.744 95 E HN 0.546 nan 8.360 nan 0.000 0.456 96 D N 0.206 120.628 120.400 0.037 0.000 2.084 96 D HA -0.127 4.513 4.640 0.001 0.000 0.194 96 D C 1.895 178.224 176.300 0.048 0.000 0.990 96 D CA 1.633 55.655 54.000 0.036 0.000 0.826 96 D CB 0.092 40.914 40.800 0.038 0.000 0.971 96 D HN 0.102 nan 8.370 nan 0.000 0.453 97 A N 0.899 123.764 122.820 0.075 0.000 1.940 97 A HA -0.165 4.156 4.320 0.001 0.000 0.219 97 A C 2.255 179.874 177.584 0.058 0.000 1.176 97 A CA 1.075 53.167 52.037 0.091 0.000 0.631 97 A CB -0.781 18.305 19.000 0.144 0.000 0.814 97 A HN 0.387 nan 8.150 nan 0.000 0.446 98 L N 0.139 121.407 121.223 0.075 0.000 2.079 98 L HA -0.182 4.159 4.340 0.001 0.000 0.210 98 L C 2.311 179.140 176.870 -0.068 0.000 1.081 98 L CA 2.715 57.537 54.840 -0.030 0.000 0.752 98 L CB -0.479 41.613 42.059 0.055 0.000 0.896 98 L HN 0.551 nan 8.230 nan 0.000 0.433 99 K N -0.374 120.016 120.400 -0.017 0.000 1.995 99 K HA -0.029 4.291 4.320 0.001 0.000 0.207 99 K C 1.019 177.611 176.600 -0.013 0.000 1.041 99 K CA 1.163 57.439 56.287 -0.018 0.000 0.942 99 K CB -0.505 31.993 32.500 -0.003 0.000 0.731 99 K HN 0.225 nan 8.250 nan 0.000 0.439 103 E N -0.310 119.920 120.200 0.050 0.000 2.165 103 E HA -0.196 4.155 4.350 0.001 0.000 0.203 103 E C -2.432 174.281 176.600 0.189 0.000 1.335 103 E CA 0.254 56.706 56.400 0.087 0.000 0.708 103 E CB -1.676 28.070 29.700 0.075 0.000 1.105 103 E HN 0.160 nan 8.360 nan 0.000 0.346 104 P HA 0.138 nan 4.420 nan 0.000 0.276 104 P C 0.405 177.677 177.300 -0.045 0.000 1.243 104 P CA -0.271 62.789 63.100 -0.067 0.000 0.768 104 P CB 0.011 31.508 31.700 -0.339 0.000 0.856 105 F N 3.839 123.725 119.950 -0.106 0.000 2.440 105 F HA 0.482 5.009 4.527 0.000 0.000 0.323 105 F C 0.685 176.443 175.800 -0.070 0.000 1.192 105 F CA -1.162 56.843 58.000 0.009 0.000 1.252 105 F CB -0.323 38.655 39.000 -0.038 0.000 1.214 105 F HN 0.491 nan 8.300 nan 0.000 0.578 106 F N -0.668 119.251 119.950 -0.050 0.000 1.499 106 F HA 0.168 4.695 4.527 0.001 0.000 0.156 106 F C -0.314 175.398 175.800 -0.146 0.000 0.369 106 F CA -0.381 57.537 58.000 -0.137 0.000 0.512 106 F CB -1.379 37.465 39.000 -0.260 0.000 1.334 106 F HN 1.125 nan 8.300 nan 0.000 0.650 107 G N 1.275 110.148 108.800 0.122 0.000 2.827 107 G HA2 0.678 4.638 3.960 0.001 0.000 0.296 107 G HA3 0.678 4.638 3.960 0.001 0.000 0.296 107 G C -2.656 172.329 174.900 0.142 0.000 1.362 107 G CA -0.505 44.577 45.100 -0.029 0.000 0.809 107 G HN 0.630 nan 8.290 nan 0.000 0.522 108 P HA -0.193 nan 4.420 nan 0.000 0.216 108 P C 1.465 178.802 177.300 0.061 0.000 1.157 108 P CA 2.026 65.163 63.100 0.061 0.000 0.880 108 P CB 0.075 31.787 31.700 0.021 0.000 0.791 109 E N 0.683 120.917 120.200 0.057 0.000 2.110 109 E HA -0.213 4.138 4.350 0.001 0.000 0.193 109 E C 1.493 178.129 176.600 0.061 0.000 0.988 109 E CA 1.379 57.809 56.400 0.050 0.000 0.804 109 E CB -1.361 28.370 29.700 0.053 0.000 0.745 109 E HN 0.286 nan 8.360 nan 0.000 0.458 110 D N 1.212 121.673 120.400 0.102 0.000 2.117 110 D HA -0.096 4.545 4.640 0.001 0.000 0.197 110 D C 2.274 178.570 176.300 -0.006 0.000 0.987 110 D CA 1.333 55.397 54.000 0.106 0.000 0.829 110 D CB -0.097 40.825 40.800 0.202 0.000 0.961 110 D HN 0.135 nan 8.370 nan 0.000 0.460 111 V N 2.130 122.054 119.914 0.016 0.000 2.343 111 V HA -0.245 3.875 4.120 0.001 0.000 0.247 111 V C 2.507 178.537 176.094 -0.107 0.000 1.051 111 V CA 2.089 64.349 62.300 -0.067 0.000 1.036 111 V CB -0.652 31.184 31.823 0.021 0.000 0.654 111 V HN 0.335 nan 8.190 nan 0.000 0.451 112 E N 0.307 120.470 120.200 -0.061 0.000 2.046 112 E HA -0.263 4.087 4.350 0.001 0.000 0.190 112 E C 2.057 178.591 176.600 -0.111 0.000 0.982 112 E CA 1.238 57.593 56.400 -0.074 0.000 0.800 112 E CB -0.377 29.300 29.700 -0.037 0.000 0.756 112 E HN 0.499 nan 8.360 nan 0.000 0.449 113 E N 1.717 121.867 120.200 -0.084 0.000 2.033 113 E HA -0.235 4.115 4.350 0.001 0.000 0.199 113 E C 2.076 178.463 176.600 -0.355 0.000 1.011 113 E CA 2.065 58.428 56.400 -0.060 0.000 0.815 113 E CB -0.603 29.134 29.700 0.062 0.000 0.755 113 E HN 0.360 nan 8.360 nan 0.000 0.451 114 A N -0.004 122.362 122.820 -0.758 0.000 1.883 114 A HA -0.169 4.151 4.320 0.001 0.000 0.217 114 A C 2.204 179.379 177.584 -0.682 0.000 1.186 114 A CA 1.613 52.742 52.037 -1.513 0.000 0.624 114 A CB -0.797 17.677 19.000 -0.877 0.000 0.822 114 A HN 0.342 nan 8.150 nan 0.000 0.444 115 L N -0.027 120.983 121.223 -0.354 0.000 2.131 115 L HA -0.053 4.288 4.340 0.001 0.000 0.210 115 L C 2.507 179.283 176.870 -0.157 0.000 1.092 115 L CA 1.742 56.462 54.840 -0.200 0.000 0.759 115 L CB -1.105 40.870 42.059 -0.140 0.000 0.903 115 L HN 0.395 nan 8.230 nan 0.000 0.435 116 G N -2.585 106.118 108.800 -0.163 0.000 2.625 116 G HA2 -0.188 3.773 3.960 0.001 0.000 0.214 116 G HA3 -0.188 3.773 3.960 0.001 0.000 0.214 116 G C 1.252 176.006 174.900 -0.244 0.000 1.132 116 G CA 0.234 45.228 45.100 -0.177 0.000 0.782 116 G HN 0.522 nan 8.290 nan 0.000 0.538 117 H N -0.569 118.425 119.070 -0.127 0.000 2.594 117 H HA 0.256 4.812 4.556 0.001 0.000 0.279 117 H C 0.371 175.657 175.328 -0.070 0.000 1.042 117 H CA -0.389 55.640 56.048 -0.032 0.000 1.177 117 H CB 0.634 30.497 29.762 0.168 0.000 1.524 117 H HN 0.203 nan 8.280 nan 0.000 0.537 118 L N 2.382 123.595 121.223 -0.017 0.000 2.462 118 L HA 0.149 4.489 4.340 0.001 0.000 0.272 118 L C 0.400 177.202 176.870 -0.113 0.000 1.166 118 L CA 0.489 55.292 54.840 -0.060 0.000 0.880 118 L CB 0.418 42.441 42.059 -0.060 0.000 1.142 118 L HN -0.032 nan 8.230 nan 0.000 0.473 119 R N 3.983 124.364 120.500 -0.197 0.000 2.561 119 R HA 0.412 4.752 4.340 0.001 0.000 0.297 119 R C -2.550 173.703 176.300 -0.079 0.000 0.969 119 R CA -2.086 53.900 56.100 -0.190 0.000 0.879 119 R CB 1.748 31.836 30.300 -0.353 0.000 1.178 119 R HN 0.280 nan 8.270 nan 0.000 0.445 120 P HA 0.009 nan 4.420 nan 0.000 0.267 120 P C -1.165 176.210 177.300 0.125 0.000 1.209 120 P CA -0.160 62.972 63.100 0.053 0.000 0.763 120 P CB 0.512 32.231 31.700 0.032 0.000 0.816 121 L N 3.647 124.965 121.223 0.159 0.000 2.439 121 L HA 0.427 4.768 4.340 0.001 0.000 0.270 121 L C -0.619 176.329 176.870 0.129 0.000 0.972 121 L CA -0.354 54.579 54.840 0.156 0.000 0.836 121 L CB 1.563 43.723 42.059 0.168 0.000 1.255 121 L HN 0.198 nan 8.230 nan 0.000 0.404 122 E N 2.976 123.196 120.200 0.034 0.000 2.232 122 E HA 0.311 4.662 4.350 0.001 0.000 0.264 122 E C -1.073 175.485 176.600 -0.069 0.000 0.973 122 E CA -0.716 55.651 56.400 -0.054 0.000 0.849 122 E CB 0.964 30.666 29.700 0.003 0.000 1.198 122 E HN 0.396 nan 8.360 nan 0.000 0.407 123 Y N 0.275 120.595 120.300 0.032 0.000 2.987 123 Y HA 0.074 4.625 4.550 0.001 0.000 0.339 123 Y C 1.723 177.561 175.900 -0.103 0.000 1.272 123 Y CA 1.553 59.622 58.100 -0.051 0.000 1.562 123 Y CB -0.185 38.221 38.460 -0.089 0.000 1.253 123 Y HN 0.769 nan 8.280 nan 0.000 0.604 124 G N 2.327 111.091 108.800 -0.060 0.000 2.338 124 G HA2 -0.303 3.657 3.960 0.001 0.000 0.296 124 G HA3 -0.303 3.657 3.960 0.001 0.000 0.296 124 G C -0.234 174.571 174.900 -0.157 0.000 1.040 124 G CA 0.345 45.357 45.100 -0.147 0.000 1.004 124 G HN 0.701 nan 8.290 nan 0.000 0.509 125 E N -0.855 119.164 120.200 -0.301 0.000 2.265 125 E HA 0.447 4.797 4.350 0.001 0.000 0.262 125 E C -0.474 175.936 176.600 -0.316 0.000 0.889 125 E CA -1.071 55.231 56.400 -0.163 0.000 0.789 125 E CB 0.953 30.606 29.700 -0.079 0.000 1.221 125 E HN 0.298 nan 8.360 nan 0.000 0.414 126 W N 4.690 125.955 121.300 -0.059 0.000 2.322 126 W HA 0.323 4.983 4.660 0.001 0.000 0.307 126 W C -0.250 176.192 176.519 -0.128 0.000 1.220 126 W CA -0.541 56.748 57.345 -0.094 0.000 1.210 126 W CB 0.630 30.053 29.460 -0.061 0.000 1.223 126 W HN 0.350 nan 8.180 nan 0.000 0.511 127 L N 4.965 126.188 121.223 -0.000 0.000 2.325 127 L HA 0.572 4.913 4.340 0.001 0.000 0.279 127 L C -0.438 176.416 176.870 -0.026 0.000 1.054 127 L CA -0.828 53.932 54.840 -0.134 0.000 0.804 127 L CB 0.754 42.561 42.059 -0.419 0.000 1.200 127 L HN 0.283 nan 8.230 nan 0.000 0.436 128 R N 6.054 126.531 120.500 -0.037 0.000 2.439 128 R HA 0.438 4.778 4.340 0.001 0.000 0.310 128 R C -1.045 175.240 176.300 -0.026 0.000 0.955 128 R CA -0.414 55.679 56.100 -0.012 0.000 0.853 128 R CB 1.314 31.617 30.300 0.004 0.000 1.171 128 R HN 0.728 nan 8.270 nan 0.000 0.449 129 L N 2.146 123.355 121.223 -0.024 0.000 3.100 129 L HA 0.285 4.625 4.340 0.001 0.000 0.259 129 L C 0.454 177.320 176.870 -0.007 0.000 1.316 129 L CA -0.476 54.355 54.840 -0.015 0.000 0.992 129 L CB 0.862 42.909 42.059 -0.020 0.000 1.390 129 L HN 0.896 nan 8.230 nan 0.000 0.550 130 G N 0.876 109.672 108.800 -0.007 0.000 2.686 130 G HA2 -0.030 3.930 3.960 0.001 0.000 0.211 130 G HA3 -0.030 3.930 3.960 0.001 0.000 0.211 130 G C 0.898 175.792 174.900 -0.010 0.000 0.829 130 G CA 0.068 45.164 45.100 -0.007 0.000 0.993 130 G HN 0.954 nan 8.290 nan 0.000 0.330 131 A N 0.442 123.252 122.820 -0.016 0.000 4.152 131 A HA -0.199 4.121 4.320 0.001 0.000 0.256 131 A C 1.008 178.582 177.584 -0.017 0.000 0.844 131 A CA 1.883 53.908 52.037 -0.019 0.000 1.324 131 A CB -1.263 17.728 19.000 -0.015 0.000 1.032 131 A HN 2.160 nan 8.150 nan 0.000 0.773 132 L N 1.167 122.385 121.223 -0.009 0.000 2.350 132 L HA 0.692 5.032 4.340 0.001 0.000 0.275 132 L C 0.067 176.947 176.870 0.015 0.000 1.099 132 L CA 0.655 55.496 54.840 0.002 0.000 0.808 132 L CB 1.381 43.438 42.059 -0.003 0.000 1.149 132 L HN 0.482 nan 8.230 nan 0.000 0.442 133 S N 5.206 120.939 115.700 0.056 0.000 2.779 133 S HA 0.688 5.159 4.470 0.001 0.000 0.293 133 S C -0.916 173.885 174.600 0.334 0.000 1.150 133 S CA -0.534 57.755 58.200 0.149 0.000 1.057 133 S CB 1.419 64.619 63.200 0.000 0.000 1.021 133 S HN 0.303 nan 8.310 nan 0.000 0.485 134 L N 2.215 123.607 121.223 0.281 0.000 2.354 134 L HA 1.001 5.342 4.340 0.001 0.000 0.269 134 L C -0.071 176.615 176.870 -0.307 0.000 1.005 134 L CA -0.554 54.323 54.840 0.062 0.000 0.819 134 L CB 1.605 43.591 42.059 -0.122 0.000 1.311 134 L HN 0.751 nan 8.230 nan 0.000 0.423 135 A N 1.154 123.591 122.820 -0.639 0.000 2.549 135 A HA 0.842 5.163 4.320 0.001 0.000 0.297 135 A C -1.504 175.773 177.584 -0.511 0.000 1.061 135 A CA -0.413 51.031 52.037 -0.989 0.000 0.690 135 A CB 0.955 18.731 19.000 -2.040 0.000 1.287 135 A HN 0.332 nan 8.150 nan 0.000 0.402 136 F N 0.817 120.519 119.950 -0.413 0.000 2.375 136 F HA 0.634 5.162 4.527 0.001 0.000 0.333 136 F C 1.104 176.683 175.800 -0.368 0.000 1.104 136 F CA -0.217 57.584 58.000 -0.332 0.000 1.149 136 F CB 1.905 40.687 39.000 -0.363 0.000 1.190 136 F HN 0.722 nan 8.300 nan 0.000 0.533 137 G N 1.007 109.506 108.800 -0.501 0.000 2.533 137 G HA2 0.455 4.415 3.960 0.001 0.000 0.304 137 G HA3 0.455 4.415 3.960 0.001 0.000 0.304 137 G C -1.558 172.874 174.900 -0.779 0.000 1.263 137 G CA -0.728 43.780 45.100 -0.987 0.000 0.964 137 G HN 0.418 nan 8.290 nan 0.000 0.479 138 Q N 0.137 119.642 119.800 -0.493 0.000 2.271 138 Q HA 0.517 4.858 4.340 0.001 0.000 0.273 138 Q C 0.736 176.689 176.000 -0.078 0.000 1.051 138 Q CA 0.691 56.252 55.803 -0.403 0.000 0.901 138 Q CB 1.252 29.708 28.738 -0.470 0.000 1.174 138 Q HN 0.589 nan 8.270 nan 0.000 0.385 139 A N 3.531 126.328 122.820 -0.039 0.000 2.108 139 A HA 0.409 4.729 4.320 0.001 0.000 0.206 139 A C 1.186 178.732 177.584 -0.063 0.000 1.212 139 A CA 0.438 52.493 52.037 0.031 0.000 0.843 139 A CB -0.448 18.540 19.000 -0.020 0.000 0.902 139 A HN 1.310 nan 8.150 nan 0.000 0.477 140 G N -0.185 108.559 108.800 -0.094 0.000 2.371 140 G HA2 -0.303 3.658 3.960 0.001 0.000 0.299 140 G HA3 -0.303 3.658 3.960 0.001 0.000 0.299 140 G C 0.384 175.232 174.900 -0.087 0.000 1.014 140 G CA 0.893 45.932 45.100 -0.102 0.000 1.097 140 G HN 0.879 nan 8.290 nan 0.000 0.512 141 H N -1.541 117.376 119.070 -0.254 0.000 3.255 141 H HA 0.524 5.080 4.556 0.001 0.000 0.256 141 H C 0.194 175.345 175.328 -0.295 0.000 1.049 141 H CA 0.655 56.517 56.048 -0.309 0.000 1.202 141 H CB 0.581 30.069 29.762 -0.458 0.000 1.497 141 H HN 0.405 nan 8.280 nan 0.000 0.503 142 L N 0.949 121.940 121.223 -0.387 0.000 2.775 142 L HA 0.372 4.712 4.340 0.001 0.000 0.263 142 L C -2.722 173.940 176.870 -0.346 0.000 1.017 142 L CA -1.712 52.881 54.840 -0.411 0.000 0.891 142 L CB 2.229 43.993 42.059 -0.490 0.000 1.482 142 L HN -0.086 nan 8.230 nan 0.000 0.410 143 P HA 0.322 nan 4.420 nan 0.000 0.267 143 P C 0.341 177.324 177.300 -0.528 0.000 1.209 143 P CA 0.974 63.741 63.100 -0.554 0.000 0.763 143 P CB 0.658 31.875 31.700 -0.804 0.000 0.816 144 G N 2.089 110.630 108.800 -0.430 0.000 2.148 144 G HA2 -0.234 3.726 3.960 0.001 0.000 0.254 144 G HA3 -0.234 3.726 3.960 0.001 0.000 0.254 144 G C 0.294 175.014 174.900 -0.300 0.000 0.981 144 G CA 0.223 45.050 45.100 -0.454 0.000 0.670 144 G HN 0.762 nan 8.290 nan 0.000 0.528 145 S N -0.372 115.212 115.700 -0.192 0.000 2.565 145 S HA 0.853 5.323 4.470 0.001 0.000 0.276 145 S C 0.315 174.833 174.600 -0.136 0.000 1.326 145 S CA 0.760 58.846 58.200 -0.191 0.000 1.045 145 S CB 2.188 65.261 63.200 -0.212 0.000 0.918 145 S HN 1.989 nan 8.310 nan 0.000 0.505 146 A N 2.298 124.962 122.820 -0.260 0.000 2.569 146 A HA 0.867 5.187 4.320 0.001 0.000 0.290 146 A C -0.720 176.810 177.584 -0.089 0.000 1.136 146 A CA -1.203 50.687 52.037 -0.246 0.000 0.710 146 A CB 0.959 19.541 19.000 -0.697 0.000 1.303 146 A HN 1.277 nan 8.150 nan 0.000 0.413 147 F N -0.817 119.149 119.950 0.028 0.000 2.556 147 F HA 0.825 5.353 4.527 0.001 0.000 0.327 147 F C -0.680 175.238 175.800 0.196 0.000 1.059 147 F CA -1.311 56.703 58.000 0.022 0.000 0.953 147 F CB 1.482 40.532 39.000 0.083 0.000 1.227 147 F HN 0.273 nan 8.300 nan 0.000 0.478 148 V N 2.884 123.115 119.914 0.530 0.000 2.427 148 V HA 0.392 4.512 4.120 0.001 0.000 0.286 148 V C -0.387 175.956 176.094 0.415 0.000 1.034 148 V CA -0.821 61.745 62.300 0.443 0.000 0.893 148 V CB 1.409 33.468 31.823 0.394 0.000 0.982 148 V HN 0.706 nan 8.190 nan 0.000 0.452 149 V N 4.667 124.751 119.914 0.283 0.000 2.328 149 V HA 0.710 4.830 4.120 0.001 0.000 0.278 149 V C 0.361 176.569 176.094 0.191 0.000 1.021 149 V CA -0.347 62.108 62.300 0.258 0.000 0.838 149 V CB 1.382 33.359 31.823 0.258 0.000 0.999 149 V HN 0.975 nan 8.190 nan 0.000 0.447 150 A N 5.098 128.031 122.820 0.188 0.000 2.304 150 A HA 0.790 5.110 4.320 0.001 0.000 0.314 150 A C -0.541 177.133 177.584 0.150 0.000 1.187 150 A CA -0.531 51.600 52.037 0.158 0.000 0.810 150 A CB 1.465 20.529 19.000 0.107 0.000 1.183 150 A HN 0.604 nan 8.150 nan 0.000 0.487 151 Q N 1.436 121.332 119.800 0.159 0.000 2.365 151 Q HA 0.711 5.051 4.340 0.001 0.000 0.269 151 Q C -0.632 175.392 176.000 0.039 0.000 1.061 151 Q CA -0.109 55.748 55.803 0.089 0.000 0.816 151 Q CB 2.171 30.951 28.738 0.069 0.000 1.325 151 Q HN 1.596 nan 8.270 nan 0.000 0.446 152 G N 1.888 110.697 108.800 0.014 0.000 2.378 152 G HA2 0.250 4.211 3.960 0.001 0.000 0.302 152 G HA3 0.250 4.211 3.960 0.001 0.000 0.302 152 G C -1.357 173.540 174.900 -0.004 0.000 1.669 152 G CA -0.365 44.735 45.100 -0.001 0.000 0.920 152 G HN 0.678 nan 8.290 nan 0.000 0.697 153 E N -0.312 119.881 120.200 -0.012 0.000 2.257 153 E HA -0.166 4.184 4.350 0.001 0.000 0.217 153 E C 1.515 178.109 176.600 -0.011 0.000 1.248 153 E CA 1.354 57.747 56.400 -0.011 0.000 0.691 153 E CB -1.265 28.431 29.700 -0.006 0.000 1.185 153 E HN 2.573 nan 8.360 nan 0.000 0.377 154 G N -0.072 108.719 108.800 -0.016 0.000 2.230 154 G HA2 -0.409 3.552 3.960 0.001 0.000 0.270 154 G HA3 -0.409 3.552 3.960 0.001 0.000 0.270 154 G C 0.357 175.251 174.900 -0.010 0.000 0.987 154 G CA 1.311 46.402 45.100 -0.016 0.000 0.664 154 G HN 0.292 nan 8.290 nan 0.000 0.539 155 R N -0.553 119.944 120.500 -0.004 0.000 2.832 155 R HA 0.717 5.057 4.340 0.001 0.000 0.271 155 R C -0.841 175.468 176.300 0.016 0.000 0.996 155 R CA -0.452 55.649 56.100 0.003 0.000 0.977 155 R CB 1.346 31.648 30.300 0.004 0.000 1.168 155 R HN 0.089 nan 8.270 nan 0.000 0.482 156 T N 1.906 116.473 114.554 0.022 0.000 2.848 156 T HA 0.499 4.850 4.350 0.001 0.000 0.285 156 T C -1.005 173.721 174.700 0.045 0.000 0.995 156 T CA -0.571 61.555 62.100 0.045 0.000 0.970 156 T CB 1.262 70.159 68.868 0.047 0.000 0.976 156 T HN 0.394 nan 8.240 nan 0.000 0.441 157 L N 4.154 125.418 121.223 0.069 0.000 2.362 157 L HA 0.924 5.264 4.340 0.001 0.000 0.271 157 L C -1.573 175.364 176.870 0.111 0.000 1.002 157 L CA -0.569 54.314 54.840 0.071 0.000 0.818 157 L CB 1.832 43.931 42.059 0.067 0.000 1.298 157 L HN 0.422 nan 8.230 nan 0.000 0.420 158 V N 4.793 124.770 119.914 0.105 0.000 2.483 158 V HA 0.326 4.447 4.120 0.001 0.000 0.297 158 V C -1.242 174.983 176.094 0.219 0.000 1.027 158 V CA -0.423 61.965 62.300 0.145 0.000 0.855 158 V CB 1.479 33.307 31.823 0.008 0.000 0.995 158 V HN 0.740 nan 8.190 nan 0.000 0.424 159 Y N 4.335 124.721 120.300 0.144 0.000 2.335 159 Y HA 0.333 4.884 4.550 0.001 0.000 0.339 159 Y C 1.535 177.552 175.900 0.195 0.000 0.987 159 Y CA -0.006 58.162 58.100 0.114 0.000 1.140 159 Y CB 1.998 40.513 38.460 0.091 0.000 1.173 159 Y HN 0.781 nan 8.280 nan 0.000 0.486 160 S N 4.179 119.829 115.700 -0.083 0.000 2.382 160 S HA 0.183 4.654 4.470 0.001 0.000 0.228 160 S C 1.200 175.508 174.600 -0.487 0.000 1.027 160 S CA 0.682 58.742 58.200 -0.235 0.000 0.991 160 S CB -0.893 62.114 63.200 -0.321 0.000 0.823 160 S HN 1.570 nan 8.310 nan 0.000 0.469 161 G N 1.240 109.470 108.800 -0.951 0.000 2.698 161 G HA2 -0.151 3.810 3.960 0.001 0.000 0.233 161 G HA3 -0.151 3.810 3.960 0.001 0.000 0.233 161 G C -1.371 173.311 174.900 -0.363 0.000 1.352 161 G CA -0.167 44.559 45.100 -0.624 0.000 0.879 161 G HN 0.488 nan 8.290 nan 0.000 0.567 162 D N -0.125 120.054 120.400 -0.369 0.000 2.304 162 D HA 0.534 5.174 4.640 0.001 0.000 0.250 162 D C 0.286 176.170 176.300 -0.693 0.000 1.107 162 D CA -0.149 53.471 54.000 -0.634 0.000 0.885 162 D CB 1.375 41.527 40.800 -1.079 0.000 1.192 162 D HN 0.351 nan 8.370 nan 0.000 0.436 163 L N 1.996 122.882 121.223 -0.561 0.000 2.295 163 L HA 0.489 4.830 4.340 0.001 0.000 0.285 163 L C 1.014 177.687 176.870 -0.329 0.000 1.035 163 L CA -0.302 54.245 54.840 -0.488 0.000 0.806 163 L CB 1.426 43.103 42.059 -0.636 0.000 1.214 163 L HN 0.415 nan 8.230 nan 0.000 0.426 164 G N 2.015 110.693 108.800 -0.202 0.000 2.616 164 G HA2 0.086 4.046 3.960 0.001 0.000 0.268 164 G HA3 0.086 4.046 3.960 0.001 0.000 0.268 164 G C -0.181 174.692 174.900 -0.045 0.000 1.213 164 G CA -0.562 44.498 45.100 -0.066 0.000 0.926 164 G HN 0.744 nan 8.290 nan 0.000 0.523 165 N N -0.446 118.241 118.700 -0.022 0.000 2.521 165 N HA 0.079 4.819 4.740 0.001 0.000 0.236 165 N C 1.709 177.187 175.510 -0.053 0.000 1.067 165 N CA -0.543 52.497 53.050 -0.017 0.000 0.939 165 N CB 0.306 38.752 38.487 -0.070 0.000 1.201 165 N HN 0.582 nan 8.380 nan 0.000 0.511 166 R N 2.651 123.138 120.500 -0.022 0.000 2.377 166 R HA -0.091 4.249 4.340 0.001 0.000 0.207 166 R C 0.398 176.680 176.300 -0.029 0.000 1.075 166 R CA 1.061 57.147 56.100 -0.023 0.000 1.035 166 R CB -0.021 30.287 30.300 0.014 0.000 0.857 166 R HN 0.627 nan 8.270 nan 0.000 0.475 167 E N 1.129 121.304 120.200 -0.042 0.000 2.170 167 E HA 0.001 4.351 4.350 0.001 0.000 0.191 167 E C 0.013 176.519 176.600 -0.157 0.000 0.981 167 E CA 0.445 56.837 56.400 -0.013 0.000 0.830 167 E CB 0.248 29.991 29.700 0.072 0.000 0.775 167 E HN 0.381 nan 8.360 nan 0.000 0.470 168 K N 1.233 121.344 120.400 -0.482 0.000 2.234 168 K HA 0.009 4.330 4.320 0.001 0.000 0.251 168 K C 0.304 176.702 176.600 -0.336 0.000 1.011 168 K CA 0.155 55.870 56.287 -0.952 0.000 0.889 168 K CB 0.408 32.434 32.500 -0.791 0.000 1.011 168 K HN 0.003 nan 8.250 nan 0.000 0.505 169 D N 0.444 120.738 120.400 -0.176 0.000 2.355 169 D HA -0.036 4.604 4.640 0.001 0.000 0.206 169 D C 1.797 178.011 176.300 -0.143 0.000 1.010 169 D CA 0.449 54.437 54.000 -0.019 0.000 0.875 169 D CB 0.134 41.053 40.800 0.199 0.000 0.966 169 D HN 0.137 nan 8.370 nan 0.000 0.512 170 V N 1.332 121.119 119.914 -0.213 0.000 2.223 170 V HA -0.151 3.970 4.120 0.001 0.000 0.244 170 V C 1.178 177.284 176.094 0.020 0.000 1.045 170 V CA 1.088 63.260 62.300 -0.214 0.000 1.000 170 V CB -0.313 31.473 31.823 -0.062 0.000 0.635 170 V HN 0.090 nan 8.190 nan 0.000 0.445 171 L N 0.913 122.145 121.223 0.015 0.000 2.456 171 L HA 0.377 4.718 4.340 0.001 0.000 0.257 171 L C -2.002 174.847 176.870 -0.035 0.000 1.162 171 L CA -2.002 52.838 54.840 0.001 0.000 0.808 171 L CB -0.268 41.752 42.059 -0.065 0.000 1.136 171 L HN 0.130 nan 8.230 nan 0.000 0.466 172 P HA 0.152 nan 4.420 nan 0.000 0.278 172 P C -1.073 176.189 177.300 -0.064 0.000 1.258 172 P CA -0.716 62.345 63.100 -0.065 0.000 0.811 172 P CB 0.657 32.298 31.700 -0.098 0.000 1.063 173 D N 1.352 121.728 120.400 -0.040 0.000 2.443 173 D HA 0.136 4.777 4.640 0.001 0.000 0.239 173 D C -1.964 174.334 176.300 -0.002 0.000 1.136 173 D CA -0.522 53.469 54.000 -0.015 0.000 0.879 173 D CB -0.492 40.316 40.800 0.013 0.000 1.195 173 D HN 0.195 nan 8.370 nan 0.000 0.443 174 P HA 0.033 nan 4.420 nan 0.000 0.271 174 P C -0.321 177.106 177.300 0.212 0.000 1.216 174 P CA -0.186 62.969 63.100 0.092 0.000 0.776 174 P CB 0.694 32.412 31.700 0.029 0.000 0.881 175 S N 2.726 118.624 115.700 0.330 0.000 2.610 175 S HA 0.326 4.797 4.470 0.001 0.000 0.273 175 S C 0.025 174.918 174.600 0.488 0.000 1.274 175 S CA -0.687 57.720 58.200 0.345 0.000 1.023 175 S CB -0.087 63.293 63.200 0.300 0.000 0.962 175 S HN 0.247 nan 8.310 nan 0.000 0.523 176 L N 4.588 125.942 121.223 0.218 0.000 2.467 176 L HA 0.363 4.703 4.340 0.001 0.000 0.270 176 L C -1.633 175.142 176.870 -0.158 0.000 1.205 176 L CA -1.616 53.182 54.840 -0.069 0.000 0.828 176 L CB 0.467 42.463 42.059 -0.105 0.000 1.101 176 L HN 0.609 nan 8.230 nan 0.000 0.479 177 P HA 0.316 nan 4.420 nan 0.000 0.281 177 P C -2.689 174.427 177.300 -0.308 0.000 1.264 177 P CA -1.609 61.104 63.100 -0.644 0.000 0.824 177 P CB 0.436 31.361 31.700 -1.292 0.000 1.092 178 P HA 0.208 nan 4.420 nan 0.000 0.276 178 P C -0.337 176.900 177.300 -0.106 0.000 1.252 178 P CA -0.555 62.516 63.100 -0.047 0.000 0.802 178 P CB 0.550 32.291 31.700 0.068 0.000 1.035 179 L N 1.181 122.360 121.223 -0.073 0.000 2.562 179 L HA 0.346 4.687 4.340 0.001 0.000 0.271 179 L C -0.113 176.727 176.870 -0.050 0.000 1.167 179 L CA 0.516 55.310 54.840 -0.076 0.000 0.917 179 L CB -0.912 41.117 42.059 -0.051 0.000 1.187 179 L HN 0.526 nan 8.230 nan 0.000 0.482 180 A N 3.917 126.699 122.820 -0.064 0.000 2.401 180 A HA 0.443 4.763 4.320 0.001 0.000 0.310 180 A C 0.546 178.113 177.584 -0.027 0.000 1.075 180 A CA -0.629 51.388 52.037 -0.033 0.000 0.746 180 A CB 0.756 19.737 19.000 -0.032 0.000 1.277 180 A HN 0.751 nan 8.150 nan 0.000 0.425 181 D N -0.308 120.086 120.400 -0.010 0.000 2.218 181 D HA -0.014 4.626 4.640 0.001 0.000 0.204 181 D C -0.065 176.230 176.300 -0.007 0.000 0.976 181 D CA 1.703 55.697 54.000 -0.009 0.000 0.853 181 D CB 0.138 40.936 40.800 -0.003 0.000 0.939 181 D HN 0.309 nan 8.370 nan 0.000 0.481 182 L N -0.062 121.160 121.223 -0.002 0.000 2.513 182 L HA 0.284 4.624 4.340 0.001 0.000 0.261 182 L C -1.646 175.234 176.870 0.016 0.000 0.945 182 L CA -0.604 54.239 54.840 0.005 0.000 0.848 182 L CB 2.567 44.632 42.059 0.010 0.000 1.334 182 L HN -0.372 nan 8.230 nan 0.000 0.407 183 V N 5.336 125.262 119.914 0.020 0.000 2.444 183 V HA 0.435 4.555 4.120 0.001 0.000 0.294 183 V C -0.310 175.835 176.094 0.084 0.000 1.022 183 V CA -0.547 61.783 62.300 0.050 0.000 0.850 183 V CB 1.752 33.589 31.823 0.023 0.000 0.992 183 V HN 0.622 nan 8.190 nan 0.000 0.426 184 L N 4.982 126.282 121.223 0.128 0.000 2.255 184 L HA 0.785 5.125 4.340 0.001 0.000 0.289 184 L C 0.191 177.180 176.870 0.199 0.000 1.046 184 L CA -0.048 54.867 54.840 0.125 0.000 0.816 184 L CB 1.097 43.210 42.059 0.090 0.000 1.197 184 L HN 0.832 nan 8.230 nan 0.000 0.427 185 A N 4.034 126.939 122.820 0.141 0.000 2.454 185 A HA 0.604 4.924 4.320 0.001 0.000 0.302 185 A C -0.798 176.824 177.584 0.063 0.000 1.079 185 A CA -0.753 51.352 52.037 0.112 0.000 0.731 185 A CB 1.596 20.695 19.000 0.164 0.000 1.299 185 A HN 0.755 nan 8.150 nan 0.000 0.413 186 E N 0.225 120.410 120.200 -0.025 0.000 2.349 186 E HA 0.534 4.885 4.350 0.001 0.000 0.265 186 E C 0.548 177.130 176.600 -0.030 0.000 1.064 186 E CA -0.028 56.346 56.400 -0.043 0.000 0.886 186 E CB 1.112 30.658 29.700 -0.256 0.000 1.036 186 E HN 0.642 nan 8.360 nan 0.000 0.413 187 G N 1.831 110.633 108.800 0.004 0.000 3.695 187 G HA2 0.048 4.008 3.960 0.001 0.000 0.277 187 G HA3 0.048 4.008 3.960 0.001 0.000 0.277 187 G C -0.263 174.600 174.900 -0.063 0.000 1.001 187 G CA -0.331 44.763 45.100 -0.011 0.000 0.837 187 G HN 0.558 nan 8.290 nan 0.000 0.492 188 T N 1.009 115.492 114.554 -0.118 0.000 2.778 188 T HA 0.095 4.445 4.350 0.001 0.000 0.282 188 T C 0.121 174.662 174.700 -0.265 0.000 0.983 188 T CA 0.424 62.320 62.100 -0.340 0.000 1.193 188 T CB -0.314 68.184 68.868 -0.616 0.000 0.938 188 T HN 0.546 nan 8.240 nan 0.000 0.523 189 Y N -0.234 120.009 120.300 -0.095 0.000 3.457 189 Y HA -0.196 4.354 4.550 0.001 0.000 0.215 189 Y C 1.501 177.336 175.900 -0.108 0.000 1.435 189 Y CA 0.252 58.282 58.100 -0.115 0.000 1.569 189 Y CB -2.012 36.373 38.460 -0.124 0.000 1.518 189 Y HN 0.871 nan 8.280 nan 0.000 0.580 190 G N 0.175 108.960 108.800 -0.025 0.000 2.777 190 G HA2 -0.089 3.871 3.960 0.001 0.000 0.211 190 G HA3 -0.089 3.871 3.960 0.001 0.000 0.211 190 G C 1.114 176.005 174.900 -0.015 0.000 1.149 190 G CA 0.754 45.847 45.100 -0.010 0.000 0.785 190 G HN 0.556 nan 8.290 nan 0.000 0.536 191 D N -0.058 120.324 120.400 -0.029 0.000 2.349 191 D HA 0.062 4.703 4.640 0.001 0.000 0.214 191 D C 0.914 177.198 176.300 -0.027 0.000 1.063 191 D CA -0.283 53.700 54.000 -0.029 0.000 0.847 191 D CB 0.114 40.889 40.800 -0.042 0.000 0.933 191 D HN 0.540 nan 8.370 nan 0.000 0.513 192 R N -1.458 119.025 120.500 -0.028 0.000 2.687 192 R HA 0.462 4.802 4.340 0.001 0.000 0.265 192 R C -3.399 172.833 176.300 -0.113 0.000 1.048 192 R CA -1.382 54.690 56.100 -0.046 0.000 0.884 192 R CB 0.793 31.068 30.300 -0.043 0.000 1.258 192 R HN -0.215 nan 8.270 nan 0.000 0.469 193 P HA 0.285 nan 4.420 nan 0.000 0.280 193 P C -0.941 176.268 177.300 -0.151 0.000 1.272 193 P CA -0.419 62.588 63.100 -0.156 0.000 0.819 193 P CB 0.953 32.630 31.700 -0.037 0.000 1.122 194 H N -0.155 118.948 119.070 0.056 0.000 2.496 194 H HA 0.290 4.847 4.556 0.001 0.000 0.342 194 H C 0.562 175.937 175.328 0.080 0.000 1.170 194 H CA -0.458 55.647 56.048 0.096 0.000 1.274 194 H CB 1.062 30.856 29.762 0.053 0.000 1.538 194 H HN 0.404 nan 8.280 nan 0.000 0.542 195 R N 2.171 122.809 120.500 0.229 0.000 2.489 195 R HA 0.112 4.452 4.340 0.001 0.000 0.287 195 R C -2.392 173.961 176.300 0.088 0.000 1.053 195 R CA -1.242 54.930 56.100 0.120 0.000 1.036 195 R CB -0.067 30.282 30.300 0.081 0.000 0.966 195 R HN 0.317 nan 8.270 nan 0.000 0.432 196 P HA -0.196 nan 4.420 nan 0.000 0.265 196 P C -0.475 176.855 177.300 0.050 0.000 1.167 196 P CA 0.698 63.840 63.100 0.071 0.000 0.760 196 P CB 0.255 31.983 31.700 0.048 0.000 0.783 197 Y N 3.945 124.213 120.300 -0.054 0.000 2.109 197 Y HA -0.264 4.287 4.550 0.001 0.000 0.285 197 Y C 2.380 178.212 175.900 -0.112 0.000 1.131 197 Y CA 1.337 59.369 58.100 -0.113 0.000 1.121 197 Y CB -0.070 38.362 38.460 -0.047 0.000 0.987 197 Y HN 0.208 nan 8.280 nan 0.000 0.495 198 R N 0.390 120.791 120.500 -0.166 0.000 2.119 198 R HA -0.243 4.098 4.340 0.001 0.000 0.246 198 R C 2.077 178.258 176.300 -0.199 0.000 1.146 198 R CA 2.259 58.235 56.100 -0.207 0.000 0.962 198 R CB -0.379 29.898 30.300 -0.039 0.000 0.863 198 R HN 0.569 nan 8.270 nan 0.000 0.442 199 E N -0.738 119.383 120.200 -0.131 0.000 2.106 199 E HA -0.126 4.224 4.350 0.001 0.000 0.192 199 E C 1.889 178.397 176.600 -0.153 0.000 0.984 199 E CA 1.504 57.845 56.400 -0.098 0.000 0.806 199 E CB -0.009 29.660 29.700 -0.050 0.000 0.750 199 E HN 0.336 nan 8.360 nan 0.000 0.458 200 T N 0.833 115.227 114.554 -0.267 0.000 2.777 200 T HA -0.099 4.252 4.350 0.001 0.000 0.266 200 T C 2.163 176.614 174.700 -0.414 0.000 1.040 200 T CA 1.002 62.874 62.100 -0.381 0.000 1.141 200 T CB -0.130 68.373 68.868 -0.610 0.000 0.868 200 T HN -0.021 nan 8.240 nan 0.000 0.444 201 V N 1.471 121.066 119.914 -0.531 0.000 2.295 201 V HA -0.143 3.977 4.120 0.001 0.000 0.246 201 V C 2.594 178.634 176.094 -0.089 0.000 1.049 201 V CA 1.584 63.703 62.300 -0.302 0.000 1.024 201 V CB -0.642 30.915 31.823 -0.442 0.000 0.648 201 V HN 0.336 nan 8.190 nan 0.000 0.447 202 R N -0.080 120.351 120.500 -0.115 0.000 2.103 202 R HA -0.260 4.081 4.340 0.001 0.000 0.242 202 R C 2.408 178.706 176.300 -0.003 0.000 1.142 202 R CA 2.257 58.335 56.100 -0.036 0.000 0.960 202 R CB -0.189 30.089 30.300 -0.036 0.000 0.858 202 R HN 0.701 nan 8.270 nan 0.000 0.439 203 E N -0.691 119.510 120.200 0.001 0.000 2.112 203 E HA -0.172 4.179 4.350 0.001 0.000 0.190 203 E C 1.754 178.416 176.600 0.105 0.000 0.979 203 E CA 0.632 57.061 56.400 0.047 0.000 0.814 203 E CB -0.179 29.552 29.700 0.052 0.000 0.762 203 E HN 0.383 nan 8.360 nan 0.000 0.460 204 F N 1.324 121.250 119.950 -0.038 0.000 2.065 204 F HA -0.265 4.262 4.527 0.000 0.000 0.298 204 F C 1.928 177.712 175.800 -0.027 0.000 1.112 204 F CA 1.391 59.399 58.000 0.013 0.000 1.212 204 F CB -0.012 39.063 39.000 0.125 0.000 0.975 204 F HN 0.017 nan 8.300 nan 0.000 0.476 205 L N -0.058 121.133 121.223 -0.053 0.000 2.261 205 L HA -0.218 4.123 4.340 0.001 0.000 0.216 205 L C 2.181 178.966 176.870 -0.141 0.000 1.114 205 L CA 1.336 56.080 54.840 -0.160 0.000 0.777 205 L CB -0.712 41.312 42.059 -0.057 0.000 0.910 205 L HN 0.264 nan 8.230 nan 0.000 0.440 206 E N 0.413 120.565 120.200 -0.080 0.000 2.051 206 E HA -0.141 4.210 4.350 0.001 0.000 0.189 206 E C 2.310 178.858 176.600 -0.087 0.000 0.979 206 E CA 0.925 57.291 56.400 -0.057 0.000 0.803 206 E CB -0.026 29.671 29.700 -0.005 0.000 0.761 206 E HN 0.443 nan 8.360 nan 0.000 0.451 207 I N 1.073 121.573 120.570 -0.115 0.000 2.361 207 I HA -0.278 3.893 4.170 0.001 0.000 0.251 207 I C 2.190 178.163 176.117 -0.241 0.000 1.133 207 I CA 0.916 62.103 61.300 -0.187 0.000 1.413 207 I CB -0.123 37.682 38.000 -0.325 0.000 1.073 207 I HN 0.119 nan 8.210 nan 0.000 0.424 208 L N 0.093 121.125 121.223 -0.318 0.000 2.068 208 L HA -0.159 4.182 4.340 0.001 0.000 0.204 208 L C 2.623 179.373 176.870 -0.199 0.000 1.076 208 L CA 1.129 55.779 54.840 -0.317 0.000 0.753 208 L CB -0.492 41.291 42.059 -0.460 0.000 0.910 208 L HN 0.173 nan 8.230 nan 0.000 0.439 209 E N 0.799 120.898 120.200 -0.169 0.000 2.209 209 E HA -0.258 4.092 4.350 0.001 0.000 0.196 209 E C 1.954 178.500 176.600 -0.090 0.000 0.993 209 E CA 1.476 57.804 56.400 -0.119 0.000 0.819 209 E CB 0.043 29.683 29.700 -0.101 0.000 0.745 209 E HN 0.291 nan 8.360 nan 0.000 0.477 210 K N -0.873 119.476 120.400 -0.086 0.000 2.017 210 K HA -0.043 4.277 4.320 0.001 0.000 0.207 210 K C 2.038 178.603 176.600 -0.058 0.000 1.035 210 K CA 1.636 57.890 56.287 -0.056 0.000 0.947 210 K CB -0.480 32.002 32.500 -0.030 0.000 0.749 210 K HN 0.075 nan 8.250 nan 0.000 0.443 211 T N 2.401 116.911 114.554 -0.073 0.000 2.685 211 T HA -0.184 4.166 4.350 0.001 0.000 0.268 211 T C 1.798 176.460 174.700 -0.063 0.000 1.034 211 T CA 1.795 63.856 62.100 -0.065 0.000 1.149 211 T CB -0.252 68.564 68.868 -0.088 0.000 0.860 211 T HN 0.183 nan 8.240 nan 0.000 0.449 212 L N 0.567 121.741 121.223 -0.082 0.000 2.109 212 L HA -0.040 4.301 4.340 0.001 0.000 0.207 212 L C 2.880 179.715 176.870 -0.059 0.000 1.086 212 L CA 0.881 55.676 54.840 -0.074 0.000 0.760 212 L CB -0.637 41.365 42.059 -0.095 0.000 0.910 212 L HN 0.197 nan 8.230 nan 0.000 0.437 213 S N 0.075 115.741 115.700 -0.058 0.000 2.382 213 S HA -0.221 4.250 4.470 0.001 0.000 0.228 213 S C 1.672 176.251 174.600 -0.035 0.000 1.027 213 S CA 1.460 59.632 58.200 -0.046 0.000 0.991 213 S CB -0.288 62.885 63.200 -0.044 0.000 0.823 213 S HN 0.596 nan 8.310 nan 0.000 0.469 214 Q N 0.494 120.275 119.800 -0.031 0.000 2.282 214 Q HA 0.377 4.717 4.340 0.001 0.000 0.205 214 Q C 0.892 176.880 176.000 -0.020 0.000 0.915 214 Q CA 0.408 56.198 55.803 -0.022 0.000 0.949 214 Q CB -0.268 28.461 28.738 -0.016 0.000 1.035 214 Q HN 0.375 nan 8.270 nan 0.000 0.484 215 G N -0.030 108.755 108.800 -0.025 0.000 2.179 215 G HA2 -0.273 3.688 3.960 0.001 0.000 0.257 215 G HA3 -0.273 3.688 3.960 0.001 0.000 0.257 215 G C 0.308 175.196 174.900 -0.019 0.000 1.010 215 G CA -0.064 45.023 45.100 -0.022 0.000 0.736 215 G HN 0.727 nan 8.290 nan 0.000 0.513 216 G N -0.922 107.863 108.800 -0.025 0.000 2.522 216 G HA2 0.620 4.580 3.960 0.001 0.000 0.304 216 G HA3 0.620 4.580 3.960 0.001 0.000 0.304 216 G C -0.065 174.818 174.900 -0.029 0.000 1.210 216 G CA -0.722 44.364 45.100 -0.022 0.000 0.960 216 G HN 0.380 nan 8.290 nan 0.000 0.497 217 K N -0.667 119.718 120.400 -0.026 0.000 2.123 217 K HA 0.493 4.814 4.320 0.001 0.000 0.259 217 K C -1.091 175.484 176.600 -0.042 0.000 0.960 217 K CA -0.662 55.608 56.287 -0.030 0.000 0.872 217 K CB 2.574 35.057 32.500 -0.028 0.000 1.079 217 K HN 0.129 nan 8.250 nan 0.000 0.440 218 V N 4.663 124.548 119.914 -0.048 0.000 2.266 218 V HA 0.124 4.244 4.120 0.001 0.000 0.271 218 V C -0.686 175.387 176.094 -0.035 0.000 1.032 218 V CA -0.870 61.390 62.300 -0.066 0.000 0.806 218 V CB 0.500 32.260 31.823 -0.105 0.000 1.052 218 V HN 0.518 nan 8.190 nan 0.000 0.449 219 L N 5.700 126.901 121.223 -0.036 0.000 2.380 219 L HA 0.457 4.797 4.340 0.001 0.000 0.273 219 L C 0.057 176.891 176.870 -0.059 0.000 1.138 219 L CA 0.170 54.999 54.840 -0.018 0.000 0.832 219 L CB 0.513 42.564 42.059 -0.014 0.000 1.124 219 L HN 0.423 nan 8.230 nan 0.000 0.454 220 I N 5.416 125.966 120.570 -0.034 0.000 2.521 220 I HA 0.226 4.397 4.170 0.001 0.000 0.277 220 I C -2.275 173.786 176.117 -0.094 0.000 1.054 220 I CA -1.597 59.660 61.300 -0.071 0.000 1.117 220 I CB 2.121 40.124 38.000 0.004 0.000 1.217 220 I HN 0.384 nan 8.210 nan 0.000 0.469 221 P HA 0.151 nan 4.420 nan 0.000 0.271 221 P C -0.415 176.774 177.300 -0.184 0.000 1.220 221 P CA 0.361 63.381 63.100 -0.133 0.000 0.768 221 P CB 1.191 32.824 31.700 -0.111 0.000 0.848 222 T N -0.173 114.256 114.554 -0.209 0.000 2.821 222 T HA 0.553 4.904 4.350 0.001 0.000 0.306 222 T C -0.560 173.977 174.700 -0.271 0.000 1.313 222 T CA -0.743 61.175 62.100 -0.304 0.000 1.012 222 T CB 0.526 69.301 68.868 -0.155 0.000 1.298 222 T HN 0.083 nan 8.240 nan 0.000 0.502 223 F N 0.764 120.746 119.950 0.054 0.000 2.375 223 F HA 0.569 5.097 4.527 0.000 0.000 0.333 223 F C 1.750 177.573 175.800 0.040 0.000 1.104 223 F CA -0.854 57.187 58.000 0.067 0.000 1.149 223 F CB 1.075 40.136 39.000 0.101 0.000 1.190 223 F HN 0.870 nan 8.300 nan 0.000 0.533 224 A N 2.224 125.196 122.820 0.252 0.000 2.206 224 A HA 0.139 4.460 4.320 0.001 0.000 0.211 224 A C 1.279 178.914 177.584 0.084 0.000 1.158 224 A CA 0.503 52.611 52.037 0.118 0.000 0.761 224 A CB -0.566 18.487 19.000 0.088 0.000 0.801 224 A HN 0.552 nan 8.150 nan 0.000 0.473 225 V N -0.768 119.230 119.914 0.140 0.000 2.561 225 V HA -0.012 4.108 4.120 0.001 0.000 0.206 225 V C 2.301 178.414 176.094 0.033 0.000 1.143 225 V CA 0.946 63.282 62.300 0.061 0.000 1.198 225 V CB -0.637 31.212 31.823 0.045 0.000 0.784 225 V HN 0.536 nan 8.190 nan 0.000 0.494 226 E N 0.172 120.394 120.200 0.037 0.000 2.170 226 E HA -0.158 4.192 4.350 0.001 0.000 0.191 226 E C 2.261 178.903 176.600 0.068 0.000 0.981 226 E CA 0.613 57.047 56.400 0.057 0.000 0.830 226 E CB 0.055 29.740 29.700 -0.025 0.000 0.775 226 E HN 0.310 nan 8.360 nan 0.000 0.470 227 R N 1.281 121.843 120.500 0.104 0.000 2.115 227 R HA -0.161 4.180 4.340 0.001 0.000 0.239 227 R C 2.180 178.474 176.300 -0.010 0.000 1.133 227 R CA 2.326 58.471 56.100 0.074 0.000 0.935 227 R CB -1.081 29.332 30.300 0.187 0.000 0.853 227 R HN 0.170 nan 8.270 nan 0.000 0.433 228 A N 0.597 123.417 122.820 -0.001 0.000 1.865 228 A HA -0.219 4.101 4.320 0.001 0.000 0.217 228 A C 1.974 179.545 177.584 -0.023 0.000 1.191 228 A CA 1.854 53.871 52.037 -0.033 0.000 0.623 228 A CB -0.661 18.324 19.000 -0.024 0.000 0.826 228 A HN 0.562 nan 8.150 nan 0.000 0.444 229 Q N -0.099 119.668 119.800 -0.055 0.000 2.170 229 Q HA -0.223 4.117 4.340 0.001 0.000 0.203 229 Q C 1.722 177.875 176.000 0.255 0.000 0.976 229 Q CA 1.668 57.467 55.803 -0.008 0.000 0.858 229 Q CB -0.658 27.820 28.738 -0.433 0.000 0.907 229 Q HN 0.910 nan 8.270 nan 0.000 0.433 230 E N 0.332 120.634 120.200 0.171 0.000 2.150 230 E HA -0.131 4.220 4.350 0.001 0.000 0.193 230 E C 1.735 178.396 176.600 0.102 0.000 0.985 230 E CA 0.388 56.909 56.400 0.202 0.000 0.814 230 E CB 0.194 29.941 29.700 0.079 0.000 0.752 230 E HN 0.170 nan 8.360 nan 0.000 0.466 231 I N 1.278 121.816 120.570 -0.053 0.000 2.163 231 I HA -0.250 3.921 4.170 0.001 0.000 0.240 231 I C 2.432 178.602 176.117 0.088 0.000 1.081 231 I CA 1.027 62.245 61.300 -0.136 0.000 1.353 231 I CB -1.239 36.651 38.000 -0.184 0.000 1.054 231 I HN 0.283 nan 8.210 nan 0.000 0.407 232 L N -0.476 120.826 121.223 0.131 0.000 2.089 232 L HA -0.312 4.029 4.340 0.001 0.000 0.213 232 L C 2.711 179.708 176.870 0.212 0.000 1.079 232 L CA 1.794 56.739 54.840 0.176 0.000 0.758 232 L CB -0.978 41.197 42.059 0.192 0.000 0.891 232 L HN 0.234 nan 8.230 nan 0.000 0.433 233 Y N 0.032 120.402 120.300 0.117 0.000 2.242 233 Y HA -0.184 4.367 4.550 0.001 0.000 0.291 233 Y C 2.379 178.338 175.900 0.098 0.000 1.137 233 Y CA 1.343 59.418 58.100 -0.042 0.000 1.181 233 Y CB -0.101 38.288 38.460 -0.119 0.000 0.989 233 Y HN -0.171 nan 8.280 nan 0.000 0.527 234 V N -0.392 119.650 119.914 0.212 0.000 2.427 234 V HA -0.249 3.871 4.120 0.001 0.000 0.248 234 V C 2.161 178.350 176.094 0.158 0.000 1.051 234 V CA 1.354 63.760 62.300 0.176 0.000 1.048 234 V CB -0.571 31.374 31.823 0.204 0.000 0.666 234 V HN 0.329 nan 8.190 nan 0.000 0.456 235 L N -1.241 120.083 121.223 0.168 0.000 2.156 235 L HA -0.095 4.245 4.340 0.001 0.000 0.208 235 L C 2.100 179.040 176.870 0.118 0.000 1.095 235 L CA 1.771 56.693 54.840 0.136 0.000 0.770 235 L CB -1.042 41.089 42.059 0.120 0.000 0.914 235 L HN 0.508 nan 8.230 nan 0.000 0.439 236 Y N -0.069 120.200 120.300 -0.052 0.000 2.114 236 Y HA -0.097 4.454 4.550 0.001 0.000 0.284 236 Y C 1.370 177.210 175.900 -0.100 0.000 1.119 236 Y CA 1.007 59.045 58.100 -0.104 0.000 1.108 236 Y CB -0.357 37.992 38.460 -0.184 0.000 0.995 236 Y HN 0.002 nan 8.280 nan 0.000 0.491 237 T N 0.976 115.649 114.554 0.198 0.000 2.791 237 T HA -0.048 4.302 4.350 0.001 0.000 0.323 237 T C -0.180 174.649 174.700 0.215 0.000 1.082 237 T CA 1.067 63.236 62.100 0.115 0.000 1.084 237 T CB 0.078 69.000 68.868 0.089 0.000 0.992 237 T HN 0.715 nan 8.240 nan 0.000 0.547 238 H N -1.071 118.060 119.070 0.102 0.000 4.492 238 H HA -0.196 4.360 4.556 0.001 0.000 0.142 238 H C 1.652 176.985 175.328 0.007 0.000 0.772 238 H CA 1.463 57.585 56.048 0.123 0.000 1.239 238 H CB -1.615 28.182 29.762 0.057 0.000 0.868 238 H HN 0.754 nan 8.280 nan 0.000 0.450 239 G N 0.676 109.525 108.800 0.081 0.000 2.807 239 G HA2 -0.184 3.776 3.960 0.001 0.000 0.207 239 G HA3 -0.184 3.776 3.960 0.001 0.000 0.207 239 G C 1.138 175.999 174.900 -0.064 0.000 1.151 239 G CA 0.770 45.851 45.100 -0.032 0.000 0.800 239 G HN 0.831 nan 8.290 nan 0.000 0.523 240 H N 0.262 119.263 119.070 -0.115 0.000 2.563 240 H HA 0.110 4.667 4.556 0.001 0.000 0.264 240 H C 1.852 177.130 175.328 -0.084 0.000 0.957 240 H CA 0.577 56.555 56.048 -0.117 0.000 1.173 240 H CB 0.182 29.862 29.762 -0.136 0.000 1.420 240 H HN 0.512 nan 8.280 nan 0.000 0.551 241 R N 0.209 120.283 120.500 -0.709 0.000 2.535 241 R HA 0.391 4.731 4.340 0.001 0.000 0.323 241 R C -0.283 175.858 176.300 -0.265 0.000 0.979 241 R CA -0.227 55.570 56.100 -0.505 0.000 1.120 241 R CB 0.046 29.972 30.300 -0.623 0.000 1.306 241 R HN 0.062 nan 8.270 nan 0.000 0.540 242 L N 2.723 123.818 121.223 -0.213 0.000 2.334 242 L HA 0.567 4.908 4.340 0.001 0.000 0.275 242 L C -1.911 174.884 176.870 -0.125 0.000 1.036 242 L CA -2.627 52.122 54.840 -0.152 0.000 0.807 242 L CB 1.519 43.496 42.059 -0.136 0.000 1.231 242 L HN 0.036 nan 8.230 nan 0.000 0.438 243 P HA 0.083 nan 4.420 nan 0.000 0.268 243 P C -0.713 176.535 177.300 -0.087 0.000 1.204 243 P CA -0.236 62.810 63.100 -0.090 0.000 0.768 243 P CB 0.515 32.166 31.700 -0.082 0.000 0.842 244 R N 1.639 122.093 120.500 -0.077 0.000 2.638 244 R HA 0.416 4.756 4.340 0.001 0.000 0.268 244 R C 0.180 176.435 176.300 -0.076 0.000 1.006 244 R CA 0.566 56.621 56.100 -0.075 0.000 1.088 244 R CB 0.065 30.327 30.300 -0.064 0.000 0.950 244 R HN 0.692 nan 8.270 nan 0.000 0.419 245 A N 3.877 126.644 122.820 -0.089 0.000 2.586 245 A HA 0.350 4.671 4.320 0.001 0.000 0.296 245 A C -2.671 174.828 177.584 -0.143 0.000 1.040 245 A CA -1.343 50.637 52.037 -0.096 0.000 0.701 245 A CB 1.101 20.048 19.000 -0.088 0.000 1.277 245 A HN 0.534 nan 8.150 nan 0.000 0.413 246 P HA 0.496 nan 4.420 nan 0.000 0.272 246 P C -0.728 176.317 177.300 -0.425 0.000 1.223 246 P CA 0.063 62.936 63.100 -0.378 0.000 0.784 246 P CB 0.643 31.998 31.700 -0.576 0.000 0.923 247 I N 2.657 122.974 120.570 -0.422 0.000 2.460 247 I HA 0.201 4.371 4.170 0.001 0.000 0.277 247 I C -0.264 175.704 176.117 -0.249 0.000 1.057 247 I CA -0.784 60.367 61.300 -0.249 0.000 1.179 247 I CB 0.180 38.114 38.000 -0.110 0.000 1.329 247 I HN 0.259 nan 8.210 nan 0.000 0.478 248 Y N 5.558 125.864 120.300 0.010 0.000 2.436 248 Y HA 0.183 4.733 4.550 0.001 0.000 0.343 248 Y C 0.295 176.219 175.900 0.039 0.000 1.008 248 Y CA -0.629 57.486 58.100 0.025 0.000 1.241 248 Y CB 0.757 39.231 38.460 0.024 0.000 1.153 248 Y HN 0.425 nan 8.280 nan 0.000 0.521 249 L N 4.966 126.291 121.223 0.170 0.000 2.397 249 L HA 0.241 4.581 4.340 0.001 0.000 0.263 249 L C 0.019 176.957 176.870 0.114 0.000 1.136 249 L CA -0.182 54.722 54.840 0.107 0.000 1.019 249 L CB -0.227 41.868 42.059 0.061 0.000 1.352 249 L HN 0.514 nan 8.230 nan 0.000 0.420 250 D N 1.946 122.425 120.400 0.132 0.000 2.982 250 D HA 0.094 4.734 4.640 0.001 0.000 0.238 250 D C -0.439 175.879 176.300 0.030 0.000 1.168 250 D CA 0.408 54.467 54.000 0.098 0.000 0.947 250 D CB -0.053 40.841 40.800 0.156 0.000 1.147 250 D HN 0.390 nan 8.370 nan 0.000 0.450 251 S N 0.875 116.589 115.700 0.024 0.000 2.680 251 S HA 0.455 4.926 4.470 0.001 0.000 0.262 251 S C -2.804 171.793 174.600 -0.005 0.000 1.138 251 S CA -1.222 56.980 58.200 0.004 0.000 1.072 251 S CB 1.253 64.460 63.200 0.012 0.000 1.097 251 S HN -0.126 nan 8.310 nan 0.000 0.468 255 G N 0.788 109.568 108.800 -0.033 0.000 2.524 255 G HA2 -0.154 3.806 3.960 0.001 0.000 0.215 255 G HA3 -0.154 3.806 3.960 0.001 0.000 0.215 255 G C 1.478 176.357 174.900 -0.035 0.000 1.239 255 G CA 1.248 46.332 45.100 -0.027 0.000 0.798 255 G HN 0.502 nan 8.290 nan 0.000 0.557 256 R N -0.180 120.306 120.500 -0.023 0.000 2.112 256 R HA -0.138 4.202 4.340 0.001 0.000 0.242 256 R C 2.673 178.956 176.300 -0.027 0.000 1.137 256 R CA 1.671 57.762 56.100 -0.016 0.000 0.944 256 R CB -0.953 29.340 30.300 -0.011 0.000 0.857 256 R HN 0.301 nan 8.270 nan 0.000 0.435 257 V N 1.655 121.538 119.914 -0.052 0.000 2.287 257 V HA -0.273 3.847 4.120 0.001 0.000 0.248 257 V C 2.396 178.394 176.094 -0.161 0.000 1.053 257 V CA 1.851 64.106 62.300 -0.075 0.000 1.027 257 V CB -0.603 31.156 31.823 -0.107 0.000 0.646 257 V HN 0.356 nan 8.190 nan 0.000 0.447 258 L N 0.027 121.099 121.223 -0.251 0.000 2.042 258 L HA -0.210 4.130 4.340 0.001 0.000 0.210 258 L C 2.625 179.450 176.870 -0.074 0.000 1.076 258 L CA 2.115 56.764 54.840 -0.317 0.000 0.749 258 L CB -0.355 41.588 42.059 -0.194 0.000 0.893 258 L HN 0.423 nan 8.230 nan 0.000 0.432 259 S N 0.009 115.702 115.700 -0.012 0.000 2.383 259 S HA -0.220 4.250 4.470 0.001 0.000 0.229 259 S C 1.683 176.335 174.600 0.086 0.000 1.030 259 S CA 1.356 59.584 58.200 0.046 0.000 1.002 259 S CB -0.378 62.842 63.200 0.033 0.000 0.829 259 S HN 0.327 nan 8.310 nan 0.000 0.467 260 L N 0.628 121.906 121.223 0.091 0.000 2.291 260 L HA 0.123 4.463 4.340 0.001 0.000 0.214 260 L C 1.663 178.671 176.870 0.230 0.000 1.120 260 L CA 1.252 56.168 54.840 0.127 0.000 0.799 260 L CB -0.821 41.298 42.059 0.099 0.000 0.925 260 L HN 0.344 nan 8.230 nan 0.000 0.446 261 Y N 0.336 120.647 120.300 0.020 0.000 2.193 261 Y HA -0.237 4.313 4.550 0.001 0.000 0.285 261 Y C -0.224 175.738 175.900 0.103 0.000 1.166 261 Y CA 1.163 59.309 58.100 0.076 0.000 1.181 261 Y CB -1.255 37.139 38.460 -0.111 0.000 0.976 261 Y HN 0.307 nan 8.280 nan 0.000 0.520 262 P HA -0.132 nan 4.420 nan 0.000 0.220 262 P C 0.744 177.988 177.300 -0.093 0.000 1.148 262 P CA 1.569 64.671 63.100 0.004 0.000 0.803 262 P CB -0.020 31.774 31.700 0.156 0.000 0.782 263 R N -1.235 119.267 120.500 0.004 0.000 2.236 263 R HA 0.069 4.409 4.340 0.001 0.000 0.208 263 R C 0.659 176.954 176.300 -0.009 0.000 1.036 263 R CA 0.595 56.689 56.100 -0.009 0.000 1.001 263 R CB -0.375 29.935 30.300 0.017 0.000 0.896 263 R HN 0.167 nan 8.270 nan 0.000 0.464 264 L N 0.166 121.392 121.223 0.006 0.000 2.700 264 L HA 0.076 4.416 4.340 0.001 0.000 0.234 264 L C 1.660 178.540 176.870 0.016 0.000 1.156 264 L CA 0.360 55.223 54.840 0.039 0.000 0.946 264 L CB 0.180 42.160 42.059 -0.133 0.000 1.216 264 L HN -0.061 nan 8.230 nan 0.000 0.493 265 V N 1.600 121.473 119.914 -0.068 0.000 2.370 265 V HA -0.341 3.779 4.120 0.001 0.000 0.252 265 V C 2.744 178.858 176.094 0.033 0.000 1.068 265 V CA 2.480 64.758 62.300 -0.036 0.000 1.061 265 V CB -0.231 31.267 31.823 -0.540 0.000 0.656 265 V HN 0.747 nan 8.190 nan 0.000 0.455 266 R N -1.594 118.803 120.500 -0.171 0.000 2.193 266 R HA -0.168 4.172 4.340 0.001 0.000 0.229 266 R C 1.894 177.960 176.300 -0.389 0.000 1.110 266 R CA 2.112 58.043 56.100 -0.282 0.000 0.988 266 R CB -0.844 29.205 30.300 -0.419 0.000 0.871 266 R HN 0.574 nan 8.270 nan 0.000 0.458 267 Y N 0.153 120.289 120.300 -0.273 0.000 2.529 267 Y HA 0.193 4.744 4.550 0.001 0.000 0.290 267 Y C 0.216 175.785 175.900 -0.552 0.000 1.177 267 Y CA -0.116 57.722 58.100 -0.435 0.000 1.305 267 Y CB 0.006 38.098 38.460 -0.613 0.000 1.047 267 Y HN -0.097 nan 8.280 nan 0.000 0.522 268 F N -1.077 118.846 119.950 -0.044 0.000 2.461 268 F HA 0.374 4.901 4.527 0.000 0.000 0.332 268 F C 1.036 176.796 175.800 -0.067 0.000 1.073 268 F CA -1.623 56.343 58.000 -0.057 0.000 1.017 268 F CB 0.284 39.284 39.000 -0.000 0.000 1.301 268 F HN -0.295 nan 8.300 nan 0.000 0.492 269 S N 0.058 115.855 115.700 0.161 0.000 2.580 269 S HA 0.019 4.490 4.470 0.001 0.000 0.261 269 S C 0.930 175.552 174.600 0.037 0.000 1.366 269 S CA -0.537 57.687 58.200 0.040 0.000 0.996 269 S CB 0.566 63.761 63.200 -0.010 0.000 0.902 269 S HN 0.596 nan 8.310 nan 0.000 0.566 270 E N 0.926 121.133 120.200 0.012 0.000 2.031 270 E HA -0.168 4.182 4.350 0.001 0.000 0.193 270 E C 1.984 178.591 176.600 0.013 0.000 0.994 270 E CA 1.454 57.866 56.400 0.019 0.000 0.800 270 E CB -0.706 29.002 29.700 0.014 0.000 0.752 270 E HN 0.897 nan 8.360 nan 0.000 0.447 271 E N 0.518 120.713 120.200 -0.008 0.000 2.048 271 E HA -0.203 4.147 4.350 0.001 0.000 0.202 271 E C 2.156 178.651 176.600 -0.175 0.000 1.021 271 E CA 1.853 58.225 56.400 -0.047 0.000 0.825 271 E CB 0.063 29.750 29.700 -0.022 0.000 0.756 271 E HN 0.017 nan 8.360 nan 0.000 0.454 272 V N 0.956 120.762 119.914 -0.179 0.000 2.343 272 V HA -0.282 3.838 4.120 0.001 0.000 0.247 272 V C 2.426 178.531 176.094 0.019 0.000 1.051 272 V CA 2.081 64.243 62.300 -0.231 0.000 1.036 272 V CB -0.536 31.154 31.823 -0.221 0.000 0.654 272 V HN 0.343 nan 8.190 nan 0.000 0.451 273 Q N -0.504 119.372 119.800 0.127 0.000 2.170 273 Q HA -0.165 4.176 4.340 0.001 0.000 0.203 273 Q C 2.424 178.536 176.000 0.186 0.000 0.976 273 Q CA 1.540 57.474 55.803 0.218 0.000 0.858 273 Q CB -0.363 28.457 28.738 0.136 0.000 0.907 273 Q HN 0.699 nan 8.270 nan 0.000 0.433 274 A N 0.921 123.811 122.820 0.116 0.000 1.865 274 A HA -0.243 4.077 4.320 0.001 0.000 0.217 274 A C 1.629 179.332 177.584 0.199 0.000 1.191 274 A CA 1.623 53.743 52.037 0.138 0.000 0.623 274 A CB -1.033 18.047 19.000 0.133 0.000 0.826 274 A HN 0.457 nan 8.150 nan 0.000 0.444 275 H N -2.560 116.504 119.070 -0.009 0.000 2.353 275 H HA -0.174 4.383 4.556 0.001 0.000 0.298 275 H C 1.975 177.229 175.328 -0.124 0.000 1.103 275 H CA 1.433 57.415 56.048 -0.111 0.000 1.293 275 H CB -0.226 29.371 29.762 -0.276 0.000 1.372 275 H HN 0.531 nan 8.280 nan 0.000 0.501 276 F N 0.455 120.476 119.950 0.120 0.000 2.171 276 F HA -0.184 4.343 4.527 0.000 0.000 0.300 276 F C 2.420 178.260 175.800 0.066 0.000 1.090 276 F CA 0.751 58.797 58.000 0.077 0.000 1.293 276 F CB -0.450 38.593 39.000 0.071 0.000 1.013 276 F HN 0.085 nan 8.300 nan 0.000 0.486 277 L N 0.119 121.485 121.223 0.238 0.000 2.042 277 L HA -0.193 4.147 4.340 0.001 0.000 0.210 277 L C 1.866 178.799 176.870 0.105 0.000 1.076 277 L CA 1.729 56.658 54.840 0.148 0.000 0.749 277 L CB -0.959 41.167 42.059 0.112 0.000 0.893 277 L HN 0.005 nan 8.230 nan 0.000 0.432 278 Q N 0.791 120.642 119.800 0.085 0.000 2.408 278 Q HA 0.205 4.545 4.340 0.001 0.000 0.214 278 Q C 1.051 177.073 176.000 0.037 0.000 0.957 278 Q CA 0.606 56.434 55.803 0.043 0.000 0.965 278 Q CB -1.066 27.679 28.738 0.011 0.000 0.991 278 Q HN 0.585 nan 8.270 nan 0.000 0.505 279 G N 0.913 109.756 108.800 0.071 0.000 2.356 279 G HA2 -0.294 3.667 3.960 0.001 0.000 0.296 279 G HA3 -0.294 3.667 3.960 0.001 0.000 0.296 279 G C -0.485 174.442 174.900 0.045 0.000 1.022 279 G CA 0.495 45.640 45.100 0.075 0.000 0.961 279 G HN 0.245 nan 8.290 nan 0.000 0.510 280 K N -0.426 119.970 120.400 -0.006 0.000 2.464 280 K HA 0.363 4.683 4.320 0.001 0.000 0.253 280 K C -1.038 175.376 176.600 -0.310 0.000 0.933 280 K CA -1.186 55.058 56.287 -0.072 0.000 0.801 280 K CB 1.768 34.238 32.500 -0.050 0.000 1.271 280 K HN 0.079 nan 8.250 nan 0.000 0.430 281 N N 3.635 122.180 118.700 -0.259 0.000 2.485 281 N HA 0.160 4.900 4.740 0.001 0.000 0.243 281 N C -1.998 173.144 175.510 -0.614 0.000 0.987 281 N CA -2.005 50.792 53.050 -0.421 0.000 0.940 281 N CB 0.998 39.510 38.487 0.042 0.000 1.122 281 N HN 0.257 nan 8.380 nan 0.000 0.509 282 P HA 0.087 nan 4.420 nan 0.000 0.253 282 P C -0.166 176.540 177.300 -0.990 0.000 1.281 282 P CA 0.243 62.420 63.100 -1.539 0.000 0.792 282 P CB -0.318 30.757 31.700 -1.042 0.000 1.193 283 F N 0.106 119.914 119.950 -0.236 0.000 2.647 283 F HA 0.309 4.836 4.527 0.001 0.000 0.300 283 F C 1.124 176.935 175.800 0.018 0.000 1.106 283 F CA -0.206 57.787 58.000 -0.013 0.000 1.313 283 F CB 0.480 39.516 39.000 0.061 0.000 1.007 283 F HN -0.273 nan 8.300 nan 0.000 0.536 284 R N 1.828 122.417 120.500 0.147 0.000 2.487 284 R HA 0.286 4.626 4.340 0.001 0.000 0.288 284 R C -2.812 173.635 176.300 0.244 0.000 1.394 284 R CA -1.454 54.748 56.100 0.171 0.000 1.155 284 R CB 1.356 31.742 30.300 0.143 0.000 1.156 284 R HN -0.066 nan 8.270 nan 0.000 0.553 285 P HA 0.164 nan 4.420 nan 0.000 0.279 285 P C 0.579 177.897 177.300 0.031 0.000 1.276 285 P CA -0.114 63.072 63.100 0.143 0.000 0.801 285 P CB 0.984 32.749 31.700 0.108 0.000 1.127 286 A N 1.781 124.574 122.820 -0.044 0.000 2.444 286 A HA -0.234 4.086 4.320 0.001 0.000 0.267 286 A C 1.463 179.017 177.584 -0.050 0.000 2.810 286 A CA 2.540 54.538 52.037 -0.066 0.000 1.029 286 A CB -2.238 16.714 19.000 -0.081 0.000 0.520 286 A HN 0.757 nan 8.150 nan 0.000 0.443 287 G N -1.655 107.104 108.800 -0.069 0.000 4.662 287 G HA2 0.508 4.468 3.960 0.001 0.000 0.328 287 G HA3 0.508 4.468 3.960 0.001 0.000 0.328 287 G C -0.400 174.434 174.900 -0.109 0.000 1.451 287 G CA 0.143 45.193 45.100 -0.083 0.000 1.154 287 G HN 0.771 nan 8.290 nan 0.000 0.547 288 L N 0.067 121.256 121.223 -0.056 0.000 2.397 288 L HA 0.564 4.904 4.340 0.001 0.000 0.271 288 L C 1.001 177.847 176.870 -0.040 0.000 1.148 288 L CA 0.122 54.934 54.840 -0.047 0.000 0.825 288 L CB 1.778 43.845 42.059 0.014 0.000 1.117 288 L HN 0.275 nan 8.230 nan 0.000 0.456 289 E N 2.813 122.992 120.200 -0.035 0.000 2.357 289 E HA 0.236 4.587 4.350 0.001 0.000 0.202 289 E C -0.430 176.227 176.600 0.096 0.000 0.855 289 E CA 0.894 57.319 56.400 0.041 0.000 1.048 289 E CB 0.489 30.241 29.700 0.086 0.000 1.037 289 E HN 0.341 nan 8.360 nan 0.000 0.499 290 V N 1.028 121.012 119.914 0.117 0.000 3.964 290 V HA -0.168 3.953 4.120 0.001 0.000 0.444 290 V C -0.484 175.676 176.094 0.110 0.000 0.680 290 V CA 0.428 62.786 62.300 0.097 0.000 1.854 290 V CB -1.475 30.384 31.823 0.060 0.000 2.264 290 V HN 0.084 nan 8.190 nan 0.000 0.491 291 V N 5.801 125.786 119.914 0.119 0.000 2.649 291 V HA 0.344 4.464 4.120 0.001 0.000 0.292 291 V C 1.174 177.300 176.094 0.052 0.000 1.055 291 V CA -0.142 62.216 62.300 0.095 0.000 1.023 291 V CB 1.783 33.649 31.823 0.073 0.000 0.992 291 V HN 0.853 nan 8.190 nan 0.000 0.480 292 E N 1.702 121.948 120.200 0.077 0.000 2.244 292 E HA 0.134 4.484 4.350 0.001 0.000 0.196 292 E C 0.063 176.513 176.600 -0.249 0.000 0.939 292 E CA 0.714 57.097 56.400 -0.028 0.000 0.884 292 E CB 0.322 30.081 29.700 0.097 0.000 0.850 292 E HN 0.840 nan 8.360 nan 0.000 0.481 293 H N -1.246 117.819 119.070 -0.009 0.000 2.812 293 H HA 0.244 4.801 4.556 0.000 0.000 0.355 293 H C 1.211 176.517 175.328 -0.037 0.000 1.207 293 H CA 0.095 56.131 56.048 -0.020 0.000 1.217 293 H CB 0.899 30.649 29.762 -0.018 0.000 1.874 293 H HN -0.153 nan 8.280 nan 0.000 0.581 294 T N -1.894 112.703 114.554 0.071 0.000 2.904 294 T HA -0.108 4.242 4.350 0.001 0.000 0.267 294 T C 1.439 176.119 174.700 -0.033 0.000 1.059 294 T CA 0.938 63.026 62.100 -0.020 0.000 1.137 294 T CB 0.062 68.890 68.868 -0.067 0.000 0.879 294 T HN 0.404 nan 8.240 nan 0.000 0.467 295 E N 1.942 122.139 120.200 -0.005 0.000 2.038 295 E HA -0.094 4.257 4.350 0.001 0.000 0.195 295 E C 2.632 179.208 176.600 -0.041 0.000 1.000 295 E CA 1.590 57.972 56.400 -0.030 0.000 0.803 295 E CB -0.767 28.917 29.700 -0.026 0.000 0.750 295 E HN 0.647 nan 8.360 nan 0.000 0.448 296 A N 0.636 123.444 122.820 -0.020 0.000 1.902 296 A HA -0.161 4.160 4.320 0.001 0.000 0.217 296 A C 2.427 179.965 177.584 -0.077 0.000 1.181 296 A CA 1.962 53.973 52.037 -0.043 0.000 0.623 296 A CB -0.664 18.331 19.000 -0.007 0.000 0.818 296 A HN 0.254 nan 8.150 nan 0.000 0.443 297 S N -0.640 115.037 115.700 -0.039 0.000 2.382 297 S HA -0.160 4.310 4.470 0.001 0.000 0.228 297 S C 1.951 176.556 174.600 0.008 0.000 1.027 297 S CA 1.837 60.037 58.200 -0.000 0.000 0.991 297 S CB -0.259 62.938 63.200 -0.004 0.000 0.823 297 S HN 0.613 nan 8.310 nan 0.000 0.469 298 K N 0.427 120.784 120.400 -0.071 0.000 2.305 298 K HA 0.219 4.540 4.320 0.001 0.000 0.199 298 K C 2.204 178.722 176.600 -0.136 0.000 1.047 298 K CA 0.686 56.904 56.287 -0.114 0.000 0.976 298 K CB -0.183 32.227 32.500 -0.149 0.000 0.765 298 K HN 0.378 nan 8.250 nan 0.000 0.474 299 A N 1.310 124.057 122.820 -0.121 0.000 2.019 299 A HA -0.112 4.208 4.320 0.001 0.000 0.219 299 A C 1.960 179.446 177.584 -0.164 0.000 1.164 299 A CA 1.100 53.063 52.037 -0.123 0.000 0.644 299 A CB -0.505 18.433 19.000 -0.104 0.000 0.805 299 A HN 0.169 nan 8.150 nan 0.000 0.449 300 L N -0.216 120.872 121.223 -0.225 0.000 2.141 300 L HA -0.172 4.168 4.340 0.001 0.000 0.209 300 L C 1.930 178.638 176.870 -0.269 0.000 1.094 300 L CA 0.873 55.524 54.840 -0.314 0.000 0.763 300 L CB -0.661 41.109 42.059 -0.483 0.000 0.908 300 L HN 0.381 nan 8.230 nan 0.000 0.437 301 N N 0.748 119.303 118.700 -0.241 0.000 2.223 301 N HA -0.167 4.574 4.740 0.001 0.000 0.185 301 N C 1.758 177.183 175.510 -0.140 0.000 1.016 301 N CA 1.187 54.096 53.050 -0.236 0.000 0.863 301 N CB -0.160 38.030 38.487 -0.494 0.000 0.983 301 N HN 0.318 nan 8.380 nan 0.000 0.429 302 R N 0.119 120.545 120.500 -0.123 0.000 2.282 302 R HA 0.359 4.699 4.340 0.001 0.000 0.195 302 R C 0.487 176.758 176.300 -0.047 0.000 0.909 302 R CA -0.006 56.061 56.100 -0.055 0.000 1.039 302 R CB -0.011 30.264 30.300 -0.042 0.000 1.015 302 R HN 0.060 nan 8.270 nan 0.000 0.513 303 A N 2.791 125.567 122.820 -0.073 0.000 2.386 303 A HA 0.365 4.685 4.320 0.001 0.000 0.248 303 A C -1.798 175.767 177.584 -0.032 0.000 1.082 303 A CA -0.969 51.039 52.037 -0.049 0.000 0.789 303 A CB 0.108 19.073 19.000 -0.059 0.000 1.025 303 A HN 0.026 nan 8.150 nan 0.000 0.490 304 P HA 0.403 nan 4.420 nan 0.000 0.307 304 P C 0.872 178.172 177.300 0.000 0.000 1.371 304 P CA 0.749 63.845 63.100 -0.007 0.000 0.850 304 P CB -0.262 31.436 31.700 -0.003 0.000 2.144 305 G N 1.034 109.834 108.800 0.000 0.000 2.719 305 G HA2 -0.166 3.794 3.960 0.001 0.000 0.454 305 G HA3 -0.166 3.794 3.960 0.001 0.000 0.454 305 G C -2.266 172.631 174.900 -0.003 0.000 1.353 305 G CA 0.024 45.124 45.100 -0.001 0.000 0.923 305 G HN 0.580 nan 8.290 nan 0.000 0.554 309 V N 5.949 125.914 119.914 0.085 0.000 2.417 309 V HA 0.610 4.730 4.120 0.001 0.000 0.291 309 V C -0.703 175.461 176.094 0.117 0.000 1.024 309 V CA -0.632 61.755 62.300 0.145 0.000 0.861 309 V CB 1.775 33.682 31.823 0.140 0.000 0.985 309 V HN 0.605 nan 8.190 nan 0.000 0.436 310 L N 4.884 126.178 121.223 0.119 0.000 2.298 310 L HA 0.846 5.187 4.340 0.001 0.000 0.284 310 L C 0.219 177.130 176.870 0.068 0.000 1.013 310 L CA -0.012 54.866 54.840 0.064 0.000 0.824 310 L CB 1.330 43.415 42.059 0.043 0.000 1.221 310 L HN 0.807 nan 8.230 nan 0.000 0.418 311 A N 2.121 124.961 122.820 0.034 0.000 2.435 311 A HA 0.838 5.158 4.320 0.001 0.000 0.304 311 A C 0.129 177.697 177.584 -0.025 0.000 1.064 311 A CA -0.313 51.724 52.037 -0.001 0.000 0.727 311 A CB 1.193 20.165 19.000 -0.047 0.000 1.284 311 A HN 0.693 nan 8.150 nan 0.000 0.415 312 G N -0.046 108.744 108.800 -0.017 0.000 2.414 312 G HA2 0.484 4.444 3.960 0.001 0.000 0.236 312 G HA3 0.484 4.444 3.960 0.001 0.000 0.236 312 G C 0.383 175.298 174.900 0.025 0.000 1.293 312 G CA 1.035 46.144 45.100 0.015 0.000 0.869 312 G HN 2.005 nan 8.290 nan 0.000 0.556 313 S N -0.205 115.539 115.700 0.074 0.000 3.893 313 S HA -0.037 4.433 4.470 0.001 0.000 0.715 313 S C 0.888 175.514 174.600 0.044 0.000 0.531 313 S CA 0.298 58.567 58.200 0.115 0.000 1.402 313 S CB -1.312 61.941 63.200 0.088 0.000 0.776 313 S HN 1.916 nan 8.310 nan 0.000 0.969 317 A N 0.133 123.002 122.820 0.080 0.000 2.091 317 A HA 0.194 4.514 4.320 0.001 0.000 0.270 317 A C 0.585 178.206 177.584 0.062 0.000 1.368 317 A CA 1.651 53.724 52.037 0.060 0.000 0.745 317 A CB -1.878 17.160 19.000 0.064 0.000 1.173 317 A HN 1.611 nan 8.150 nan 0.000 0.322 318 G N -0.338 108.489 108.800 0.046 0.000 2.838 318 G HA2 0.589 4.549 3.960 0.001 0.000 0.118 318 G HA3 0.589 4.549 3.960 0.001 0.000 0.118 318 G C 1.010 175.936 174.900 0.043 0.000 1.028 318 G CA 1.052 46.184 45.100 0.053 0.000 1.360 318 G HN 1.900 nan 8.290 nan 0.000 0.575 319 G N -0.154 108.672 108.800 0.043 0.000 2.468 319 G HA2 0.384 4.345 3.960 0.001 0.000 0.264 319 G HA3 0.384 4.345 3.960 0.001 0.000 0.264 319 G C 1.043 175.962 174.900 0.032 0.000 1.460 319 G CA 0.313 45.434 45.100 0.034 0.000 1.060 319 G HN 0.412 nan 8.290 nan 0.000 0.543 320 R N -0.939 119.554 120.500 -0.012 0.000 2.152 320 R HA -0.092 4.249 4.340 0.001 0.000 0.232 320 R C 2.335 178.505 176.300 -0.217 0.000 1.117 320 R CA 0.585 56.642 56.100 -0.073 0.000 0.981 320 R CB -0.881 29.279 30.300 -0.233 0.000 0.870 320 R HN 0.424 nan 8.270 nan 0.000 0.451 321 I N 1.619 122.085 120.570 -0.173 0.000 2.315 321 I HA -0.259 3.912 4.170 0.001 0.000 0.251 321 I C 1.971 178.067 176.117 -0.034 0.000 1.125 321 I CA 1.325 62.552 61.300 -0.121 0.000 1.392 321 I CB -0.135 37.839 38.000 -0.043 0.000 1.065 321 I HN 0.077 nan 8.210 nan 0.000 0.424 322 L N -0.868 120.327 121.223 -0.047 0.000 2.156 322 L HA -0.184 4.157 4.340 0.001 0.000 0.208 322 L C 2.494 179.321 176.870 -0.071 0.000 1.095 322 L CA 0.949 55.746 54.840 -0.072 0.000 0.770 322 L CB -1.044 40.930 42.059 -0.143 0.000 0.914 322 L HN 0.356 nan 8.230 nan 0.000 0.439 323 H N -0.987 118.111 119.070 0.047 0.000 2.389 323 H HA -0.107 4.450 4.556 0.000 0.000 0.299 323 H C 2.067 177.541 175.328 0.242 0.000 1.081 323 H CA 1.373 57.501 56.048 0.134 0.000 1.345 323 H CB -0.092 29.704 29.762 0.056 0.000 1.393 323 H HN 0.558 nan 8.280 nan 0.000 0.520 324 H N -0.468 118.690 119.070 0.145 0.000 2.423 324 H HA -0.080 4.476 4.556 0.000 0.000 0.297 324 H C 1.973 177.352 175.328 0.085 0.000 1.075 324 H CA 0.071 56.167 56.048 0.081 0.000 1.342 324 H CB 0.479 30.263 29.762 0.037 0.000 1.395 324 H HN 0.075 nan 8.280 nan 0.000 0.530 325 L N 1.170 122.511 121.223 0.197 0.000 2.131 325 L HA -0.089 4.252 4.340 0.001 0.000 0.206 325 L C 2.379 179.317 176.870 0.112 0.000 1.087 325 L CA 1.388 56.298 54.840 0.116 0.000 0.767 325 L CB -0.412 41.690 42.059 0.071 0.000 0.917 325 L HN 0.106 nan 8.230 nan 0.000 0.441 326 K N -0.963 119.521 120.400 0.141 0.000 1.991 326 K HA -0.152 4.169 4.320 0.001 0.000 0.212 326 K C -0.009 176.617 176.600 0.042 0.000 1.049 326 K CA 1.134 57.472 56.287 0.084 0.000 0.932 326 K CB -0.090 32.472 32.500 0.103 0.000 0.717 326 K HN 0.284 nan 8.250 nan 0.000 0.441 327 H N -0.926 118.180 119.070 0.059 0.000 2.487 327 H HA 0.408 4.964 4.556 0.000 0.000 0.333 327 H C -0.026 175.320 175.328 0.030 0.000 1.114 327 H CA 0.251 56.324 56.048 0.042 0.000 1.310 327 H CB 1.437 31.225 29.762 0.043 0.000 1.462 327 H HN 0.552 nan 8.280 nan 0.000 0.516 328 G N 0.929 109.801 108.800 0.120 0.000 2.854 328 G HA2 -0.003 3.957 3.960 0.001 0.000 0.686 328 G HA3 -0.003 3.957 3.960 0.001 0.000 0.686 328 G C 0.055 174.992 174.900 0.061 0.000 1.202 328 G CA 0.023 45.166 45.100 0.070 0.000 0.878 328 G HN 1.078 nan 8.290 nan 0.000 0.583 329 L N -0.007 121.242 121.223 0.043 0.000 1.866 329 L HA -0.179 4.162 4.340 0.001 0.000 0.495 329 L C 2.207 179.098 176.870 0.036 0.000 0.734 329 L CA 2.993 57.858 54.840 0.043 0.000 2.954 329 L CB -1.591 40.498 42.059 0.050 0.000 0.868 329 L HN 2.234 nan 8.230 nan 0.000 0.696 330 S N -0.979 114.739 115.700 0.029 0.000 2.593 330 S HA 0.196 4.667 4.470 0.001 0.000 0.217 330 S C 0.574 175.187 174.600 0.020 0.000 0.966 330 S CA 0.440 58.652 58.200 0.019 0.000 0.914 330 S CB -0.191 63.012 63.200 0.006 0.000 0.776 330 S HN 0.560 nan 8.310 nan 0.000 0.523 331 D N 1.839 122.254 120.400 0.025 0.000 2.278 331 D HA 0.342 4.982 4.640 0.001 0.000 0.245 331 D C -1.871 174.443 176.300 0.024 0.000 1.052 331 D CA -2.352 51.661 54.000 0.022 0.000 0.834 331 D CB 2.401 43.213 40.800 0.021 0.000 1.194 331 D HN -0.037 nan 8.370 nan 0.000 0.481 332 P HA -0.066 nan 4.420 nan 0.000 0.223 332 P C 0.754 178.069 177.300 0.025 0.000 1.151 332 P CA 0.577 63.693 63.100 0.026 0.000 0.787 332 P CB 0.512 32.224 31.700 0.021 0.000 0.788 333 R N -0.926 119.584 120.500 0.017 0.000 2.235 333 R HA 0.027 4.367 4.340 0.001 0.000 0.213 333 R C 1.093 177.398 176.300 0.008 0.000 1.059 333 R CA 0.358 56.465 56.100 0.011 0.000 0.997 333 R CB -0.596 29.706 30.300 0.004 0.000 0.884 333 R HN 0.284 nan 8.270 nan 0.000 0.462 334 N N 0.741 119.449 118.700 0.013 0.000 2.366 334 N HA 0.417 5.157 4.740 0.001 0.000 0.277 334 N C -0.650 174.871 175.510 0.019 0.000 1.275 334 N CA -0.012 53.042 53.050 0.007 0.000 0.964 334 N CB 0.750 39.243 38.487 0.010 0.000 1.167 334 N HN 0.138 nan 8.380 nan 0.000 0.568 335 A N 0.251 123.071 122.820 -0.000 0.000 2.500 335 A HA 0.326 4.646 4.320 0.001 0.000 0.288 335 A C -1.209 176.352 177.584 -0.039 0.000 1.045 335 A CA -0.608 51.432 52.037 0.005 0.000 0.830 335 A CB 0.392 19.346 19.000 -0.078 0.000 1.337 335 A HN 0.539 nan 8.150 nan 0.000 0.400 336 L N 3.119 124.345 121.223 0.005 0.000 2.305 336 L HA 0.711 5.052 4.340 0.001 0.000 0.281 336 L C -1.015 175.791 176.870 -0.106 0.000 1.085 336 L CA -0.575 54.205 54.840 -0.099 0.000 0.813 336 L CB 1.281 43.271 42.059 -0.115 0.000 1.157 336 L HN 0.489 nan 8.230 nan 0.000 0.436 337 V N 5.229 125.029 119.914 -0.189 0.000 2.483 337 V HA 0.341 4.462 4.120 0.001 0.000 0.297 337 V C -0.604 175.401 176.094 -0.148 0.000 1.027 337 V CA -0.467 61.800 62.300 -0.055 0.000 0.855 337 V CB 1.571 33.443 31.823 0.082 0.000 0.995 337 V HN 0.440 nan 8.190 nan 0.000 0.424 338 F N 4.144 124.153 119.950 0.098 0.000 2.411 338 F HA 0.408 4.936 4.527 0.000 0.000 0.350 338 F C 0.872 176.689 175.800 0.029 0.000 1.114 338 F CA -0.490 57.536 58.000 0.043 0.000 1.135 338 F CB 1.859 40.891 39.000 0.053 0.000 1.120 338 F HN 0.392 nan 8.300 nan 0.000 0.495 339 V N 0.941 120.934 119.914 0.131 0.000 3.099 339 V HA 0.719 4.839 4.120 0.001 0.000 0.356 339 V C 0.319 176.451 176.094 0.064 0.000 1.364 339 V CA 0.003 62.349 62.300 0.077 0.000 1.229 339 V CB -0.322 31.408 31.823 -0.155 0.000 1.227 339 V HN 0.781 nan 8.190 nan 0.000 0.493 340 G N -0.968 107.882 108.800 0.083 0.000 2.755 340 G HA2 0.538 4.498 3.960 0.001 0.000 0.297 340 G HA3 0.538 4.498 3.960 0.001 0.000 0.297 340 G C -1.463 173.511 174.900 0.124 0.000 1.441 340 G CA -0.806 44.361 45.100 0.111 0.000 0.964 340 G HN 0.127 nan 8.290 nan 0.000 0.540 341 Y N 1.186 121.624 120.300 0.229 0.000 2.511 341 Y HA 0.275 4.825 4.550 0.001 0.000 0.332 341 Y C 1.096 177.059 175.900 0.106 0.000 1.177 341 Y CA -0.233 57.962 58.100 0.158 0.000 1.422 341 Y CB 0.738 39.336 38.460 0.229 0.000 1.271 341 Y HN 0.217 nan 8.280 nan 0.000 0.550 342 Q N 4.680 124.543 119.800 0.104 0.000 2.259 342 Q HA 0.291 4.631 4.340 0.001 0.000 0.246 342 Q C -2.258 173.781 176.000 0.064 0.000 0.920 342 Q CA -2.099 53.711 55.803 0.012 0.000 0.895 342 Q CB 0.688 29.278 28.738 -0.247 0.000 1.220 342 Q HN 0.463 nan 8.270 nan 0.000 0.439 343 P HA 0.101 nan 4.420 nan 0.000 0.281 343 P C -0.301 177.013 177.300 0.023 0.000 1.252 343 P CA -0.402 62.732 63.100 0.056 0.000 0.778 343 P CB 0.928 32.669 31.700 0.069 0.000 0.895 344 Q N 1.221 121.028 119.800 0.011 0.000 2.364 344 Q HA 0.262 4.602 4.340 0.001 0.000 0.267 344 Q C 1.391 177.395 176.000 0.006 0.000 0.999 344 Q CA 1.674 57.479 55.803 0.003 0.000 0.886 344 Q CB 0.645 29.382 28.738 -0.002 0.000 1.243 344 Q HN 0.930 nan 8.270 nan 0.000 0.415 345 G N 1.861 110.664 108.800 0.006 0.000 2.232 345 G HA2 -0.193 3.767 3.960 0.001 0.000 0.226 345 G HA3 -0.193 3.767 3.960 0.001 0.000 0.226 345 G C 0.350 175.260 174.900 0.016 0.000 0.996 345 G CA -0.113 44.993 45.100 0.009 0.000 0.626 345 G HN 0.885 nan 8.290 nan 0.000 0.509 346 G N -0.358 108.453 108.800 0.019 0.000 2.432 346 G HA2 0.731 4.692 3.960 0.001 0.000 0.331 346 G HA3 0.731 4.692 3.960 0.001 0.000 0.331 346 G C 0.047 174.963 174.900 0.028 0.000 1.170 346 G CA -0.241 44.877 45.100 0.030 0.000 0.943 346 G HN 1.014 nan 8.290 nan 0.000 0.483 347 L N 1.109 122.358 121.223 0.042 0.000 2.517 347 L HA 0.340 4.680 4.340 0.001 0.000 0.294 347 L C 1.595 178.497 176.870 0.053 0.000 1.264 347 L CA 2.753 57.627 54.840 0.056 0.000 0.839 347 L CB 0.385 42.487 42.059 0.072 0.000 1.098 347 L HN 1.609 nan 8.230 nan 0.000 0.525 348 G N 1.868 110.712 108.800 0.072 0.000 5.005 348 G HA2 -0.302 3.658 3.960 0.001 0.000 0.251 348 G HA3 -0.302 3.658 3.960 0.001 0.000 0.251 348 G C 1.012 175.840 174.900 -0.120 0.000 1.536 348 G CA 0.736 45.825 45.100 -0.018 0.000 1.060 348 G HN 1.471 nan 8.290 nan 0.000 0.683 349 A N 0.865 123.616 122.820 -0.115 0.000 1.917 349 A HA -0.023 4.298 4.320 0.001 0.000 0.219 349 A C 2.090 179.662 177.584 -0.020 0.000 1.182 349 A CA 2.846 54.839 52.037 -0.072 0.000 0.633 349 A CB -0.692 18.287 19.000 -0.036 0.000 0.819 349 A HN 1.003 nan 8.150 nan 0.000 0.448 350 E N -0.419 119.783 120.200 0.003 0.000 2.204 350 E HA -0.159 4.191 4.350 0.001 0.000 0.195 350 E C 1.748 178.374 176.600 0.042 0.000 0.990 350 E CA 1.254 57.668 56.400 0.024 0.000 0.821 350 E CB -0.188 29.531 29.700 0.031 0.000 0.750 350 E HN 0.714 nan 8.360 nan 0.000 0.477 351 I N 0.732 121.341 120.570 0.064 0.000 2.703 351 I HA -0.153 4.017 4.170 0.001 0.000 0.259 351 I C 1.962 178.141 176.117 0.104 0.000 1.151 351 I CA 0.099 61.465 61.300 0.109 0.000 1.470 351 I CB -0.041 38.081 38.000 0.205 0.000 1.112 351 I HN 0.182 nan 8.210 nan 0.000 0.437 352 I N 1.430 122.040 120.570 0.065 0.000 2.454 352 I HA -0.206 3.964 4.170 0.001 0.000 0.254 352 I C 2.647 178.792 176.117 0.046 0.000 1.156 352 I CA 1.201 62.535 61.300 0.057 0.000 1.433 352 I CB -1.378 36.621 38.000 -0.001 0.000 1.082 352 I HN 0.145 nan 8.210 nan 0.000 0.432 353 A N 0.425 123.266 122.820 0.035 0.000 2.248 353 A HA -0.118 4.202 4.320 0.001 0.000 0.210 353 A C 1.530 179.133 177.584 0.032 0.000 1.174 353 A CA 0.418 52.473 52.037 0.029 0.000 0.750 353 A CB -0.537 18.476 19.000 0.023 0.000 0.780 353 A HN 0.394 nan 8.150 nan 0.000 0.478 354 R N -1.698 118.828 120.500 0.043 0.000 3.627 354 R HA -0.118 4.222 4.340 0.001 0.000 0.281 354 R C -2.343 173.977 176.300 0.033 0.000 1.140 354 R CA 0.810 56.934 56.100 0.041 0.000 0.761 354 R CB -2.250 28.070 30.300 0.033 0.000 1.181 354 R HN 0.477 nan 8.270 nan 0.000 0.472 355 P HA 0.060 nan 4.420 nan 0.000 0.268 355 P C -1.695 175.621 177.300 0.026 0.000 1.204 355 P CA -0.997 62.118 63.100 0.026 0.000 0.768 355 P CB 0.832 32.547 31.700 0.026 0.000 0.842 356 P HA -0.205 nan 4.420 nan 0.000 0.219 356 P C 0.323 177.635 177.300 0.020 0.000 1.153 356 P CA 1.866 64.978 63.100 0.019 0.000 0.865 356 P CB 0.159 31.867 31.700 0.015 0.000 0.788 357 A N -1.696 121.136 122.820 0.020 0.000 2.572 357 A HA 0.619 4.939 4.320 0.001 0.000 0.295 357 A C -1.078 176.519 177.584 0.022 0.000 1.072 357 A CA -0.540 51.508 52.037 0.019 0.000 0.691 357 A CB 2.004 21.011 19.000 0.012 0.000 1.291 357 A HN -0.117 nan 8.150 nan 0.000 0.404 358 V N 0.580 120.508 119.914 0.023 0.000 3.001 358 V HA 0.621 4.741 4.120 0.001 0.000 0.314 358 V C 0.032 176.137 176.094 0.018 0.000 1.099 358 V CA -0.804 61.512 62.300 0.027 0.000 0.989 358 V CB 2.051 33.899 31.823 0.041 0.000 1.040 358 V HN 0.973 nan 8.190 nan 0.000 0.434 359 R N 2.600 123.110 120.500 0.018 0.000 2.207 359 R HA 0.719 5.060 4.340 0.001 0.000 0.334 359 R C -1.421 174.885 176.300 0.010 0.000 1.013 359 R CA -0.177 55.929 56.100 0.011 0.000 0.858 359 R CB 0.501 30.807 30.300 0.010 0.000 1.094 359 R HN 0.726 nan 8.270 nan 0.000 0.457 360 I N 5.755 126.325 120.570 0.000 0.000 2.534 360 I HA 0.181 4.351 4.170 0.001 0.000 0.288 360 I C -0.501 175.601 176.117 -0.026 0.000 1.077 360 I CA -1.056 60.239 61.300 -0.009 0.000 1.051 360 I CB 2.031 40.028 38.000 -0.004 0.000 1.234 360 I HN 0.597 nan 8.210 nan 0.000 0.425 361 L N 6.337 127.538 121.223 -0.037 0.000 3.660 361 L HA -0.211 4.129 4.340 0.001 0.000 0.440 361 L C 1.346 178.208 176.870 -0.013 0.000 1.262 361 L CA 1.442 56.258 54.840 -0.039 0.000 0.837 361 L CB -2.419 39.597 42.059 -0.073 0.000 1.689 361 L HN 1.154 nan 8.230 nan 0.000 0.890 362 G N -0.556 108.240 108.800 -0.006 0.000 2.212 362 G HA2 -0.318 3.642 3.960 0.001 0.000 0.267 362 G HA3 -0.318 3.642 3.960 0.001 0.000 0.267 362 G C 0.392 175.290 174.900 -0.003 0.000 1.002 362 G CA 1.149 46.249 45.100 -0.000 0.000 0.729 362 G HN 0.594 nan 8.290 nan 0.000 0.517 363 E N -0.875 119.319 120.200 -0.010 0.000 2.299 363 E HA 0.674 5.024 4.350 0.001 0.000 0.260 363 E C -0.441 176.152 176.600 -0.012 0.000 0.944 363 E CA -0.898 55.493 56.400 -0.016 0.000 0.815 363 E CB 0.978 30.659 29.700 -0.032 0.000 1.252 363 E HN 0.079 nan 8.360 nan 0.000 0.418 364 E N 1.025 121.217 120.200 -0.014 0.000 2.101 364 E HA 0.327 4.677 4.350 0.001 0.000 0.260 364 E C -1.735 174.858 176.600 -0.012 0.000 0.897 364 E CA -0.516 55.879 56.400 -0.008 0.000 0.744 364 E CB 1.244 30.942 29.700 -0.004 0.000 1.140 364 E HN 0.197 nan 8.360 nan 0.000 0.419 365 V N 6.221 126.130 119.914 -0.009 0.000 2.370 365 V HA 0.557 4.677 4.120 0.001 0.000 0.279 365 V C -2.450 173.646 176.094 0.003 0.000 1.029 365 V CA -2.618 59.676 62.300 -0.010 0.000 0.870 365 V CB 1.450 33.266 31.823 -0.013 0.000 0.984 365 V HN 0.602 nan 8.190 nan 0.000 0.451 366 P HA 0.106 nan 4.420 nan 0.000 0.266 366 P C -0.773 176.538 177.300 0.018 0.000 1.215 366 P CA -0.141 62.965 63.100 0.010 0.000 0.763 366 P CB 0.439 32.143 31.700 0.006 0.000 0.806 367 L N 5.241 126.479 121.223 0.026 0.000 2.302 367 L HA 0.252 4.592 4.340 0.001 0.000 0.285 367 L C 0.753 177.645 176.870 0.035 0.000 1.090 367 L CA 0.547 55.408 54.840 0.037 0.000 0.866 367 L CB -0.438 41.648 42.059 0.046 0.000 1.244 367 L HN 0.280 nan 8.230 nan 0.000 0.435 368 R N 3.093 123.613 120.500 0.034 0.000 2.394 368 R HA 0.424 4.765 4.340 0.001 0.000 0.220 368 R C 0.622 176.946 176.300 0.040 0.000 0.887 368 R CA 0.236 56.355 56.100 0.032 0.000 1.034 368 R CB 0.496 30.811 30.300 0.025 0.000 1.179 368 R HN 0.673 nan 8.270 nan 0.000 0.561 369 A N 1.788 124.637 122.820 0.047 0.000 2.406 369 A HA 0.224 4.545 4.320 0.001 0.000 0.243 369 A C 0.457 178.090 177.584 0.081 0.000 1.082 369 A CA -0.194 51.877 52.037 0.057 0.000 0.786 369 A CB 0.369 19.400 19.000 0.051 0.000 1.029 369 A HN 0.298 nan 8.150 nan 0.000 0.495 370 S N 0.300 116.068 115.700 0.115 0.000 2.565 370 S HA 0.479 4.950 4.470 0.001 0.000 0.276 370 S C -0.278 174.473 174.600 0.252 0.000 1.326 370 S CA -0.594 57.703 58.200 0.162 0.000 1.045 370 S CB 0.884 64.247 63.200 0.272 0.000 0.918 370 S HN 0.768 nan 8.310 nan 0.000 0.505 371 V N 4.392 124.420 119.914 0.189 0.000 2.495 371 V HA 0.497 4.617 4.120 0.001 0.000 0.298 371 V C -0.223 176.020 176.094 0.248 0.000 1.031 371 V CA -0.584 61.882 62.300 0.276 0.000 0.871 371 V CB 1.128 33.084 31.823 0.221 0.000 0.988 371 V HN 1.011 nan 8.190 nan 0.000 0.432 372 H N 1.881 121.049 119.070 0.163 0.000 2.821 372 H HA 0.616 5.172 4.556 0.001 0.000 0.373 372 H C -1.057 174.427 175.328 0.260 0.000 1.165 372 H CA -0.784 55.366 56.048 0.170 0.000 1.154 372 H CB 2.673 32.513 29.762 0.130 0.000 1.765 372 H HN 0.518 nan 8.280 nan 0.000 0.549 373 T N 2.904 117.660 114.554 0.337 0.000 2.879 373 T HA 0.340 4.691 4.350 0.001 0.000 0.290 373 T C -0.006 174.798 174.700 0.173 0.000 0.993 373 T CA -0.742 61.533 62.100 0.291 0.000 0.975 373 T CB 0.949 69.939 68.868 0.204 0.000 0.981 373 T HN 0.324 nan 8.240 nan 0.000 0.439 374 L N 2.974 124.274 121.223 0.128 0.000 2.556 374 L HA 0.465 4.806 4.340 0.001 0.000 0.243 374 L C 1.150 177.926 176.870 -0.156 0.000 1.331 374 L CA -0.838 54.011 54.840 0.014 0.000 0.927 374 L CB 0.615 42.723 42.059 0.081 0.000 1.219 374 L HN 0.802 nan 8.230 nan 0.000 0.490 375 G N -0.540 108.018 108.800 -0.403 0.000 2.684 375 G HA2 0.421 4.382 3.960 0.001 0.000 0.255 375 G HA3 0.421 4.382 3.960 0.001 0.000 0.255 375 G C 0.926 175.601 174.900 -0.376 0.000 1.219 375 G CA 0.754 45.262 45.100 -0.988 0.000 0.901 375 G HN 0.724 nan 8.290 nan 0.000 0.548 376 G N -1.170 107.451 108.800 -0.300 0.000 2.376 376 G HA2 -0.251 3.709 3.960 0.001 0.000 0.208 376 G HA3 -0.251 3.709 3.960 0.001 0.000 0.208 376 G C 0.907 175.719 174.900 -0.146 0.000 1.032 376 G CA 0.406 45.403 45.100 -0.172 0.000 0.641 376 G HN 0.619 nan 8.290 nan 0.000 0.503 377 F N 2.697 122.571 119.950 -0.127 0.000 2.663 377 F HA 0.515 5.043 4.527 0.001 0.000 0.299 377 F C 1.560 177.270 175.800 -0.149 0.000 1.143 377 F CA 0.343 58.295 58.000 -0.081 0.000 1.387 377 F CB 0.684 39.619 39.000 -0.109 0.000 1.019 377 F HN 0.205 nan 8.300 nan 0.000 0.523 378 S N -0.134 115.486 115.700 -0.132 0.000 2.565 378 S HA 0.262 4.732 4.470 0.001 0.000 0.276 378 S C 1.329 175.869 174.600 -0.101 0.000 1.326 378 S CA -0.054 58.042 58.200 -0.173 0.000 1.045 378 S CB 1.361 64.216 63.200 -0.575 0.000 0.918 378 S HN 0.416 nan 8.310 nan 0.000 0.505 379 G N 2.409 111.251 108.800 0.070 0.000 2.777 379 G HA2 0.127 4.087 3.960 0.001 0.000 0.211 379 G HA3 0.127 4.087 3.960 0.001 0.000 0.211 379 G C 0.158 175.136 174.900 0.130 0.000 1.149 379 G CA 0.180 45.322 45.100 0.070 0.000 0.785 379 G HN 0.782 nan 8.290 nan 0.000 0.536 380 H N -0.408 118.766 119.070 0.173 0.000 2.479 380 H HA 0.606 5.162 4.556 0.001 0.000 0.335 380 H C 0.452 175.870 175.328 0.149 0.000 1.142 380 H CA -0.187 55.954 56.048 0.156 0.000 1.234 380 H CB 1.608 31.570 29.762 0.333 0.000 1.503 380 H HN 0.172 nan 8.280 nan 0.000 0.510 381 A N 2.004 124.940 122.820 0.192 0.000 2.498 381 A HA 0.406 4.726 4.320 0.001 0.000 0.239 381 A C 0.952 178.651 177.584 0.192 0.000 1.068 381 A CA 0.374 52.486 52.037 0.126 0.000 0.766 381 A CB -0.253 18.727 19.000 -0.033 0.000 1.003 381 A HN 0.802 nan 8.150 nan 0.000 0.497 382 G N -0.376 108.481 108.800 0.094 0.000 2.502 382 G HA2 0.378 4.338 3.960 0.001 0.000 0.305 382 G HA3 0.378 4.338 3.960 0.001 0.000 0.305 382 G C 0.663 175.517 174.900 -0.076 0.000 1.190 382 G CA 0.249 45.209 45.100 -0.234 0.000 0.933 382 G HN 0.938 nan 8.290 nan 0.000 0.503 383 Q N -0.371 119.377 119.800 -0.087 0.000 2.118 383 Q HA -0.258 4.082 4.340 0.001 0.000 0.211 383 Q C 1.998 177.998 176.000 -0.000 0.000 0.998 383 Q CA 2.613 58.402 55.803 -0.022 0.000 0.872 383 Q CB -0.215 28.508 28.738 -0.025 0.000 0.925 383 Q HN 0.783 nan 8.270 nan 0.000 0.414 384 D N -0.708 119.687 120.400 -0.008 0.000 2.178 384 D HA -0.216 4.424 4.640 0.001 0.000 0.201 384 D C 1.277 177.602 176.300 0.042 0.000 0.980 384 D CA 1.520 55.531 54.000 0.019 0.000 0.842 384 D CB -0.299 40.512 40.800 0.019 0.000 0.948 384 D HN 0.530 nan 8.370 nan 0.000 0.472 385 E N 0.406 120.632 120.200 0.043 0.000 2.076 385 E HA 0.005 4.355 4.350 0.001 0.000 0.190 385 E C 2.558 179.215 176.600 0.094 0.000 0.979 385 E CA 0.247 56.688 56.400 0.069 0.000 0.807 385 E CB -0.024 29.712 29.700 0.059 0.000 0.761 385 E HN 0.274 nan 8.360 nan 0.000 0.454 386 L N 0.804 122.065 121.223 0.065 0.000 2.042 386 L HA -0.222 4.119 4.340 0.001 0.000 0.210 386 L C 2.445 179.399 176.870 0.140 0.000 1.076 386 L CA 0.940 55.833 54.840 0.087 0.000 0.749 386 L CB -0.399 41.687 42.059 0.046 0.000 0.893 386 L HN 0.174 nan 8.230 nan 0.000 0.432 387 L N -0.596 120.682 121.223 0.092 0.000 2.017 387 L HA -0.259 4.082 4.340 0.001 0.000 0.208 387 L C 2.324 179.249 176.870 0.091 0.000 1.073 387 L CA 1.368 56.255 54.840 0.078 0.000 0.745 387 L CB -0.589 41.499 42.059 0.048 0.000 0.894 387 L HN 0.317 nan 8.230 nan 0.000 0.432 388 D N -1.182 119.279 120.400 0.103 0.000 2.178 388 D HA -0.230 4.410 4.640 0.001 0.000 0.201 388 D C 1.823 178.195 176.300 0.119 0.000 0.980 388 D CA 1.212 55.268 54.000 0.094 0.000 0.842 388 D CB -0.067 40.791 40.800 0.096 0.000 0.948 388 D HN 0.420 nan 8.370 nan 0.000 0.472 389 W N 1.074 122.358 121.300 -0.027 0.000 2.379 389 W HA -0.134 4.527 4.660 0.001 0.000 0.307 389 W C 1.939 178.419 176.519 -0.066 0.000 1.200 389 W CA 0.515 57.830 57.345 -0.052 0.000 1.297 389 W CB -0.280 29.142 29.460 -0.063 0.000 1.140 389 W HN -0.108 nan 8.180 nan 0.000 0.507 390 L N 0.742 122.041 121.223 0.127 0.000 2.201 390 L HA -0.068 4.273 4.340 0.001 0.000 0.212 390 L C 1.172 177.997 176.870 -0.075 0.000 1.105 390 L CA 1.252 56.093 54.840 0.001 0.000 0.775 390 L CB -1.937 40.178 42.059 0.093 0.000 0.913 390 L HN 0.048 nan 8.230 nan 0.000 0.440 391 Q N 0.597 120.370 119.800 -0.045 0.000 2.873 391 Q HA 0.052 4.392 4.340 0.001 0.000 0.385 391 Q C 1.262 177.214 176.000 -0.080 0.000 1.117 391 Q CA 1.221 56.994 55.803 -0.050 0.000 1.167 391 Q CB -0.233 28.481 28.738 -0.040 0.000 1.105 391 Q HN 0.499 nan 8.270 nan 0.000 0.444 392 G N 3.209 111.976 108.800 -0.055 0.000 2.203 392 G HA2 -0.272 3.689 3.960 0.001 0.000 0.263 392 G HA3 -0.272 3.689 3.960 0.001 0.000 0.263 392 G C -0.505 174.353 174.900 -0.071 0.000 1.012 392 G CA 0.441 45.507 45.100 -0.057 0.000 0.749 392 G HN 0.594 nan 8.290 nan 0.000 0.512 393 E N 1.074 121.228 120.200 -0.077 0.000 2.092 393 E HA 0.299 4.649 4.350 0.001 0.000 0.271 393 E C -2.221 174.350 176.600 -0.048 0.000 0.919 393 E CA -1.663 54.688 56.400 -0.082 0.000 0.760 393 E CB 2.306 31.934 29.700 -0.119 0.000 1.106 393 E HN 0.304 nan 8.360 nan 0.000 0.408 394 P HA 0.131 nan 4.420 nan 0.000 0.274 394 P C -0.622 176.666 177.300 -0.019 0.000 1.237 394 P CA -0.354 62.731 63.100 -0.024 0.000 0.793 394 P CB 0.806 32.493 31.700 -0.021 0.000 0.977 395 R N -1.496 118.998 120.500 -0.010 0.000 1.639 395 R HA -0.056 4.284 4.340 0.001 0.000 0.381 395 R C -1.080 175.220 176.300 0.001 0.000 1.282 395 R CA 0.193 56.291 56.100 -0.004 0.000 1.204 395 R CB -2.097 28.200 30.300 -0.005 0.000 3.444 395 R HN 0.342 nan 8.270 nan 0.000 0.482 396 V N 4.059 123.980 119.914 0.010 0.000 2.623 396 V HA 0.377 4.497 4.120 0.001 0.000 0.304 396 V C -0.536 175.575 176.094 0.028 0.000 1.054 396 V CA -0.769 61.545 62.300 0.024 0.000 0.882 396 V CB 2.184 34.026 31.823 0.031 0.000 1.002 396 V HN 0.466 nan 8.190 nan 0.000 0.424 397 V N 7.074 127.008 119.914 0.035 0.000 2.334 397 V HA 0.520 4.640 4.120 0.001 0.000 0.281 397 V C -0.633 175.488 176.094 0.047 0.000 1.016 397 V CA -0.527 61.792 62.300 0.032 0.000 0.832 397 V CB 1.342 33.177 31.823 0.021 0.000 0.999 397 V HN 0.681 nan 8.190 nan 0.000 0.439 398 L N 7.432 128.683 121.223 0.046 0.000 2.369 398 L HA 0.448 4.789 4.340 0.001 0.000 0.279 398 L C 0.137 177.050 176.870 0.072 0.000 1.108 398 L CA 0.877 55.751 54.840 0.056 0.000 0.852 398 L CB 1.071 43.156 42.059 0.043 0.000 1.169 398 L HN 0.547 nan 8.230 nan 0.000 0.452 399 V N 4.107 124.082 119.914 0.101 0.000 3.158 399 V HA 0.559 4.680 4.120 0.001 0.000 0.311 399 V C -0.525 175.697 176.094 0.214 0.000 1.181 399 V CA -0.621 61.768 62.300 0.149 0.000 1.054 399 V CB 1.754 33.678 31.823 0.168 0.000 1.085 399 V HN 0.858 nan 8.190 nan 0.000 0.446 400 H N 1.463 120.587 119.070 0.090 0.000 3.094 400 H HA -0.043 4.514 4.556 0.001 0.000 0.336 400 H C -0.367 174.952 175.328 -0.015 0.000 1.069 400 H CA 1.345 57.429 56.048 0.059 0.000 1.079 400 H CB -1.033 28.787 29.762 0.096 0.000 1.599 400 H HN 1.864 nan 8.280 nan 0.000 0.380 401 G N 2.911 111.739 108.800 0.047 0.000 2.343 401 G HA2 0.162 4.122 3.960 0.001 0.000 0.298 401 G HA3 0.162 4.122 3.960 0.001 0.000 0.298 401 G C -0.936 173.944 174.900 -0.033 0.000 1.644 401 G CA -0.463 44.630 45.100 -0.011 0.000 0.958 401 G HN 0.361 nan 8.290 nan 0.000 0.702 402 E N 0.516 120.677 120.200 -0.065 0.000 2.502 402 E HA 0.051 4.401 4.350 0.001 0.000 0.261 402 E C 1.310 177.890 176.600 -0.034 0.000 0.974 402 E CA 0.558 56.928 56.400 -0.050 0.000 0.936 402 E CB 1.376 31.036 29.700 -0.067 0.000 0.926 402 E HN 0.670 nan 8.360 nan 0.000 0.459 403 E N 2.718 122.906 120.200 -0.020 0.000 2.082 403 E HA -0.364 3.987 4.350 0.001 0.000 0.215 403 E C 1.279 177.869 176.600 -0.017 0.000 1.048 403 E CA 2.289 58.682 56.400 -0.012 0.000 0.869 403 E CB 0.153 29.847 29.700 -0.009 0.000 0.773 403 E HN 0.479 nan 8.360 nan 0.000 0.466 404 E N 0.704 120.890 120.200 -0.024 0.000 2.086 404 E HA -0.228 4.122 4.350 0.001 0.000 0.200 404 E C 2.039 178.621 176.600 -0.030 0.000 1.012 404 E CA 1.787 58.172 56.400 -0.025 0.000 0.812 404 E CB -0.163 29.519 29.700 -0.029 0.000 0.743 404 E HN 0.287 nan 8.360 nan 0.000 0.453 405 K N 0.006 120.379 120.400 -0.046 0.000 2.025 405 K HA -0.096 4.224 4.320 0.001 0.000 0.207 405 K C 2.152 178.731 176.600 -0.035 0.000 1.049 405 K CA 0.842 57.097 56.287 -0.054 0.000 0.933 405 K CB -0.394 32.048 32.500 -0.097 0.000 0.714 405 K HN 0.044 nan 8.250 nan 0.000 0.438 406 L N 1.265 122.472 121.223 -0.026 0.000 2.043 406 L HA -0.199 4.141 4.340 0.001 0.000 0.212 406 L C 2.268 179.138 176.870 -0.001 0.000 1.075 406 L CA 1.328 56.165 54.840 -0.006 0.000 0.752 406 L CB -0.657 41.406 42.059 0.007 0.000 0.891 406 L HN 0.094 nan 8.230 nan 0.000 0.432 407 L N -0.967 120.253 121.223 -0.005 0.000 2.017 407 L HA -0.124 4.216 4.340 0.001 0.000 0.208 407 L C 2.602 179.471 176.870 -0.003 0.000 1.073 407 L CA 1.992 56.831 54.840 -0.002 0.000 0.745 407 L CB -1.328 40.728 42.059 -0.005 0.000 0.894 407 L HN 0.271 nan 8.230 nan 0.000 0.432 408 A N -0.859 121.955 122.820 -0.009 0.000 1.917 408 A HA -0.262 4.059 4.320 0.001 0.000 0.219 408 A C 2.266 179.849 177.584 -0.003 0.000 1.182 408 A CA 2.175 54.207 52.037 -0.008 0.000 0.633 408 A CB -0.975 18.016 19.000 -0.015 0.000 0.819 408 A HN 0.408 nan 8.150 nan 0.000 0.448 409 L N -0.013 121.209 121.223 -0.001 0.000 2.027 409 L HA 0.025 4.366 4.340 0.001 0.000 0.206 409 L C 2.417 179.294 176.870 0.012 0.000 1.074 409 L CA 2.370 57.215 54.840 0.008 0.000 0.745 409 L CB -1.240 40.826 42.059 0.012 0.000 0.898 409 L HN 0.300 nan 8.230 nan 0.000 0.433 410 G N -0.454 108.353 108.800 0.010 0.000 2.491 410 G HA2 -0.414 3.546 3.960 0.001 0.000 0.218 410 G HA3 -0.414 3.546 3.960 0.001 0.000 0.218 410 G C 1.688 176.593 174.900 0.008 0.000 1.180 410 G CA 1.106 46.213 45.100 0.011 0.000 0.774 410 G HN 0.489 nan 8.290 nan 0.000 0.562 411 K N 0.015 120.418 120.400 0.005 0.000 2.015 411 K HA -0.100 4.220 4.320 0.001 0.000 0.216 411 K C 2.579 179.182 176.600 0.005 0.000 1.052 411 K CA 1.569 57.858 56.287 0.004 0.000 0.937 411 K CB -0.395 32.106 32.500 0.002 0.000 0.719 411 K HN 0.347 nan 8.250 nan 0.000 0.446 412 L N 0.829 122.056 121.223 0.006 0.000 2.042 412 L HA -0.218 4.123 4.340 0.001 0.000 0.210 412 L C 2.479 179.355 176.870 0.010 0.000 1.076 412 L CA 1.104 55.949 54.840 0.008 0.000 0.749 412 L CB -0.364 41.701 42.059 0.010 0.000 0.893 412 L HN 0.280 nan 8.230 nan 0.000 0.432 413 L N -0.730 120.500 121.223 0.012 0.000 2.017 413 L HA -0.205 4.136 4.340 0.001 0.000 0.208 413 L C 2.890 179.764 176.870 0.008 0.000 1.073 413 L CA 1.175 56.022 54.840 0.012 0.000 0.745 413 L CB -0.740 41.330 42.059 0.017 0.000 0.894 413 L HN 0.249 nan 8.230 nan 0.000 0.432 414 A N 0.149 122.973 122.820 0.007 0.000 1.865 414 A HA -0.204 4.116 4.320 0.001 0.000 0.217 414 A C 2.161 179.747 177.584 0.003 0.000 1.191 414 A CA 1.517 53.557 52.037 0.004 0.000 0.623 414 A CB -0.903 18.100 19.000 0.004 0.000 0.826 414 A HN 0.377 nan 8.150 nan 0.000 0.444 415 L N -1.303 119.922 121.223 0.004 0.000 2.642 415 L HA -0.074 4.267 4.340 0.001 0.000 0.236 415 L C 2.459 179.331 176.870 0.003 0.000 1.169 415 L CA 1.032 55.874 54.840 0.003 0.000 0.851 415 L CB -0.223 41.839 42.059 0.003 0.000 0.968 415 L HN 0.452 nan 8.230 nan 0.000 0.453 416 R N -0.540 119.962 120.500 0.003 0.000 2.397 416 R HA 0.137 4.478 4.340 0.001 0.000 0.241 416 R C 1.036 177.336 176.300 -0.001 0.000 0.914 416 R CA 0.678 56.779 56.100 0.002 0.000 1.071 416 R CB 0.611 30.913 30.300 0.003 0.000 1.116 416 R HN 0.195 nan 8.270 nan 0.000 0.524 417 G N 0.876 109.675 108.800 -0.001 0.000 2.138 417 G HA2 -0.229 3.732 3.960 0.001 0.000 0.193 417 G HA3 -0.229 3.732 3.960 0.001 0.000 0.193 417 G C -0.449 174.449 174.900 -0.004 0.000 0.998 417 G CA -0.299 44.799 45.100 -0.003 0.000 0.668 417 G HN 0.369 nan 8.290 nan 0.000 0.516 418 Q N 0.177 119.976 119.800 -0.003 0.000 2.256 418 Q HA 0.459 4.800 4.340 0.001 0.000 0.257 418 Q C -0.325 175.675 176.000 -0.000 0.000 0.936 418 Q CA -0.542 55.259 55.803 -0.003 0.000 0.903 418 Q CB 1.480 30.217 28.738 -0.002 0.000 1.263 418 Q HN 0.501 nan 8.270 nan 0.000 0.440 419 E N 1.574 121.773 120.200 -0.002 0.000 2.217 419 E HA 0.213 4.564 4.350 0.001 0.000 0.279 419 E C -1.055 175.547 176.600 0.004 0.000 1.068 419 E CA -0.175 56.225 56.400 0.000 0.000 0.882 419 E CB 1.262 30.961 29.700 -0.002 0.000 1.039 419 E HN 0.155 nan 8.360 nan 0.000 0.418 420 V N 2.927 122.844 119.914 0.006 0.000 2.680 420 V HA 0.664 4.784 4.120 0.001 0.000 0.309 420 V C -0.894 175.206 176.094 0.010 0.000 1.052 420 V CA -0.254 62.052 62.300 0.010 0.000 0.908 420 V CB 1.976 33.806 31.823 0.012 0.000 1.001 420 V HN 0.790 nan 8.190 nan 0.000 0.431 421 S N 5.700 121.407 115.700 0.013 0.000 2.607 421 S HA 0.751 5.221 4.470 0.001 0.000 0.273 421 S C -1.517 173.094 174.600 0.018 0.000 1.148 421 S CA -0.811 57.396 58.200 0.012 0.000 0.833 421 S CB 1.697 64.902 63.200 0.007 0.000 1.130 421 S HN 0.611 nan 8.310 nan 0.000 0.470 422 L N 2.156 123.390 121.223 0.018 0.000 2.371 422 L HA 0.655 4.995 4.340 0.001 0.000 0.262 422 L C 0.802 177.688 176.870 0.027 0.000 1.054 422 L CA -0.192 54.663 54.840 0.026 0.000 0.924 422 L CB 0.185 42.258 42.059 0.023 0.000 1.295 422 L HN 1.049 nan 8.230 nan 0.000 0.441 423 A N 3.590 126.428 122.820 0.030 0.000 2.611 423 A HA -0.041 4.280 4.320 0.001 0.000 0.239 423 A C 0.569 178.167 177.584 0.023 0.000 0.995 423 A CA 0.830 52.880 52.037 0.021 0.000 0.813 423 A CB -0.088 18.940 19.000 0.047 0.000 0.880 423 A HN 0.681 nan 8.150 nan 0.000 0.481 424 R N 0.539 121.036 120.500 -0.004 0.000 2.711 424 R HA 0.433 4.774 4.340 0.001 0.000 0.284 424 R C -0.562 175.736 176.300 -0.003 0.000 0.968 424 R CA -0.718 55.396 56.100 0.023 0.000 0.924 424 R CB 1.492 31.805 30.300 0.021 0.000 1.162 424 R HN 0.698 nan 8.270 nan 0.000 0.465 425 F N 1.872 121.785 119.950 -0.060 0.000 2.571 425 F HA 0.090 4.617 4.527 0.001 0.000 0.390 425 F C 1.277 176.988 175.800 -0.149 0.000 1.043 425 F CA 2.177 60.121 58.000 -0.093 0.000 1.164 425 F CB 0.349 39.337 39.000 -0.020 0.000 1.049 425 F HN 0.880 nan 8.300 nan 0.000 0.552 426 G N 3.962 112.292 108.800 -0.784 0.000 2.383 426 G HA2 -0.301 3.659 3.960 0.001 0.000 0.229 426 G HA3 -0.301 3.659 3.960 0.001 0.000 0.229 426 G C 0.278 174.973 174.900 -0.342 0.000 1.089 426 G CA 0.071 44.849 45.100 -0.538 0.000 0.640 426 G HN 0.606 nan 8.290 nan 0.000 0.510 427 E N 2.347 122.425 120.200 -0.203 0.000 1.881 427 E HA 0.427 4.777 4.350 0.001 0.000 0.264 427 E C 1.210 177.713 176.600 -0.162 0.000 1.243 427 E CA 0.077 56.401 56.400 -0.127 0.000 0.965 427 E CB 0.152 29.816 29.700 -0.061 0.000 1.055 427 E HN 0.545 nan 8.360 nan 0.000 0.412 428 G N 1.944 110.647 108.800 -0.161 0.000 2.554 428 G HA2 0.195 4.155 3.960 0.001 0.000 0.238 428 G HA3 0.195 4.155 3.960 0.001 0.000 0.238 428 G C -0.069 174.783 174.900 -0.080 0.000 1.259 428 G CA -0.425 44.593 45.100 -0.138 0.000 0.843 428 G HN 0.303 nan 8.290 nan 0.000 0.582 429 V N 3.408 123.284 119.914 -0.064 0.000 2.715 429 V HA 0.533 4.653 4.120 0.001 0.000 0.310 429 V C -1.874 174.204 176.094 -0.027 0.000 1.054 429 V CA -1.357 60.921 62.300 -0.038 0.000 0.928 429 V CB 2.389 34.195 31.823 -0.028 0.000 1.007 429 V HN 0.737 nan 8.190 nan 0.000 0.437 430 P HA 0.573 nan 4.420 nan 0.000 0.290 430 P C -0.486 176.810 177.300 -0.007 0.000 1.275 430 P CA -0.039 63.053 63.100 -0.012 0.000 0.841 430 P CB 2.138 33.832 31.700 -0.010 0.000 1.042 431 V N 0.000 119.911 119.914 -0.005 0.000 2.409 431 V HA 0.000 4.120 4.120 0.001 0.000 0.244 431 V CA 0.000 62.300 62.300 0.000 0.000 1.235 431 V CB 0.000 31.823 31.823 -0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556