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 2aqv_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDYTAAGFT LLQGAHLYAP EDRGICDVLV ANGKIIAVAS NIPSDIVPNC DATA SEQUENCE TVVDLSGQIL CPGFIDQHVH LIGGGGEAGP TTRTPEVALS RLTEAGVTSV DATA SEQUENCE VGLLGTDSIS RHPESLLAKT RALNEEGISA WMLTGAFHVP SRTITGSVEK DATA SEQUENCE DVAIIDRVIG VXCAISDHRS AAPDVYHLAN MAAESRVGGL LGGKPGVTVF DATA SEQUENCE HMGDSKKALQ PIYDLLENCD VPISKLLPTH VNRNVPLFEQ ALEFARKGGT DATA SEQUENCE IDITSSIDEP VAPAEGIARA VQAGIPLARV TLSSDGNGSX XXXXXXXXXX DATA SEQUENCE XXXVAGFETL LETVQVLVKD YDFSISDALR PLTSSVAGFL NLTGKGEILP DATA SEQUENCE GNDADLLVMT PELRIEQVYA RGKLMVKDGK ACVKGTFET VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.293 176.300 -0.011 0.000 1.140 1 M CA 0.000 55.314 55.300 0.024 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 I N 2.015 122.572 120.570 -0.022 0.000 2.395 2 I HA 0.225 4.395 4.170 -0.000 0.000 0.289 2 I C 0.013 175.950 176.117 -0.300 0.000 1.023 2 I CA -0.253 60.926 61.300 -0.202 0.000 1.350 2 I CB 0.906 38.719 38.000 -0.312 0.000 1.409 2 I HN 0.532 nan 8.210 nan 0.000 0.507 3 D N 5.669 125.875 120.400 -0.323 0.000 2.313 3 D HA 0.164 4.803 4.640 -0.000 0.000 0.239 3 D C -0.464 175.650 176.300 -0.310 0.000 1.142 3 D CA 0.106 53.983 54.000 -0.205 0.000 0.847 3 D CB 0.505 41.240 40.800 -0.107 0.000 1.082 3 D HN 0.322 nan 8.370 nan 0.000 0.480 4 Y N 1.316 121.647 120.300 0.052 0.000 2.660 4 Y HA 0.090 4.640 4.550 -0.000 0.000 0.254 4 Y C 2.223 178.129 175.900 0.010 0.000 1.176 4 Y CA -0.107 58.034 58.100 0.068 0.000 1.195 4 Y CB 0.426 38.995 38.460 0.182 0.000 1.190 4 Y HN 0.466 nan 8.280 nan 0.000 0.535 5 T N -2.905 111.711 114.554 0.103 0.000 2.962 5 T HA -0.171 4.178 4.350 -0.000 0.000 0.270 5 T C 2.157 176.829 174.700 -0.047 0.000 1.088 5 T CA 1.048 63.169 62.100 0.035 0.000 1.127 5 T CB -0.165 68.721 68.868 0.029 0.000 0.883 5 T HN 0.325 nan 8.240 nan 0.000 0.493 6 A N 1.574 124.362 122.820 -0.054 0.000 2.024 6 A HA 0.268 4.588 4.320 -0.000 0.000 0.220 6 A C 2.715 180.202 177.584 -0.161 0.000 1.164 6 A CA 1.699 53.687 52.037 -0.083 0.000 0.643 6 A CB -1.228 17.735 19.000 -0.061 0.000 0.806 6 A HN 0.825 nan 8.150 nan 0.000 0.451 7 A N -1.314 121.329 122.820 -0.296 0.000 2.119 7 A HA 0.377 4.697 4.320 -0.000 0.000 0.216 7 A C 1.834 179.095 177.584 -0.539 0.000 1.152 7 A CA 1.191 52.887 52.037 -0.569 0.000 0.708 7 A CB -1.099 17.158 19.000 -1.239 0.000 0.805 7 A HN 1.930 nan 8.150 nan 0.000 0.460 8 G N -0.715 107.880 108.800 -0.341 0.000 2.350 8 G HA2 -0.269 3.690 3.960 -0.000 0.000 0.298 8 G HA3 -0.269 3.690 3.960 -0.000 0.000 0.298 8 G C -0.105 174.719 174.900 -0.126 0.000 1.037 8 G CA 0.035 45.036 45.100 -0.166 0.000 1.074 8 G HN 0.394 nan 8.290 nan 0.000 0.511 9 F N 0.619 120.581 119.950 0.020 0.000 2.541 9 F HA 0.391 4.918 4.527 -0.000 0.000 0.378 9 F C 1.201 176.999 175.800 -0.005 0.000 1.068 9 F CA 0.484 58.484 58.000 0.001 0.000 1.199 9 F CB 0.981 39.976 39.000 -0.008 0.000 1.091 9 F HN 0.086 nan 8.300 nan 0.000 0.555 10 T N 5.259 119.931 114.554 0.197 0.000 2.928 10 T HA 0.404 4.754 4.350 -0.000 0.000 0.296 10 T C -1.274 173.443 174.700 0.027 0.000 1.000 10 T CA -0.570 61.578 62.100 0.080 0.000 0.989 10 T CB 1.572 70.454 68.868 0.022 0.000 1.005 10 T HN 0.306 nan 8.240 nan 0.000 0.442 11 L N 4.737 125.964 121.223 0.007 0.000 2.294 11 L HA 0.598 4.938 4.340 -0.000 0.000 0.283 11 L C -1.258 175.592 176.870 -0.034 0.000 1.015 11 L CA -0.580 54.248 54.840 -0.021 0.000 0.831 11 L CB 0.562 42.608 42.059 -0.022 0.000 1.217 11 L HN 0.599 nan 8.230 nan 0.000 0.420 12 L N 5.283 126.470 121.223 -0.061 0.000 2.259 12 L HA 0.515 4.855 4.340 -0.000 0.000 0.288 12 L C -0.067 176.785 176.870 -0.031 0.000 1.051 12 L CA -0.143 54.660 54.840 -0.062 0.000 0.824 12 L CB 0.944 42.928 42.059 -0.125 0.000 1.206 12 L HN 0.642 nan 8.230 nan 0.000 0.429 13 Q N 1.487 121.280 119.800 -0.012 0.000 2.309 13 Q HA 0.522 4.862 4.340 -0.000 0.000 0.264 13 Q C 0.814 176.816 176.000 0.005 0.000 1.008 13 Q CA 0.214 56.013 55.803 -0.007 0.000 0.853 13 Q CB 1.980 30.715 28.738 -0.006 0.000 1.314 13 Q HN 0.788 nan 8.270 nan 0.000 0.448 14 G N 1.382 110.182 108.800 0.001 0.000 2.179 14 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 14 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 14 G C 0.099 175.013 174.900 0.025 0.000 0.977 14 G CA 0.155 45.259 45.100 0.007 0.000 0.641 14 G HN 0.827 nan 8.290 nan 0.000 0.533 15 A N -0.606 122.237 122.820 0.039 0.000 2.257 15 A HA 0.692 5.012 4.320 -0.000 0.000 0.289 15 A C 0.142 177.790 177.584 0.107 0.000 1.095 15 A CA 0.200 52.286 52.037 0.081 0.000 0.836 15 A CB 0.416 19.472 19.000 0.092 0.000 1.111 15 A HN 0.924 nan 8.150 nan 0.000 0.497 16 H N 0.416 119.507 119.070 0.035 0.000 2.782 16 H HA 0.420 4.976 4.556 -0.001 0.000 0.285 16 H C -0.698 174.621 175.328 -0.016 0.000 1.093 16 H CA -0.686 55.358 56.048 -0.007 0.000 1.410 16 H CB 0.451 30.245 29.762 0.053 0.000 1.439 16 H HN 0.520 nan 8.280 nan 0.000 0.469 17 L N 6.619 127.970 121.223 0.214 0.000 2.276 17 L HA 0.213 4.553 4.340 -0.000 0.000 0.286 17 L C -1.639 175.158 176.870 -0.122 0.000 1.061 17 L CA -0.215 54.673 54.840 0.079 0.000 0.807 17 L CB 0.216 42.300 42.059 0.041 0.000 1.177 17 L HN 0.608 nan 8.230 nan 0.000 0.429 18 Y N 4.752 125.092 120.300 0.066 0.000 2.575 18 Y HA 0.478 5.028 4.550 -0.001 0.000 0.326 18 Y C 0.990 176.922 175.900 0.054 0.000 0.979 18 Y CA -0.309 57.814 58.100 0.039 0.000 1.286 18 Y CB 1.628 40.086 38.460 -0.003 0.000 1.093 18 Y HN 0.791 nan 8.280 nan 0.000 0.501 19 A N 4.391 127.298 122.820 0.145 0.000 2.168 19 A HA 0.001 4.321 4.320 -0.000 0.000 0.215 19 A C -0.726 176.925 177.584 0.113 0.000 1.152 19 A CA 0.458 52.559 52.037 0.108 0.000 0.716 19 A CB -1.033 18.005 19.000 0.063 0.000 0.794 19 A HN 0.512 nan 8.150 nan 0.000 0.465 20 P HA -0.079 nan 4.420 nan 0.000 0.222 20 P C -0.033 177.393 177.300 0.211 0.000 1.147 20 P CA 0.631 63.842 63.100 0.185 0.000 0.790 20 P CB -0.144 31.647 31.700 0.152 0.000 0.780 21 E N 1.078 121.358 120.200 0.133 0.000 2.452 21 E HA 0.016 4.366 4.350 -0.000 0.000 0.261 21 E C 0.365 177.003 176.600 0.063 0.000 0.987 21 E CA 0.203 56.665 56.400 0.104 0.000 0.926 21 E CB -0.335 29.400 29.700 0.058 0.000 0.934 21 E HN 0.031 nan 8.360 nan 0.000 0.452 22 D N 2.277 122.697 120.400 0.034 0.000 2.412 22 D HA -0.045 4.595 4.640 -0.000 0.000 0.257 22 D C 0.003 176.246 176.300 -0.094 0.000 1.217 22 D CA 0.258 54.161 54.000 -0.162 0.000 0.897 22 D CB 0.454 41.236 40.800 -0.030 0.000 1.132 22 D HN 0.319 nan 8.370 nan 0.000 0.493 23 R N 2.708 123.135 120.500 -0.122 0.000 2.509 23 R HA 0.302 4.642 4.340 -0.000 0.000 0.300 23 R C 1.220 177.453 176.300 -0.112 0.000 0.985 23 R CA 0.043 56.099 56.100 -0.073 0.000 1.092 23 R CB 0.452 30.726 30.300 -0.044 0.000 1.237 23 R HN 0.671 nan 8.270 nan 0.000 0.546 24 G N 1.975 110.659 108.800 -0.193 0.000 2.645 24 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.239 24 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.239 24 G C -0.075 174.592 174.900 -0.389 0.000 1.331 24 G CA -0.652 44.170 45.100 -0.463 0.000 0.890 24 G HN 0.189 nan 8.290 nan 0.000 0.572 25 I N 0.715 121.094 120.570 -0.318 0.000 2.436 25 I HA 0.411 4.581 4.170 -0.000 0.000 0.289 25 I C 0.701 176.762 176.117 -0.093 0.000 1.083 25 I CA 0.182 61.384 61.300 -0.164 0.000 1.372 25 I CB 0.144 38.063 38.000 -0.133 0.000 1.408 25 I HN 0.707 nan 8.210 nan 0.000 0.516 26 C N 6.357 125.627 119.300 -0.051 0.000 2.985 26 C HA 0.389 4.849 4.460 -0.000 0.000 0.332 26 C C -0.896 174.082 174.990 -0.020 0.000 1.164 26 C CA -0.722 58.274 59.018 -0.036 0.000 1.347 26 C CB 1.791 29.510 27.740 -0.036 0.000 1.764 26 C HN 0.689 nan 8.230 nan 0.000 0.489 27 D N 2.222 122.608 120.400 -0.023 0.000 2.253 27 D HA 0.576 5.216 4.640 -0.000 0.000 0.249 27 D C -0.616 175.671 176.300 -0.022 0.000 1.049 27 D CA -0.001 53.986 54.000 -0.022 0.000 0.929 27 D CB 1.803 42.587 40.800 -0.026 0.000 1.176 27 D HN 0.373 nan 8.370 nan 0.000 0.437 28 V N 2.042 121.938 119.914 -0.029 0.000 2.483 28 V HA 0.298 4.417 4.120 -0.000 0.000 0.297 28 V C -0.615 175.456 176.094 -0.040 0.000 1.027 28 V CA -0.849 61.431 62.300 -0.033 0.000 0.855 28 V CB 1.819 33.618 31.823 -0.040 0.000 0.995 28 V HN 0.302 nan 8.190 nan 0.000 0.424 29 L N 6.532 127.741 121.223 -0.024 0.000 2.322 29 L HA 0.835 5.175 4.340 -0.000 0.000 0.281 29 L C -0.648 176.231 176.870 0.016 0.000 1.014 29 L CA 0.059 54.894 54.840 -0.008 0.000 0.815 29 L CB 1.800 43.853 42.059 -0.011 0.000 1.247 29 L HN 0.451 nan 8.230 nan 0.000 0.421 30 V N 3.972 123.909 119.914 0.039 0.000 2.769 30 V HA 0.981 5.101 4.120 -0.000 0.000 0.312 30 V C -0.407 175.762 176.094 0.125 0.000 1.061 30 V CA -0.254 62.076 62.300 0.049 0.000 0.931 30 V CB 1.625 33.440 31.823 -0.013 0.000 1.010 30 V HN 0.996 nan 8.190 nan 0.000 0.433 31 A N 2.598 125.469 122.820 0.085 0.000 2.517 31 A HA 0.700 5.020 4.320 -0.000 0.000 0.297 31 A C -0.054 177.514 177.584 -0.026 0.000 1.050 31 A CA -0.476 51.578 52.037 0.029 0.000 0.694 31 A CB 0.810 19.885 19.000 0.125 0.000 1.277 31 A HN 1.089 nan 8.150 nan 0.000 0.400 32 N N 0.830 119.475 118.700 -0.092 0.000 2.721 32 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 32 N C 1.007 176.504 175.510 -0.022 0.000 1.072 32 N CA 2.029 55.041 53.050 -0.063 0.000 0.710 32 N CB -0.833 37.621 38.487 -0.054 0.000 0.993 32 N HN 2.351 nan 8.380 nan 0.000 0.547 33 G N -1.848 106.946 108.800 -0.009 0.000 2.184 33 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.264 33 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.264 33 G C 0.026 174.937 174.900 0.019 0.000 0.975 33 G CA 0.898 46.004 45.100 0.011 0.000 0.642 33 G HN 0.372 nan 8.290 nan 0.000 0.536 34 K N -0.079 120.331 120.400 0.017 0.000 2.267 34 K HA 0.624 4.944 4.320 -0.000 0.000 0.246 34 K C 0.242 176.857 176.600 0.025 0.000 0.954 34 K CA -1.034 55.268 56.287 0.024 0.000 0.824 34 K CB 1.928 34.444 32.500 0.027 0.000 1.167 34 K HN 0.187 nan 8.250 nan 0.000 0.431 35 I N 3.609 124.193 120.570 0.023 0.000 2.379 35 I HA 0.053 4.223 4.170 -0.000 0.000 0.290 35 I C 1.623 177.755 176.117 0.025 0.000 1.063 35 I CA 0.085 61.396 61.300 0.017 0.000 1.351 35 I CB 0.227 38.236 38.000 0.015 0.000 1.410 35 I HN 0.600 nan 8.210 nan 0.000 0.505 36 I N 3.396 123.985 120.570 0.031 0.000 3.854 36 I HA 0.560 4.729 4.170 -0.000 0.000 0.312 36 I C 0.675 176.804 176.117 0.020 0.000 1.273 36 I CA 0.032 61.354 61.300 0.036 0.000 1.298 36 I CB 0.434 38.472 38.000 0.063 0.000 1.071 36 I HN 0.489 nan 8.210 nan 0.000 0.428 37 A N 0.697 123.522 122.820 0.009 0.000 2.566 37 A HA 0.749 5.069 4.320 -0.000 0.000 0.297 37 A C -1.312 176.268 177.584 -0.007 0.000 1.059 37 A CA -0.414 51.621 52.037 -0.002 0.000 0.691 37 A CB 1.832 20.825 19.000 -0.013 0.000 1.282 37 A HN -0.028 nan 8.150 nan 0.000 0.401 38 V N 0.958 120.867 119.914 -0.007 0.000 2.488 38 V HA 0.846 4.966 4.120 -0.000 0.000 0.293 38 V C 0.072 176.158 176.094 -0.013 0.000 1.027 38 V CA 0.412 62.707 62.300 -0.009 0.000 0.862 38 V CB 0.960 32.782 31.823 -0.002 0.000 1.008 38 V HN 2.085 nan 8.190 nan 0.000 0.428 39 A N 3.333 126.141 122.820 -0.019 0.000 2.583 39 A HA 0.816 5.136 4.320 -0.000 0.000 0.292 39 A C -0.353 177.214 177.584 -0.028 0.000 1.045 39 A CA -0.287 51.736 52.037 -0.023 0.000 0.672 39 A CB 1.466 20.452 19.000 -0.023 0.000 1.283 39 A HN 1.081 nan 8.150 nan 0.000 0.419 40 S N 1.684 117.365 115.700 -0.031 0.000 2.580 40 S HA 0.465 4.935 4.470 -0.000 0.000 0.274 40 S C 0.159 174.740 174.600 -0.032 0.000 1.329 40 S CA -0.043 58.136 58.200 -0.034 0.000 1.036 40 S CB 0.210 63.386 63.200 -0.040 0.000 0.919 40 S HN 1.278 nan 8.310 nan 0.000 0.515 41 N N 0.229 118.911 118.700 -0.031 0.000 2.696 41 N HA -0.146 4.594 4.740 -0.000 0.000 0.256 41 N C -0.805 174.685 175.510 -0.033 0.000 1.031 41 N CA 0.566 53.597 53.050 -0.030 0.000 0.730 41 N CB -1.518 36.952 38.487 -0.029 0.000 0.894 41 N HN 0.758 nan 8.380 nan 0.000 0.544 42 I N 1.029 121.578 120.570 -0.035 0.000 2.529 42 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 42 I C -1.535 174.554 176.117 -0.046 0.000 1.082 42 I CA -1.566 59.709 61.300 -0.042 0.000 1.406 42 I CB 0.555 38.529 38.000 -0.044 0.000 1.405 42 I HN -0.131 nan 8.210 nan 0.000 0.548 43 P HA 0.033 nan 4.420 nan 0.000 0.267 43 P C 0.494 177.755 177.300 -0.065 0.000 1.209 43 P CA -0.155 62.911 63.100 -0.056 0.000 0.763 43 P CB 0.591 32.255 31.700 -0.060 0.000 0.816 44 S N 0.877 116.545 115.700 -0.053 0.000 2.584 44 S HA -0.135 4.335 4.470 -0.000 0.000 0.240 44 S C 0.882 175.441 174.600 -0.068 0.000 0.975 44 S CA 0.911 59.079 58.200 -0.052 0.000 0.949 44 S CB -0.609 62.571 63.200 -0.034 0.000 0.761 44 S HN 0.593 nan 8.310 nan 0.000 0.536 45 D N -0.383 119.968 120.400 -0.082 0.000 2.503 45 D HA 0.143 4.783 4.640 -0.000 0.000 0.218 45 D C 1.137 177.354 176.300 -0.138 0.000 1.183 45 D CA -0.503 53.438 54.000 -0.099 0.000 0.827 45 D CB -0.500 40.257 40.800 -0.072 0.000 1.034 45 D HN 0.309 nan 8.370 nan 0.000 0.510 46 I N 1.645 122.127 120.570 -0.147 0.000 2.423 46 I HA -0.132 4.038 4.170 -0.000 0.000 0.254 46 I C 0.405 176.360 176.117 -0.271 0.000 1.151 46 I CA 0.873 62.069 61.300 -0.174 0.000 1.421 46 I CB 0.013 37.923 38.000 -0.150 0.000 1.079 46 I HN 0.127 nan 8.210 nan 0.000 0.431 47 V N -2.488 117.203 119.914 -0.371 0.000 2.925 47 V HA 0.651 4.771 4.120 -0.000 0.000 0.311 47 V C -2.714 173.089 176.094 -0.486 0.000 1.104 47 V CA -1.753 60.177 62.300 -0.617 0.000 0.954 47 V CB 1.258 32.314 31.823 -1.279 0.000 1.022 47 V HN -0.069 nan 8.190 nan 0.000 0.427 48 P HA 0.249 nan 4.420 nan 0.000 0.273 48 P C -0.060 177.237 177.300 -0.005 0.000 1.250 48 P CA 0.113 63.045 63.100 -0.279 0.000 0.793 48 P CB -0.030 31.287 31.700 -0.638 0.000 1.011 49 N N -2.791 115.968 118.700 0.099 0.000 2.707 49 N HA -0.192 4.548 4.740 -0.000 0.000 0.253 49 N C -0.250 175.390 175.510 0.216 0.000 0.998 49 N CA 0.211 53.375 53.050 0.189 0.000 0.751 49 N CB -1.552 37.100 38.487 0.275 0.000 0.920 49 N HN 0.459 nan 8.380 nan 0.000 0.539 50 C N 0.918 120.290 119.300 0.121 0.000 2.347 50 C HA 0.340 4.800 4.460 -0.000 0.000 0.353 50 C C 0.854 175.896 174.990 0.087 0.000 1.273 50 C CA -0.312 58.777 59.018 0.120 0.000 1.861 50 C CB 0.050 27.794 27.740 0.007 0.000 2.420 50 C HN 0.375 nan 8.230 nan 0.000 0.542 51 T N 5.870 120.484 114.554 0.100 0.000 2.729 51 T HA 0.333 4.682 4.350 -0.000 0.000 0.296 51 T C -0.105 174.626 174.700 0.051 0.000 0.928 51 T CA -0.095 62.048 62.100 0.072 0.000 1.045 51 T CB 0.568 69.485 68.868 0.081 0.000 0.902 51 T HN 0.573 nan 8.240 nan 0.000 0.500 52 V N 5.096 125.032 119.914 0.037 0.000 2.407 52 V HA 0.392 4.511 4.120 -0.000 0.000 0.278 52 V C 0.017 176.129 176.094 0.030 0.000 1.037 52 V CA -0.651 61.662 62.300 0.022 0.000 0.900 52 V CB 1.579 33.408 31.823 0.010 0.000 0.983 52 V HN 0.653 nan 8.190 nan 0.000 0.459 53 V N 3.690 123.619 119.914 0.025 0.000 2.378 53 V HA 0.331 4.451 4.120 -0.000 0.000 0.288 53 V C -0.362 175.750 176.094 0.030 0.000 1.016 53 V CA -0.688 61.636 62.300 0.041 0.000 0.840 53 V CB 1.795 33.659 31.823 0.068 0.000 0.994 53 V HN 0.944 nan 8.190 nan 0.000 0.431 54 D N 4.730 125.150 120.400 0.033 0.000 2.339 54 D HA 0.305 4.945 4.640 -0.000 0.000 0.241 54 D C 0.317 176.639 176.300 0.036 0.000 1.183 54 D CA 0.052 54.068 54.000 0.027 0.000 0.859 54 D CB 0.958 41.772 40.800 0.023 0.000 1.067 54 D HN 0.483 nan 8.370 nan 0.000 0.484 55 L N 2.965 124.209 121.223 0.036 0.000 2.965 55 L HA 0.159 4.499 4.340 -0.000 0.000 0.254 55 L C 0.577 177.475 176.870 0.047 0.000 1.220 55 L CA -0.450 54.419 54.840 0.048 0.000 1.023 55 L CB -0.111 41.979 42.059 0.051 0.000 1.355 55 L HN 0.363 nan 8.230 nan 0.000 0.545 56 S N -0.395 115.327 115.700 0.037 0.000 2.558 56 S HA 0.288 4.757 4.470 -0.000 0.000 0.288 56 S C 1.406 176.034 174.600 0.046 0.000 1.318 56 S CA 0.360 58.581 58.200 0.036 0.000 1.056 56 S CB 1.141 64.356 63.200 0.024 0.000 0.853 56 S HN 0.583 nan 8.310 nan 0.000 0.505 57 G N 1.278 110.111 108.800 0.055 0.000 2.179 57 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.260 57 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.260 57 G C 0.051 174.999 174.900 0.080 0.000 0.977 57 G CA 0.435 45.574 45.100 0.064 0.000 0.641 57 G HN 0.799 nan 8.290 nan 0.000 0.533 58 Q N -0.646 119.207 119.800 0.087 0.000 2.286 58 Q HA 0.784 5.124 4.340 -0.000 0.000 0.250 58 Q C 0.049 176.129 176.000 0.132 0.000 1.021 58 Q CA -0.734 55.126 55.803 0.095 0.000 0.930 58 Q CB 1.645 30.430 28.738 0.080 0.000 1.266 58 Q HN 0.371 nan 8.270 nan 0.000 0.491 59 I N 0.929 121.574 120.570 0.126 0.000 2.493 59 I HA 0.310 4.480 4.170 -0.000 0.000 0.298 59 I C -1.008 175.194 176.117 0.142 0.000 0.998 59 I CA -0.875 60.525 61.300 0.167 0.000 1.137 59 I CB 1.744 39.823 38.000 0.131 0.000 1.310 59 I HN 0.269 nan 8.210 nan 0.000 0.445 60 L N 7.733 129.059 121.223 0.172 0.000 2.356 60 L HA 0.717 5.056 4.340 -0.000 0.000 0.277 60 L C -0.630 176.333 176.870 0.155 0.000 0.996 60 L CA -0.169 54.747 54.840 0.127 0.000 0.822 60 L CB 1.182 43.296 42.059 0.092 0.000 1.256 60 L HN 0.878 nan 8.230 nan 0.000 0.413 61 C N 2.467 121.836 119.300 0.114 0.000 3.323 61 C HA 0.854 5.313 4.460 -0.000 0.000 0.324 61 C C -2.739 172.303 174.990 0.086 0.000 1.428 61 C CA -1.924 57.172 59.018 0.130 0.000 1.368 61 C CB 1.635 29.460 27.740 0.141 0.000 1.731 61 C HN 0.675 nan 8.230 nan 0.000 0.455 62 P HA 0.368 nan 4.420 nan 0.000 0.272 62 P C 0.300 177.636 177.300 0.060 0.000 1.223 62 P CA 0.836 63.992 63.100 0.095 0.000 0.784 62 P CB 0.220 31.996 31.700 0.125 0.000 0.923 63 G N 1.592 110.413 108.800 0.035 0.000 2.544 63 G HA2 0.289 4.249 3.960 -0.000 0.000 0.242 63 G HA3 0.289 4.249 3.960 -0.000 0.000 0.242 63 G C -0.600 174.370 174.900 0.117 0.000 1.247 63 G CA -0.285 44.789 45.100 -0.043 0.000 0.840 63 G HN 0.215 nan 8.290 nan 0.000 0.578 64 F N -0.303 119.683 119.950 0.059 0.000 2.418 64 F HA 0.410 4.937 4.527 -0.000 0.000 0.341 64 F C 0.881 176.726 175.800 0.074 0.000 1.120 64 F CA -1.139 56.898 58.000 0.062 0.000 1.232 64 F CB 0.858 39.893 39.000 0.058 0.000 1.175 64 F HN 0.113 nan 8.300 nan 0.000 0.569 65 I N 2.287 123.035 120.570 0.298 0.000 2.382 65 I HA 0.191 4.361 4.170 -0.000 0.000 0.285 65 I C -0.739 175.484 176.117 0.178 0.000 1.007 65 I CA -0.568 60.857 61.300 0.208 0.000 1.142 65 I CB 1.418 39.513 38.000 0.159 0.000 1.289 65 I HN 0.344 nan 8.210 nan 0.000 0.453 66 D N 6.124 126.638 120.400 0.190 0.000 2.427 66 D HA 0.140 4.780 4.640 -0.000 0.000 0.226 66 D C 0.600 177.014 176.300 0.191 0.000 1.076 66 D CA -0.395 53.720 54.000 0.192 0.000 0.849 66 D CB 1.264 42.210 40.800 0.243 0.000 1.052 66 D HN 0.612 nan 8.370 nan 0.000 0.515 67 Q N 2.130 122.032 119.800 0.170 0.000 2.365 67 Q HA 0.024 4.364 4.340 -0.000 0.000 0.203 67 Q C -0.263 175.837 176.000 0.166 0.000 0.929 67 Q CA 0.233 56.129 55.803 0.155 0.000 0.948 67 Q CB 0.028 28.846 28.738 0.132 0.000 1.043 67 Q HN 0.447 nan 8.270 nan 0.000 0.505 68 H N -0.077 119.053 119.070 0.099 0.000 2.607 68 H HA 0.485 5.040 4.556 -0.000 0.000 0.248 68 H C -1.803 173.574 175.328 0.080 0.000 1.355 68 H CA -0.592 55.496 56.048 0.067 0.000 1.524 68 H CB 0.856 30.667 29.762 0.080 0.000 1.563 68 H HN 0.039 nan 8.280 nan 0.000 0.509 69 V N 3.800 123.784 119.914 0.117 0.000 2.588 69 V HA 0.134 4.254 4.120 -0.000 0.000 0.304 69 V C -0.063 176.027 176.094 -0.007 0.000 1.042 69 V CA -0.903 61.513 62.300 0.194 0.000 0.877 69 V CB 1.774 33.789 31.823 0.319 0.000 0.996 69 V HN 0.762 nan 8.190 nan 0.000 0.425 70 H N 5.745 124.926 119.070 0.186 0.000 2.923 70 H HA 0.270 4.826 4.556 -0.001 0.000 0.251 70 H C 1.111 176.510 175.328 0.117 0.000 1.741 70 H CA -0.096 56.022 56.048 0.116 0.000 1.387 70 H CB 0.547 30.360 29.762 0.086 0.000 1.740 70 H HN 0.554 nan 8.280 nan 0.000 0.544 71 L N 1.548 122.867 121.223 0.160 0.000 2.051 71 L HA -0.248 4.092 4.340 -0.000 0.000 0.214 71 L C 2.317 179.262 176.870 0.124 0.000 1.076 71 L CA 1.711 56.634 54.840 0.139 0.000 0.758 71 L CB -0.270 41.841 42.059 0.086 0.000 0.890 71 L HN 0.542 nan 8.230 nan 0.000 0.433 72 I N -2.826 117.809 120.570 0.110 0.000 3.684 72 I HA 0.390 4.560 4.170 -0.000 0.000 0.304 72 I C 0.855 177.024 176.117 0.086 0.000 1.278 72 I CA 0.295 61.648 61.300 0.088 0.000 1.272 72 I CB -0.428 37.615 38.000 0.071 0.000 1.029 72 I HN 0.189 nan 8.210 nan 0.000 0.458 73 G N 0.048 108.916 108.800 0.114 0.000 2.570 73 G HA2 0.286 4.245 3.960 -0.000 0.000 0.686 73 G HA3 0.286 4.245 3.960 -0.000 0.000 0.686 73 G C -0.523 174.410 174.900 0.055 0.000 1.257 73 G CA -0.647 44.499 45.100 0.077 0.000 0.846 73 G HN 0.695 nan 8.290 nan 0.000 0.627 74 G N -1.383 107.394 108.800 -0.039 0.000 3.100 74 G HA2 1.022 4.982 3.960 -0.000 0.000 0.174 74 G HA3 1.022 4.982 3.960 -0.000 0.000 0.174 74 G C 1.208 176.012 174.900 -0.160 0.000 1.136 74 G CA 1.338 46.342 45.100 -0.160 0.000 0.881 74 G HN 2.762 nan 8.290 nan 0.000 0.616 75 G N -1.125 107.542 108.800 -0.221 0.000 2.569 75 G HA2 0.330 4.290 3.960 -0.000 0.000 0.259 75 G HA3 0.330 4.290 3.960 -0.000 0.000 0.259 75 G C 1.503 176.321 174.900 -0.137 0.000 1.263 75 G CA 1.707 46.711 45.100 -0.160 0.000 0.928 75 G HN 2.675 nan 8.290 nan 0.000 0.572 76 G N -2.034 106.709 108.800 -0.095 0.000 2.175 76 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 76 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 76 G C 0.735 175.594 174.900 -0.068 0.000 0.982 76 G CA 1.196 46.249 45.100 -0.077 0.000 0.641 76 G HN 1.307 nan 8.290 nan 0.000 0.527 77 E N 0.070 120.227 120.200 -0.070 0.000 2.418 77 E HA 0.404 4.753 4.350 -0.000 0.000 0.197 77 E C 1.984 178.572 176.600 -0.020 0.000 1.026 77 E CA 1.064 57.439 56.400 -0.042 0.000 0.862 77 E CB 0.087 29.770 29.700 -0.029 0.000 0.799 77 E HN 0.878 nan 8.360 nan 0.000 0.518 78 A N 0.409 123.213 122.820 -0.026 0.000 2.749 78 A HA 0.615 4.935 4.320 -0.000 0.000 0.299 78 A C 0.507 178.079 177.584 -0.020 0.000 1.105 78 A CA 0.118 52.144 52.037 -0.018 0.000 0.987 78 A CB -0.292 18.697 19.000 -0.018 0.000 1.180 78 A HN 0.162 nan 8.150 nan 0.000 0.528 79 G N 0.209 108.995 108.800 -0.023 0.000 2.712 79 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.683 79 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.683 79 G C -1.611 173.273 174.900 -0.027 0.000 1.320 79 G CA -0.297 44.789 45.100 -0.022 0.000 0.847 79 G HN 0.097 nan 8.290 nan 0.000 0.553 80 P HA -0.127 nan 4.420 nan 0.000 0.217 80 P C 2.053 179.340 177.300 -0.022 0.000 1.148 80 P CA 2.873 65.959 63.100 -0.022 0.000 0.828 80 P CB -0.318 31.372 31.700 -0.017 0.000 0.783 81 T N -3.799 110.743 114.554 -0.020 0.000 3.035 81 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 81 T C 1.415 176.102 174.700 -0.023 0.000 1.109 81 T CA 1.561 63.650 62.100 -0.018 0.000 1.119 81 T CB -1.594 67.265 68.868 -0.016 0.000 0.900 81 T HN 0.249 nan 8.240 nan 0.000 0.503 82 T N -0.763 113.774 114.554 -0.029 0.000 3.188 82 T HA 0.278 4.628 4.350 -0.000 0.000 0.250 82 T C 0.626 175.298 174.700 -0.046 0.000 1.077 82 T CA -0.692 61.386 62.100 -0.036 0.000 0.967 82 T CB -0.438 68.407 68.868 -0.039 0.000 1.006 82 T HN 0.341 nan 8.240 nan 0.000 0.552 83 R N 3.196 123.672 120.500 -0.039 0.000 2.296 83 R HA 0.327 4.667 4.340 -0.000 0.000 0.323 83 R C 0.701 176.982 176.300 -0.032 0.000 1.067 83 R CA -0.176 55.898 56.100 -0.042 0.000 0.946 83 R CB 0.449 30.729 30.300 -0.032 0.000 0.991 83 R HN 0.488 nan 8.270 nan 0.000 0.448 84 T N 1.277 115.809 114.554 -0.038 0.000 2.868 84 T HA 0.332 4.682 4.350 -0.000 0.000 0.292 84 T C -1.969 172.734 174.700 0.005 0.000 1.028 84 T CA -1.649 60.439 62.100 -0.019 0.000 1.059 84 T CB 0.989 69.840 68.868 -0.029 0.000 0.991 84 T HN 0.271 nan 8.240 nan 0.000 0.531 85 P HA 0.244 nan 4.420 nan 0.000 0.276 85 P C -0.012 177.323 177.300 0.058 0.000 1.252 85 P CA -0.701 62.419 63.100 0.033 0.000 0.802 85 P CB 0.363 32.083 31.700 0.033 0.000 1.035 86 E N -0.169 120.068 120.200 0.062 0.000 2.425 86 E HA 0.181 4.530 4.350 -0.000 0.000 0.258 86 E C -0.631 176.033 176.600 0.105 0.000 1.151 86 E CA -0.784 55.667 56.400 0.084 0.000 0.958 86 E CB 0.158 29.902 29.700 0.074 0.000 0.968 86 E HN 0.039 nan 8.360 nan 0.000 0.451 87 V N 1.212 121.205 119.914 0.131 0.000 2.583 87 V HA 0.359 4.479 4.120 -0.000 0.000 0.287 87 V C 0.361 176.517 176.094 0.104 0.000 1.051 87 V CA -0.015 62.381 62.300 0.159 0.000 1.010 87 V CB 0.936 32.886 31.823 0.212 0.000 0.988 87 V HN 0.807 nan 8.190 nan 0.000 0.478 88 A N 3.813 126.690 122.820 0.094 0.000 2.310 88 A HA 0.557 4.877 4.320 -0.000 0.000 0.299 88 A C 0.783 178.372 177.584 0.008 0.000 1.147 88 A CA -0.507 51.563 52.037 0.055 0.000 0.818 88 A CB 0.704 19.738 19.000 0.058 0.000 1.096 88 A HN 0.901 nan 8.150 nan 0.000 0.495 89 L N 3.213 124.429 121.223 -0.011 0.000 1.997 89 L HA -0.256 4.083 4.340 -0.000 0.000 0.216 89 L C 2.711 179.543 176.870 -0.063 0.000 1.074 89 L CA 3.349 58.161 54.840 -0.046 0.000 0.763 89 L CB -0.657 41.375 42.059 -0.045 0.000 0.890 89 L HN 0.906 nan 8.230 nan 0.000 0.434 90 S N -1.010 114.667 115.700 -0.038 0.000 2.419 90 S HA -0.198 4.272 4.470 -0.000 0.000 0.235 90 S C 2.080 176.657 174.600 -0.039 0.000 1.019 90 S CA 0.853 59.030 58.200 -0.038 0.000 0.982 90 S CB -0.671 62.517 63.200 -0.020 0.000 0.789 90 S HN 0.524 nan 8.310 nan 0.000 0.490 91 R N 0.838 121.323 120.500 -0.026 0.000 2.115 91 R HA 0.145 4.485 4.340 -0.000 0.000 0.230 91 R C 2.279 178.476 176.300 -0.172 0.000 1.111 91 R CA 1.111 57.208 56.100 -0.004 0.000 0.976 91 R CB -0.794 29.578 30.300 0.120 0.000 0.870 91 R HN 0.484 nan 8.270 nan 0.000 0.445 92 L N 0.140 121.181 121.223 -0.304 0.000 2.023 92 L HA -0.118 4.222 4.340 -0.000 0.000 0.205 92 L C 2.761 179.503 176.870 -0.213 0.000 1.073 92 L CA 1.786 56.363 54.840 -0.439 0.000 0.745 92 L CB -0.977 40.856 42.059 -0.376 0.000 0.900 92 L HN 0.254 nan 8.230 nan 0.000 0.435 93 T N -2.758 111.711 114.554 -0.141 0.000 2.788 93 T HA -0.198 4.152 4.350 -0.000 0.000 0.268 93 T C 1.565 176.214 174.700 -0.086 0.000 1.044 93 T CA 1.333 63.370 62.100 -0.105 0.000 1.139 93 T CB -0.422 68.390 68.868 -0.093 0.000 0.867 93 T HN 0.361 nan 8.240 nan 0.000 0.454 94 E N 1.503 121.666 120.200 -0.062 0.000 2.268 94 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 94 E C 2.152 178.750 176.600 -0.003 0.000 0.995 94 E CA 0.777 57.158 56.400 -0.030 0.000 0.836 94 E CB -0.212 29.484 29.700 -0.006 0.000 0.763 94 E HN 0.739 nan 8.360 nan 0.000 0.491 95 A N 0.113 122.938 122.820 0.008 0.000 2.275 95 A HA 0.336 4.656 4.320 -0.000 0.000 0.212 95 A C 1.620 179.257 177.584 0.088 0.000 1.201 95 A CA 0.625 52.718 52.037 0.093 0.000 0.843 95 A CB -0.034 19.069 19.000 0.170 0.000 0.873 95 A HN 0.293 nan 8.150 nan 0.000 0.492 96 G N -1.422 107.337 108.800 -0.068 0.000 2.157 96 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 96 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 96 G C 0.116 174.873 174.900 -0.238 0.000 0.979 96 G CA 0.080 45.000 45.100 -0.300 0.000 0.650 96 G HN 0.793 nan 8.290 nan 0.000 0.529 97 V N 1.934 121.831 119.914 -0.028 0.000 2.408 97 V HA 0.507 4.627 4.120 -0.000 0.000 0.267 97 V C 1.477 177.567 176.094 -0.006 0.000 1.047 97 V CA 0.949 63.277 62.300 0.046 0.000 0.937 97 V CB 1.036 32.863 31.823 0.006 0.000 0.999 97 V HN 0.645 nan 8.190 nan 0.000 0.472 98 T N -0.152 114.427 114.554 0.042 0.000 2.985 98 T HA 0.220 4.570 4.350 -0.000 0.000 0.254 98 T C 0.625 175.374 174.700 0.082 0.000 1.021 98 T CA -0.101 62.020 62.100 0.035 0.000 0.957 98 T CB 0.423 69.311 68.868 0.032 0.000 1.047 98 T HN 0.448 nan 8.240 nan 0.000 0.511 99 S N 0.381 116.166 115.700 0.142 0.000 2.538 99 S HA 0.776 5.246 4.470 -0.000 0.000 0.288 99 S C -1.378 173.363 174.600 0.234 0.000 1.108 99 S CA -0.613 57.729 58.200 0.237 0.000 0.971 99 S CB 2.431 65.830 63.200 0.332 0.000 1.041 99 S HN 0.300 nan 8.310 nan 0.000 0.483 100 V N 3.343 123.416 119.914 0.265 0.000 3.114 100 V HA 0.753 4.872 4.120 -0.000 0.000 0.308 100 V C -1.566 174.706 176.094 0.298 0.000 1.168 100 V CA -0.485 61.947 62.300 0.221 0.000 1.015 100 V CB 2.331 34.229 31.823 0.124 0.000 1.050 100 V HN 0.637 nan 8.190 nan 0.000 0.433 101 V N 4.335 124.383 119.914 0.223 0.000 2.407 101 V HA 0.729 4.848 4.120 -0.000 0.000 0.291 101 V C 0.624 176.773 176.094 0.093 0.000 1.018 101 V CA 0.034 62.451 62.300 0.195 0.000 0.842 101 V CB 1.288 33.195 31.823 0.140 0.000 0.996 101 V HN 1.065 nan 8.190 nan 0.000 0.426 102 G N 4.508 113.351 108.800 0.073 0.000 2.425 102 G HA2 0.757 4.717 3.960 -0.000 0.000 0.302 102 G HA3 0.757 4.717 3.960 -0.000 0.000 0.302 102 G C -1.026 173.838 174.900 -0.059 0.000 1.159 102 G CA -0.337 44.767 45.100 0.006 0.000 0.865 102 G HN 0.774 nan 8.290 nan 0.000 0.515 103 L N -1.106 120.026 121.223 -0.151 0.000 2.765 103 L HA 0.699 5.038 4.340 -0.000 0.000 0.263 103 L C -0.766 176.030 176.870 -0.123 0.000 1.068 103 L CA -1.195 53.547 54.840 -0.164 0.000 0.903 103 L CB 1.000 42.893 42.059 -0.277 0.000 1.512 103 L HN 0.410 nan 8.230 nan 0.000 0.404 104 L N -0.352 120.865 121.223 -0.010 0.000 2.332 104 L HA 0.944 5.284 4.340 -0.000 0.000 0.269 104 L C 0.596 177.552 176.870 0.144 0.000 1.016 104 L CA -0.263 54.627 54.840 0.083 0.000 0.809 104 L CB 1.700 43.772 42.059 0.021 0.000 1.280 104 L HN 0.993 nan 8.230 nan 0.000 0.447 105 G N -0.680 108.117 108.800 -0.005 0.000 3.341 105 G HA2 0.211 4.171 3.960 -0.000 0.000 0.177 105 G HA3 0.211 4.171 3.960 -0.000 0.000 0.177 105 G C 0.698 174.943 174.900 -1.092 0.000 1.236 105 G CA 0.369 45.166 45.100 -0.504 0.000 0.888 105 G HN 0.519 nan 8.290 nan 0.000 0.644 106 T N 0.578 114.234 114.554 -1.497 0.000 2.684 106 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 106 T C 0.768 175.235 174.700 -0.388 0.000 1.036 106 T CA 1.575 63.098 62.100 -0.962 0.000 1.148 106 T CB -0.233 68.269 68.868 -0.611 0.000 0.863 106 T HN 0.373 nan 8.240 nan 0.000 0.436 107 D N 1.742 121.950 120.400 -0.319 0.000 2.336 107 D HA 0.211 4.851 4.640 -0.000 0.000 0.249 107 D C 0.154 176.348 176.300 -0.177 0.000 1.213 107 D CA -0.262 53.621 54.000 -0.195 0.000 0.870 107 D CB 0.459 41.160 40.800 -0.164 0.000 1.076 107 D HN 0.253 nan 8.370 nan 0.000 0.483 108 S N 3.243 118.847 115.700 -0.160 0.000 2.902 108 S HA 0.202 4.671 4.470 -0.000 0.000 0.250 108 S C 1.043 175.487 174.600 -0.260 0.000 1.046 108 S CA -0.581 57.502 58.200 -0.195 0.000 1.069 108 S CB -0.031 63.101 63.200 -0.113 0.000 0.967 108 S HN 0.410 nan 8.310 nan 0.000 0.530 109 I N 2.070 122.502 120.570 -0.230 0.000 2.899 109 I HA 0.103 4.273 4.170 -0.000 0.000 0.257 109 I C 2.385 178.378 176.117 -0.207 0.000 1.115 109 I CA 1.235 62.427 61.300 -0.179 0.000 1.451 109 I CB -0.896 37.047 38.000 -0.094 0.000 1.251 109 I HN 0.586 nan 8.210 nan 0.000 0.456 110 S N 0.626 116.223 115.700 -0.172 0.000 2.556 110 S HA 0.216 4.685 4.470 -0.000 0.000 0.216 110 S C 0.785 175.313 174.600 -0.119 0.000 0.970 110 S CA -0.288 57.875 58.200 -0.062 0.000 0.912 110 S CB 0.265 63.452 63.200 -0.020 0.000 0.790 110 S HN 0.110 nan 8.310 nan 0.000 0.504 111 R N 1.555 121.841 120.500 -0.355 0.000 2.562 111 R HA 0.574 4.914 4.340 -0.000 0.000 0.298 111 R C -1.556 174.410 176.300 -0.556 0.000 0.961 111 R CA -0.369 55.577 56.100 -0.256 0.000 0.881 111 R CB 1.073 31.293 30.300 -0.133 0.000 1.159 111 R HN 0.444 nan 8.270 nan 0.000 0.450 112 H N 1.425 120.491 119.070 -0.005 0.000 2.717 112 H HA 0.289 4.845 4.556 -0.000 0.000 0.366 112 H C -1.710 173.620 175.328 0.003 0.000 1.132 112 H CA -1.776 54.270 56.048 -0.005 0.000 1.180 112 H CB 1.826 31.583 29.762 -0.008 0.000 1.678 112 H HN 0.221 nan 8.280 nan 0.000 0.537 113 P HA -0.159 nan 4.420 nan 0.000 0.218 113 P C 0.682 178.022 177.300 0.066 0.000 1.148 113 P CA 1.203 64.341 63.100 0.063 0.000 0.822 113 P CB 0.500 32.228 31.700 0.046 0.000 0.784 114 E N -0.418 119.830 120.200 0.080 0.000 2.110 114 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 114 E C 2.152 178.779 176.600 0.044 0.000 0.988 114 E CA 1.424 57.852 56.400 0.048 0.000 0.804 114 E CB -0.822 28.892 29.700 0.024 0.000 0.745 114 E HN 0.209 nan 8.360 nan 0.000 0.458 115 S N 0.490 116.233 115.700 0.072 0.000 2.371 115 S HA -0.090 4.380 4.470 -0.000 0.000 0.224 115 S C 1.823 176.453 174.600 0.051 0.000 1.029 115 S CA 0.657 58.893 58.200 0.060 0.000 0.978 115 S CB -0.230 63.024 63.200 0.090 0.000 0.833 115 S HN 0.162 nan 8.310 nan 0.000 0.466 116 L N 1.744 123.001 121.223 0.056 0.000 2.083 116 L HA 0.017 4.357 4.340 -0.000 0.000 0.209 116 L C 2.027 178.915 176.870 0.031 0.000 1.083 116 L CA 1.362 56.228 54.840 0.044 0.000 0.752 116 L CB -0.668 41.415 42.059 0.041 0.000 0.899 116 L HN 0.279 nan 8.230 nan 0.000 0.433 117 L N -0.137 121.103 121.223 0.029 0.000 2.046 117 L HA -0.049 4.291 4.340 -0.000 0.000 0.208 117 L C 2.481 179.354 176.870 0.004 0.000 1.077 117 L CA 2.040 56.890 54.840 0.016 0.000 0.747 117 L CB -1.089 40.980 42.059 0.017 0.000 0.896 117 L HN 0.267 nan 8.230 nan 0.000 0.432 118 A N -0.465 122.362 122.820 0.011 0.000 1.902 118 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 118 A C 2.353 179.941 177.584 0.007 0.000 1.181 118 A CA 1.909 53.951 52.037 0.008 0.000 0.623 118 A CB -0.622 18.386 19.000 0.014 0.000 0.818 118 A HN 0.439 nan 8.150 nan 0.000 0.443 119 K N -0.356 120.054 120.400 0.017 0.000 2.097 119 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 119 K C 1.941 178.539 176.600 -0.002 0.000 1.049 119 K CA 2.215 58.514 56.287 0.020 0.000 0.933 119 K CB -0.922 31.601 32.500 0.037 0.000 0.717 119 K HN 0.377 nan 8.250 nan 0.000 0.442 120 T N 0.700 115.248 114.554 -0.011 0.000 2.684 120 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 120 T C 1.769 176.421 174.700 -0.081 0.000 1.036 120 T CA 1.657 63.731 62.100 -0.044 0.000 1.148 120 T CB -0.173 68.673 68.868 -0.036 0.000 0.863 120 T HN 0.309 nan 8.240 nan 0.000 0.436 121 R N 0.937 121.399 120.500 -0.063 0.000 2.092 121 R HA 0.098 4.438 4.340 -0.000 0.000 0.231 121 R C 2.817 179.078 176.300 -0.064 0.000 1.119 121 R CA 1.101 57.156 56.100 -0.075 0.000 0.970 121 R CB -0.449 29.818 30.300 -0.055 0.000 0.864 121 R HN 0.343 nan 8.270 nan 0.000 0.440 122 A N 1.588 124.385 122.820 -0.038 0.000 1.908 122 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 122 A C 2.194 179.748 177.584 -0.049 0.000 1.181 122 A CA 1.224 53.242 52.037 -0.030 0.000 0.627 122 A CB -0.557 18.444 19.000 0.002 0.000 0.818 122 A HN 0.175 nan 8.150 nan 0.000 0.445 123 L N -0.301 120.890 121.223 -0.054 0.000 2.083 123 L HA -0.189 4.150 4.340 -0.000 0.000 0.209 123 L C 2.355 179.170 176.870 -0.091 0.000 1.083 123 L CA 1.034 55.835 54.840 -0.065 0.000 0.752 123 L CB -0.630 41.394 42.059 -0.059 0.000 0.899 123 L HN 0.404 nan 8.230 nan 0.000 0.433 124 N N 0.067 118.695 118.700 -0.120 0.000 2.120 124 N HA -0.211 4.528 4.740 -0.000 0.000 0.188 124 N C 1.781 177.229 175.510 -0.103 0.000 1.024 124 N CA 1.340 54.303 53.050 -0.145 0.000 0.852 124 N CB -0.038 38.338 38.487 -0.184 0.000 1.003 124 N HN 0.432 nan 8.380 nan 0.000 0.424 125 E N 0.763 120.912 120.200 -0.086 0.000 2.150 125 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 125 E C 1.155 177.714 176.600 -0.069 0.000 0.985 125 E CA 0.622 56.979 56.400 -0.071 0.000 0.814 125 E CB 0.096 29.759 29.700 -0.062 0.000 0.752 125 E HN 0.412 nan 8.360 nan 0.000 0.466 126 E N -1.251 118.907 120.200 -0.071 0.000 2.478 126 E HA -0.044 4.306 4.350 -0.000 0.000 0.198 126 E C 1.005 177.566 176.600 -0.065 0.000 1.046 126 E CA 0.442 56.800 56.400 -0.071 0.000 0.870 126 E CB 0.434 30.092 29.700 -0.070 0.000 0.818 126 E HN 0.390 nan 8.360 nan 0.000 0.527 127 G N 0.846 109.607 108.800 -0.065 0.000 2.367 127 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.181 127 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.181 127 G C 0.346 175.216 174.900 -0.051 0.000 1.000 127 G CA 0.062 45.129 45.100 -0.055 0.000 0.693 127 G HN 0.263 nan 8.290 nan 0.000 0.480 128 I N -1.402 119.130 120.570 -0.063 0.000 3.709 128 I HA 0.910 5.080 4.170 -0.000 0.000 0.274 128 I C -0.011 176.051 176.117 -0.092 0.000 1.240 128 I CA -1.243 60.025 61.300 -0.054 0.000 1.076 128 I CB 1.736 39.709 38.000 -0.045 0.000 1.389 128 I HN -0.051 nan 8.210 nan 0.000 0.529 129 S N 0.755 116.403 115.700 -0.086 0.000 2.473 129 S HA 0.846 5.316 4.470 -0.000 0.000 0.307 129 S C -0.614 173.812 174.600 -0.291 0.000 1.094 129 S CA -0.571 57.486 58.200 -0.239 0.000 1.070 129 S CB 1.548 64.685 63.200 -0.105 0.000 1.019 129 S HN 0.895 nan 8.310 nan 0.000 0.480 130 A N 2.873 125.320 122.820 -0.621 0.000 2.520 130 A HA 0.835 5.154 4.320 -0.000 0.000 0.298 130 A C -1.546 175.667 177.584 -0.619 0.000 1.051 130 A CA -0.779 51.035 52.037 -0.371 0.000 0.690 130 A CB 1.290 20.189 19.000 -0.170 0.000 1.281 130 A HN 0.784 nan 8.150 nan 0.000 0.402 131 W N 0.640 121.946 121.300 0.010 0.000 3.060 131 W HA 0.718 5.378 4.660 0.000 0.000 0.346 131 W C -0.285 176.233 176.519 -0.001 0.000 1.194 131 W CA -0.527 56.821 57.345 0.005 0.000 1.105 131 W CB 2.062 31.525 29.460 0.005 0.000 1.487 131 W HN 0.961 nan 8.180 nan 0.000 0.592 132 M N 0.463 120.216 119.600 0.255 0.000 2.683 132 M HA 0.705 5.184 4.480 -0.000 0.000 0.274 132 M C -2.129 174.221 176.300 0.085 0.000 1.272 132 M CA -0.925 54.449 55.300 0.123 0.000 0.833 132 M CB 2.579 35.221 32.600 0.070 0.000 1.708 132 M HN 0.256 nan 8.290 nan 0.000 0.463 133 L N 0.751 121.992 121.223 0.029 0.000 2.334 133 L HA 0.634 4.974 4.340 -0.000 0.000 0.276 133 L C 0.241 177.113 176.870 0.004 0.000 1.014 133 L CA -0.772 54.071 54.840 0.004 0.000 0.815 133 L CB 1.947 43.987 42.059 -0.031 0.000 1.268 133 L HN 0.889 nan 8.230 nan 0.000 0.428 134 T N 0.661 115.216 114.554 0.003 0.000 2.810 134 T HA 0.651 5.001 4.350 -0.000 0.000 0.277 134 T C 0.335 175.036 174.700 0.002 0.000 0.973 134 T CA 0.788 62.892 62.100 0.008 0.000 0.949 134 T CB 1.115 69.990 68.868 0.011 0.000 1.075 134 T HN 0.989 nan 8.240 nan 0.000 0.537 135 G N 0.289 109.096 108.800 0.012 0.000 2.693 135 G HA2 0.397 4.357 3.960 -0.000 0.000 0.226 135 G HA3 0.397 4.357 3.960 -0.000 0.000 0.226 135 G C -0.170 174.754 174.900 0.039 0.000 1.354 135 G CA -0.282 44.832 45.100 0.022 0.000 0.873 135 G HN 1.762 nan 8.290 nan 0.000 0.562 136 A N -3.467 119.399 122.820 0.078 0.000 2.775 136 A HA 0.712 5.031 4.320 -0.000 0.000 0.305 136 A C 0.620 178.366 177.584 0.271 0.000 1.082 136 A CA 0.609 52.732 52.037 0.143 0.000 0.591 136 A CB -0.620 18.427 19.000 0.078 0.000 1.472 136 A HN 1.481 nan 8.150 nan 0.000 0.636 137 F N 1.277 121.222 119.950 -0.009 0.000 2.126 137 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 137 F C 1.574 177.363 175.800 -0.018 0.000 1.096 137 F CA 1.741 59.721 58.000 -0.034 0.000 1.255 137 F CB -0.787 38.164 39.000 -0.081 0.000 0.997 137 F HN 0.581 nan 8.300 nan 0.000 0.479 138 H N 0.912 120.065 119.070 0.138 0.000 3.034 138 H HA 0.201 4.757 4.556 -0.000 0.000 0.324 138 H C -0.828 174.509 175.328 0.016 0.000 1.015 138 H CA 0.399 56.478 56.048 0.052 0.000 1.429 138 H CB 0.671 30.445 29.762 0.019 0.000 1.429 138 H HN -0.176 nan 8.280 nan 0.000 0.585 139 V N 8.385 128.057 119.914 -0.403 0.000 2.638 139 V HA 0.208 4.328 4.120 -0.000 0.000 0.306 139 V C -2.029 173.852 176.094 -0.355 0.000 1.052 139 V CA -1.646 60.531 62.300 -0.206 0.000 0.885 139 V CB 1.868 33.605 31.823 -0.144 0.000 0.999 139 V HN 0.762 nan 8.190 nan 0.000 0.424 140 P HA 0.149 nan 4.420 nan 0.000 0.268 140 P C -0.171 177.252 177.300 0.204 0.000 1.208 140 P CA 0.049 63.199 63.100 0.083 0.000 0.777 140 P CB 0.335 32.108 31.700 0.121 0.000 0.875 141 S N 1.875 117.643 115.700 0.113 0.000 2.576 141 S HA 0.195 4.665 4.470 -0.000 0.000 0.276 141 S C 0.381 175.031 174.600 0.084 0.000 1.339 141 S CA -0.480 57.780 58.200 0.101 0.000 1.039 141 S CB 0.129 63.353 63.200 0.040 0.000 0.902 141 S HN 0.274 nan 8.310 nan 0.000 0.516 142 R N 1.931 122.467 120.500 0.060 0.000 2.207 142 R HA 0.393 4.733 4.340 -0.000 0.000 0.334 142 R C 0.422 176.736 176.300 0.024 0.000 1.013 142 R CA -0.324 55.786 56.100 0.017 0.000 0.858 142 R CB 0.799 31.082 30.300 -0.028 0.000 1.094 142 R HN 0.782 nan 8.270 nan 0.000 0.457 143 T N -1.468 113.101 114.554 0.026 0.000 2.905 143 T HA 0.437 4.787 4.350 -0.000 0.000 0.283 143 T C 1.282 175.999 174.700 0.029 0.000 1.031 143 T CA -0.900 61.215 62.100 0.026 0.000 1.002 143 T CB 0.997 69.879 68.868 0.023 0.000 1.200 143 T HN 0.339 nan 8.240 nan 0.000 0.560 144 I N 0.728 121.314 120.570 0.027 0.000 2.339 144 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 144 I C 2.666 178.796 176.117 0.021 0.000 1.096 144 I CA 1.305 62.621 61.300 0.027 0.000 1.408 144 I CB -0.228 37.787 38.000 0.025 0.000 1.092 144 I HN 0.922 nan 8.210 nan 0.000 0.423 145 T N -2.471 112.094 114.554 0.019 0.000 3.086 145 T HA 0.344 4.693 4.350 -0.000 0.000 0.250 145 T C 1.450 176.160 174.700 0.018 0.000 1.074 145 T CA 0.437 62.547 62.100 0.016 0.000 0.988 145 T CB 0.672 69.549 68.868 0.015 0.000 0.988 145 T HN 0.524 nan 8.240 nan 0.000 0.530 146 G N 0.528 109.340 108.800 0.020 0.000 2.176 146 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.232 146 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.232 146 G C 0.105 175.020 174.900 0.024 0.000 0.986 146 G CA 0.167 45.280 45.100 0.022 0.000 0.643 146 G HN 1.353 nan 8.290 nan 0.000 0.522 147 S N -1.159 114.553 115.700 0.021 0.000 2.572 147 S HA 0.594 5.064 4.470 -0.000 0.000 0.274 147 S C 1.194 175.802 174.600 0.013 0.000 1.150 147 S CA 0.370 58.581 58.200 0.019 0.000 0.944 147 S CB 1.899 65.109 63.200 0.018 0.000 1.071 147 S HN 0.806 nan 8.310 nan 0.000 0.479 148 V N 4.349 124.268 119.914 0.009 0.000 2.287 148 V HA -0.124 3.996 4.120 -0.000 0.000 0.248 148 V C 2.626 178.719 176.094 -0.001 0.000 1.053 148 V CA 2.512 64.812 62.300 0.000 0.000 1.027 148 V CB -0.857 30.959 31.823 -0.011 0.000 0.646 148 V HN 1.019 nan 8.190 nan 0.000 0.447 149 E N 0.103 120.303 120.200 -0.001 0.000 2.085 149 E HA -0.310 4.040 4.350 -0.000 0.000 0.194 149 E C 2.307 178.909 176.600 0.004 0.000 0.994 149 E CA 1.832 58.232 56.400 -0.001 0.000 0.801 149 E CB -0.096 29.605 29.700 0.002 0.000 0.743 149 E HN 0.568 nan 8.360 nan 0.000 0.453 150 K N 0.080 120.485 120.400 0.008 0.000 2.103 150 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 150 K C 1.633 178.240 176.600 0.011 0.000 1.052 150 K CA 1.610 57.903 56.287 0.010 0.000 0.945 150 K CB 0.072 32.580 32.500 0.012 0.000 0.722 150 K HN 0.044 nan 8.250 nan 0.000 0.443 151 D N 0.227 120.634 120.400 0.012 0.000 2.104 151 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 151 D C 1.846 178.155 176.300 0.016 0.000 0.994 151 D CA 1.274 55.283 54.000 0.015 0.000 0.830 151 D CB -0.138 40.671 40.800 0.015 0.000 0.959 151 D HN 0.012 nan 8.370 nan 0.000 0.452 152 V N 0.901 120.821 119.914 0.009 0.000 2.343 152 V HA -0.203 3.917 4.120 -0.000 0.000 0.247 152 V C 2.408 178.509 176.094 0.011 0.000 1.051 152 V CA 1.780 64.085 62.300 0.008 0.000 1.036 152 V CB -0.829 30.991 31.823 -0.005 0.000 0.654 152 V HN 0.200 nan 8.190 nan 0.000 0.451 153 A N 0.422 123.247 122.820 0.009 0.000 1.929 153 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 153 A C 2.175 179.768 177.584 0.015 0.000 1.176 153 A CA 1.925 53.968 52.037 0.010 0.000 0.628 153 A CB -0.390 18.614 19.000 0.007 0.000 0.816 153 A HN 0.707 nan 8.150 nan 0.000 0.444 154 I N -3.681 116.899 120.570 0.016 0.000 3.526 154 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 154 I C -0.311 175.819 176.117 0.021 0.000 1.229 154 I CA -0.143 61.168 61.300 0.017 0.000 1.408 154 I CB 0.210 38.218 38.000 0.014 0.000 1.127 154 I HN -0.101 nan 8.210 nan 0.000 0.439 155 I N 4.630 125.215 120.570 0.025 0.000 2.322 155 I HA 0.036 4.206 4.170 -0.000 0.000 0.292 155 I C 1.177 177.319 176.117 0.042 0.000 1.060 155 I CA -0.029 61.288 61.300 0.028 0.000 1.309 155 I CB 0.397 38.414 38.000 0.028 0.000 1.415 155 I HN 0.382 nan 8.210 nan 0.000 0.492 156 D N 7.264 127.687 120.400 0.038 0.000 2.133 156 D HA -0.276 4.364 4.640 -0.000 0.000 0.192 156 D C 1.279 177.637 176.300 0.096 0.000 1.001 156 D CA 1.640 55.673 54.000 0.055 0.000 0.844 156 D CB 0.042 40.862 40.800 0.034 0.000 0.944 156 D HN 0.334 nan 8.370 nan 0.000 0.447 157 R N 0.193 120.736 120.500 0.073 0.000 2.276 157 R HA 0.207 4.547 4.340 -0.000 0.000 0.203 157 R C 0.222 176.644 176.300 0.204 0.000 1.017 157 R CA -0.211 55.959 56.100 0.116 0.000 1.010 157 R CB -0.705 29.596 30.300 0.002 0.000 0.900 157 R HN 0.206 nan 8.270 nan 0.000 0.469 158 V N 3.125 123.116 119.914 0.128 0.000 2.530 158 V HA 0.106 4.226 4.120 -0.000 0.000 0.282 158 V C 1.624 177.774 176.094 0.093 0.000 1.048 158 V CA -0.069 62.293 62.300 0.103 0.000 0.997 158 V CB 1.200 33.056 31.823 0.056 0.000 0.987 158 V HN 0.207 nan 8.190 nan 0.000 0.477 159 I N 1.408 122.020 120.570 0.068 0.000 4.227 159 I HA 0.720 4.890 4.170 -0.000 0.000 0.334 159 I C 0.672 176.768 176.117 -0.035 0.000 1.341 159 I CA 0.273 61.572 61.300 -0.003 0.000 1.123 159 I CB 0.624 38.577 38.000 -0.078 0.000 1.097 159 I HN 0.668 nan 8.210 nan 0.000 0.399 160 G N 0.595 109.384 108.800 -0.019 0.000 2.348 160 G HA2 0.443 4.402 3.960 -0.000 0.000 0.296 160 G HA3 0.443 4.402 3.960 -0.000 0.000 0.296 160 G C -1.925 172.954 174.900 -0.035 0.000 1.258 160 G CA 0.082 45.159 45.100 -0.037 0.000 0.868 160 G HN -0.022 nan 8.290 nan 0.000 0.488 164 A N 1.152 123.827 122.820 -0.242 0.000 2.371 164 A HA 0.961 5.280 4.320 -0.000 0.000 0.311 164 A C -0.635 176.871 177.584 -0.130 0.000 1.068 164 A CA -0.267 51.539 52.037 -0.384 0.000 0.744 164 A CB 0.862 19.256 19.000 -1.009 0.000 1.239 164 A HN 2.154 nan 8.150 nan 0.000 0.435 165 I N -1.810 118.744 120.570 -0.027 0.000 3.074 165 I HA 0.705 4.875 4.170 -0.000 0.000 0.310 165 I C 0.125 176.234 176.117 -0.013 0.000 1.153 165 I CA -0.856 60.445 61.300 0.002 0.000 0.993 165 I CB 2.011 40.043 38.000 0.053 0.000 1.237 165 I HN 0.640 nan 8.210 nan 0.000 0.443 166 S N 1.239 116.930 115.700 -0.016 0.000 3.559 166 S HA -0.192 4.278 4.470 -0.000 0.000 0.369 166 S C -0.432 174.170 174.600 0.004 0.000 0.987 166 S CA 1.344 59.536 58.200 -0.013 0.000 1.187 166 S CB -1.622 61.554 63.200 -0.039 0.000 0.914 166 S HN 0.965 nan 8.310 nan 0.000 0.480 167 D N -0.628 119.773 120.400 0.003 0.000 2.859 167 D HA 0.165 4.805 4.640 -0.000 0.000 0.223 167 D C 0.940 177.214 176.300 -0.044 0.000 1.218 167 D CA -0.589 53.401 54.000 -0.017 0.000 0.850 167 D CB 0.851 41.658 40.800 0.012 0.000 1.656 167 D HN 0.364 nan 8.370 nan 0.000 0.484 168 H N 2.128 121.243 119.070 0.075 0.000 2.561 168 H HA 0.084 4.640 4.556 -0.000 0.000 0.278 168 H C 0.383 175.753 175.328 0.070 0.000 1.014 168 H CA 0.432 56.515 56.048 0.059 0.000 1.211 168 H CB 0.347 30.139 29.762 0.049 0.000 1.365 168 H HN 0.183 nan 8.280 nan 0.000 0.594 169 R N 1.601 121.968 120.500 -0.220 0.000 2.427 169 R HA 0.109 4.448 4.340 -0.000 0.000 0.262 169 R C 0.608 176.954 176.300 0.076 0.000 0.943 169 R CA 0.208 56.306 56.100 -0.005 0.000 1.081 169 R CB 0.664 30.969 30.300 0.008 0.000 1.166 169 R HN 0.321 nan 8.270 nan 0.000 0.534 170 S N -0.396 115.308 115.700 0.007 0.000 2.661 170 S HA 0.343 4.812 4.470 -0.000 0.000 0.265 170 S C 1.003 175.596 174.600 -0.012 0.000 1.225 170 S CA -0.396 57.796 58.200 -0.014 0.000 0.986 170 S CB 1.548 64.715 63.200 -0.054 0.000 1.008 170 S HN 0.150 nan 8.310 nan 0.000 0.565 171 A N -0.330 122.439 122.820 -0.085 0.000 2.415 171 A HA 0.660 4.980 4.320 -0.000 0.000 0.248 171 A C 1.221 178.726 177.584 -0.131 0.000 1.299 171 A CA 0.196 52.132 52.037 -0.169 0.000 0.899 171 A CB -1.619 17.081 19.000 -0.499 0.000 0.997 171 A HN 2.266 nan 8.150 nan 0.000 0.506 172 A N 0.137 122.916 122.820 -0.068 0.000 2.739 172 A HA -0.090 4.230 4.320 -0.000 0.000 0.296 172 A C -1.489 176.064 177.584 -0.051 0.000 1.488 172 A CA 0.438 52.451 52.037 -0.040 0.000 0.746 172 A CB -2.251 16.737 19.000 -0.021 0.000 1.047 172 A HN 0.528 nan 8.150 nan 0.000 0.477 173 P HA 0.409 nan 4.420 nan 0.000 0.271 173 P C -0.135 177.187 177.300 0.036 0.000 1.216 173 P CA 0.225 63.301 63.100 -0.040 0.000 0.776 173 P CB 0.604 32.291 31.700 -0.021 0.000 0.881 174 D N 0.790 121.255 120.400 0.108 0.000 2.388 174 D HA 0.005 4.645 4.640 -0.000 0.000 0.254 174 D C 1.192 177.583 176.300 0.151 0.000 1.111 174 D CA -0.883 53.204 54.000 0.146 0.000 0.993 174 D CB 0.391 41.307 40.800 0.193 0.000 1.118 174 D HN 0.076 nan 8.370 nan 0.000 0.502 175 V N 0.647 120.636 119.914 0.126 0.000 2.282 175 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 175 V C 1.984 178.140 176.094 0.104 0.000 1.057 175 V CA 1.946 64.310 62.300 0.106 0.000 1.032 175 V CB -1.005 30.873 31.823 0.092 0.000 0.645 175 V HN 0.637 nan 8.190 nan 0.000 0.447 176 Y N 0.936 121.248 120.300 0.021 0.000 2.165 176 Y HA -0.283 4.267 4.550 -0.000 0.000 0.286 176 Y C 2.338 178.167 175.900 -0.119 0.000 1.155 176 Y CA 2.431 60.492 58.100 -0.065 0.000 1.164 176 Y CB -0.698 37.681 38.460 -0.135 0.000 0.978 176 Y HN 0.582 nan 8.280 nan 0.000 0.513 177 H N -0.570 118.384 119.070 -0.193 0.000 2.357 177 H HA -0.117 4.439 4.556 -0.000 0.000 0.301 177 H C 2.329 177.525 175.328 -0.220 0.000 1.082 177 H CA 2.022 57.909 56.048 -0.268 0.000 1.342 177 H CB -0.286 29.430 29.762 -0.076 0.000 1.389 177 H HN 0.315 nan 8.280 nan 0.000 0.511 178 L N -0.279 120.946 121.223 0.003 0.000 2.017 178 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 178 L C 2.728 179.580 176.870 -0.031 0.000 1.073 178 L CA 0.984 55.833 54.840 0.015 0.000 0.745 178 L CB -0.548 41.568 42.059 0.095 0.000 0.894 178 L HN 0.366 nan 8.230 nan 0.000 0.432 179 A N 0.481 123.261 122.820 -0.067 0.000 1.877 179 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 179 A C 2.012 179.517 177.584 -0.132 0.000 1.186 179 A CA 2.289 54.291 52.037 -0.058 0.000 0.620 179 A CB -0.879 18.115 19.000 -0.011 0.000 0.822 179 A HN 0.532 nan 8.150 nan 0.000 0.443 180 N N -0.620 117.882 118.700 -0.331 0.000 2.166 180 N HA -0.184 4.556 4.740 -0.000 0.000 0.186 180 N C 1.781 177.192 175.510 -0.166 0.000 1.019 180 N CA 2.062 54.924 53.050 -0.314 0.000 0.856 180 N CB -0.343 37.746 38.487 -0.663 0.000 0.993 180 N HN 0.554 nan 8.380 nan 0.000 0.426 181 M N -0.340 119.170 119.600 -0.149 0.000 2.099 181 M HA -0.066 4.414 4.480 -0.000 0.000 0.262 181 M C 1.973 178.230 176.300 -0.070 0.000 1.067 181 M CA 1.731 56.977 55.300 -0.090 0.000 1.124 181 M CB -0.237 32.314 32.600 -0.082 0.000 1.353 181 M HN 0.274 nan 8.290 nan 0.000 0.410 182 A N 0.432 123.219 122.820 -0.055 0.000 1.908 182 A HA -0.084 4.235 4.320 -0.000 0.000 0.218 182 A C 2.305 179.883 177.584 -0.011 0.000 1.181 182 A CA 2.044 54.069 52.037 -0.020 0.000 0.627 182 A CB -1.199 17.832 19.000 0.052 0.000 0.818 182 A HN 0.687 nan 8.150 nan 0.000 0.445 183 A N -0.594 122.216 122.820 -0.017 0.000 1.930 183 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 183 A C 1.954 179.530 177.584 -0.014 0.000 1.175 183 A CA 1.513 53.545 52.037 -0.008 0.000 0.627 183 A CB -0.434 18.562 19.000 -0.007 0.000 0.815 183 A HN 0.624 nan 8.150 nan 0.000 0.443 184 E N -0.607 119.578 120.200 -0.025 0.000 2.072 184 E HA -0.132 4.217 4.350 -0.000 0.000 0.191 184 E C 2.283 178.871 176.600 -0.019 0.000 0.985 184 E CA 1.151 57.540 56.400 -0.019 0.000 0.801 184 E CB -0.156 29.530 29.700 -0.024 0.000 0.750 184 E HN 0.597 nan 8.360 nan 0.000 0.452 185 S N 0.623 116.306 115.700 -0.027 0.000 2.368 185 S HA -0.165 4.304 4.470 -0.000 0.000 0.225 185 S C 2.046 176.631 174.600 -0.026 0.000 1.030 185 S CA 0.908 59.091 58.200 -0.030 0.000 0.999 185 S CB -0.049 63.125 63.200 -0.044 0.000 0.844 185 S HN 0.093 nan 8.310 nan 0.000 0.459 186 R N 0.994 121.482 120.500 -0.019 0.000 2.080 186 R HA -0.071 4.269 4.340 -0.000 0.000 0.236 186 R C 2.197 178.487 176.300 -0.016 0.000 1.137 186 R CA 2.066 58.156 56.100 -0.016 0.000 0.943 186 R CB -1.317 28.982 30.300 -0.003 0.000 0.846 186 R HN 0.431 nan 8.270 nan 0.000 0.431 187 V N 0.365 120.273 119.914 -0.010 0.000 2.287 187 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 187 V C 2.520 178.609 176.094 -0.008 0.000 1.053 187 V CA 2.071 64.367 62.300 -0.007 0.000 1.027 187 V CB -1.206 30.616 31.823 -0.001 0.000 0.646 187 V HN 0.610 nan 8.190 nan 0.000 0.447 188 G N 0.002 108.796 108.800 -0.009 0.000 2.440 188 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.218 188 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.218 188 G C 1.626 176.519 174.900 -0.011 0.000 1.154 188 G CA 1.018 46.114 45.100 -0.007 0.000 0.767 188 G HN 0.599 nan 8.290 nan 0.000 0.552 189 G N 0.867 109.654 108.800 -0.021 0.000 2.418 189 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.217 189 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.217 189 G C 1.810 176.693 174.900 -0.028 0.000 1.158 189 G CA 0.809 45.890 45.100 -0.032 0.000 0.771 189 G HN 0.434 nan 8.290 nan 0.000 0.545 190 L N -0.120 121.090 121.223 -0.023 0.000 2.017 190 L HA -0.018 4.322 4.340 -0.000 0.000 0.208 190 L C 2.905 179.769 176.870 -0.011 0.000 1.073 190 L CA 0.720 55.549 54.840 -0.018 0.000 0.745 190 L CB -0.454 41.596 42.059 -0.014 0.000 0.894 190 L HN 0.184 nan 8.230 nan 0.000 0.432 191 L N -0.601 120.618 121.223 -0.007 0.000 2.141 191 L HA -0.061 4.278 4.340 -0.000 0.000 0.209 191 L C 2.366 179.236 176.870 0.001 0.000 1.094 191 L CA 1.187 56.026 54.840 -0.002 0.000 0.763 191 L CB -0.851 41.209 42.059 0.001 0.000 0.908 191 L HN 0.310 nan 8.230 nan 0.000 0.437 192 G N -1.302 107.498 108.800 0.000 0.000 3.042 192 G HA2 0.265 4.225 3.960 -0.000 0.000 0.212 192 G HA3 0.265 4.225 3.960 -0.000 0.000 0.212 192 G C 1.132 176.036 174.900 0.006 0.000 1.166 192 G CA 0.403 45.507 45.100 0.007 0.000 0.767 192 G HN 0.468 nan 8.290 nan 0.000 0.546 193 G N 0.370 109.166 108.800 -0.005 0.000 2.225 193 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.264 193 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.264 193 G C 0.114 175.000 174.900 -0.023 0.000 1.060 193 G CA 0.186 45.279 45.100 -0.011 0.000 0.833 193 G HN 0.466 nan 8.290 nan 0.000 0.498 194 K N -0.685 119.693 120.400 -0.036 0.000 2.281 194 K HA 0.533 4.853 4.320 -0.000 0.000 0.242 194 K C -1.525 175.015 176.600 -0.100 0.000 0.971 194 K CA -1.914 54.336 56.287 -0.063 0.000 0.834 194 K CB 2.058 34.533 32.500 -0.042 0.000 1.181 194 K HN -0.049 nan 8.250 nan 0.000 0.435 195 P HA -0.136 nan 4.420 nan 0.000 0.218 195 P C 0.588 177.793 177.300 -0.159 0.000 1.148 195 P CA 1.391 64.371 63.100 -0.201 0.000 0.822 195 P CB 0.116 31.629 31.700 -0.311 0.000 0.784 196 G N 0.106 108.836 108.800 -0.117 0.000 2.272 196 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.280 196 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.280 196 G C 0.177 175.033 174.900 -0.074 0.000 1.067 196 G CA 0.145 45.198 45.100 -0.078 0.000 0.902 196 G HN 0.574 nan 8.290 nan 0.000 0.500 197 V N -2.799 117.061 119.914 -0.090 0.000 3.036 197 V HA 0.915 5.035 4.120 -0.000 0.000 0.308 197 V C 0.480 176.562 176.094 -0.021 0.000 1.070 197 V CA -0.024 62.251 62.300 -0.042 0.000 1.056 197 V CB 1.798 33.589 31.823 -0.054 0.000 1.084 197 V HN 0.466 nan 8.190 nan 0.000 0.471 198 T N 2.442 117.004 114.554 0.012 0.000 2.812 198 T HA 0.614 4.964 4.350 -0.000 0.000 0.282 198 T C -0.536 174.065 174.700 -0.165 0.000 0.990 198 T CA -0.322 61.684 62.100 -0.157 0.000 0.960 198 T CB 1.340 70.043 68.868 -0.275 0.000 0.948 198 T HN 0.707 nan 8.240 nan 0.000 0.438 199 V N 4.302 124.063 119.914 -0.255 0.000 2.417 199 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 199 V C -0.962 174.974 176.094 -0.264 0.000 1.024 199 V CA -0.853 61.383 62.300 -0.106 0.000 0.861 199 V CB 0.831 32.639 31.823 -0.023 0.000 0.985 199 V HN 0.788 nan 8.190 nan 0.000 0.436 200 F N 3.350 123.251 119.950 -0.082 0.000 2.332 200 F HA 0.389 4.916 4.527 -0.000 0.000 0.368 200 F C 0.468 176.179 175.800 -0.149 0.000 1.110 200 F CA -0.785 57.143 58.000 -0.120 0.000 1.087 200 F CB 0.472 39.369 39.000 -0.173 0.000 1.235 200 F HN 0.649 nan 8.300 nan 0.000 0.470 201 H N 4.177 123.196 119.070 -0.085 0.000 2.929 201 H HA 0.293 4.849 4.556 -0.000 0.000 0.317 201 H C -0.541 174.736 175.328 -0.085 0.000 1.031 201 H CA -0.387 55.592 56.048 -0.115 0.000 1.466 201 H CB 0.581 30.185 29.762 -0.263 0.000 1.482 201 H HN 0.376 nan 8.280 nan 0.000 0.561 202 M N 4.898 124.220 119.600 -0.465 0.000 2.300 202 M HA 0.314 4.794 4.480 -0.000 0.000 0.348 202 M C 0.789 176.852 176.300 -0.395 0.000 1.151 202 M CA -0.330 54.790 55.300 -0.299 0.000 1.046 202 M CB 1.465 33.947 32.600 -0.196 0.000 1.647 202 M HN 0.887 nan 8.290 nan 0.000 0.451 203 G N 1.109 109.825 108.800 -0.140 0.000 2.828 203 G HA2 0.385 4.344 3.960 -0.000 0.000 0.244 203 G HA3 0.385 4.344 3.960 -0.000 0.000 0.244 203 G C -0.127 174.767 174.900 -0.011 0.000 1.365 203 G CA -0.375 44.713 45.100 -0.021 0.000 1.041 203 G HN 0.653 nan 8.290 nan 0.000 0.560 204 D N -0.090 120.332 120.400 0.038 0.000 2.325 204 D HA 0.092 4.732 4.640 -0.000 0.000 0.225 204 D C 1.240 177.562 176.300 0.037 0.000 1.096 204 D CA 0.159 54.181 54.000 0.036 0.000 0.844 204 D CB 0.442 41.274 40.800 0.053 0.000 0.925 204 D HN 0.209 nan 8.370 nan 0.000 0.513 205 S N 0.504 116.225 115.700 0.035 0.000 2.560 205 S HA -0.020 4.450 4.470 -0.000 0.000 0.284 205 S C 1.318 175.928 174.600 0.015 0.000 1.327 205 S CA -0.179 58.039 58.200 0.031 0.000 1.055 205 S CB 1.143 64.358 63.200 0.025 0.000 0.868 205 S HN -0.082 nan 8.310 nan 0.000 0.506 206 K N 3.084 123.495 120.400 0.019 0.000 2.360 206 K HA -0.027 4.293 4.320 -0.000 0.000 0.201 206 K C 1.854 178.460 176.600 0.010 0.000 1.046 206 K CA 1.182 57.478 56.287 0.015 0.000 0.945 206 K CB 0.003 32.513 32.500 0.017 0.000 0.750 206 K HN 0.582 nan 8.250 nan 0.000 0.464 207 K N 0.380 120.784 120.400 0.007 0.000 2.280 207 K HA -0.054 4.265 4.320 -0.000 0.000 0.202 207 K C 1.260 177.853 176.600 -0.011 0.000 1.047 207 K CA 0.553 56.842 56.287 0.004 0.000 0.942 207 K CB -0.255 32.247 32.500 0.004 0.000 0.739 207 K HN 0.218 nan 8.250 nan 0.000 0.457 208 A N 1.462 124.268 122.820 -0.024 0.000 5.324 208 A HA -0.316 4.003 4.320 -0.000 0.000 0.337 208 A C 1.195 178.713 177.584 -0.110 0.000 1.730 208 A CA 1.778 53.783 52.037 -0.052 0.000 0.711 208 A CB -1.477 17.507 19.000 -0.027 0.000 1.434 208 A HN 0.271 nan 8.150 nan 0.000 0.400 209 L N -0.096 121.046 121.223 -0.134 0.000 2.610 209 L HA -0.079 4.261 4.340 -0.000 0.000 0.232 209 L C 2.411 179.136 176.870 -0.241 0.000 1.149 209 L CA 1.139 55.803 54.840 -0.293 0.000 0.872 209 L CB -0.441 41.355 42.059 -0.439 0.000 0.992 209 L HN 0.773 nan 8.230 nan 0.000 0.447 210 Q N 1.393 121.172 119.800 -0.035 0.000 2.082 210 Q HA -0.203 4.137 4.340 -0.000 0.000 0.211 210 Q C -0.601 175.394 176.000 -0.009 0.000 1.002 210 Q CA 2.378 58.219 55.803 0.063 0.000 0.868 210 Q CB -1.317 27.455 28.738 0.056 0.000 0.931 210 Q HN 0.256 nan 8.270 nan 0.000 0.414 211 P HA -0.136 nan 4.420 nan 0.000 0.217 211 P C 0.994 178.203 177.300 -0.151 0.000 1.148 211 P CA 1.275 64.327 63.100 -0.080 0.000 0.828 211 P CB -0.130 31.528 31.700 -0.070 0.000 0.783 212 I N -2.768 117.591 120.570 -0.352 0.000 2.286 212 I HA -0.233 3.936 4.170 -0.000 0.000 0.245 212 I C 2.196 178.159 176.117 -0.258 0.000 1.104 212 I CA 1.323 62.331 61.300 -0.486 0.000 1.397 212 I CB -0.602 36.863 38.000 -0.891 0.000 1.072 212 I HN -0.093 nan 8.210 nan 0.000 0.417 213 Y N 1.213 121.464 120.300 -0.082 0.000 2.200 213 Y HA -0.244 4.305 4.550 -0.000 0.000 0.290 213 Y C 2.368 178.263 175.900 -0.008 0.000 1.137 213 Y CA 0.998 59.088 58.100 -0.015 0.000 1.163 213 Y CB -0.775 37.677 38.460 -0.013 0.000 0.988 213 Y HN 0.198 nan 8.280 nan 0.000 0.518 214 D N -0.139 120.343 120.400 0.136 0.000 2.144 214 D HA -0.177 4.463 4.640 -0.000 0.000 0.199 214 D C 2.358 178.701 176.300 0.072 0.000 0.984 214 D CA 0.940 54.993 54.000 0.089 0.000 0.834 214 D CB -0.547 40.291 40.800 0.062 0.000 0.955 214 D HN 0.334 nan 8.370 nan 0.000 0.465 215 L N 0.227 121.478 121.223 0.048 0.000 2.056 215 L HA -0.116 4.223 4.340 -0.000 0.000 0.207 215 L C 2.195 179.106 176.870 0.069 0.000 1.078 215 L CA 0.917 55.790 54.840 0.054 0.000 0.749 215 L CB -0.123 41.962 42.059 0.044 0.000 0.901 215 L HN -0.005 nan 8.230 nan 0.000 0.433 216 L N -0.265 121.007 121.223 0.080 0.000 2.191 216 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 216 L C 2.188 179.109 176.870 0.085 0.000 1.103 216 L CA 1.154 56.052 54.840 0.096 0.000 0.769 216 L CB -0.351 41.791 42.059 0.137 0.000 0.908 216 L HN 0.342 nan 8.230 nan 0.000 0.438 217 E N -0.629 119.622 120.200 0.085 0.000 2.435 217 E HA -0.039 4.311 4.350 -0.000 0.000 0.195 217 E C 1.056 177.691 176.600 0.058 0.000 1.029 217 E CA 0.160 56.599 56.400 0.065 0.000 0.865 217 E CB 0.165 29.901 29.700 0.060 0.000 0.833 217 E HN 0.410 nan 8.360 nan 0.000 0.510 218 N N 0.138 118.877 118.700 0.065 0.000 2.187 218 N HA 0.088 4.828 4.740 -0.000 0.000 0.212 218 N C -0.213 175.337 175.510 0.067 0.000 1.152 218 N CA 0.237 53.327 53.050 0.067 0.000 0.872 218 N CB 0.807 39.341 38.487 0.078 0.000 1.025 218 N HN 0.182 nan 8.380 nan 0.000 0.514 219 C N -2.204 117.132 119.300 0.060 0.000 3.314 219 C HA 0.457 4.916 4.460 -0.000 0.000 0.344 219 C C -0.632 174.387 174.990 0.049 0.000 1.461 219 C CA -0.756 58.295 59.018 0.054 0.000 1.249 219 C CB 1.501 29.272 27.740 0.052 0.000 1.632 219 C HN 0.067 nan 8.230 nan 0.000 0.452 220 D N 0.816 121.241 120.400 0.042 0.000 2.538 220 D HA 0.225 4.865 4.640 -0.000 0.000 0.231 220 D C 0.163 176.485 176.300 0.037 0.000 1.229 220 D CA 0.288 54.310 54.000 0.037 0.000 0.828 220 D CB 1.234 42.051 40.800 0.029 0.000 1.035 220 D HN 0.435 nan 8.370 nan 0.000 0.495 221 V N 2.912 122.853 119.914 0.046 0.000 2.637 221 V HA 0.104 4.223 4.120 -0.000 0.000 0.296 221 V C -1.860 174.268 176.094 0.056 0.000 1.046 221 V CA -1.024 61.305 62.300 0.049 0.000 1.066 221 V CB 0.728 32.588 31.823 0.063 0.000 0.968 221 V HN -0.012 nan 8.190 nan 0.000 0.483 222 P HA 0.188 nan 4.420 nan 0.000 0.271 222 P C 1.039 178.383 177.300 0.073 0.000 1.216 222 P CA -0.107 63.020 63.100 0.045 0.000 0.776 222 P CB 0.679 32.395 31.700 0.027 0.000 0.881 223 I N 2.240 122.846 120.570 0.061 0.000 2.315 223 I HA -0.291 3.879 4.170 -0.000 0.000 0.251 223 I C 1.653 177.844 176.117 0.123 0.000 1.125 223 I CA 1.879 63.224 61.300 0.076 0.000 1.392 223 I CB -0.042 37.935 38.000 -0.039 0.000 1.065 223 I HN 0.357 nan 8.210 nan 0.000 0.424 224 S N -0.236 115.523 115.700 0.097 0.000 2.603 224 S HA -0.017 4.453 4.470 -0.000 0.000 0.229 224 S C 1.453 176.183 174.600 0.217 0.000 0.972 224 S CA 0.267 58.563 58.200 0.161 0.000 0.935 224 S CB -0.166 63.085 63.200 0.085 0.000 0.769 224 S HN 0.364 nan 8.310 nan 0.000 0.536 225 K N 0.646 121.157 120.400 0.186 0.000 2.374 225 K HA 0.403 4.723 4.320 -0.000 0.000 0.202 225 K C -0.191 176.581 176.600 0.286 0.000 1.040 225 K CA 0.044 56.419 56.287 0.146 0.000 1.085 225 K CB 0.404 32.942 32.500 0.064 0.000 0.873 225 K HN 0.441 nan 8.250 nan 0.000 0.539 226 L N 1.829 123.276 121.223 0.373 0.000 2.280 226 L HA 0.424 4.763 4.340 -0.000 0.000 0.287 226 L C -0.606 176.504 176.870 0.399 0.000 1.023 226 L CA -0.912 54.194 54.840 0.443 0.000 0.819 226 L CB 1.169 43.437 42.059 0.349 0.000 1.212 226 L HN -0.164 nan 8.230 nan 0.000 0.420 227 L N 7.083 128.544 121.223 0.397 0.000 2.345 227 L HA 0.603 4.942 4.340 -0.000 0.000 0.274 227 L C -2.461 174.482 176.870 0.122 0.000 0.999 227 L CA -1.437 53.507 54.840 0.173 0.000 0.849 227 L CB 1.581 43.705 42.059 0.109 0.000 1.220 227 L HN 0.237 nan 8.230 nan 0.000 0.422 228 P HA 0.262 nan 4.420 nan 0.000 0.286 228 P C -0.824 176.369 177.300 -0.178 0.000 1.269 228 P CA -0.182 62.790 63.100 -0.214 0.000 0.787 228 P CB 1.482 32.894 31.700 -0.481 0.000 0.920 229 T N 1.661 116.088 114.554 -0.212 0.000 2.940 229 T HA 0.395 4.745 4.350 -0.000 0.000 0.288 229 T C 0.025 174.470 174.700 -0.424 0.000 1.045 229 T CA -0.123 61.781 62.100 -0.326 0.000 1.018 229 T CB 0.154 68.789 68.868 -0.389 0.000 1.151 229 T HN 0.516 nan 8.240 nan 0.000 0.529 230 H N -0.381 118.617 119.070 -0.122 0.000 2.992 230 H HA -0.140 4.416 4.556 -0.001 0.000 0.266 230 H C 1.471 176.745 175.328 -0.091 0.000 1.200 230 H CA 0.908 56.872 56.048 -0.140 0.000 1.135 230 H CB -2.487 27.138 29.762 -0.229 0.000 1.282 230 H HN 0.498 nan 8.280 nan 0.000 0.351 231 V N -0.259 119.673 119.914 0.031 0.000 2.828 231 V HA -0.245 3.875 4.120 -0.000 0.000 0.260 231 V C 1.904 178.128 176.094 0.218 0.000 1.101 231 V CA 2.131 64.477 62.300 0.077 0.000 1.123 231 V CB -0.209 31.638 31.823 0.040 0.000 0.704 231 V HN 0.554 nan 8.190 nan 0.000 0.493 232 N N 2.110 120.897 118.700 0.146 0.000 2.383 232 N HA -0.084 4.655 4.740 -0.000 0.000 0.192 232 N C 1.697 177.185 175.510 -0.036 0.000 1.141 232 N CA 0.799 53.855 53.050 0.011 0.000 0.851 232 N CB -0.641 37.752 38.487 -0.156 0.000 0.976 232 N HN 0.804 nan 8.380 nan 0.000 0.465 233 R N 0.670 121.173 120.500 0.004 0.000 2.189 233 R HA -0.056 4.283 4.340 -0.000 0.000 0.223 233 R C -0.397 175.894 176.300 -0.014 0.000 1.092 233 R CA 0.985 57.071 56.100 -0.023 0.000 0.989 233 R CB -0.509 29.770 30.300 -0.034 0.000 0.876 233 R HN 0.432 nan 8.270 nan 0.000 0.457 234 N N -2.599 116.109 118.700 0.012 0.000 2.598 234 N HA 0.117 4.857 4.740 -0.000 0.000 0.263 234 N C 0.104 175.649 175.510 0.058 0.000 1.254 234 N CA -0.716 52.345 53.050 0.018 0.000 0.863 234 N CB 1.636 40.133 38.487 0.016 0.000 1.586 234 N HN -0.232 nan 8.380 nan 0.000 0.491 235 V N 0.244 120.188 119.914 0.050 0.000 2.255 235 V HA -0.069 4.051 4.120 -0.000 0.000 0.247 235 V C -0.990 175.176 176.094 0.120 0.000 1.051 235 V CA 1.928 64.281 62.300 0.088 0.000 1.018 235 V CB -1.424 30.430 31.823 0.052 0.000 0.641 235 V HN 0.722 nan 8.190 nan 0.000 0.445 236 P HA -0.128 nan 4.420 nan 0.000 0.217 236 P C 1.891 179.223 177.300 0.053 0.000 1.150 236 P CA 1.138 64.272 63.100 0.057 0.000 0.832 236 P CB -0.064 31.657 31.700 0.036 0.000 0.787 237 L N -1.358 119.899 121.223 0.056 0.000 2.027 237 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 237 L C 2.288 179.191 176.870 0.055 0.000 1.074 237 L CA 1.714 56.573 54.840 0.032 0.000 0.745 237 L CB -1.512 40.559 42.059 0.019 0.000 0.898 237 L HN -0.172 nan 8.230 nan 0.000 0.433 238 F N 0.727 120.660 119.950 -0.028 0.000 2.126 238 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 238 F C 2.347 178.145 175.800 -0.004 0.000 1.096 238 F CA 2.089 60.075 58.000 -0.023 0.000 1.255 238 F CB -0.213 38.773 39.000 -0.023 0.000 0.997 238 F HN 0.247 nan 8.300 nan 0.000 0.479 239 E N -0.526 119.695 120.200 0.035 0.000 2.110 239 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 239 E C 2.223 178.770 176.600 -0.088 0.000 0.988 239 E CA 1.276 57.648 56.400 -0.047 0.000 0.804 239 E CB -0.225 29.502 29.700 0.044 0.000 0.745 239 E HN 0.581 nan 8.360 nan 0.000 0.458 240 Q N -0.126 119.649 119.800 -0.042 0.000 2.119 240 Q HA -0.113 4.227 4.340 -0.000 0.000 0.201 240 Q C 2.212 178.200 176.000 -0.019 0.000 0.972 240 Q CA 1.002 56.806 55.803 0.003 0.000 0.847 240 Q CB -0.058 28.695 28.738 0.024 0.000 0.903 240 Q HN 0.231 nan 8.270 nan 0.000 0.433 241 A N 0.973 123.711 122.820 -0.136 0.000 1.908 241 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 241 A C 2.029 179.527 177.584 -0.144 0.000 1.181 241 A CA 1.118 53.057 52.037 -0.164 0.000 0.627 241 A CB -0.722 18.122 19.000 -0.261 0.000 0.818 241 A HN 0.311 nan 8.150 nan 0.000 0.445 242 L N -1.039 120.000 121.223 -0.306 0.000 2.042 242 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 242 L C 2.607 179.429 176.870 -0.080 0.000 1.076 242 L CA 1.861 56.560 54.840 -0.235 0.000 0.749 242 L CB -0.661 41.235 42.059 -0.271 0.000 0.893 242 L HN 0.484 nan 8.230 nan 0.000 0.432 243 E N -0.356 119.831 120.200 -0.022 0.000 2.072 243 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 243 E C 1.990 178.642 176.600 0.086 0.000 0.985 243 E CA 1.140 57.558 56.400 0.030 0.000 0.801 243 E CB -0.125 29.605 29.700 0.049 0.000 0.750 243 E HN 0.349 nan 8.360 nan 0.000 0.452 244 F N 1.294 121.252 119.950 0.014 0.000 2.126 244 F HA -0.239 4.288 4.527 -0.001 0.000 0.299 244 F C 2.038 177.818 175.800 -0.033 0.000 1.096 244 F CA 1.561 59.574 58.000 0.021 0.000 1.255 244 F CB -0.285 38.657 39.000 -0.097 0.000 0.997 244 F HN -0.028 nan 8.300 nan 0.000 0.479 245 A N 0.630 123.407 122.820 -0.073 0.000 1.898 245 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 245 A C 2.343 179.826 177.584 -0.168 0.000 1.181 245 A CA 1.404 53.346 52.037 -0.158 0.000 0.620 245 A CB -0.710 18.251 19.000 -0.065 0.000 0.819 245 A HN 0.430 nan 8.150 nan 0.000 0.442 246 R N -0.059 120.375 120.500 -0.110 0.000 2.127 246 R HA -0.118 4.222 4.340 -0.000 0.000 0.238 246 R C 1.521 177.752 176.300 -0.115 0.000 1.134 246 R CA 1.567 57.612 56.100 -0.090 0.000 0.975 246 R CB -0.259 30.006 30.300 -0.058 0.000 0.865 246 R HN 0.495 nan 8.270 nan 0.000 0.447 247 K N -0.743 119.562 120.400 -0.159 0.000 2.525 247 K HA 0.031 4.351 4.320 -0.000 0.000 0.192 247 K C 0.919 177.392 176.600 -0.212 0.000 1.029 247 K CA 0.612 56.801 56.287 -0.162 0.000 1.029 247 K CB 0.557 32.979 32.500 -0.130 0.000 0.814 247 K HN 0.413 nan 8.250 nan 0.000 0.503 248 G N 0.455 109.106 108.800 -0.248 0.000 2.205 248 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.180 248 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.180 248 G C 0.344 175.072 174.900 -0.285 0.000 1.004 248 G CA -0.467 44.510 45.100 -0.205 0.000 0.670 248 G HN 0.460 nan 8.290 nan 0.000 0.496 249 G N -0.481 107.971 108.800 -0.579 0.000 2.562 249 G HA2 0.572 4.532 3.960 -0.000 0.000 0.275 249 G HA3 0.572 4.532 3.960 -0.000 0.000 0.275 249 G C -0.171 174.613 174.900 -0.194 0.000 1.196 249 G CA 0.568 45.283 45.100 -0.641 0.000 0.908 249 G HN 0.444 nan 8.290 nan 0.000 0.524 250 T N 0.481 115.042 114.554 0.012 0.000 2.859 250 T HA 0.537 4.887 4.350 -0.000 0.000 0.281 250 T C 0.107 174.793 174.700 -0.024 0.000 1.005 250 T CA -0.127 61.924 62.100 -0.081 0.000 1.025 250 T CB 1.102 69.780 68.868 -0.317 0.000 0.977 250 T HN 0.584 nan 8.240 nan 0.000 0.458 251 I N -0.297 120.226 120.570 -0.078 0.000 2.608 251 I HA 0.750 4.920 4.170 -0.000 0.000 0.295 251 I C -1.285 174.759 176.117 -0.120 0.000 1.049 251 I CA -1.026 60.230 61.300 -0.073 0.000 1.063 251 I CB 2.248 40.231 38.000 -0.027 0.000 1.248 251 I HN 0.378 nan 8.210 nan 0.000 0.424 252 D N 6.039 126.365 120.400 -0.123 0.000 2.381 252 D HA 0.522 5.161 4.640 -0.000 0.000 0.235 252 D C -0.730 175.536 176.300 -0.056 0.000 1.068 252 D CA -0.310 53.629 54.000 -0.103 0.000 0.832 252 D CB 1.400 42.132 40.800 -0.113 0.000 1.101 252 D HN 0.535 nan 8.370 nan 0.000 0.515 253 I N 2.835 123.388 120.570 -0.027 0.000 2.396 253 I HA 0.211 4.380 4.170 -0.000 0.000 0.292 253 I C 0.249 176.352 176.117 -0.022 0.000 0.999 253 I CA -0.393 60.906 61.300 -0.002 0.000 1.310 253 I CB 1.687 39.689 38.000 0.003 0.000 1.404 253 I HN 0.299 nan 8.210 nan 0.000 0.496 254 T N 3.888 118.438 114.554 -0.007 0.000 2.743 254 T HA 0.079 4.429 4.350 -0.000 0.000 0.292 254 T C 1.165 175.839 174.700 -0.045 0.000 0.972 254 T CA -0.552 61.543 62.100 -0.008 0.000 0.967 254 T CB 1.288 70.190 68.868 0.057 0.000 0.926 254 T HN 0.810 nan 8.240 nan 0.000 0.459 255 S N 2.380 118.051 115.700 -0.049 0.000 2.419 255 S HA -0.139 4.331 4.470 -0.000 0.000 0.233 255 S C 2.071 176.633 174.600 -0.063 0.000 1.016 255 S CA 1.192 59.356 58.200 -0.061 0.000 0.974 255 S CB -0.421 62.746 63.200 -0.055 0.000 0.786 255 S HN 0.689 nan 8.310 nan 0.000 0.492 256 S N 0.451 116.112 115.700 -0.064 0.000 2.562 256 S HA 0.329 4.799 4.470 -0.000 0.000 0.221 256 S C 0.453 175.007 174.600 -0.077 0.000 0.975 256 S CA -0.423 57.733 58.200 -0.073 0.000 0.918 256 S CB -0.662 62.486 63.200 -0.087 0.000 0.772 256 S HN 0.548 nan 8.310 nan 0.000 0.531 257 I N 3.135 123.658 120.570 -0.079 0.000 2.307 257 I HA 0.244 4.413 4.170 -0.000 0.000 0.289 257 I C 0.310 176.378 176.117 -0.082 0.000 1.021 257 I CA -0.578 60.673 61.300 -0.082 0.000 1.224 257 I CB 1.534 39.483 38.000 -0.085 0.000 1.376 257 I HN 0.221 nan 8.210 nan 0.000 0.470 258 D N 3.545 123.902 120.400 -0.073 0.000 2.367 258 D HA 0.095 4.735 4.640 -0.000 0.000 0.207 258 D C 0.177 176.432 176.300 -0.074 0.000 1.034 258 D CA 0.235 54.193 54.000 -0.071 0.000 0.861 258 D CB 0.503 41.270 40.800 -0.054 0.000 0.943 258 D HN 0.413 nan 8.370 nan 0.000 0.515 259 E N -0.476 119.681 120.200 -0.072 0.000 2.383 259 E HA 0.230 4.580 4.350 -0.000 0.000 0.275 259 E C -2.108 174.449 176.600 -0.071 0.000 0.918 259 E CA -1.938 54.421 56.400 -0.068 0.000 0.764 259 E CB 2.693 32.364 29.700 -0.048 0.000 1.252 259 E HN -0.118 nan 8.360 nan 0.000 0.449 260 P HA 0.057 nan 4.420 nan 0.000 0.240 260 P C 0.009 177.239 177.300 -0.116 0.000 1.190 260 P CA 0.351 63.407 63.100 -0.073 0.000 0.781 260 P CB 0.503 32.171 31.700 -0.052 0.000 0.931 261 V N 1.122 120.930 119.914 -0.176 0.000 2.326 261 V HA 0.532 4.652 4.120 -0.000 0.000 0.281 261 V C 0.614 176.555 176.094 -0.256 0.000 1.015 261 V CA -1.319 60.806 62.300 -0.293 0.000 0.823 261 V CB 0.754 32.235 31.823 -0.570 0.000 1.009 261 V HN 0.091 nan 8.190 nan 0.000 0.436 262 A N 7.687 130.389 122.820 -0.197 0.000 2.425 262 A HA 0.512 4.832 4.320 -0.000 0.000 0.242 262 A C -1.000 176.454 177.584 -0.217 0.000 1.077 262 A CA -0.858 51.082 52.037 -0.162 0.000 0.781 262 A CB 0.045 18.986 19.000 -0.099 0.000 1.020 262 A HN 0.631 nan 8.150 nan 0.000 0.494 263 P HA -0.238 nan 4.420 nan 0.000 0.214 263 P C 1.626 178.766 177.300 -0.266 0.000 1.163 263 P CA 2.664 65.650 63.100 -0.190 0.000 0.889 263 P CB -0.050 31.562 31.700 -0.147 0.000 0.790 264 A N -0.018 122.612 122.820 -0.317 0.000 1.902 264 A HA -0.248 4.071 4.320 -0.000 0.000 0.217 264 A C 2.394 179.504 177.584 -0.789 0.000 1.181 264 A CA 1.929 53.639 52.037 -0.545 0.000 0.623 264 A CB -1.440 17.250 19.000 -0.518 0.000 0.818 264 A HN 0.244 nan 8.150 nan 0.000 0.443 265 E N -0.501 119.345 120.200 -0.591 0.000 2.085 265 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 265 E C 2.087 178.485 176.600 -0.335 0.000 0.994 265 E CA 1.171 57.299 56.400 -0.453 0.000 0.801 265 E CB -0.432 29.156 29.700 -0.186 0.000 0.743 265 E HN 0.521 nan 8.360 nan 0.000 0.453 266 G N 1.293 109.883 108.800 -0.351 0.000 2.421 266 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 266 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 266 G C 1.616 176.547 174.900 0.051 0.000 1.171 266 G CA 0.924 45.868 45.100 -0.260 0.000 0.775 266 G HN 0.254 nan 8.290 nan 0.000 0.543 267 I N 1.399 121.903 120.570 -0.109 0.000 2.226 267 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 267 I C 3.305 179.421 176.117 -0.002 0.000 1.100 267 I CA 0.993 62.249 61.300 -0.072 0.000 1.374 267 I CB -0.246 37.632 38.000 -0.203 0.000 1.057 267 I HN 0.248 nan 8.210 nan 0.000 0.413 268 A N 0.791 123.524 122.820 -0.146 0.000 1.902 268 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 268 A C 2.403 180.077 177.584 0.150 0.000 1.181 268 A CA 1.547 53.625 52.037 0.070 0.000 0.623 268 A CB -0.591 18.360 19.000 -0.081 0.000 0.818 268 A HN 0.303 nan 8.150 nan 0.000 0.443 269 R N -0.683 119.888 120.500 0.118 0.000 2.096 269 R HA -0.083 4.256 4.340 -0.000 0.000 0.235 269 R C 2.456 178.860 176.300 0.173 0.000 1.127 269 R CA 1.154 57.364 56.100 0.183 0.000 0.968 269 R CB -0.406 30.064 30.300 0.282 0.000 0.861 269 R HN 0.536 nan 8.270 nan 0.000 0.440 270 A N 0.411 123.338 122.820 0.180 0.000 1.898 270 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 270 A C 2.305 179.936 177.584 0.078 0.000 1.181 270 A CA 1.281 53.376 52.037 0.096 0.000 0.620 270 A CB -0.508 18.540 19.000 0.080 0.000 0.819 270 A HN 0.117 nan 8.150 nan 0.000 0.442 271 V N 0.093 120.078 119.914 0.118 0.000 2.295 271 V HA -0.333 3.786 4.120 -0.000 0.000 0.246 271 V C 2.592 178.725 176.094 0.065 0.000 1.049 271 V CA 2.318 64.674 62.300 0.094 0.000 1.024 271 V CB -0.960 30.949 31.823 0.142 0.000 0.648 271 V HN 0.659 nan 8.190 nan 0.000 0.447 272 Q N -0.304 119.550 119.800 0.091 0.000 2.297 272 Q HA -0.124 4.216 4.340 -0.000 0.000 0.208 272 Q C 2.080 178.111 176.000 0.052 0.000 0.981 272 Q CA 1.451 57.298 55.803 0.073 0.000 0.876 272 Q CB -0.318 28.479 28.738 0.099 0.000 0.921 272 Q HN 0.690 nan 8.270 nan 0.000 0.446 273 A N -0.281 122.568 122.820 0.048 0.000 2.218 273 A HA 0.317 4.637 4.320 -0.000 0.000 0.209 273 A C 1.457 179.046 177.584 0.008 0.000 1.168 273 A CA 0.733 52.784 52.037 0.024 0.000 0.804 273 A CB -0.035 18.972 19.000 0.011 0.000 0.834 273 A HN 0.426 nan 8.150 nan 0.000 0.482 274 G N -1.071 107.736 108.800 0.011 0.000 2.144 274 G HA2 -0.184 3.775 3.960 -0.000 0.000 0.218 274 G HA3 -0.184 3.775 3.960 -0.000 0.000 0.218 274 G C -0.004 174.891 174.900 -0.008 0.000 0.988 274 G CA 0.095 45.195 45.100 -0.001 0.000 0.659 274 G HN 0.404 nan 8.290 nan 0.000 0.522 275 I N 2.701 123.269 120.570 -0.004 0.000 2.365 275 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 275 I C -1.539 174.579 176.117 0.002 0.000 1.004 275 I CA -2.404 58.889 61.300 -0.011 0.000 1.311 275 I CB 1.321 39.309 38.000 -0.021 0.000 1.401 275 I HN -0.101 nan 8.210 nan 0.000 0.491 276 P HA 0.085 nan 4.420 nan 0.000 0.271 276 P C 0.769 178.079 177.300 0.017 0.000 1.218 276 P CA -0.197 62.906 63.100 0.005 0.000 0.780 276 P CB 0.875 32.576 31.700 0.001 0.000 0.901 277 L N 1.729 122.971 121.223 0.030 0.000 2.187 277 L HA -0.223 4.116 4.340 -0.000 0.000 0.213 277 L C 2.371 179.262 176.870 0.035 0.000 1.100 277 L CA 1.666 56.535 54.840 0.049 0.000 0.765 277 L CB -0.754 41.347 42.059 0.070 0.000 0.904 277 L HN 0.433 nan 8.230 nan 0.000 0.437 278 A N -0.271 122.568 122.820 0.030 0.000 2.070 278 A HA -0.157 4.162 4.320 -0.000 0.000 0.220 278 A C 2.074 179.674 177.584 0.027 0.000 1.159 278 A CA 1.220 53.278 52.037 0.036 0.000 0.656 278 A CB -0.311 18.710 19.000 0.035 0.000 0.800 278 A HN 0.367 nan 8.150 nan 0.000 0.453 279 R N -0.704 119.799 120.500 0.005 0.000 2.552 279 R HA 0.278 4.618 4.340 -0.000 0.000 0.314 279 R C -1.087 175.182 176.300 -0.051 0.000 1.041 279 R CA 0.046 56.132 56.100 -0.023 0.000 1.076 279 R CB 0.552 30.834 30.300 -0.029 0.000 1.290 279 R HN 0.264 nan 8.270 nan 0.000 0.563 280 V N 1.092 120.985 119.914 -0.034 0.000 2.483 280 V HA 0.300 4.420 4.120 -0.000 0.000 0.297 280 V C 0.166 176.232 176.094 -0.047 0.000 1.027 280 V CA -0.753 61.525 62.300 -0.036 0.000 0.855 280 V CB 1.851 33.676 31.823 0.005 0.000 0.995 280 V HN 0.239 nan 8.190 nan 0.000 0.424 281 T N 2.485 116.992 114.554 -0.078 0.000 2.916 281 T HA 0.884 5.234 4.350 -0.000 0.000 0.292 281 T C -1.089 173.576 174.700 -0.058 0.000 1.064 281 T CA -0.842 61.218 62.100 -0.067 0.000 1.011 281 T CB 2.190 71.000 68.868 -0.096 0.000 1.152 281 T HN 0.511 nan 8.240 nan 0.000 0.510 282 L N 1.646 122.838 121.223 -0.052 0.000 2.410 282 L HA 0.803 5.142 4.340 -0.000 0.000 0.270 282 L C -0.566 176.289 176.870 -0.025 0.000 0.983 282 L CA -0.044 54.762 54.840 -0.056 0.000 0.822 282 L CB 2.137 44.137 42.059 -0.097 0.000 1.285 282 L HN 1.175 nan 8.230 nan 0.000 0.409 283 S N 1.199 116.898 115.700 -0.002 0.000 2.627 283 S HA 0.563 5.033 4.470 -0.000 0.000 0.283 283 S C 0.434 175.061 174.600 0.045 0.000 1.127 283 S CA 0.024 58.258 58.200 0.057 0.000 0.863 283 S CB 1.448 64.719 63.200 0.119 0.000 1.121 283 S HN 0.812 nan 8.310 nan 0.000 0.479 284 S N 0.043 115.805 115.700 0.104 0.000 2.421 284 S HA 0.102 4.571 4.470 -0.000 0.000 0.224 284 S C 0.596 175.201 174.600 0.009 0.000 1.035 284 S CA 1.084 59.317 58.200 0.056 0.000 0.953 284 S CB -0.805 62.457 63.200 0.104 0.000 0.810 284 S HN 1.049 nan 8.310 nan 0.000 0.497 285 D N 1.311 121.766 120.400 0.092 0.000 2.981 285 D HA -0.093 4.547 4.640 -0.000 0.000 0.223 285 D C 0.273 176.662 176.300 0.148 0.000 1.151 285 D CA 0.957 55.056 54.000 0.164 0.000 0.827 285 D CB -1.663 39.140 40.800 0.004 0.000 1.101 285 D HN 0.683 nan 8.370 nan 0.000 0.426 286 G N 0.340 109.156 108.800 0.027 0.000 2.432 286 G HA2 0.278 4.238 3.960 -0.000 0.000 0.239 286 G HA3 0.278 4.238 3.960 -0.000 0.000 0.239 286 G C 0.858 175.722 174.900 -0.061 0.000 1.291 286 G CA 0.690 45.558 45.100 -0.387 0.000 0.863 286 G HN 0.460 nan 8.290 nan 0.000 0.560 287 N N -0.960 117.635 118.700 -0.175 0.000 2.909 287 N HA -0.145 4.595 4.740 -0.000 0.000 0.242 287 N C 0.954 176.471 175.510 0.010 0.000 0.975 287 N CA 1.957 55.013 53.050 0.011 0.000 0.921 287 N CB -1.303 37.292 38.487 0.181 0.000 1.112 287 N HN 1.012 nan 8.380 nan 0.000 0.581 288 G N -1.166 107.615 108.800 -0.032 0.000 2.535 288 G HA2 0.560 4.520 3.960 -0.000 0.000 0.282 288 G HA3 0.560 4.520 3.960 -0.000 0.000 0.282 288 G C 0.087 174.900 174.900 -0.146 0.000 1.350 288 G CA 0.285 45.258 45.100 -0.212 0.000 1.039 288 G HN 0.714 nan 8.290 nan 0.000 0.509 305 A N 2.918 125.670 122.820 -0.114 0.000 2.477 305 A HA 0.747 5.066 4.320 -0.000 0.000 0.246 305 A C 0.843 178.261 177.584 -0.277 0.000 1.078 305 A CA 0.868 52.809 52.037 -0.159 0.000 0.770 305 A CB 0.479 19.386 19.000 -0.154 0.000 1.011 305 A HN 1.614 nan 8.150 nan 0.000 0.494 306 G N -0.299 108.345 108.800 -0.260 0.000 2.671 306 G HA2 0.540 4.499 3.960 -0.000 0.000 0.275 306 G HA3 0.540 4.499 3.960 -0.000 0.000 0.275 306 G C -0.291 174.310 174.900 -0.499 0.000 1.368 306 G CA -0.438 44.467 45.100 -0.326 0.000 1.044 306 G HN 0.556 nan 8.290 nan 0.000 0.543 307 F N -0.164 119.822 119.950 0.060 0.000 2.682 307 F HA 0.197 4.724 4.527 -0.000 0.000 0.308 307 F C 2.383 178.224 175.800 0.069 0.000 1.093 307 F CA -0.082 57.961 58.000 0.072 0.000 1.244 307 F CB 0.718 39.773 39.000 0.092 0.000 1.052 307 F HN 0.439 nan 8.300 nan 0.000 0.573 308 E N 0.352 120.660 120.200 0.181 0.000 2.204 308 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 308 E C 1.573 178.226 176.600 0.088 0.000 0.989 308 E CA 1.764 58.244 56.400 0.134 0.000 0.824 308 E CB -1.313 28.441 29.700 0.090 0.000 0.756 308 E HN 0.426 nan 8.360 nan 0.000 0.477 309 T N -0.630 113.954 114.554 0.050 0.000 3.077 309 T HA 0.006 4.356 4.350 -0.000 0.000 0.269 309 T C 2.041 176.741 174.700 0.001 0.000 1.146 309 T CA 0.600 62.707 62.100 0.011 0.000 1.091 309 T CB -0.356 68.499 68.868 -0.021 0.000 0.892 309 T HN 0.096 nan 8.240 nan 0.000 0.533 310 L N -0.354 120.894 121.223 0.041 0.000 2.007 310 L HA 0.105 4.444 4.340 -0.000 0.000 0.205 310 L C 2.550 179.369 176.870 -0.085 0.000 1.073 310 L CA 0.884 55.701 54.840 -0.040 0.000 0.744 310 L CB -0.670 41.394 42.059 0.008 0.000 0.898 310 L HN 0.228 nan 8.230 nan 0.000 0.435 311 L N 0.164 121.432 121.223 0.074 0.000 2.046 311 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 311 L C 2.384 179.280 176.870 0.044 0.000 1.077 311 L CA 1.760 56.681 54.840 0.136 0.000 0.747 311 L CB -0.563 41.647 42.059 0.251 0.000 0.896 311 L HN 0.228 nan 8.230 nan 0.000 0.432 312 E N -1.153 119.066 120.200 0.031 0.000 2.118 312 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 312 E C 1.898 178.479 176.600 -0.031 0.000 0.992 312 E CA 1.746 58.150 56.400 0.006 0.000 0.804 312 E CB -0.291 29.411 29.700 0.004 0.000 0.741 312 E HN 0.570 nan 8.360 nan 0.000 0.458 313 T N 0.797 115.309 114.554 -0.069 0.000 2.746 313 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 313 T C 2.125 176.743 174.700 -0.138 0.000 1.039 313 T CA 0.993 63.023 62.100 -0.118 0.000 1.142 313 T CB -0.211 68.565 68.868 -0.153 0.000 0.866 313 T HN -0.016 nan 8.240 nan 0.000 0.444 314 V N 1.668 121.508 119.914 -0.124 0.000 2.255 314 V HA -0.257 3.862 4.120 -0.000 0.000 0.247 314 V C 2.649 178.708 176.094 -0.058 0.000 1.051 314 V CA 1.771 64.008 62.300 -0.106 0.000 1.018 314 V CB -0.754 31.028 31.823 -0.069 0.000 0.641 314 V HN 0.514 nan 8.190 nan 0.000 0.445 315 Q N -0.583 119.203 119.800 -0.023 0.000 2.096 315 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 315 Q C 2.307 178.309 176.000 0.003 0.000 0.982 315 Q CA 1.997 57.799 55.803 -0.001 0.000 0.850 315 Q CB -0.403 28.343 28.738 0.014 0.000 0.901 315 Q HN 0.541 nan 8.270 nan 0.000 0.422 316 V N 0.909 120.821 119.914 -0.003 0.000 2.427 316 V HA -0.238 3.881 4.120 -0.000 0.000 0.248 316 V C 2.148 178.302 176.094 0.099 0.000 1.051 316 V CA 1.381 63.709 62.300 0.046 0.000 1.048 316 V CB -0.444 31.409 31.823 0.049 0.000 0.666 316 V HN 0.347 nan 8.190 nan 0.000 0.456 317 L N -0.668 120.526 121.223 -0.049 0.000 2.017 317 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 317 L C 2.456 179.359 176.870 0.056 0.000 1.073 317 L CA 1.284 56.021 54.840 -0.172 0.000 0.745 317 L CB -0.493 41.249 42.059 -0.528 0.000 0.894 317 L HN 0.196 nan 8.230 nan 0.000 0.432 318 V N -0.049 119.903 119.914 0.064 0.000 2.270 318 V HA -0.304 3.816 4.120 -0.000 0.000 0.245 318 V C 2.502 178.658 176.094 0.103 0.000 1.043 318 V CA 2.048 64.419 62.300 0.118 0.000 1.014 318 V CB -0.470 31.384 31.823 0.052 0.000 0.645 318 V HN 0.439 nan 8.190 nan 0.000 0.447 319 K N 0.043 120.483 120.400 0.066 0.000 1.985 319 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 319 K C 1.573 178.186 176.600 0.020 0.000 1.047 319 K CA 2.181 58.492 56.287 0.040 0.000 0.932 319 K CB -0.175 32.340 32.500 0.025 0.000 0.716 319 K HN 0.444 nan 8.250 nan 0.000 0.439 320 D N -1.319 119.090 120.400 0.016 0.000 2.379 320 D HA 0.004 4.644 4.640 -0.000 0.000 0.208 320 D C 0.409 176.533 176.300 -0.294 0.000 1.065 320 D CA 0.451 54.364 54.000 -0.145 0.000 0.848 320 D CB 0.448 41.103 40.800 -0.242 0.000 0.949 320 D HN 0.296 nan 8.370 nan 0.000 0.509 321 Y N 0.334 120.659 120.300 0.042 0.000 2.612 321 Y HA 0.117 4.667 4.550 -0.000 0.000 0.250 321 Y C 0.210 176.266 175.900 0.260 0.000 1.175 321 Y CA -0.529 57.640 58.100 0.115 0.000 1.205 321 Y CB 0.650 39.130 38.460 0.034 0.000 1.201 321 Y HN -0.214 nan 8.280 nan 0.000 0.532 322 D N -0.900 119.667 120.400 0.279 0.000 3.041 322 D HA -0.244 4.396 4.640 -0.000 0.000 0.220 322 D C -0.679 175.790 176.300 0.281 0.000 1.157 322 D CA 0.410 54.544 54.000 0.223 0.000 0.876 322 D CB -1.485 39.395 40.800 0.132 0.000 1.107 322 D HN 0.086 nan 8.370 nan 0.000 0.422 323 F N 1.000 120.998 119.950 0.079 0.000 2.371 323 F HA 0.446 4.973 4.527 -0.000 0.000 0.329 323 F C 1.414 177.234 175.800 0.033 0.000 1.107 323 F CA -0.280 57.752 58.000 0.053 0.000 1.137 323 F CB 1.200 40.224 39.000 0.040 0.000 1.214 323 F HN 0.037 nan 8.300 nan 0.000 0.536 324 S N 2.492 118.263 115.700 0.119 0.000 2.632 324 S HA 0.341 4.810 4.470 -0.000 0.000 0.267 324 S C 1.337 175.996 174.600 0.099 0.000 1.276 324 S CA -0.702 57.556 58.200 0.096 0.000 0.998 324 S CB 0.635 63.879 63.200 0.074 0.000 0.953 324 S HN 0.559 nan 8.310 nan 0.000 0.547 325 I N 0.989 121.548 120.570 -0.018 0.000 2.208 325 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 325 I C 2.767 178.817 176.117 -0.112 0.000 1.097 325 I CA 1.268 62.449 61.300 -0.199 0.000 1.363 325 I CB -0.775 36.815 38.000 -0.683 0.000 1.051 325 I HN 0.699 nan 8.210 nan 0.000 0.413 326 S N 0.538 116.261 115.700 0.037 0.000 2.359 326 S HA -0.236 4.234 4.470 -0.000 0.000 0.223 326 S C 1.654 176.328 174.600 0.123 0.000 1.039 326 S CA 1.847 60.144 58.200 0.160 0.000 1.042 326 S CB -0.300 63.026 63.200 0.210 0.000 0.915 326 S HN 0.433 nan 8.310 nan 0.000 0.439 327 D N 1.138 121.614 120.400 0.127 0.000 2.117 327 D HA 0.027 4.667 4.640 -0.000 0.000 0.198 327 D C 2.103 178.572 176.300 0.282 0.000 0.982 327 D CA 1.140 55.240 54.000 0.166 0.000 0.828 327 D CB -0.510 40.316 40.800 0.044 0.000 0.967 327 D HN 0.377 nan 8.370 nan 0.000 0.464 328 A N 0.413 123.413 122.820 0.300 0.000 2.024 328 A HA -0.128 4.192 4.320 -0.000 0.000 0.220 328 A C 2.296 179.905 177.584 0.043 0.000 1.164 328 A CA 0.935 53.072 52.037 0.167 0.000 0.643 328 A CB -0.627 18.423 19.000 0.084 0.000 0.806 328 A HN 0.243 nan 8.150 nan 0.000 0.451 329 L N -1.549 119.709 121.223 0.059 0.000 2.270 329 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 329 L C 2.652 179.555 176.870 0.055 0.000 1.104 329 L CA 0.549 55.422 54.840 0.055 0.000 0.804 329 L CB -0.397 41.727 42.059 0.108 0.000 0.937 329 L HN 0.320 nan 8.230 nan 0.000 0.450 330 R N 0.436 120.981 120.500 0.075 0.000 2.113 330 R HA -0.194 4.146 4.340 -0.000 0.000 0.244 330 R C -0.508 175.816 176.300 0.040 0.000 1.142 330 R CA 1.757 57.899 56.100 0.070 0.000 0.953 330 R CB -1.677 28.672 30.300 0.081 0.000 0.860 330 R HN 0.332 nan 8.270 nan 0.000 0.438 331 P HA -0.112 nan 4.420 nan 0.000 0.225 331 P C 0.814 178.089 177.300 -0.042 0.000 1.148 331 P CA 1.269 64.357 63.100 -0.020 0.000 0.779 331 P CB 0.101 31.772 31.700 -0.047 0.000 0.780 332 L N -2.191 118.992 121.223 -0.067 0.000 2.693 332 L HA 0.154 4.494 4.340 -0.000 0.000 0.235 332 L C 1.627 178.536 176.870 0.064 0.000 1.127 332 L CA 0.634 55.422 54.840 -0.088 0.000 0.914 332 L CB -0.116 41.705 42.059 -0.397 0.000 1.193 332 L HN 0.143 nan 8.230 nan 0.000 0.502 333 T N -5.586 109.019 114.554 0.086 0.000 3.212 333 T HA -0.000 4.349 4.350 -0.000 0.000 0.157 333 T C 1.722 176.480 174.700 0.098 0.000 0.908 333 T CA 0.601 62.780 62.100 0.131 0.000 0.954 333 T CB -0.371 68.599 68.868 0.170 0.000 1.709 333 T HN 0.037 nan 8.240 nan 0.000 0.335 334 S N 2.037 117.791 115.700 0.090 0.000 2.383 334 S HA -0.127 4.342 4.470 -0.000 0.000 0.229 334 S C 2.266 176.908 174.600 0.071 0.000 1.030 334 S CA 1.807 60.052 58.200 0.075 0.000 1.002 334 S CB -1.307 61.936 63.200 0.072 0.000 0.829 334 S HN 0.514 nan 8.310 nan 0.000 0.467 335 S N 1.555 117.296 115.700 0.068 0.000 2.368 335 S HA -0.019 4.451 4.470 -0.000 0.000 0.224 335 S C 2.018 176.679 174.600 0.101 0.000 1.029 335 S CA 1.254 59.496 58.200 0.071 0.000 0.988 335 S CB -0.626 62.601 63.200 0.045 0.000 0.838 335 S HN 0.479 nan 8.310 nan 0.000 0.462 336 V N 2.214 122.181 119.914 0.089 0.000 2.307 336 V HA -0.157 3.962 4.120 -0.000 0.000 0.245 336 V C 2.697 178.854 176.094 0.105 0.000 1.045 336 V CA 1.619 63.989 62.300 0.118 0.000 1.024 336 V CB -1.386 30.490 31.823 0.088 0.000 0.651 336 V HN 0.526 nan 8.190 nan 0.000 0.449 337 A N 0.850 123.707 122.820 0.061 0.000 1.908 337 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 337 A C 2.414 180.000 177.584 0.003 0.000 1.181 337 A CA 2.074 54.117 52.037 0.011 0.000 0.627 337 A CB -1.277 17.737 19.000 0.025 0.000 0.818 337 A HN 0.531 nan 8.150 nan 0.000 0.445 338 G N -1.368 107.460 108.800 0.047 0.000 2.421 338 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 338 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 338 G C 1.467 176.401 174.900 0.055 0.000 1.171 338 G CA 1.105 46.232 45.100 0.046 0.000 0.775 338 G HN 0.483 nan 8.290 nan 0.000 0.543 339 F N 0.979 120.912 119.950 -0.027 0.000 2.171 339 F HA 0.091 4.618 4.527 -0.001 0.000 0.300 339 F C 2.020 177.788 175.800 -0.052 0.000 1.090 339 F CA 1.154 59.138 58.000 -0.028 0.000 1.293 339 F CB 0.061 39.054 39.000 -0.010 0.000 1.013 339 F HN 0.018 nan 8.300 nan 0.000 0.486 340 L N 0.230 121.356 121.223 -0.163 0.000 2.667 340 L HA 0.121 4.460 4.340 -0.000 0.000 0.232 340 L C -0.046 176.656 176.870 -0.279 0.000 1.138 340 L CA -0.019 54.643 54.840 -0.297 0.000 0.921 340 L CB -0.572 41.358 42.059 -0.214 0.000 1.180 340 L HN 0.092 nan 8.230 nan 0.000 0.487 341 N N 1.037 119.617 118.700 -0.200 0.000 2.725 341 N HA -0.185 4.554 4.740 -0.000 0.000 0.251 341 N C -0.378 175.027 175.510 -0.175 0.000 1.031 341 N CA 0.763 53.719 53.050 -0.157 0.000 0.720 341 N CB -1.668 36.725 38.487 -0.157 0.000 0.930 341 N HN 0.341 nan 8.380 nan 0.000 0.543 342 L N 0.819 121.929 121.223 -0.187 0.000 2.356 342 L HA 0.147 4.487 4.340 -0.000 0.000 0.282 342 L C 0.675 177.502 176.870 -0.071 0.000 1.132 342 L CA -0.157 54.552 54.840 -0.219 0.000 0.923 342 L CB 0.188 42.067 42.059 -0.300 0.000 1.278 342 L HN -0.020 nan 8.230 nan 0.000 0.436 343 T N 1.995 116.527 114.554 -0.037 0.000 2.902 343 T HA 0.218 4.568 4.350 -0.000 0.000 0.301 343 T C 1.222 175.952 174.700 0.051 0.000 1.012 343 T CA 0.971 63.078 62.100 0.011 0.000 1.151 343 T CB 0.988 69.867 68.868 0.019 0.000 0.946 343 T HN 0.972 nan 8.240 nan 0.000 0.542 344 G N 2.402 111.231 108.800 0.048 0.000 2.179 344 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.260 344 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.260 344 G C 0.108 175.053 174.900 0.075 0.000 0.977 344 G CA -0.088 45.050 45.100 0.063 0.000 0.641 344 G HN 0.570 nan 8.290 nan 0.000 0.533 345 K N -0.697 119.746 120.400 0.072 0.000 2.295 345 K HA 0.727 5.047 4.320 -0.000 0.000 0.239 345 K C 1.263 177.907 176.600 0.073 0.000 0.991 345 K CA -0.165 56.173 56.287 0.085 0.000 0.845 345 K CB 1.010 33.566 32.500 0.095 0.000 1.197 345 K HN 1.178 nan 8.250 nan 0.000 0.441 346 G N 0.578 109.432 108.800 0.091 0.000 2.212 346 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.266 346 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.266 346 G C -0.291 174.663 174.900 0.090 0.000 0.978 346 G CA 0.581 45.739 45.100 0.096 0.000 0.632 346 G HN 0.514 nan 8.290 nan 0.000 0.537 347 E N -0.907 119.339 120.200 0.077 0.000 2.331 347 E HA 0.553 4.903 4.350 -0.000 0.000 0.275 347 E C -0.747 175.891 176.600 0.062 0.000 0.895 347 E CA -0.995 55.448 56.400 0.071 0.000 0.753 347 E CB 1.934 31.669 29.700 0.058 0.000 1.216 347 E HN 0.175 nan 8.360 nan 0.000 0.434 348 I N 4.049 124.656 120.570 0.062 0.000 2.269 348 I HA 0.235 4.405 4.170 -0.000 0.000 0.293 348 I C -0.738 175.401 176.117 0.037 0.000 1.106 348 I CA 0.186 61.515 61.300 0.048 0.000 1.248 348 I CB -0.043 37.987 38.000 0.050 0.000 1.444 348 I HN 0.197 nan 8.210 nan 0.000 0.497 349 L N 7.400 128.642 121.223 0.032 0.000 2.434 349 L HA 0.548 4.888 4.340 -0.000 0.000 0.260 349 L C -2.561 174.323 176.870 0.023 0.000 0.983 349 L CA -2.233 52.623 54.840 0.025 0.000 0.820 349 L CB 2.319 44.394 42.059 0.027 0.000 1.361 349 L HN 0.186 nan 8.230 nan 0.000 0.410 350 P HA 0.104 nan 4.420 nan 0.000 0.265 350 P C 0.782 178.095 177.300 0.022 0.000 1.193 350 P CA 0.880 63.991 63.100 0.018 0.000 0.765 350 P CB 0.751 32.460 31.700 0.014 0.000 0.823 351 G N 1.527 110.342 108.800 0.025 0.000 2.268 351 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.240 351 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.240 351 G C 0.473 175.392 174.900 0.032 0.000 1.010 351 G CA -0.267 44.850 45.100 0.028 0.000 0.618 351 G HN 0.537 nan 8.290 nan 0.000 0.516 352 N N 1.547 120.267 118.700 0.034 0.000 2.408 352 N HA 0.465 5.204 4.740 -0.000 0.000 0.260 352 N C -0.257 175.279 175.510 0.044 0.000 1.242 352 N CA -0.433 52.643 53.050 0.042 0.000 0.959 352 N CB 0.365 38.878 38.487 0.044 0.000 1.201 352 N HN 0.191 nan 8.380 nan 0.000 0.511 353 D N 0.046 120.479 120.400 0.056 0.000 2.382 353 D HA 0.168 4.808 4.640 -0.000 0.000 0.245 353 D C -0.211 176.119 176.300 0.050 0.000 1.120 353 D CA -0.054 53.980 54.000 0.056 0.000 0.890 353 D CB 0.506 41.350 40.800 0.074 0.000 1.201 353 D HN 0.458 nan 8.370 nan 0.000 0.433 354 A N 2.617 125.462 122.820 0.041 0.000 3.037 354 A HA 0.120 4.439 4.320 -0.000 0.000 0.272 354 A C -0.471 177.151 177.584 0.063 0.000 1.723 354 A CA -0.354 51.702 52.037 0.031 0.000 1.413 354 A CB -0.335 18.666 19.000 0.002 0.000 1.112 354 A HN 0.226 nan 8.150 nan 0.000 0.606 355 D N 1.521 121.962 120.400 0.069 0.000 2.454 355 D HA 0.588 5.228 4.640 -0.000 0.000 0.225 355 D C -0.471 175.874 176.300 0.074 0.000 1.081 355 D CA 0.393 54.442 54.000 0.082 0.000 0.864 355 D CB 1.073 41.922 40.800 0.081 0.000 1.040 355 D HN 0.383 nan 8.370 nan 0.000 0.517 356 L N 1.367 122.653 121.223 0.104 0.000 2.434 356 L HA 0.526 4.865 4.340 -0.000 0.000 0.260 356 L C -0.663 176.267 176.870 0.100 0.000 0.983 356 L CA -0.908 53.984 54.840 0.087 0.000 0.820 356 L CB 2.114 44.210 42.059 0.062 0.000 1.361 356 L HN 0.006 nan 8.230 nan 0.000 0.410 357 L N 2.041 123.279 121.223 0.026 0.000 2.334 357 L HA 0.693 5.032 4.340 -0.000 0.000 0.276 357 L C -0.767 176.132 176.870 0.048 0.000 1.014 357 L CA -1.063 53.768 54.840 -0.015 0.000 0.815 357 L CB 2.174 44.136 42.059 -0.162 0.000 1.268 357 L HN 0.224 nan 8.230 nan 0.000 0.428 358 V N 3.730 123.680 119.914 0.060 0.000 2.378 358 V HA 0.502 4.621 4.120 -0.000 0.000 0.288 358 V C 0.079 176.197 176.094 0.040 0.000 1.016 358 V CA -0.177 62.170 62.300 0.077 0.000 0.840 358 V CB 1.538 33.434 31.823 0.121 0.000 0.994 358 V HN 0.726 nan 8.190 nan 0.000 0.431 359 M N 3.001 122.628 119.600 0.045 0.000 2.690 359 M HA 0.520 5.000 4.480 -0.000 0.000 0.302 359 M C 0.291 176.618 176.300 0.045 0.000 1.234 359 M CA -0.619 54.701 55.300 0.033 0.000 0.853 359 M CB 2.788 35.402 32.600 0.022 0.000 1.748 359 M HN 0.703 nan 8.290 nan 0.000 0.469 360 T N -2.416 112.160 114.554 0.037 0.000 2.816 360 T HA 0.321 4.671 4.350 -0.000 0.000 0.282 360 T C -2.175 172.549 174.700 0.041 0.000 0.993 360 T CA -1.434 60.691 62.100 0.041 0.000 0.994 360 T CB 0.342 69.231 68.868 0.034 0.000 1.025 360 T HN 0.374 nan 8.240 nan 0.000 0.529 361 P HA 0.039 nan 4.420 nan 0.000 0.225 361 P C 0.545 177.862 177.300 0.028 0.000 1.148 361 P CA 0.778 63.907 63.100 0.049 0.000 0.779 361 P CB -0.053 31.686 31.700 0.066 0.000 0.780 362 E N -0.682 119.534 120.200 0.026 0.000 2.463 362 E HA 0.209 4.559 4.350 -0.000 0.000 0.193 362 E C 0.248 176.858 176.600 0.018 0.000 1.041 362 E CA -0.099 56.313 56.400 0.021 0.000 0.879 362 E CB -0.446 29.268 29.700 0.023 0.000 0.997 362 E HN 0.036 nan 8.360 nan 0.000 0.478 363 L N 1.085 122.318 121.223 0.015 0.000 3.512 363 L HA -0.237 4.103 4.340 -0.000 0.000 0.446 363 L C -0.695 176.197 176.870 0.035 0.000 1.290 363 L CA 0.161 55.013 54.840 0.020 0.000 0.871 363 L CB -1.369 40.699 42.059 0.016 0.000 1.767 363 L HN 0.203 nan 8.230 nan 0.000 0.855 364 R N 0.634 121.152 120.500 0.030 0.000 2.514 364 R HA 0.636 4.975 4.340 -0.000 0.000 0.301 364 R C 0.028 176.340 176.300 0.021 0.000 0.962 364 R CA -0.964 55.154 56.100 0.030 0.000 0.882 364 R CB 1.695 32.011 30.300 0.027 0.000 1.143 364 R HN 0.147 nan 8.270 nan 0.000 0.452 365 I N 2.663 123.242 120.570 0.014 0.000 2.598 365 I HA -0.091 4.079 4.170 -0.000 0.000 0.284 365 I C 1.358 177.471 176.117 -0.007 0.000 1.140 365 I CA 0.755 62.048 61.300 -0.010 0.000 1.420 365 I CB 0.583 38.563 38.000 -0.033 0.000 1.387 365 I HN 0.593 nan 8.210 nan 0.000 0.553 366 E N 4.137 124.333 120.200 -0.006 0.000 2.207 366 E HA 0.120 4.470 4.350 -0.000 0.000 0.197 366 E C -0.184 176.402 176.600 -0.023 0.000 0.914 366 E CA 0.222 56.620 56.400 -0.003 0.000 0.914 366 E CB 0.436 30.146 29.700 0.017 0.000 0.893 366 E HN 0.615 nan 8.360 nan 0.000 0.479 367 Q N 0.567 120.355 119.800 -0.019 0.000 2.413 367 Q HA 0.586 4.925 4.340 -0.000 0.000 0.276 367 Q C -1.327 174.625 176.000 -0.080 0.000 1.099 367 Q CA -0.717 55.043 55.803 -0.072 0.000 0.814 367 Q CB 3.450 32.168 28.738 -0.034 0.000 1.379 367 Q HN -0.095 nan 8.270 nan 0.000 0.436 368 V N 1.859 121.654 119.914 -0.197 0.000 2.577 368 V HA 0.434 4.554 4.120 -0.000 0.000 0.303 368 V C -1.595 174.322 176.094 -0.295 0.000 1.042 368 V CA -0.771 61.441 62.300 -0.148 0.000 0.872 368 V CB 1.231 32.973 31.823 -0.136 0.000 0.998 368 V HN 0.636 nan 8.190 nan 0.000 0.423 369 Y N 2.271 122.548 120.300 -0.038 0.000 2.393 369 Y HA 0.798 5.347 4.550 -0.001 0.000 0.341 369 Y C 0.319 176.205 175.900 -0.024 0.000 0.988 369 Y CA -0.653 57.432 58.100 -0.024 0.000 1.078 369 Y CB 2.290 40.743 38.460 -0.011 0.000 1.203 369 Y HN 0.725 nan 8.280 nan 0.000 0.453 370 A N 2.797 125.680 122.820 0.106 0.000 2.343 370 A HA 0.712 5.032 4.320 -0.000 0.000 0.308 370 A C -0.061 177.564 177.584 0.068 0.000 1.092 370 A CA -1.128 50.948 52.037 0.065 0.000 0.751 370 A CB 0.480 19.486 19.000 0.011 0.000 1.203 370 A HN 0.948 nan 8.150 nan 0.000 0.452 371 R N 1.464 122.004 120.500 0.066 0.000 3.405 371 R HA -0.240 4.100 4.340 -0.000 0.000 0.258 371 R C 1.177 177.514 176.300 0.061 0.000 1.030 371 R CA 1.440 57.570 56.100 0.050 0.000 0.691 371 R CB -1.933 28.382 30.300 0.025 0.000 1.093 371 R HN 2.478 nan 8.270 nan 0.000 0.448 372 G N -0.748 108.112 108.800 0.100 0.000 2.184 372 G HA2 -0.414 3.545 3.960 -0.000 0.000 0.264 372 G HA3 -0.414 3.545 3.960 -0.000 0.000 0.264 372 G C 0.106 175.132 174.900 0.210 0.000 0.975 372 G CA 0.655 45.827 45.100 0.120 0.000 0.642 372 G HN 0.429 nan 8.290 nan 0.000 0.536 373 K N 0.225 120.723 120.400 0.164 0.000 2.159 373 K HA 0.623 4.942 4.320 -0.000 0.000 0.266 373 K C 0.014 176.628 176.600 0.024 0.000 0.975 373 K CA -1.068 55.280 56.287 0.102 0.000 0.865 373 K CB 1.000 33.513 32.500 0.022 0.000 1.087 373 K HN 0.169 nan 8.250 nan 0.000 0.446 374 L N 5.743 126.915 121.223 -0.087 0.000 2.433 374 L HA 0.061 4.401 4.340 -0.000 0.000 0.275 374 L C 0.657 177.375 176.870 -0.254 0.000 1.128 374 L CA 0.408 54.999 54.840 -0.415 0.000 0.875 374 L CB 0.542 42.383 42.059 -0.363 0.000 1.171 374 L HN 0.809 nan 8.230 nan 0.000 0.463 375 M N 4.442 123.878 119.600 -0.274 0.000 2.615 375 M HA 0.277 4.756 4.480 -0.000 0.000 0.262 375 M C -0.127 176.081 176.300 -0.153 0.000 1.198 375 M CA 0.491 55.691 55.300 -0.166 0.000 1.165 375 M CB 0.082 32.604 32.600 -0.130 0.000 1.310 375 M HN 0.334 nan 8.290 nan 0.000 0.494 376 V N 0.833 120.631 119.914 -0.193 0.000 2.760 376 V HA 0.468 4.588 4.120 -0.000 0.000 0.309 376 V C -0.654 175.346 176.094 -0.157 0.000 1.077 376 V CA -1.047 61.168 62.300 -0.142 0.000 0.910 376 V CB 3.184 34.935 31.823 -0.120 0.000 1.008 376 V HN 0.158 nan 8.190 nan 0.000 0.424 377 K N 2.271 122.608 120.400 -0.105 0.000 2.468 377 K HA 0.428 4.747 4.320 -0.000 0.000 0.252 377 K C -0.771 175.801 176.600 -0.047 0.000 0.932 377 K CA -0.516 55.721 56.287 -0.083 0.000 0.794 377 K CB 1.535 33.991 32.500 -0.074 0.000 1.241 377 K HN 0.753 nan 8.250 nan 0.000 0.428 378 D N 2.735 123.118 120.400 -0.030 0.000 2.751 378 D HA -0.192 4.448 4.640 -0.000 0.000 0.233 378 D C 0.591 176.882 176.300 -0.015 0.000 1.149 378 D CA 1.748 55.739 54.000 -0.015 0.000 0.682 378 D CB -1.160 39.634 40.800 -0.010 0.000 1.068 378 D HN 1.086 nan 8.370 nan 0.000 0.429 379 G N -0.547 108.240 108.800 -0.022 0.000 2.175 379 G HA2 -0.377 3.582 3.960 -0.000 0.000 0.265 379 G HA3 -0.377 3.582 3.960 -0.000 0.000 0.265 379 G C 0.262 175.149 174.900 -0.022 0.000 0.979 379 G CA 1.032 46.121 45.100 -0.019 0.000 0.663 379 G HN 0.500 nan 8.290 nan 0.000 0.533 380 K N 0.104 120.486 120.400 -0.030 0.000 2.378 380 K HA 0.709 5.029 4.320 -0.000 0.000 0.252 380 K C 0.441 177.015 176.600 -0.043 0.000 0.931 380 K CA -0.225 56.045 56.287 -0.028 0.000 0.794 380 K CB 1.935 34.425 32.500 -0.018 0.000 1.181 380 K HN 0.539 nan 8.250 nan 0.000 0.425 381 A N 1.218 124.014 122.820 -0.040 0.000 2.546 381 A HA 0.027 4.346 4.320 -0.000 0.000 0.243 381 A C 0.932 178.486 177.584 -0.051 0.000 1.063 381 A CA -0.111 51.894 52.037 -0.053 0.000 0.757 381 A CB -0.491 18.483 19.000 -0.044 0.000 0.991 381 A HN 1.072 nan 8.150 nan 0.000 0.503 382 C N 0.838 120.098 119.300 -0.066 0.000 3.336 382 C HA 0.575 5.035 4.460 -0.000 0.000 0.291 382 C C 0.087 175.042 174.990 -0.059 0.000 1.363 382 C CA -0.385 58.598 59.018 -0.059 0.000 1.737 382 C CB -1.534 26.167 27.740 -0.064 0.000 2.274 382 C HN 0.476 nan 8.230 nan 0.000 0.663 383 V N 2.204 122.079 119.914 -0.064 0.000 2.577 383 V HA 0.522 4.642 4.120 -0.000 0.000 0.303 383 V C -0.681 175.378 176.094 -0.058 0.000 1.042 383 V CA -0.212 62.050 62.300 -0.062 0.000 0.872 383 V CB 1.795 33.577 31.823 -0.069 0.000 0.998 383 V HN 0.349 nan 8.190 nan 0.000 0.423 384 K N 2.039 122.405 120.400 -0.056 0.000 2.400 384 K HA 0.651 4.970 4.320 -0.000 0.000 0.246 384 K C 0.263 176.825 176.600 -0.063 0.000 0.995 384 K CA -0.757 55.500 56.287 -0.050 0.000 0.840 384 K CB 2.455 34.933 32.500 -0.036 0.000 1.293 384 K HN 0.825 nan 8.250 nan 0.000 0.445 385 G N 0.179 108.949 108.800 -0.051 0.000 2.630 385 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.236 385 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.236 385 G C 0.803 175.629 174.900 -0.124 0.000 1.248 385 G CA -0.129 44.932 45.100 -0.065 0.000 0.844 385 G HN 0.527 nan 8.290 nan 0.000 0.588 386 T N 0.946 115.359 114.554 -0.235 0.000 2.685 386 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 386 T C 1.316 175.623 174.700 -0.654 0.000 1.034 386 T CA 1.791 63.586 62.100 -0.509 0.000 1.149 386 T CB -0.265 68.174 68.868 -0.716 0.000 0.860 386 T HN 0.447 nan 8.240 nan 0.000 0.449 387 F N 0.463 120.409 119.950 -0.006 0.000 2.698 387 F HA 0.339 4.866 4.527 -0.001 0.000 0.304 387 F C 0.783 176.582 175.800 -0.001 0.000 1.108 387 F CA -0.691 57.307 58.000 -0.003 0.000 1.263 387 F CB 0.280 39.279 39.000 -0.001 0.000 1.013 387 F HN -0.030 nan 8.300 nan 0.000 0.532 388 E N 1.875 122.133 120.200 0.096 0.000 2.376 388 E HA 0.150 4.500 4.350 -0.000 0.000 0.266 388 E C 0.359 176.995 176.600 0.059 0.000 1.009 388 E CA 0.273 56.714 56.400 0.069 0.000 0.902 388 E CB 0.975 30.690 29.700 0.025 0.000 0.972 388 E HN 0.213 nan 8.360 nan 0.000 0.439 389 T N 0.000 114.588 114.554 0.057 0.000 3.816 389 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 389 T CA 0.000 62.126 62.100 0.044 0.000 1.349 389 T CB 0.000 68.897 68.868 0.048 0.000 0.612 389 T HN 0.000 nan 8.240 nan 0.000 0.658