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 3oax_1_A DATA FIRST_RESID 1 DATA SEQUENCE MNGTEGPNFY VPFSNKTGVV RSPFEAPQYY LAEPWQFSML AAYMFLLIML DATA SEQUENCE GFPINFLTLY VTVQHKKLRT PLNYILLNLA VADLFMVFGG FTTTLYTSLH DATA SEQUENCE GYFVFGPTGc NLEGFFATLG GEIALWSLVV LAIERYVVVC KPMSNFRFGE DATA SEQUENCE NHAIMGVAFT WVMALACAAP PLVGWSRYIP EGMQCScGID YYTPHEETNN DATA SEQUENCE ESFVIYMFVV HFIIPLIVIF FCYGQLVFTV KEAAAQQQES ATTQKAEKEV DATA SEQUENCE TRMVIIMVIA FLICWLPYAG VAFYIFTHQG SDFGPIFMTI PAFFAKTSAV DATA SEQUENCE YNPVIYIMMN KQFRNCMVTT LCCGKNPLGD DEASTTVSKT ETSQVAPA 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 0.000 176.280 176.300 -0.033 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.607 32.600 0.012 0.000 1.302 2 N N 0.235 118.920 118.700 -0.025 0.000 2.409 2 N HA 0.111 4.848 4.740 -0.004 0.000 0.179 2 N C 0.792 176.235 175.510 -0.112 0.000 1.032 2 N CA 0.951 53.955 53.050 -0.076 0.000 0.898 2 N CB 0.819 39.261 38.487 -0.075 0.000 0.971 2 N HN 0.816 nan 8.380 nan 0.000 0.441 3 G N -1.027 107.724 108.800 -0.082 0.000 3.015 3 G HA2 0.489 4.447 3.960 -0.004 0.000 0.281 3 G HA3 0.489 4.447 3.960 -0.004 0.000 0.281 3 G C -1.275 173.481 174.900 -0.241 0.000 1.386 3 G CA -0.265 44.690 45.100 -0.241 0.000 0.959 3 G HN -0.082 nan 8.290 nan 0.000 0.522 4 T N 0.765 115.118 114.554 -0.335 0.000 2.893 4 T HA 0.376 4.723 4.350 -0.004 0.000 0.324 4 T C -0.225 174.366 174.700 -0.181 0.000 1.082 4 T CA -0.337 61.683 62.100 -0.134 0.000 0.983 4 T CB 1.166 70.061 68.868 0.044 0.000 1.005 4 T HN 0.578 nan 8.240 nan 0.000 0.475 5 E N 2.593 122.729 120.200 -0.108 0.000 2.313 5 E HA 0.523 4.871 4.350 -0.004 0.000 0.276 5 E C 0.286 176.716 176.600 -0.282 0.000 1.031 5 E CA -0.528 55.848 56.400 -0.039 0.000 0.857 5 E CB 0.565 30.368 29.700 0.171 0.000 1.040 5 E HN 0.691 nan 8.360 nan 0.000 0.408 6 G N 3.178 111.470 108.800 -0.847 0.000 2.644 6 G HA2 0.344 4.302 3.960 -0.004 0.000 0.307 6 G HA3 0.344 4.302 3.960 -0.004 0.000 0.307 6 G C -1.929 172.512 174.900 -0.766 0.000 1.250 6 G CA -1.208 43.026 45.100 -1.444 0.000 0.996 6 G HN 0.542 nan 8.290 nan 0.000 0.489 7 P HA -0.036 nan 4.420 nan 0.000 0.233 7 P C 0.560 177.762 177.300 -0.165 0.000 1.167 7 P CA 0.960 63.952 63.100 -0.180 0.000 0.770 7 P CB 0.543 32.220 31.700 -0.038 0.000 0.837 8 N N -1.848 116.767 118.700 -0.143 0.000 2.193 8 N HA 0.137 4.874 4.740 -0.004 0.000 0.210 8 N C -0.068 175.626 175.510 0.306 0.000 1.215 8 N CA -0.197 52.954 53.050 0.168 0.000 0.901 8 N CB 0.690 39.485 38.487 0.513 0.000 1.060 8 N HN 0.023 nan 8.380 nan 0.000 0.508 9 F N -2.009 118.027 119.950 0.144 0.000 2.869 9 F HA 0.515 5.040 4.527 -0.004 0.000 0.325 9 F C -1.667 174.215 175.800 0.137 0.000 1.184 9 F CA -1.245 56.809 58.000 0.090 0.000 0.951 9 F CB 1.028 40.018 39.000 -0.018 0.000 1.421 9 F HN -0.257 nan 8.300 nan 0.000 0.501 10 Y N 1.344 121.765 120.300 0.203 0.000 2.301 10 Y HA 0.586 5.134 4.550 -0.004 0.000 0.334 10 Y C -1.835 174.164 175.900 0.165 0.000 1.158 10 Y CA -1.014 57.164 58.100 0.131 0.000 1.266 10 Y CB 1.119 39.618 38.460 0.065 0.000 1.153 10 Y HN 0.634 nan 8.280 nan 0.000 0.453 11 V N 7.989 127.872 119.914 -0.051 0.000 2.488 11 V HA 0.261 4.379 4.120 -0.004 0.000 0.277 11 V C -1.758 174.274 176.094 -0.105 0.000 1.046 11 V CA -1.458 60.847 62.300 0.009 0.000 0.986 11 V CB 1.205 33.101 31.823 0.122 0.000 0.989 11 V HN 0.624 nan 8.190 nan 0.000 0.475 12 P HA 0.153 nan 4.420 nan 0.000 0.228 12 P C -0.763 176.664 177.300 0.212 0.000 1.748 12 P CA 0.343 63.550 63.100 0.179 0.000 0.909 12 P CB -0.380 31.614 31.700 0.489 0.000 1.882 13 F N -0.248 119.678 119.950 -0.040 0.000 2.641 13 F HA 0.391 4.915 4.527 -0.004 0.000 0.308 13 F C -0.368 175.417 175.800 -0.024 0.000 1.105 13 F CA -0.824 57.187 58.000 0.019 0.000 0.964 13 F CB 2.057 41.145 39.000 0.147 0.000 1.294 13 F HN -0.289 nan 8.300 nan 0.000 0.442 14 S N 2.554 117.998 115.700 -0.428 0.000 2.565 14 S HA 0.179 4.647 4.470 -0.004 0.000 0.276 14 S C 0.133 174.675 174.600 -0.097 0.000 1.326 14 S CA -0.212 57.830 58.200 -0.264 0.000 1.045 14 S CB 0.444 63.438 63.200 -0.344 0.000 0.918 14 S HN 0.685 nan 8.310 nan 0.000 0.505 15 N N 2.563 121.247 118.700 -0.027 0.000 2.321 15 N HA 0.174 4.911 4.740 -0.004 0.000 0.242 15 N C 1.087 176.584 175.510 -0.021 0.000 1.141 15 N CA -0.115 52.942 53.050 0.011 0.000 0.864 15 N CB 0.017 38.511 38.487 0.013 0.000 1.100 15 N HN 0.684 nan 8.380 nan 0.000 0.510 16 K N -0.808 119.562 120.400 -0.050 0.000 2.209 16 K HA -0.059 4.258 4.320 -0.004 0.000 0.204 16 K C 0.818 177.402 176.600 -0.028 0.000 1.048 16 K CA 1.539 57.800 56.287 -0.044 0.000 0.940 16 K CB 0.078 32.540 32.500 -0.064 0.000 0.729 16 K HN 0.317 nan 8.250 nan 0.000 0.451 17 T N -3.321 111.224 114.554 -0.016 0.000 3.122 17 T HA 0.187 4.534 4.350 -0.004 0.000 0.250 17 T C 1.055 175.745 174.700 -0.017 0.000 1.067 17 T CA 0.274 62.372 62.100 -0.002 0.000 0.966 17 T CB 0.380 69.267 68.868 0.031 0.000 1.002 17 T HN 0.288 nan 8.240 nan 0.000 0.542 18 G N 0.842 109.625 108.800 -0.028 0.000 2.296 18 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.282 18 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.282 18 G C 0.698 175.537 174.900 -0.102 0.000 1.014 18 G CA 0.412 45.482 45.100 -0.050 0.000 0.812 18 G HN 0.721 nan 8.290 nan 0.000 0.508 19 V N -0.409 119.421 119.914 -0.141 0.000 3.647 19 V HA 0.301 4.419 4.120 -0.004 0.000 0.279 19 V C 1.322 176.993 176.094 -0.704 0.000 1.314 19 V CA 0.615 62.735 62.300 -0.300 0.000 1.125 19 V CB 0.441 32.137 31.823 -0.211 0.000 0.907 19 V HN 0.250 nan 8.190 nan 0.000 0.434 20 V N 3.065 122.667 119.914 -0.520 0.000 2.530 20 V HA 0.412 4.530 4.120 -0.004 0.000 0.282 20 V C 0.359 176.249 176.094 -0.340 0.000 1.048 20 V CA -0.159 61.777 62.300 -0.606 0.000 0.997 20 V CB 1.008 32.774 31.823 -0.096 0.000 0.987 20 V HN 0.390 nan 8.190 nan 0.000 0.477 21 R N 2.489 122.837 120.500 -0.253 0.000 2.803 21 R HA 0.459 4.796 4.340 -0.004 0.000 0.276 21 R C -0.213 175.930 176.300 -0.262 0.000 0.978 21 R CA -0.651 55.345 56.100 -0.172 0.000 0.939 21 R CB 1.986 32.188 30.300 -0.163 0.000 1.179 21 R HN 0.681 nan 8.270 nan 0.000 0.472 22 S N 2.592 118.061 115.700 -0.385 0.000 2.546 22 S HA 0.038 4.506 4.470 -0.004 0.000 0.290 22 S C -1.286 172.946 174.600 -0.613 0.000 1.290 22 S CA -0.963 56.748 58.200 -0.815 0.000 1.069 22 S CB 0.442 63.395 63.200 -0.412 0.000 0.846 22 S HN 0.411 nan 8.310 nan 0.000 0.495 23 P HA 0.052 nan 4.420 nan 0.000 0.247 23 P C 0.060 177.216 177.300 -0.240 0.000 1.225 23 P CA 0.574 63.409 63.100 -0.441 0.000 0.768 23 P CB -0.146 31.289 31.700 -0.441 0.000 1.020 24 F N -0.535 119.443 119.950 0.047 0.000 2.661 24 F HA 0.316 4.841 4.527 -0.004 0.000 0.306 24 F C 1.797 177.697 175.800 0.168 0.000 1.094 24 F CA 0.007 58.145 58.000 0.229 0.000 1.254 24 F CB 0.304 39.397 39.000 0.155 0.000 1.040 24 F HN -0.099 nan 8.300 nan 0.000 0.562 25 E N -0.426 119.773 120.200 -0.001 0.000 2.489 25 E HA 0.515 4.863 4.350 -0.004 0.000 0.208 25 E C 0.302 176.509 176.600 -0.655 0.000 0.814 25 E CA 0.110 56.407 56.400 -0.172 0.000 1.348 25 E CB 0.982 30.631 29.700 -0.085 0.000 1.334 25 E HN 0.082 nan 8.360 nan 0.000 0.672 26 A N 1.297 123.551 122.820 -0.943 0.000 2.594 26 A HA 0.622 4.939 4.320 -0.004 0.000 0.291 26 A C -2.868 174.105 177.584 -1.018 0.000 1.105 26 A CA -1.555 49.895 52.037 -0.978 0.000 0.694 26 A CB 1.004 19.739 19.000 -0.442 0.000 1.291 26 A HN -0.209 nan 8.150 nan 0.000 0.410 27 P HA 0.125 nan 4.420 nan 0.000 0.270 27 P C -0.288 176.622 177.300 -0.651 0.000 1.227 27 P CA 0.216 62.900 63.100 -0.693 0.000 0.788 27 P CB 0.418 31.562 31.700 -0.927 0.000 0.926 28 Q N 0.493 119.778 119.800 -0.858 0.000 2.172 28 Q HA 0.102 4.440 4.340 -0.004 0.000 0.217 28 Q C 0.591 176.121 176.000 -0.784 0.000 0.832 28 Q CA -0.039 55.290 55.803 -0.790 0.000 1.010 28 Q CB -0.017 28.447 28.738 -0.457 0.000 1.133 28 Q HN 0.517 nan 8.270 nan 0.000 0.489 29 Y N -0.032 119.912 120.300 -0.594 0.000 2.538 29 Y HA -0.240 4.308 4.550 -0.003 0.000 0.287 29 Y C 1.867 177.629 175.900 -0.231 0.000 1.157 29 Y CA 0.643 58.523 58.100 -0.368 0.000 1.338 29 Y CB -1.130 37.148 38.460 -0.303 0.000 0.970 29 Y HN 0.347 nan 8.280 nan 0.000 0.564 30 Y N -2.792 117.455 120.300 -0.088 0.000 2.561 30 Y HA 0.148 4.696 4.550 -0.004 0.000 0.291 30 Y C 1.492 177.165 175.900 -0.378 0.000 1.141 30 Y CA 0.187 58.173 58.100 -0.190 0.000 1.303 30 Y CB -1.071 37.241 38.460 -0.248 0.000 1.015 30 Y HN 0.066 nan 8.280 nan 0.000 0.547 31 L N 0.174 120.934 121.223 -0.771 0.000 2.307 31 L HA 0.415 4.753 4.340 -0.004 0.000 0.211 31 L C 1.065 177.815 176.870 -0.200 0.000 1.099 31 L CA 0.458 54.951 54.840 -0.579 0.000 0.816 31 L CB -0.077 41.686 42.059 -0.493 0.000 0.952 31 L HN 0.369 nan 8.230 nan 0.000 0.455 32 A N -1.405 121.369 122.820 -0.076 0.000 2.564 32 A HA 0.499 4.817 4.320 -0.004 0.000 0.291 32 A C -1.155 176.431 177.584 0.003 0.000 1.102 32 A CA -0.738 51.255 52.037 -0.072 0.000 0.660 32 A CB 0.816 19.666 19.000 -0.251 0.000 1.283 32 A HN -0.131 nan 8.150 nan 0.000 0.430 33 E N 0.356 120.460 120.200 -0.160 0.000 2.392 33 E HA 0.208 4.555 4.350 -0.004 0.000 0.264 33 E C -1.781 174.723 176.600 -0.160 0.000 1.024 33 E CA -1.644 54.654 56.400 -0.170 0.000 0.903 33 E CB 0.366 29.870 29.700 -0.327 0.000 0.963 33 E HN 0.242 nan 8.360 nan 0.000 0.432 34 P HA -0.116 nan 4.420 nan 0.000 0.222 34 P C 1.236 178.487 177.300 -0.083 0.000 1.147 34 P CA 1.048 63.988 63.100 -0.267 0.000 0.790 34 P CB -0.026 31.348 31.700 -0.543 0.000 0.780 35 W N 0.044 121.307 121.300 -0.061 0.000 2.467 35 W HA -0.031 4.627 4.660 -0.003 0.000 0.275 35 W C 1.108 177.599 176.519 -0.047 0.000 1.239 35 W CA 0.564 57.873 57.345 -0.059 0.000 1.266 35 W CB -1.383 28.037 29.460 -0.066 0.000 1.112 35 W HN 0.079 nan 8.180 nan 0.000 0.576 36 Q N 0.116 119.389 119.800 -0.879 0.000 2.167 36 Q HA -0.115 4.223 4.340 -0.004 0.000 0.202 36 Q C 2.024 177.712 176.000 -0.520 0.000 0.970 36 Q CA 1.560 56.791 55.803 -0.953 0.000 0.855 36 Q CB -0.608 27.406 28.738 -1.206 0.000 0.911 36 Q HN 0.252 nan 8.270 nan 0.000 0.438 37 F N 0.471 120.240 119.950 -0.302 0.000 2.259 37 F HA -0.094 4.430 4.527 -0.005 0.000 0.298 37 F C 2.438 178.162 175.800 -0.127 0.000 1.088 37 F CA 0.846 58.743 58.000 -0.171 0.000 1.358 37 F CB -0.016 38.986 39.000 0.003 0.000 1.040 37 F HN -0.079 nan 8.300 nan 0.000 0.505 38 S N -0.256 115.489 115.700 0.076 0.000 2.402 38 S HA -0.152 4.315 4.470 -0.004 0.000 0.229 38 S C 2.153 176.773 174.600 0.034 0.000 1.021 38 S CA 0.838 59.067 58.200 0.048 0.000 0.974 38 S CB -0.207 63.030 63.200 0.061 0.000 0.800 38 S HN 0.233 nan 8.310 nan 0.000 0.484 39 M N 1.095 120.698 119.600 0.005 0.000 2.065 39 M HA -0.062 4.416 4.480 -0.004 0.000 0.259 39 M C 2.084 178.368 176.300 -0.027 0.000 1.069 39 M CA 1.443 56.742 55.300 -0.002 0.000 1.110 39 M CB -1.240 31.314 32.600 -0.078 0.000 1.328 39 M HN 0.322 nan 8.290 nan 0.000 0.405 40 L N -0.372 120.760 121.223 -0.152 0.000 2.042 40 L HA -0.209 4.128 4.340 -0.004 0.000 0.210 40 L C 2.761 179.698 176.870 0.111 0.000 1.076 40 L CA 1.367 56.112 54.840 -0.158 0.000 0.749 40 L CB -1.044 40.752 42.059 -0.438 0.000 0.893 40 L HN 0.292 nan 8.230 nan 0.000 0.432 41 A N 0.042 122.908 122.820 0.076 0.000 1.873 41 A HA -0.141 4.177 4.320 -0.004 0.000 0.215 41 A C 2.561 180.230 177.584 0.142 0.000 1.186 41 A CA 1.706 53.804 52.037 0.103 0.000 0.616 41 A CB -0.733 18.290 19.000 0.037 0.000 0.823 41 A HN 0.394 nan 8.150 nan 0.000 0.442 42 A N -1.325 121.564 122.820 0.115 0.000 1.883 42 A HA -0.144 4.174 4.320 -0.004 0.000 0.217 42 A C 2.156 179.889 177.584 0.248 0.000 1.186 42 A CA 1.815 53.932 52.037 0.134 0.000 0.624 42 A CB -0.927 18.125 19.000 0.087 0.000 0.822 42 A HN 0.759 nan 8.150 nan 0.000 0.444 43 Y N 0.094 120.449 120.300 0.093 0.000 2.097 43 Y HA -0.260 4.287 4.550 -0.004 0.000 0.282 43 Y C 2.300 178.261 175.900 0.102 0.000 1.152 43 Y CA 2.278 60.434 58.100 0.093 0.000 1.136 43 Y CB -0.319 38.180 38.460 0.065 0.000 0.975 43 Y HN 0.233 nan 8.280 nan 0.000 0.498 44 M N -0.892 118.737 119.600 0.049 0.000 2.159 44 M HA -0.173 4.304 4.480 -0.004 0.000 0.263 44 M C 2.204 178.492 176.300 -0.021 0.000 1.063 44 M CA 1.286 56.515 55.300 -0.119 0.000 1.110 44 M CB -1.821 30.785 32.600 0.010 0.000 1.374 44 M HN 0.454 nan 8.290 nan 0.000 0.411 45 F N 1.439 121.372 119.950 -0.029 0.000 2.069 45 F HA -0.237 4.288 4.527 -0.004 0.000 0.298 45 F C 2.060 177.849 175.800 -0.019 0.000 1.113 45 F CA 1.727 59.725 58.000 -0.004 0.000 1.214 45 F CB -0.402 38.610 39.000 0.020 0.000 0.978 45 F HN 0.022 nan 8.300 nan 0.000 0.474 46 L N -0.219 121.086 121.223 0.136 0.000 2.083 46 L HA -0.254 4.084 4.340 -0.004 0.000 0.209 46 L C 2.563 179.371 176.870 -0.104 0.000 1.083 46 L CA 1.133 55.989 54.840 0.026 0.000 0.752 46 L CB -0.852 41.277 42.059 0.118 0.000 0.899 46 L HN 0.271 nan 8.230 nan 0.000 0.433 47 L N -0.375 120.735 121.223 -0.188 0.000 2.046 47 L HA -0.229 4.108 4.340 -0.004 0.000 0.208 47 L C 2.515 179.350 176.870 -0.059 0.000 1.077 47 L CA 1.362 56.097 54.840 -0.174 0.000 0.747 47 L CB -0.294 41.553 42.059 -0.353 0.000 0.896 47 L HN 0.254 nan 8.230 nan 0.000 0.432 48 I N -0.731 119.786 120.570 -0.089 0.000 2.252 48 I HA -0.348 3.819 4.170 -0.004 0.000 0.245 48 I C 2.588 178.614 176.117 -0.152 0.000 1.102 48 I CA 1.393 62.625 61.300 -0.114 0.000 1.385 48 I CB -0.174 37.723 38.000 -0.171 0.000 1.064 48 I HN 0.331 nan 8.210 nan 0.000 0.414 49 M N 0.377 119.831 119.600 -0.242 0.000 2.296 49 M HA -0.177 4.300 4.480 -0.004 0.000 0.265 49 M C 2.040 178.302 176.300 -0.064 0.000 1.064 49 M CA 1.707 56.892 55.300 -0.191 0.000 1.109 49 M CB 0.191 32.600 32.600 -0.318 0.000 1.396 49 M HN 0.197 nan 8.290 nan 0.000 0.430 50 L N -1.426 119.763 121.223 -0.056 0.000 2.145 50 L HA 0.104 4.441 4.340 -0.004 0.000 0.201 50 L C 2.548 179.409 176.870 -0.016 0.000 1.075 50 L CA 0.921 55.748 54.840 -0.022 0.000 0.773 50 L CB -0.935 41.118 42.059 -0.011 0.000 0.936 50 L HN 0.380 nan 8.230 nan 0.000 0.451 51 G N -0.100 108.691 108.800 -0.016 0.000 2.418 51 G HA2 -0.335 3.622 3.960 -0.004 0.000 0.217 51 G HA3 -0.335 3.622 3.960 -0.004 0.000 0.217 51 G C 1.440 176.333 174.900 -0.013 0.000 1.158 51 G CA 0.719 45.804 45.100 -0.025 0.000 0.771 51 G HN 0.256 nan 8.290 nan 0.000 0.545 52 F N 3.379 123.235 119.950 -0.157 0.000 2.014 52 F HA -0.015 4.510 4.527 -0.004 0.000 0.295 52 F C 0.263 176.088 175.800 0.042 0.000 1.145 52 F CA 1.333 59.269 58.000 -0.107 0.000 1.178 52 F CB -1.170 37.747 39.000 -0.139 0.000 0.972 52 F HN 0.119 nan 8.300 nan 0.000 0.476 53 P HA -0.187 nan 4.420 nan 0.000 0.216 53 P C 2.220 179.400 177.300 -0.201 0.000 1.150 53 P CA 2.031 64.845 63.100 -0.477 0.000 0.837 53 P CB -0.280 31.284 31.700 -0.228 0.000 0.786 54 I N -0.215 120.293 120.570 -0.104 0.000 2.252 54 I HA -0.181 3.987 4.170 -0.004 0.000 0.245 54 I C 2.406 178.513 176.117 -0.016 0.000 1.102 54 I CA 1.213 62.492 61.300 -0.036 0.000 1.385 54 I CB -0.606 37.388 38.000 -0.009 0.000 1.064 54 I HN -0.035 nan 8.210 nan 0.000 0.414 55 N N 0.475 119.160 118.700 -0.025 0.000 2.207 55 N HA -0.130 4.608 4.740 -0.004 0.000 0.182 55 N C 1.850 177.370 175.510 0.016 0.000 1.020 55 N CA 1.064 54.116 53.050 0.003 0.000 0.858 55 N CB -0.220 38.271 38.487 0.006 0.000 0.991 55 N HN 0.204 nan 8.380 nan 0.000 0.427 56 F N 2.346 122.202 119.950 -0.157 0.000 2.134 56 F HA -0.061 4.464 4.527 -0.004 0.000 0.299 56 F C 2.275 178.041 175.800 -0.058 0.000 1.097 56 F CA 0.893 58.810 58.000 -0.139 0.000 1.264 56 F CB -0.468 38.287 39.000 -0.408 0.000 1.001 56 F HN -0.060 nan 8.300 nan 0.000 0.479 57 L N -0.532 120.633 121.223 -0.098 0.000 2.046 57 L HA -0.244 4.094 4.340 -0.004 0.000 0.208 57 L C 2.243 179.095 176.870 -0.029 0.000 1.077 57 L CA 2.040 56.817 54.840 -0.105 0.000 0.747 57 L CB -0.743 41.282 42.059 -0.057 0.000 0.896 57 L HN 0.176 nan 8.230 nan 0.000 0.432 58 T N 0.186 114.774 114.554 0.058 0.000 2.788 58 T HA -0.212 4.135 4.350 -0.004 0.000 0.268 58 T C 1.677 176.461 174.700 0.140 0.000 1.044 58 T CA 1.566 63.809 62.100 0.239 0.000 1.139 58 T CB -0.240 68.730 68.868 0.170 0.000 0.867 58 T HN 0.250 nan 8.240 nan 0.000 0.454 59 L N 0.119 121.319 121.223 -0.038 0.000 2.027 59 L HA 0.021 4.359 4.340 -0.004 0.000 0.206 59 L C 2.115 178.892 176.870 -0.155 0.000 1.074 59 L CA 1.662 56.436 54.840 -0.109 0.000 0.745 59 L CB -0.890 41.062 42.059 -0.177 0.000 0.898 59 L HN 0.243 nan 8.230 nan 0.000 0.433 60 Y N -0.615 119.433 120.300 -0.420 0.000 2.145 60 Y HA -0.207 4.341 4.550 -0.004 0.000 0.286 60 Y C 2.375 178.155 175.900 -0.199 0.000 1.145 60 Y CA 2.242 60.116 58.100 -0.378 0.000 1.148 60 Y CB -0.401 37.751 38.460 -0.513 0.000 0.981 60 Y HN 0.022 nan 8.280 nan 0.000 0.507 61 V N -0.608 119.328 119.914 0.036 0.000 2.343 61 V HA -0.325 3.792 4.120 -0.004 0.000 0.247 61 V C 2.224 178.221 176.094 -0.163 0.000 1.051 61 V CA 2.401 64.599 62.300 -0.170 0.000 1.036 61 V CB -1.099 30.477 31.823 -0.412 0.000 0.654 61 V HN 0.476 nan 8.190 nan 0.000 0.451 62 T N -0.172 114.413 114.554 0.052 0.000 2.746 62 T HA -0.157 4.191 4.350 -0.004 0.000 0.267 62 T C 1.916 176.591 174.700 -0.041 0.000 1.039 62 T CA 1.630 63.773 62.100 0.072 0.000 1.142 62 T CB -0.177 68.728 68.868 0.061 0.000 0.866 62 T HN 0.293 nan 8.240 nan 0.000 0.444 63 V N 1.341 121.190 119.914 -0.108 0.000 2.323 63 V HA -0.134 3.983 4.120 -0.004 0.000 0.244 63 V C 2.600 178.625 176.094 -0.115 0.000 1.041 63 V CA 1.610 63.828 62.300 -0.138 0.000 1.025 63 V CB -0.607 31.095 31.823 -0.202 0.000 0.656 63 V HN 0.475 nan 8.190 nan 0.000 0.451 64 Q N -0.387 119.327 119.800 -0.144 0.000 2.291 64 Q HA -0.155 4.182 4.340 -0.004 0.000 0.206 64 Q C 0.493 176.596 176.000 0.172 0.000 0.976 64 Q CA 1.076 56.862 55.803 -0.027 0.000 0.875 64 Q CB 0.010 28.748 28.738 -0.000 0.000 0.927 64 Q HN 0.718 nan 8.270 nan 0.000 0.450 65 H N 0.156 119.175 119.070 -0.085 0.000 2.691 65 H HA 0.109 4.662 4.556 -0.004 0.000 0.281 65 H C 0.226 175.529 175.328 -0.041 0.000 1.121 65 H CA -0.747 55.269 56.048 -0.053 0.000 1.254 65 H CB 1.314 31.051 29.762 -0.042 0.000 1.390 65 H HN 0.040 nan 8.280 nan 0.000 0.491 66 K N 1.509 121.928 120.400 0.032 0.000 2.077 66 K HA -0.183 4.134 4.320 -0.004 0.000 0.213 66 K C 1.629 178.247 176.600 0.029 0.000 1.051 66 K CA 1.318 57.612 56.287 0.012 0.000 0.929 66 K CB 0.115 32.610 32.500 -0.009 0.000 0.715 66 K HN 0.371 nan 8.250 nan 0.000 0.451 67 K N 0.399 120.823 120.400 0.039 0.000 2.525 67 K HA 0.022 4.339 4.320 -0.004 0.000 0.192 67 K C 0.153 176.794 176.600 0.067 0.000 1.029 67 K CA 0.349 56.664 56.287 0.047 0.000 1.029 67 K CB 0.041 32.564 32.500 0.038 0.000 0.814 67 K HN 0.210 nan 8.250 nan 0.000 0.503 68 L N 2.605 123.875 121.223 0.078 0.000 2.399 68 L HA 0.104 4.441 4.340 -0.004 0.000 0.257 68 L C 0.524 177.397 176.870 0.005 0.000 1.236 68 L CA -0.020 54.869 54.840 0.081 0.000 1.144 68 L CB 0.065 42.196 42.059 0.121 0.000 1.379 68 L HN -0.106 nan 8.230 nan 0.000 0.414 69 R N 0.140 120.668 120.500 0.046 0.000 2.642 69 R HA 0.154 4.492 4.340 -0.004 0.000 0.435 69 R C 0.539 176.990 176.300 0.251 0.000 1.046 69 R CA -0.127 56.025 56.100 0.086 0.000 1.103 69 R CB 0.279 30.669 30.300 0.149 0.000 1.425 69 R HN 0.414 nan 8.270 nan 0.000 0.586 70 T N -2.275 112.386 114.554 0.179 0.000 2.754 70 T HA 0.260 4.608 4.350 -0.004 0.000 0.286 70 T C -1.668 173.189 174.700 0.261 0.000 0.997 70 T CA -1.190 61.020 62.100 0.184 0.000 0.982 70 T CB 1.469 70.414 68.868 0.128 0.000 1.027 70 T HN -0.194 nan 8.240 nan 0.000 0.529 71 P HA 0.030 nan 4.420 nan 0.000 0.219 71 P C 1.637 178.996 177.300 0.099 0.000 1.150 71 P CA 0.167 63.333 63.100 0.109 0.000 0.814 71 P CB -0.050 31.615 31.700 -0.059 0.000 0.787 72 L N -0.136 121.123 121.223 0.060 0.000 2.056 72 L HA -0.097 4.240 4.340 -0.004 0.000 0.207 72 L C 1.682 178.511 176.870 -0.068 0.000 1.078 72 L CA 1.952 56.786 54.840 -0.011 0.000 0.749 72 L CB -1.250 40.821 42.059 0.021 0.000 0.901 72 L HN -0.102 nan 8.230 nan 0.000 0.433 73 N N -1.428 117.281 118.700 0.015 0.000 2.309 73 N HA -0.199 4.538 4.740 -0.004 0.000 0.182 73 N C 1.744 177.173 175.510 -0.136 0.000 1.018 73 N CA 1.384 54.408 53.050 -0.043 0.000 0.876 73 N CB -0.316 38.177 38.487 0.010 0.000 0.972 73 N HN 0.450 nan 8.380 nan 0.000 0.434 74 Y N 1.132 121.405 120.300 -0.045 0.000 2.206 74 Y HA 0.040 4.588 4.550 -0.004 0.000 0.292 74 Y C 2.327 178.195 175.900 -0.052 0.000 1.123 74 Y CA 0.514 58.598 58.100 -0.027 0.000 1.142 74 Y CB -0.160 38.298 38.460 -0.003 0.000 1.006 74 Y HN -0.066 nan 8.280 nan 0.000 0.518 75 I N -0.221 120.396 120.570 0.079 0.000 2.208 75 I HA -0.297 3.870 4.170 -0.004 0.000 0.245 75 I C 2.117 178.166 176.117 -0.113 0.000 1.097 75 I CA 1.695 62.992 61.300 -0.005 0.000 1.363 75 I CB -1.226 36.747 38.000 -0.045 0.000 1.051 75 I HN 0.276 nan 8.210 nan 0.000 0.413 76 L N -0.474 120.583 121.223 -0.276 0.000 2.156 76 L HA -0.160 4.177 4.340 -0.004 0.000 0.208 76 L C 2.386 179.103 176.870 -0.255 0.000 1.095 76 L CA 0.476 55.057 54.840 -0.431 0.000 0.770 76 L CB -0.434 40.990 42.059 -1.057 0.000 0.914 76 L HN 0.181 nan 8.230 nan 0.000 0.439 77 L N 0.203 121.325 121.223 -0.169 0.000 2.056 77 L HA -0.206 4.132 4.340 -0.004 0.000 0.207 77 L C 2.192 179.066 176.870 0.007 0.000 1.078 77 L CA 1.863 56.656 54.840 -0.078 0.000 0.749 77 L CB -0.839 41.167 42.059 -0.088 0.000 0.901 77 L HN 0.312 nan 8.230 nan 0.000 0.433 78 N N -0.797 117.938 118.700 0.059 0.000 2.120 78 N HA -0.205 4.533 4.740 -0.004 0.000 0.188 78 N C 1.705 177.287 175.510 0.122 0.000 1.024 78 N CA 1.585 54.739 53.050 0.173 0.000 0.852 78 N CB -0.255 38.361 38.487 0.214 0.000 1.003 78 N HN 0.266 nan 8.380 nan 0.000 0.424 79 L N 0.709 121.933 121.223 0.001 0.000 2.017 79 L HA 0.042 4.380 4.340 -0.004 0.000 0.208 79 L C 2.408 179.260 176.870 -0.031 0.000 1.073 79 L CA 1.783 56.593 54.840 -0.050 0.000 0.745 79 L CB -1.814 40.166 42.059 -0.131 0.000 0.894 79 L HN 0.293 nan 8.230 nan 0.000 0.432 80 A N -0.955 121.843 122.820 -0.037 0.000 1.940 80 A HA -0.155 4.162 4.320 -0.004 0.000 0.219 80 A C 2.436 180.039 177.584 0.032 0.000 1.176 80 A CA 1.837 53.864 52.037 -0.017 0.000 0.631 80 A CB -0.788 18.201 19.000 -0.018 0.000 0.814 80 A HN 0.237 nan 8.150 nan 0.000 0.446 81 V N -0.180 119.785 119.914 0.086 0.000 2.295 81 V HA -0.257 3.861 4.120 -0.004 0.000 0.246 81 V C 3.070 179.309 176.094 0.241 0.000 1.049 81 V CA 1.996 64.382 62.300 0.144 0.000 1.024 81 V CB -1.316 30.664 31.823 0.261 0.000 0.648 81 V HN 0.618 nan 8.190 nan 0.000 0.447 82 A N -0.019 122.974 122.820 0.288 0.000 1.908 82 A HA -0.265 4.053 4.320 -0.004 0.000 0.218 82 A C 1.966 179.624 177.584 0.123 0.000 1.181 82 A CA 2.101 54.290 52.037 0.254 0.000 0.627 82 A CB -0.659 18.333 19.000 -0.013 0.000 0.818 82 A HN 0.560 nan 8.150 nan 0.000 0.445 83 D N 0.019 120.426 120.400 0.013 0.000 2.144 83 D HA -0.102 4.536 4.640 -0.004 0.000 0.199 83 D C 1.882 178.108 176.300 -0.124 0.000 0.984 83 D CA 0.951 54.899 54.000 -0.087 0.000 0.834 83 D CB -0.347 40.395 40.800 -0.096 0.000 0.955 83 D HN 0.466 nan 8.370 nan 0.000 0.465 84 L N -0.458 120.737 121.223 -0.046 0.000 2.141 84 L HA -0.121 4.217 4.340 -0.004 0.000 0.209 84 L C 2.195 179.016 176.870 -0.083 0.000 1.094 84 L CA 0.592 55.412 54.840 -0.035 0.000 0.763 84 L CB -0.266 41.828 42.059 0.059 0.000 0.908 84 L HN -0.058 nan 8.230 nan 0.000 0.437 85 F N -0.514 119.419 119.950 -0.029 0.000 2.234 85 F HA -0.163 4.362 4.527 -0.004 0.000 0.299 85 F C 2.458 178.002 175.800 -0.426 0.000 1.087 85 F CA 1.186 59.081 58.000 -0.175 0.000 1.340 85 F CB -0.424 38.608 39.000 0.054 0.000 1.031 85 F HN -0.008 nan 8.300 nan 0.000 0.500 86 M N -0.904 118.593 119.600 -0.172 0.000 2.077 86 M HA -0.192 4.285 4.480 -0.004 0.000 0.261 86 M C 2.218 177.991 176.300 -0.879 0.000 1.070 86 M CA 1.366 56.385 55.300 -0.468 0.000 1.125 86 M CB -0.646 31.612 32.600 -0.570 0.000 1.339 86 M HN -0.059 nan 8.290 nan 0.000 0.409 87 V N -0.031 119.367 119.914 -0.860 0.000 2.233 87 V HA -0.271 3.847 4.120 -0.004 0.000 0.247 87 V C 2.046 177.802 176.094 -0.563 0.000 1.050 87 V CA 2.066 63.884 62.300 -0.804 0.000 1.010 87 V CB -0.721 30.674 31.823 -0.712 0.000 0.637 87 V HN 0.289 nan 8.190 nan 0.000 0.444 88 F N 0.772 120.576 119.950 -0.244 0.000 2.387 88 F HA 0.223 4.747 4.527 -0.004 0.000 0.294 88 F C 2.287 177.941 175.800 -0.244 0.000 1.093 88 F CA 0.857 58.737 58.000 -0.201 0.000 1.420 88 F CB -1.158 37.715 39.000 -0.212 0.000 1.086 88 F HN 0.154 nan 8.300 nan 0.000 0.531 89 G N -0.486 108.119 108.800 -0.325 0.000 2.394 89 G HA2 0.018 3.975 3.960 -0.004 0.000 0.214 89 G HA3 0.018 3.975 3.960 -0.004 0.000 0.214 89 G C 1.899 176.703 174.900 -0.160 0.000 1.176 89 G CA 0.931 45.540 45.100 -0.818 0.000 0.786 89 G HN 0.481 nan 8.290 nan 0.000 0.533 90 G N -0.541 108.264 108.800 0.009 0.000 2.798 90 G HA2 0.180 4.137 3.960 -0.004 0.000 0.200 90 G HA3 0.180 4.137 3.960 -0.004 0.000 0.200 90 G C 1.410 176.537 174.900 0.378 0.000 1.092 90 G CA 0.084 45.373 45.100 0.314 0.000 0.800 90 G HN 0.160 nan 8.290 nan 0.000 0.566 91 F N 3.058 123.012 119.950 0.006 0.000 2.250 91 F HA -0.082 4.442 4.527 -0.004 0.000 0.301 91 F C 3.100 178.915 175.800 0.026 0.000 1.077 91 F CA 1.312 59.297 58.000 -0.025 0.000 1.348 91 F CB -1.167 37.763 39.000 -0.117 0.000 1.040 91 F HN 0.254 nan 8.300 nan 0.000 0.509 92 T N -3.984 110.709 114.554 0.232 0.000 2.821 92 T HA -0.150 4.197 4.350 -0.004 0.000 0.267 92 T C 1.942 176.808 174.700 0.276 0.000 1.046 92 T CA 1.894 64.116 62.100 0.204 0.000 1.139 92 T CB -0.868 68.100 68.868 0.166 0.000 0.871 92 T HN 0.169 nan 8.240 nan 0.000 0.454 93 T N 1.500 116.240 114.554 0.310 0.000 2.851 93 T HA -0.019 4.329 4.350 -0.004 0.000 0.262 93 T C 2.248 177.134 174.700 0.311 0.000 1.043 93 T CA 1.610 63.952 62.100 0.404 0.000 1.140 93 T CB -0.752 68.393 68.868 0.461 0.000 0.872 93 T HN 0.644 nan 8.240 nan 0.000 0.446 94 T N 1.727 116.425 114.554 0.240 0.000 2.881 94 T HA -0.071 4.277 4.350 -0.004 0.000 0.270 94 T C 1.930 176.704 174.700 0.123 0.000 1.068 94 T CA 0.953 63.129 62.100 0.126 0.000 1.131 94 T CB -0.354 68.527 68.868 0.022 0.000 0.871 94 T HN 0.192 nan 8.240 nan 0.000 0.479 95 L N -0.229 121.090 121.223 0.160 0.000 2.131 95 L HA 0.181 4.519 4.340 -0.004 0.000 0.206 95 L C 2.084 179.037 176.870 0.137 0.000 1.087 95 L CA 1.668 56.600 54.840 0.154 0.000 0.767 95 L CB -1.184 40.981 42.059 0.177 0.000 0.917 95 L HN 0.372 nan 8.230 nan 0.000 0.441 96 Y N 0.193 120.533 120.300 0.067 0.000 2.242 96 Y HA -0.190 4.358 4.550 -0.004 0.000 0.291 96 Y C 2.357 178.235 175.900 -0.035 0.000 1.137 96 Y CA 2.180 60.304 58.100 0.040 0.000 1.181 96 Y CB -0.528 38.006 38.460 0.122 0.000 0.989 96 Y HN 0.221 nan 8.280 nan 0.000 0.527 97 T N -0.898 113.630 114.554 -0.045 0.000 2.701 97 T HA -0.166 4.182 4.350 -0.004 0.000 0.263 97 T C 2.109 176.667 174.700 -0.236 0.000 1.040 97 T CA 1.739 63.659 62.100 -0.300 0.000 1.147 97 T CB -0.491 68.015 68.868 -0.603 0.000 0.865 97 T HN 0.289 nan 8.240 nan 0.000 0.426 98 S N 1.428 117.076 115.700 -0.087 0.000 2.383 98 S HA -0.009 4.458 4.470 -0.004 0.000 0.229 98 S C 1.990 176.570 174.600 -0.032 0.000 1.030 98 S CA 0.867 59.089 58.200 0.037 0.000 1.002 98 S CB -0.509 62.750 63.200 0.099 0.000 0.829 98 S HN 0.335 nan 8.310 nan 0.000 0.467 99 L N 0.349 121.448 121.223 -0.206 0.000 2.201 99 L HA -0.095 4.243 4.340 -0.004 0.000 0.212 99 L C 1.857 178.409 176.870 -0.531 0.000 1.105 99 L CA 1.036 55.649 54.840 -0.379 0.000 0.775 99 L CB -0.333 41.389 42.059 -0.562 0.000 0.913 99 L HN 0.431 nan 8.230 nan 0.000 0.440 100 H N -1.232 117.657 119.070 -0.302 0.000 2.652 100 H HA 0.219 4.773 4.556 -0.004 0.000 0.274 100 H C 1.560 176.706 175.328 -0.304 0.000 1.021 100 H CA 0.776 56.637 56.048 -0.312 0.000 1.187 100 H CB 0.848 30.269 29.762 -0.569 0.000 1.505 100 H HN 0.327 nan 8.280 nan 0.000 0.530 101 G N 1.301 109.939 108.800 -0.271 0.000 2.153 101 G HA2 -0.292 3.665 3.960 -0.004 0.000 0.252 101 G HA3 -0.292 3.665 3.960 -0.004 0.000 0.252 101 G C -0.168 174.544 174.900 -0.313 0.000 0.994 101 G CA 0.907 45.613 45.100 -0.657 0.000 0.698 101 G HN 0.632 nan 8.290 nan 0.000 0.521 102 Y N -4.306 115.798 120.300 -0.327 0.000 2.889 102 Y HA 0.561 5.108 4.550 -0.004 0.000 0.379 102 Y C -1.015 174.766 175.900 -0.199 0.000 1.179 102 Y CA -2.977 54.977 58.100 -0.243 0.000 1.178 102 Y CB 0.101 38.420 38.460 -0.234 0.000 1.460 102 Y HN 0.123 nan 8.280 nan 0.000 0.472 103 F N 3.209 123.123 119.950 -0.061 0.000 2.600 103 F HA 0.287 4.812 4.527 -0.004 0.000 0.345 103 F C 1.608 177.323 175.800 -0.141 0.000 1.271 103 F CA 0.366 58.362 58.000 -0.007 0.000 1.138 103 F CB 0.869 40.064 39.000 0.325 0.000 1.449 103 F HN 0.646 nan 8.300 nan 0.000 0.645 104 V N 1.388 120.955 119.914 -0.578 0.000 2.594 104 V HA -0.235 3.883 4.120 -0.004 0.000 0.253 104 V C 1.632 177.729 176.094 0.005 0.000 1.069 104 V CA 1.684 63.702 62.300 -0.471 0.000 1.082 104 V CB -0.770 30.605 31.823 -0.747 0.000 0.680 104 V HN 0.448 nan 8.190 nan 0.000 0.469 105 F N 2.585 122.668 119.950 0.223 0.000 2.754 105 F HA 0.592 5.117 4.527 -0.004 0.000 0.303 105 F C 1.812 177.730 175.800 0.197 0.000 1.196 105 F CA -0.132 57.987 58.000 0.199 0.000 1.416 105 F CB -1.144 37.974 39.000 0.196 0.000 1.092 105 F HN 0.503 nan 8.300 nan 0.000 0.541 106 G N 1.725 110.781 108.800 0.427 0.000 2.622 106 G HA2 -0.290 3.668 3.960 -0.004 0.000 0.272 106 G HA3 -0.290 3.668 3.960 -0.004 0.000 0.272 106 G C -1.274 173.575 174.900 -0.085 0.000 1.308 106 G CA -0.181 45.035 45.100 0.193 0.000 0.919 106 G HN 0.177 nan 8.290 nan 0.000 0.565 107 P HA -0.115 nan 4.420 nan 0.000 0.220 107 P C 1.721 178.944 177.300 -0.128 0.000 1.144 107 P CA 2.402 65.202 63.100 -0.499 0.000 0.800 107 P CB -0.326 31.065 31.700 -0.514 0.000 0.772 108 T N -0.421 114.109 114.554 -0.039 0.000 2.737 108 T HA -0.051 4.297 4.350 -0.004 0.000 0.265 108 T C 2.187 176.948 174.700 0.101 0.000 1.038 108 T CA 1.727 63.838 62.100 0.017 0.000 1.144 108 T CB -1.168 67.706 68.868 0.009 0.000 0.866 108 T HN 0.186 nan 8.240 nan 0.000 0.434 109 G N 0.079 109.030 108.800 0.252 0.000 2.432 109 G HA2 -0.255 3.702 3.960 -0.004 0.000 0.219 109 G HA3 -0.255 3.702 3.960 -0.004 0.000 0.219 109 G C 1.963 177.070 174.900 0.345 0.000 1.135 109 G CA 0.985 46.358 45.100 0.455 0.000 0.767 109 G HN 0.578 nan 8.290 nan 0.000 0.550 110 c N 0.587 119.189 118.600 0.004 0.000 2.440 110 c HA 0.007 4.575 4.570 -0.004 0.000 0.278 110 c C 2.737 176.782 174.090 -0.075 0.000 1.295 110 c CA 1.142 57.270 56.329 -0.335 0.000 1.738 110 c CB -1.052 41.252 42.510 -0.343 0.000 1.987 110 c HN 0.409 nan 8.230 nan 0.000 0.492 111 N N 0.795 119.491 118.700 -0.007 0.000 2.171 111 N HA -0.019 4.718 4.740 -0.004 0.000 0.184 111 N C 1.719 177.171 175.510 -0.096 0.000 1.021 111 N CA 1.228 54.259 53.050 -0.031 0.000 0.854 111 N CB -0.533 37.974 38.487 0.033 0.000 0.994 111 N HN 0.522 nan 8.380 nan 0.000 0.426 112 L N 1.151 122.411 121.223 0.062 0.000 1.994 112 L HA -0.130 4.207 4.340 -0.004 0.000 0.208 112 L C 2.507 179.545 176.870 0.281 0.000 1.071 112 L CA 1.176 56.151 54.840 0.224 0.000 0.745 112 L CB -0.409 41.837 42.059 0.312 0.000 0.892 112 L HN 0.121 nan 8.230 nan 0.000 0.431 113 E N 0.436 120.787 120.200 0.253 0.000 2.038 113 E HA -0.207 4.140 4.350 -0.004 0.000 0.195 113 E C 2.053 178.696 176.600 0.071 0.000 1.000 113 E CA 1.735 58.294 56.400 0.265 0.000 0.803 113 E CB -0.243 29.707 29.700 0.417 0.000 0.750 113 E HN 0.480 nan 8.360 nan 0.000 0.448 114 G N -0.118 108.564 108.800 -0.196 0.000 2.394 114 G HA2 -0.238 3.719 3.960 -0.004 0.000 0.215 114 G HA3 -0.238 3.719 3.960 -0.004 0.000 0.215 114 G C 1.535 175.972 174.900 -0.772 0.000 1.165 114 G CA 0.488 45.271 45.100 -0.528 0.000 0.784 114 G HN 0.323 nan 8.290 nan 0.000 0.535 115 F N 0.979 120.300 119.950 -1.047 0.000 2.102 115 F HA 0.038 4.562 4.527 -0.004 0.000 0.298 115 F C 2.132 177.669 175.800 -0.438 0.000 1.105 115 F CA 1.148 58.738 58.000 -0.684 0.000 1.239 115 F CB -0.204 38.418 39.000 -0.629 0.000 0.991 115 F HN 0.101 nan 8.300 nan 0.000 0.474 116 F N 0.304 120.133 119.950 -0.202 0.000 2.259 116 F HA 0.056 4.580 4.527 -0.004 0.000 0.298 116 F C 2.503 178.176 175.800 -0.211 0.000 1.088 116 F CA 0.933 58.797 58.000 -0.227 0.000 1.358 116 F CB -1.351 37.649 39.000 -0.000 0.000 1.040 116 F HN 0.073 nan 8.300 nan 0.000 0.505 117 A N -0.579 122.259 122.820 0.031 0.000 1.929 117 A HA -0.110 4.208 4.320 -0.004 0.000 0.216 117 A C 2.245 179.801 177.584 -0.046 0.000 1.176 117 A CA 2.045 54.126 52.037 0.072 0.000 0.628 117 A CB -1.168 17.903 19.000 0.118 0.000 0.816 117 A HN 0.311 nan 8.150 nan 0.000 0.444 118 T N 0.376 114.833 114.554 -0.161 0.000 2.701 118 T HA -0.090 4.257 4.350 -0.004 0.000 0.263 118 T C 1.875 176.372 174.700 -0.339 0.000 1.040 118 T CA 1.197 63.163 62.100 -0.223 0.000 1.147 118 T CB -0.444 68.363 68.868 -0.101 0.000 0.865 118 T HN 0.317 nan 8.240 nan 0.000 0.426 119 L N 0.671 121.593 121.223 -0.501 0.000 1.997 119 L HA -0.186 4.151 4.340 -0.004 0.000 0.216 119 L C 2.806 179.433 176.870 -0.405 0.000 1.074 119 L CA 2.117 56.612 54.840 -0.574 0.000 0.763 119 L CB -1.100 40.466 42.059 -0.821 0.000 0.890 119 L HN 0.443 nan 8.230 nan 0.000 0.434 120 G N -1.304 107.338 108.800 -0.264 0.000 2.446 120 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.217 120 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.217 120 G C 1.446 176.269 174.900 -0.129 0.000 1.168 120 G CA 0.725 45.728 45.100 -0.162 0.000 0.771 120 G HN 0.565 nan 8.290 nan 0.000 0.551 121 G N 0.230 108.936 108.800 -0.156 0.000 2.422 121 G HA2 -0.103 3.855 3.960 -0.004 0.000 0.218 121 G HA3 -0.103 3.855 3.960 -0.004 0.000 0.218 121 G C 1.692 176.406 174.900 -0.310 0.000 1.146 121 G CA 1.047 45.953 45.100 -0.322 0.000 0.769 121 G HN 0.361 nan 8.290 nan 0.000 0.547 122 E N 0.330 120.335 120.200 -0.325 0.000 2.112 122 E HA 0.042 4.389 4.350 -0.004 0.000 0.190 122 E C 2.610 179.115 176.600 -0.157 0.000 0.979 122 E CA 0.155 56.408 56.400 -0.246 0.000 0.814 122 E CB -0.164 29.409 29.700 -0.213 0.000 0.762 122 E HN 0.481 nan 8.360 nan 0.000 0.460 123 I N 1.067 121.493 120.570 -0.240 0.000 2.335 123 I HA -0.276 3.892 4.170 -0.004 0.000 0.251 123 I C 2.327 178.348 176.117 -0.161 0.000 1.129 123 I CA 1.065 62.200 61.300 -0.274 0.000 1.402 123 I CB -0.196 37.506 38.000 -0.497 0.000 1.069 123 I HN 0.002 nan 8.210 nan 0.000 0.424 124 A N 0.414 123.155 122.820 -0.133 0.000 1.897 124 A HA -0.161 4.156 4.320 -0.004 0.000 0.215 124 A C 2.190 179.628 177.584 -0.244 0.000 1.181 124 A CA 1.046 53.032 52.037 -0.086 0.000 0.620 124 A CB -0.648 18.410 19.000 0.097 0.000 0.821 124 A HN 0.355 nan 8.150 nan 0.000 0.443 125 L N -1.327 119.651 121.223 -0.408 0.000 2.017 125 L HA -0.096 4.242 4.340 -0.004 0.000 0.208 125 L C 2.132 178.641 176.870 -0.602 0.000 1.073 125 L CA 1.876 56.216 54.840 -0.834 0.000 0.745 125 L CB -0.796 40.767 42.059 -0.827 0.000 0.894 125 L HN 0.587 nan 8.230 nan 0.000 0.432 126 W N -0.806 120.323 121.300 -0.285 0.000 2.436 126 W HA -0.075 4.582 4.660 -0.004 0.000 0.284 126 W C 2.681 179.119 176.519 -0.135 0.000 1.225 126 W CA 0.906 58.121 57.345 -0.217 0.000 1.271 126 W CB -0.317 28.948 29.460 -0.325 0.000 1.114 126 W HN 0.046 nan 8.180 nan 0.000 0.559 127 S N 0.742 116.466 115.700 0.042 0.000 2.399 127 S HA -0.153 4.314 4.470 -0.004 0.000 0.231 127 S C 1.764 176.353 174.600 -0.019 0.000 1.022 127 S CA 0.989 59.202 58.200 0.023 0.000 0.983 127 S CB -0.464 62.715 63.200 -0.035 0.000 0.803 127 S HN 0.211 nan 8.310 nan 0.000 0.480 128 L N 0.796 121.948 121.223 -0.119 0.000 2.093 128 L HA -0.070 4.267 4.340 -0.004 0.000 0.208 128 L C 2.275 179.087 176.870 -0.098 0.000 1.085 128 L CA 0.735 55.480 54.840 -0.157 0.000 0.755 128 L CB -0.634 41.234 42.059 -0.318 0.000 0.904 128 L HN 0.208 nan 8.230 nan 0.000 0.435 129 V N -0.603 119.285 119.914 -0.044 0.000 2.261 129 V HA -0.270 3.848 4.120 -0.004 0.000 0.246 129 V C 2.458 178.619 176.094 0.112 0.000 1.047 129 V CA 1.666 64.006 62.300 0.067 0.000 1.015 129 V CB -0.361 31.642 31.823 0.299 0.000 0.642 129 V HN 0.170 nan 8.190 nan 0.000 0.446 130 V N -0.491 119.524 119.914 0.169 0.000 2.231 130 V HA -0.295 3.823 4.120 -0.004 0.000 0.248 130 V C 2.429 178.528 176.094 0.009 0.000 1.054 130 V CA 2.084 64.440 62.300 0.093 0.000 1.015 130 V CB -0.713 31.183 31.823 0.121 0.000 0.638 130 V HN 0.395 nan 8.190 nan 0.000 0.444 131 L N 0.326 121.549 121.223 0.000 0.000 2.043 131 L HA -0.192 4.145 4.340 -0.004 0.000 0.212 131 L C 2.554 179.435 176.870 0.018 0.000 1.075 131 L CA 2.384 57.215 54.840 -0.015 0.000 0.752 131 L CB -1.356 40.687 42.059 -0.027 0.000 0.891 131 L HN 0.334 nan 8.230 nan 0.000 0.432 132 A N -0.848 121.984 122.820 0.020 0.000 1.933 132 A HA -0.163 4.154 4.320 -0.004 0.000 0.218 132 A C 2.148 179.801 177.584 0.115 0.000 1.175 132 A CA 1.513 53.580 52.037 0.050 0.000 0.628 132 A CB -0.511 18.491 19.000 0.003 0.000 0.814 132 A HN 0.319 nan 8.150 nan 0.000 0.444 133 I N 0.012 120.643 120.570 0.102 0.000 2.133 133 I HA -0.186 3.981 4.170 -0.004 0.000 0.238 133 I C 2.544 178.809 176.117 0.247 0.000 1.074 133 I CA 1.641 63.040 61.300 0.165 0.000 1.342 133 I CB -1.489 36.566 38.000 0.092 0.000 1.053 133 I HN 0.460 nan 8.210 nan 0.000 0.404 134 E N 1.436 121.687 120.200 0.085 0.000 2.097 134 E HA -0.294 4.053 4.350 -0.004 0.000 0.196 134 E C 2.314 179.076 176.600 0.270 0.000 1.000 134 E CA 1.688 58.130 56.400 0.069 0.000 0.804 134 E CB -0.122 29.424 29.700 -0.256 0.000 0.740 134 E HN 0.205 nan 8.360 nan 0.000 0.454 135 R N -0.667 119.939 120.500 0.177 0.000 2.115 135 R HA -0.145 4.192 4.340 -0.004 0.000 0.230 135 R C 2.289 178.712 176.300 0.206 0.000 1.111 135 R CA 1.363 57.564 56.100 0.168 0.000 0.976 135 R CB -0.790 29.587 30.300 0.129 0.000 0.870 135 R HN 0.289 nan 8.270 nan 0.000 0.445 136 Y N -0.468 119.910 120.300 0.129 0.000 2.220 136 Y HA -0.099 4.448 4.550 -0.004 0.000 0.291 136 Y C 1.779 177.764 175.900 0.142 0.000 1.129 136 Y CA 1.411 59.579 58.100 0.113 0.000 1.161 136 Y CB -0.184 38.344 38.460 0.115 0.000 0.997 136 Y HN -0.147 nan 8.280 nan 0.000 0.522 137 V N 0.155 120.217 119.914 0.247 0.000 2.720 137 V HA -0.233 3.884 4.120 -0.004 0.000 0.256 137 V C 2.228 178.351 176.094 0.048 0.000 1.082 137 V CA 1.636 64.035 62.300 0.164 0.000 1.101 137 V CB -0.731 31.337 31.823 0.409 0.000 0.693 137 V HN 0.543 nan 8.190 nan 0.000 0.479 138 V N -3.911 116.055 119.914 0.088 0.000 3.263 138 V HA 0.123 4.241 4.120 -0.004 0.000 0.248 138 V C 1.895 177.974 176.094 -0.025 0.000 1.145 138 V CA 0.969 63.286 62.300 0.028 0.000 1.107 138 V CB 0.354 32.227 31.823 0.084 0.000 0.797 138 V HN 0.205 nan 8.190 nan 0.000 0.467 139 V N 0.015 119.903 119.914 -0.043 0.000 2.283 139 V HA -0.104 4.014 4.120 -0.004 0.000 0.239 139 V C 2.663 178.674 176.094 -0.138 0.000 1.035 139 V CA 2.216 64.474 62.300 -0.071 0.000 1.018 139 V CB -0.604 31.195 31.823 -0.040 0.000 0.658 139 V HN 0.608 nan 8.190 nan 0.000 0.459 140 C N -0.715 118.426 119.300 -0.265 0.000 2.500 140 C HA 0.120 4.578 4.460 -0.004 0.000 0.273 140 C C 1.434 176.263 174.990 -0.268 0.000 1.428 140 C CA -0.488 58.337 59.018 -0.320 0.000 1.766 140 C CB -1.364 26.007 27.740 -0.614 0.000 1.817 140 C HN 0.665 nan 8.230 nan 0.000 0.543 141 K N 0.360 120.617 120.400 -0.238 0.000 4.814 141 K HA -0.218 4.099 4.320 -0.004 0.000 0.295 141 K C -1.993 174.541 176.600 -0.109 0.000 0.828 141 K CA -0.062 56.148 56.287 -0.129 0.000 0.895 141 K CB -0.126 32.329 32.500 -0.075 0.000 1.810 141 K HN 0.285 nan 8.250 nan 0.000 0.418 142 P HA -0.149 nan 4.420 nan 0.000 0.221 142 P C 0.165 177.454 177.300 -0.019 0.000 1.145 142 P CA 1.157 64.233 63.100 -0.041 0.000 0.795 142 P CB 0.235 31.955 31.700 0.033 0.000 0.775 143 M N -2.581 117.014 119.600 -0.008 0.000 2.686 143 M HA 0.233 4.710 4.480 -0.004 0.000 0.262 143 M C 1.539 177.846 176.300 0.011 0.000 1.139 143 M CA 0.143 55.440 55.300 -0.005 0.000 0.928 143 M CB 0.497 33.103 32.600 0.010 0.000 1.482 143 M HN -0.428 nan 8.290 nan 0.000 0.545 144 S N 0.004 115.715 115.700 0.019 0.000 2.541 144 S HA 0.182 4.649 4.470 -0.004 0.000 0.219 144 S C 0.289 174.905 174.600 0.026 0.000 1.025 144 S CA 0.102 58.310 58.200 0.014 0.000 0.917 144 S CB 0.098 63.303 63.200 0.007 0.000 0.859 144 S HN 0.759 nan 8.310 nan 0.000 0.584 145 N N 0.868 119.596 118.700 0.047 0.000 2.918 145 N HA 0.317 5.054 4.740 -0.004 0.000 0.270 145 N C -1.382 174.199 175.510 0.118 0.000 1.536 145 N CA -0.267 52.813 53.050 0.050 0.000 0.877 145 N CB 0.432 38.938 38.487 0.032 0.000 1.190 145 N HN 0.244 nan 8.380 nan 0.000 0.492 146 F N 1.081 120.979 119.950 -0.086 0.000 2.563 146 F HA 0.655 5.180 4.527 -0.004 0.000 0.316 146 F C -0.794 174.911 175.800 -0.158 0.000 1.076 146 F CA -1.082 56.846 58.000 -0.120 0.000 0.921 146 F CB 2.081 40.983 39.000 -0.163 0.000 1.209 146 F HN 0.261 nan 8.300 nan 0.000 0.462 147 R N 4.853 124.656 120.500 -1.163 0.000 2.535 147 R HA 0.364 4.701 4.340 -0.004 0.000 0.274 147 R C -1.893 173.766 176.300 -1.068 0.000 1.090 147 R CA -0.594 54.934 56.100 -0.953 0.000 0.930 147 R CB 1.094 31.169 30.300 -0.376 0.000 1.223 147 R HN 0.570 nan 8.270 nan 0.000 0.441 148 F N 1.377 120.949 119.950 -0.630 0.000 2.518 148 F HA 0.353 4.878 4.527 -0.004 0.000 0.359 148 F C 1.387 177.034 175.800 -0.255 0.000 1.118 148 F CA 1.013 58.878 58.000 -0.225 0.000 1.287 148 F CB 1.011 39.988 39.000 -0.037 0.000 1.132 148 F HN 0.572 nan 8.300 nan 0.000 0.587 149 G N 1.860 110.531 108.800 -0.216 0.000 2.537 149 G HA2 0.324 4.281 3.960 -0.004 0.000 0.323 149 G HA3 0.324 4.281 3.960 -0.004 0.000 0.323 149 G C 0.301 175.090 174.900 -0.185 0.000 1.207 149 G CA -0.583 44.371 45.100 -0.243 0.000 0.976 149 G HN 0.658 nan 8.290 nan 0.000 0.487 150 E N 0.115 120.234 120.200 -0.135 0.000 2.219 150 E HA -0.220 4.127 4.350 -0.004 0.000 0.198 150 E C 2.262 178.692 176.600 -0.284 0.000 0.998 150 E CA 1.530 57.800 56.400 -0.217 0.000 0.818 150 E CB 0.080 29.766 29.700 -0.024 0.000 0.741 150 E HN 0.587 nan 8.360 nan 0.000 0.477 151 N N 0.853 119.448 118.700 -0.175 0.000 2.058 151 N HA -0.230 4.508 4.740 -0.004 0.000 0.191 151 N C 1.536 177.052 175.510 0.009 0.000 1.037 151 N CA 1.721 54.720 53.050 -0.085 0.000 0.848 151 N CB -0.989 37.471 38.487 -0.045 0.000 1.021 151 N HN 0.458 nan 8.380 nan 0.000 0.422 152 H N 0.818 119.882 119.070 -0.010 0.000 2.352 152 H HA 0.041 4.594 4.556 -0.004 0.000 0.299 152 H C 2.242 177.509 175.328 -0.103 0.000 1.097 152 H CA 1.196 57.260 56.048 0.027 0.000 1.311 152 H CB -0.017 29.881 29.762 0.226 0.000 1.377 152 H HN 0.451 nan 8.280 nan 0.000 0.504 153 A N 1.293 124.052 122.820 -0.103 0.000 1.908 153 A HA -0.153 4.164 4.320 -0.004 0.000 0.218 153 A C 2.382 179.808 177.584 -0.262 0.000 1.181 153 A CA 1.396 53.269 52.037 -0.273 0.000 0.627 153 A CB -0.685 17.975 19.000 -0.567 0.000 0.818 153 A HN 0.332 nan 8.150 nan 0.000 0.445 154 I N -0.676 119.698 120.570 -0.327 0.000 2.454 154 I HA -0.256 3.911 4.170 -0.004 0.000 0.254 154 I C 2.492 178.599 176.117 -0.016 0.000 1.156 154 I CA 0.851 62.060 61.300 -0.152 0.000 1.433 154 I CB -0.324 37.601 38.000 -0.125 0.000 1.082 154 I HN 0.296 nan 8.210 nan 0.000 0.432 155 M N 0.339 119.939 119.600 -0.000 0.000 2.099 155 M HA -0.075 4.403 4.480 -0.004 0.000 0.262 155 M C 2.489 178.839 176.300 0.083 0.000 1.067 155 M CA 1.815 57.142 55.300 0.045 0.000 1.124 155 M CB -1.850 30.774 32.600 0.040 0.000 1.353 155 M HN 0.282 nan 8.290 nan 0.000 0.410 156 G N -0.211 108.619 108.800 0.051 0.000 2.440 156 G HA2 -0.141 3.816 3.960 -0.004 0.000 0.218 156 G HA3 -0.141 3.816 3.960 -0.004 0.000 0.218 156 G C 1.682 176.716 174.900 0.223 0.000 1.154 156 G CA 1.091 46.262 45.100 0.118 0.000 0.767 156 G HN 0.340 nan 8.290 nan 0.000 0.552 157 V N 1.524 121.538 119.914 0.166 0.000 2.295 157 V HA -0.143 3.975 4.120 -0.004 0.000 0.246 157 V C 3.344 179.620 176.094 0.303 0.000 1.049 157 V CA 2.086 64.529 62.300 0.238 0.000 1.024 157 V CB -0.867 31.088 31.823 0.221 0.000 0.648 157 V HN 0.486 nan 8.190 nan 0.000 0.447 158 A N -0.595 122.352 122.820 0.212 0.000 1.972 158 A HA -0.247 4.070 4.320 -0.004 0.000 0.219 158 A C 2.086 179.808 177.584 0.229 0.000 1.169 158 A CA 2.036 54.185 52.037 0.187 0.000 0.635 158 A CB -0.678 18.388 19.000 0.110 0.000 0.810 158 A HN 0.556 nan 8.150 nan 0.000 0.446 159 F N 2.107 122.092 119.950 0.057 0.000 2.075 159 F HA -0.191 4.333 4.527 -0.004 0.000 0.297 159 F C 2.739 178.510 175.800 -0.049 0.000 1.113 159 F CA 2.531 60.518 58.000 -0.021 0.000 1.218 159 F CB -1.034 37.939 39.000 -0.046 0.000 0.984 159 F HN 0.334 nan 8.300 nan 0.000 0.472 160 T N -2.335 112.132 114.554 -0.146 0.000 2.737 160 T HA -0.308 4.039 4.350 -0.004 0.000 0.269 160 T C 1.857 176.398 174.700 -0.265 0.000 1.040 160 T CA 1.727 63.659 62.100 -0.280 0.000 1.142 160 T CB -1.378 67.462 68.868 -0.047 0.000 0.861 160 T HN 0.509 nan 8.240 nan 0.000 0.456 161 W N 0.945 122.159 121.300 -0.145 0.000 2.409 161 W HA 0.142 4.800 4.660 -0.004 0.000 0.299 161 W C 2.697 179.129 176.519 -0.146 0.000 1.203 161 W CA 0.325 57.608 57.345 -0.103 0.000 1.298 161 W CB -0.668 28.772 29.460 -0.033 0.000 1.127 161 W HN 0.059 nan 8.180 nan 0.000 0.528 162 V N 0.287 120.228 119.914 0.044 0.000 2.295 162 V HA -0.363 3.755 4.120 -0.004 0.000 0.246 162 V C 2.258 178.244 176.094 -0.179 0.000 1.049 162 V CA 1.627 63.908 62.300 -0.033 0.000 1.024 162 V CB -0.784 31.022 31.823 -0.028 0.000 0.648 162 V HN 0.092 nan 8.190 nan 0.000 0.447 163 M N -0.116 119.184 119.600 -0.499 0.000 2.086 163 M HA -0.092 4.385 4.480 -0.004 0.000 0.261 163 M C 2.425 178.529 176.300 -0.327 0.000 1.067 163 M CA 2.221 57.112 55.300 -0.682 0.000 1.116 163 M CB -1.682 29.749 32.600 -1.948 0.000 1.348 163 M HN 0.391 nan 8.290 nan 0.000 0.407 164 A N 0.483 123.137 122.820 -0.277 0.000 1.877 164 A HA -0.129 4.189 4.320 -0.004 0.000 0.216 164 A C 2.195 179.677 177.584 -0.169 0.000 1.186 164 A CA 1.230 53.145 52.037 -0.202 0.000 0.620 164 A CB -0.792 18.016 19.000 -0.319 0.000 0.822 164 A HN 0.367 nan 8.150 nan 0.000 0.443 165 L N -0.514 120.671 121.223 -0.064 0.000 2.079 165 L HA -0.186 4.152 4.340 -0.004 0.000 0.210 165 L C 2.939 179.866 176.870 0.095 0.000 1.081 165 L CA 2.020 56.905 54.840 0.075 0.000 0.752 165 L CB -1.677 40.474 42.059 0.154 0.000 0.896 165 L HN 0.473 nan 8.230 nan 0.000 0.433 166 A N -1.841 121.017 122.820 0.063 0.000 2.125 166 A HA -0.233 4.085 4.320 -0.004 0.000 0.219 166 A C 2.496 180.202 177.584 0.203 0.000 1.156 166 A CA 1.589 53.735 52.037 0.182 0.000 0.671 166 A CB -0.760 18.377 19.000 0.228 0.000 0.794 166 A HN 0.574 nan 8.150 nan 0.000 0.459 167 C N -2.529 116.712 119.300 -0.098 0.000 2.563 167 C HA 0.569 5.027 4.460 -0.004 0.000 0.346 167 C C 2.838 177.881 174.990 0.088 0.000 1.334 167 C CA 0.880 59.760 59.018 -0.230 0.000 1.938 167 C CB -0.493 26.728 27.740 -0.866 0.000 2.445 167 C HN 0.627 nan 8.230 nan 0.000 0.541 168 A N 0.011 122.859 122.820 0.048 0.000 2.081 168 A HA 0.487 4.805 4.320 -0.004 0.000 0.214 168 A C 2.220 180.063 177.584 0.433 0.000 1.158 168 A CA 1.360 53.494 52.037 0.162 0.000 0.724 168 A CB -0.609 18.248 19.000 -0.238 0.000 0.826 168 A HN 0.701 nan 8.150 nan 0.000 0.463 169 A N 0.483 123.528 122.820 0.374 0.000 1.935 169 A HA 0.189 4.507 4.320 -0.004 0.000 0.214 169 A C 0.060 177.747 177.584 0.171 0.000 1.178 169 A CA 1.092 53.303 52.037 0.289 0.000 0.640 169 A CB -1.309 17.823 19.000 0.219 0.000 0.825 169 A HN 0.370 nan 8.150 nan 0.000 0.447 170 P HA -0.177 nan 4.420 nan 0.000 0.217 170 P C -1.475 175.830 177.300 0.009 0.000 1.158 170 P CA 2.046 65.291 63.100 0.242 0.000 0.887 170 P CB -0.892 31.144 31.700 0.560 0.000 0.792 171 P HA -0.077 nan 4.420 nan 0.000 0.228 171 P C 1.052 178.228 177.300 -0.207 0.000 1.151 171 P CA 1.102 63.914 63.100 -0.481 0.000 0.770 171 P CB -0.445 30.610 31.700 -1.075 0.000 0.786 172 L N -1.633 119.560 121.223 -0.051 0.000 2.529 172 L HA 0.065 4.403 4.340 -0.004 0.000 0.223 172 L C 1.060 177.916 176.870 -0.024 0.000 1.113 172 L CA 0.429 55.258 54.840 -0.019 0.000 0.861 172 L CB 0.074 42.094 42.059 -0.065 0.000 1.012 172 L HN -0.088 nan 8.230 nan 0.000 0.461 173 V N -4.265 115.648 119.914 -0.002 0.000 2.841 173 V HA 0.674 4.792 4.120 -0.004 0.000 0.363 173 V C 0.759 176.876 176.094 0.038 0.000 1.330 173 V CA 0.102 62.410 62.300 0.013 0.000 1.207 173 V CB 0.095 31.929 31.823 0.018 0.000 1.318 173 V HN 0.310 nan 8.190 nan 0.000 0.603 174 G N -0.611 108.214 108.800 0.041 0.000 2.232 174 G HA2 -0.279 3.678 3.960 -0.004 0.000 0.226 174 G HA3 -0.279 3.678 3.960 -0.004 0.000 0.226 174 G C -0.326 174.672 174.900 0.164 0.000 0.996 174 G CA 0.062 45.206 45.100 0.073 0.000 0.626 174 G HN 0.795 nan 8.290 nan 0.000 0.509 175 W N 2.403 123.662 121.300 -0.069 0.000 2.288 175 W HA 0.667 5.325 4.660 -0.004 0.000 0.325 175 W C 0.706 177.069 176.519 -0.259 0.000 1.019 175 W CA -0.102 57.214 57.345 -0.049 0.000 1.403 175 W CB 0.126 29.633 29.460 0.078 0.000 1.226 175 W HN 1.063 nan 8.180 nan 0.000 0.391 176 S N 3.076 118.749 115.700 -0.045 0.000 3.740 176 S HA -0.177 4.291 4.470 -0.004 0.000 0.637 176 S C -0.430 173.985 174.600 -0.308 0.000 2.126 176 S CA 1.240 59.248 58.200 -0.320 0.000 2.309 176 S CB -0.708 61.911 63.200 -0.968 0.000 0.330 176 S HN 1.029 nan 8.310 nan 0.000 1.786 177 R N -0.585 119.668 120.500 -0.412 0.000 2.728 177 R HA 0.592 4.929 4.340 -0.004 0.000 0.274 177 R C -1.987 174.076 176.300 -0.395 0.000 1.032 177 R CA -1.057 54.843 56.100 -0.333 0.000 0.866 177 R CB -0.070 30.161 30.300 -0.115 0.000 1.263 177 R HN 0.496 nan 8.270 nan 0.000 0.475 178 Y N 0.947 121.199 120.300 -0.081 0.000 2.308 178 Y HA 0.630 5.177 4.550 -0.004 0.000 0.329 178 Y C 0.409 176.310 175.900 0.001 0.000 1.111 178 Y CA -0.562 57.511 58.100 -0.046 0.000 1.179 178 Y CB 1.320 39.767 38.460 -0.021 0.000 1.201 178 Y HN 0.487 nan 8.280 nan 0.000 0.483 179 I N 4.926 125.611 120.570 0.191 0.000 2.802 179 I HA 0.450 4.617 4.170 -0.004 0.000 0.298 179 I C -2.820 173.375 176.117 0.130 0.000 1.176 179 I CA -2.821 58.571 61.300 0.152 0.000 1.025 179 I CB 2.786 40.854 38.000 0.113 0.000 1.243 179 I HN 0.343 nan 8.210 nan 0.000 0.424 180 P HA 0.151 nan 4.420 nan 0.000 0.268 180 P C -1.501 175.882 177.300 0.139 0.000 1.204 180 P CA 0.162 63.348 63.100 0.144 0.000 0.768 180 P CB 0.411 32.157 31.700 0.077 0.000 0.842 181 E N 1.155 121.510 120.200 0.259 0.000 2.339 181 E HA 0.526 4.873 4.350 -0.004 0.000 0.262 181 E C 0.814 177.590 176.600 0.294 0.000 0.934 181 E CA -0.916 55.654 56.400 0.282 0.000 0.802 181 E CB 1.239 31.211 29.700 0.453 0.000 1.275 181 E HN 0.523 nan 8.360 nan 0.000 0.427 182 G N 1.253 110.244 108.800 0.318 0.000 2.660 182 G HA2 -0.406 3.552 3.960 -0.004 0.000 0.321 182 G HA3 -0.406 3.552 3.960 -0.004 0.000 0.321 182 G C 0.785 175.776 174.900 0.151 0.000 1.246 182 G CA 0.963 46.215 45.100 0.252 0.000 1.000 182 G HN 0.579 nan 8.290 nan 0.000 0.550 183 M N 1.315 120.939 119.600 0.041 0.000 2.686 183 M HA 0.072 4.549 4.480 -0.004 0.000 0.246 183 M C 1.046 177.393 176.300 0.078 0.000 1.096 183 M CA 1.588 56.848 55.300 -0.066 0.000 1.076 183 M CB -0.090 32.255 32.600 -0.425 0.000 1.504 183 M HN 0.522 nan 8.290 nan 0.000 0.524 184 Q N -2.647 117.242 119.800 0.149 0.000 2.493 184 Q HA -0.219 4.118 4.340 -0.004 0.000 0.260 184 Q C 0.386 176.533 176.000 0.245 0.000 0.905 184 Q CA 0.751 56.676 55.803 0.204 0.000 1.140 184 Q CB -2.923 25.870 28.738 0.092 0.000 1.435 184 Q HN 0.603 nan 8.270 nan 0.000 0.581 185 C N 0.438 119.872 119.300 0.224 0.000 2.974 185 C HA 0.320 4.778 4.460 -0.004 0.000 0.282 185 C C 1.234 176.345 174.990 0.201 0.000 1.292 185 C CA 0.523 59.582 59.018 0.068 0.000 1.710 185 C CB -0.112 27.718 27.740 0.150 0.000 2.036 185 C HN 0.599 nan 8.230 nan 0.000 0.629 186 S N -1.280 114.685 115.700 0.442 0.000 2.627 186 S HA 0.758 5.226 4.470 -0.004 0.000 0.283 186 S C -1.095 173.811 174.600 0.509 0.000 1.127 186 S CA -0.498 57.949 58.200 0.412 0.000 0.863 186 S CB 1.299 64.576 63.200 0.128 0.000 1.121 186 S HN 0.239 nan 8.310 nan 0.000 0.479 187 c N 0.663 119.492 118.600 0.381 0.000 2.634 187 c HA 1.021 5.589 4.570 -0.004 0.000 0.313 187 c C 0.843 175.096 174.090 0.272 0.000 1.198 187 c CA 0.206 56.695 56.329 0.267 0.000 1.605 187 c CB 1.090 43.654 42.510 0.090 0.000 2.196 187 c HN 1.300 nan 8.230 nan 0.000 0.486 188 G N 1.496 110.503 108.800 0.346 0.000 2.870 188 G HA2 0.608 4.566 3.960 -0.004 0.000 0.299 188 G HA3 0.608 4.566 3.960 -0.004 0.000 0.299 188 G C -1.125 173.929 174.900 0.257 0.000 1.324 188 G CA -0.456 44.890 45.100 0.411 0.000 0.808 188 G HN 0.524 nan 8.290 nan 0.000 0.535 189 I N 1.207 121.776 120.570 -0.001 0.000 2.696 189 I HA 0.118 4.286 4.170 -0.004 0.000 0.284 189 I C -0.039 175.597 176.117 -0.803 0.000 1.129 189 I CA -0.398 60.654 61.300 -0.415 0.000 1.410 189 I CB 1.286 39.136 38.000 -0.251 0.000 1.399 189 I HN 0.360 nan 8.210 nan 0.000 0.579 190 D N 5.676 125.816 120.400 -0.434 0.000 2.367 190 D HA 0.001 4.638 4.640 -0.004 0.000 0.255 190 D C 0.212 176.421 176.300 -0.150 0.000 1.300 190 D CA 0.194 54.088 54.000 -0.177 0.000 0.959 190 D CB 0.116 40.894 40.800 -0.037 0.000 1.064 190 D HN 0.282 nan 8.370 nan 0.000 0.509 191 Y N 2.151 122.561 120.300 0.183 0.000 2.444 191 Y HA 0.100 4.648 4.550 -0.004 0.000 0.249 191 Y C 1.101 176.995 175.900 -0.010 0.000 1.134 191 Y CA -0.321 57.828 58.100 0.080 0.000 1.261 191 Y CB -0.389 37.999 38.460 -0.120 0.000 1.143 191 Y HN 0.354 nan 8.280 nan 0.000 0.523 192 Y N 0.797 121.204 120.300 0.179 0.000 2.314 192 Y HA 0.048 4.596 4.550 -0.004 0.000 0.294 192 Y C 1.368 177.181 175.900 -0.145 0.000 1.119 192 Y CA 0.560 58.641 58.100 -0.033 0.000 1.179 192 Y CB -0.308 38.078 38.460 -0.123 0.000 1.025 192 Y HN -0.034 nan 8.280 nan 0.000 0.541 193 T N -3.365 111.269 114.554 0.134 0.000 2.908 193 T HA 0.372 4.720 4.350 -0.004 0.000 0.290 193 T C -2.455 172.338 174.700 0.155 0.000 1.034 193 T CA -2.392 59.766 62.100 0.098 0.000 1.010 193 T CB 2.471 71.406 68.868 0.112 0.000 1.068 193 T HN -0.287 nan 8.240 nan 0.000 0.481 194 P HA 0.054 nan 4.420 nan 0.000 0.227 194 P C 0.513 177.932 177.300 0.198 0.000 1.161 194 P CA 0.225 63.416 63.100 0.152 0.000 0.788 194 P CB -0.357 31.395 31.700 0.086 0.000 0.822 195 H N 1.154 120.272 119.070 0.080 0.000 1.694 195 H HA -0.186 4.368 4.556 -0.004 0.000 0.323 195 H C 0.493 175.871 175.328 0.083 0.000 0.802 195 H CA 0.109 56.199 56.048 0.071 0.000 1.074 195 H CB -0.431 29.371 29.762 0.066 0.000 1.518 195 H HN 0.345 nan 8.280 nan 0.000 0.270 196 E N 2.174 122.365 120.200 -0.014 0.000 2.160 196 E HA -0.244 4.103 4.350 -0.004 0.000 0.195 196 E C 1.838 178.372 176.600 -0.111 0.000 0.991 196 E CA 1.032 57.422 56.400 -0.017 0.000 0.810 196 E CB -0.057 29.640 29.700 -0.004 0.000 0.742 196 E HN 0.717 nan 8.360 nan 0.000 0.466 197 E N 0.254 120.263 120.200 -0.318 0.000 2.393 197 E HA -0.185 4.163 4.350 -0.004 0.000 0.201 197 E C 1.155 177.612 176.600 -0.240 0.000 1.025 197 E CA 1.108 57.299 56.400 -0.348 0.000 0.856 197 E CB 0.139 29.499 29.700 -0.566 0.000 0.771 197 E HN 0.077 nan 8.360 nan 0.000 0.526 198 T N -1.052 113.408 114.554 -0.157 0.000 3.262 198 T HA 0.102 4.449 4.350 -0.004 0.000 0.300 198 T C -0.676 174.150 174.700 0.210 0.000 0.959 198 T CA 0.119 62.263 62.100 0.075 0.000 0.936 198 T CB -0.203 68.795 68.868 0.216 0.000 1.169 198 T HN 0.284 nan 8.240 nan 0.000 0.532 199 N N 2.316 121.124 118.700 0.181 0.000 2.688 199 N HA -0.153 4.584 4.740 -0.004 0.000 0.258 199 N C 0.438 176.173 175.510 0.375 0.000 1.016 199 N CA 0.534 53.766 53.050 0.303 0.000 0.747 199 N CB -0.991 37.725 38.487 0.382 0.000 0.895 199 N HN 0.324 nan 8.380 nan 0.000 0.543 200 N N 0.633 119.492 118.700 0.265 0.000 2.120 200 N HA -0.114 4.623 4.740 -0.004 0.000 0.188 200 N C 1.403 177.085 175.510 0.287 0.000 1.024 200 N CA 1.070 54.255 53.050 0.225 0.000 0.852 200 N CB 0.058 38.675 38.487 0.216 0.000 1.003 200 N HN 0.509 nan 8.380 nan 0.000 0.424 201 E N 0.583 120.987 120.200 0.339 0.000 2.031 201 E HA -0.114 4.233 4.350 -0.004 0.000 0.193 201 E C 2.041 178.864 176.600 0.372 0.000 0.994 201 E CA 1.385 58.047 56.400 0.437 0.000 0.800 201 E CB -0.405 29.508 29.700 0.355 0.000 0.752 201 E HN 0.469 nan 8.360 nan 0.000 0.447 202 S N 1.065 116.991 115.700 0.377 0.000 2.370 202 S HA -0.192 4.275 4.470 -0.004 0.000 0.226 202 S C 2.020 176.825 174.600 0.343 0.000 1.033 202 S CA 1.078 59.526 58.200 0.414 0.000 1.011 202 S CB -0.800 62.714 63.200 0.524 0.000 0.852 202 S HN 0.278 nan 8.310 nan 0.000 0.457 203 F N 2.584 122.536 119.950 0.003 0.000 2.134 203 F HA -0.055 4.469 4.527 -0.004 0.000 0.299 203 F C 2.242 177.902 175.800 -0.234 0.000 1.097 203 F CA 1.309 58.941 58.000 -0.613 0.000 1.264 203 F CB -0.397 37.966 39.000 -1.063 0.000 1.001 203 F HN 0.054 nan 8.300 nan 0.000 0.479 204 V N 0.925 120.838 119.914 -0.002 0.000 2.343 204 V HA -0.323 3.794 4.120 -0.004 0.000 0.247 204 V C 2.359 178.416 176.094 -0.063 0.000 1.051 204 V CA 2.201 64.424 62.300 -0.127 0.000 1.036 204 V CB -0.603 30.862 31.823 -0.596 0.000 0.654 204 V HN 0.379 nan 8.190 nan 0.000 0.451 205 I N -0.906 119.681 120.570 0.027 0.000 2.315 205 I HA -0.252 3.916 4.170 -0.004 0.000 0.248 205 I C 2.446 178.640 176.117 0.128 0.000 1.117 205 I CA 1.834 63.234 61.300 0.165 0.000 1.404 205 I CB -0.491 37.648 38.000 0.232 0.000 1.071 205 I HN 0.429 nan 8.210 nan 0.000 0.419 206 Y N 1.397 121.636 120.300 -0.101 0.000 2.200 206 Y HA -0.260 4.287 4.550 -0.004 0.000 0.290 206 Y C 2.477 178.231 175.900 -0.244 0.000 1.137 206 Y CA 1.621 59.623 58.100 -0.163 0.000 1.163 206 Y CB -0.287 38.014 38.460 -0.265 0.000 0.988 206 Y HN 0.072 nan 8.280 nan 0.000 0.518 207 M N -1.262 117.893 119.600 -0.741 0.000 2.099 207 M HA -0.161 4.317 4.480 -0.004 0.000 0.262 207 M C 1.599 177.676 176.300 -0.370 0.000 1.067 207 M CA 1.923 56.789 55.300 -0.723 0.000 1.124 207 M CB -0.390 31.783 32.600 -0.712 0.000 1.353 207 M HN 0.295 nan 8.290 nan 0.000 0.410 208 F N -0.346 119.514 119.950 -0.151 0.000 2.365 208 F HA -0.119 4.405 4.527 -0.004 0.000 0.300 208 F C 1.996 177.848 175.800 0.086 0.000 1.090 208 F CA 0.856 58.873 58.000 0.028 0.000 1.408 208 F CB -0.402 38.642 39.000 0.073 0.000 1.060 208 F HN -0.016 nan 8.300 nan 0.000 0.534 209 V N -1.621 118.375 119.914 0.136 0.000 2.403 209 V HA -0.116 4.001 4.120 -0.004 0.000 0.239 209 V C 2.093 178.164 176.094 -0.039 0.000 1.041 209 V CA 1.028 63.373 62.300 0.076 0.000 1.051 209 V CB -0.404 31.472 31.823 0.089 0.000 0.704 209 V HN -0.003 nan 8.190 nan 0.000 0.472 210 V N -0.023 119.783 119.914 -0.179 0.000 2.427 210 V HA -0.140 3.977 4.120 -0.004 0.000 0.248 210 V C 1.627 177.458 176.094 -0.439 0.000 1.051 210 V CA 1.535 63.640 62.300 -0.326 0.000 1.048 210 V CB -0.747 30.752 31.823 -0.540 0.000 0.666 210 V HN 0.638 nan 8.190 nan 0.000 0.456 211 H N -2.608 116.379 119.070 -0.139 0.000 2.472 211 H HA 0.312 4.865 4.556 -0.004 0.000 0.287 211 H C 0.687 175.932 175.328 -0.138 0.000 1.112 211 H CA 0.043 56.004 56.048 -0.145 0.000 1.021 211 H CB 0.861 30.503 29.762 -0.200 0.000 1.635 211 H HN 0.491 nan 8.280 nan 0.000 0.559 212 F N -0.509 119.314 119.950 -0.213 0.000 1.759 212 F HA 0.126 4.651 4.527 -0.004 0.000 0.239 212 F C 1.211 176.955 175.800 -0.094 0.000 1.234 212 F CA -0.074 57.837 58.000 -0.149 0.000 1.313 212 F CB -0.365 38.597 39.000 -0.062 0.000 1.912 212 F HN -0.072 nan 8.300 nan 0.000 0.254 213 I N 1.385 121.856 120.570 -0.165 0.000 2.163 213 I HA -0.248 3.920 4.170 -0.004 0.000 0.240 213 I C 2.208 178.214 176.117 -0.186 0.000 1.081 213 I CA 1.936 63.078 61.300 -0.263 0.000 1.353 213 I CB -0.423 37.536 38.000 -0.069 0.000 1.054 213 I HN 0.227 nan 8.210 nan 0.000 0.407 214 I N 0.848 121.350 120.570 -0.113 0.000 2.091 214 I HA -0.238 3.930 4.170 -0.004 0.000 0.239 214 I C -0.383 175.660 176.117 -0.122 0.000 1.061 214 I CA 1.967 63.221 61.300 -0.077 0.000 1.317 214 I CB -1.677 36.317 38.000 -0.011 0.000 1.031 214 I HN 0.148 nan 8.210 nan 0.000 0.401 215 P HA -0.186 nan 4.420 nan 0.000 0.216 215 P C 1.805 178.924 177.300 -0.301 0.000 1.150 215 P CA 1.279 64.145 63.100 -0.389 0.000 0.843 215 P CB 0.023 31.185 31.700 -0.897 0.000 0.787 216 L N -1.270 119.781 121.223 -0.287 0.000 2.093 216 L HA -0.102 4.235 4.340 -0.004 0.000 0.208 216 L C 2.315 179.203 176.870 0.030 0.000 1.085 216 L CA 1.623 56.356 54.840 -0.178 0.000 0.755 216 L CB -1.384 40.596 42.059 -0.132 0.000 0.904 216 L HN 0.029 nan 8.230 nan 0.000 0.435 217 I N -1.233 119.344 120.570 0.012 0.000 2.142 217 I HA -0.287 3.880 4.170 -0.004 0.000 0.240 217 I C 2.504 178.690 176.117 0.113 0.000 1.078 217 I CA 0.856 62.210 61.300 0.089 0.000 1.343 217 I CB -0.424 37.582 38.000 0.010 0.000 1.046 217 I HN -0.011 nan 8.210 nan 0.000 0.405 218 V N 1.396 121.328 119.914 0.030 0.000 2.231 218 V HA -0.326 3.792 4.120 -0.004 0.000 0.248 218 V C 2.364 178.506 176.094 0.079 0.000 1.054 218 V CA 2.208 64.545 62.300 0.062 0.000 1.015 218 V CB -0.499 31.340 31.823 0.027 0.000 0.638 218 V HN 0.327 nan 8.190 nan 0.000 0.444 219 I N -1.020 119.504 120.570 -0.077 0.000 2.118 219 I HA -0.294 3.873 4.170 -0.004 0.000 0.241 219 I C 2.326 178.326 176.117 -0.194 0.000 1.070 219 I CA 1.997 63.166 61.300 -0.218 0.000 1.327 219 I CB -0.452 37.257 38.000 -0.485 0.000 1.034 219 I HN 0.231 nan 8.210 nan 0.000 0.405 220 F N -0.121 119.864 119.950 0.058 0.000 2.259 220 F HA -0.155 4.370 4.527 -0.004 0.000 0.298 220 F C 2.226 178.123 175.800 0.161 0.000 1.088 220 F CA 1.101 59.164 58.000 0.104 0.000 1.358 220 F CB -0.822 38.210 39.000 0.054 0.000 1.040 220 F HN 0.010 nan 8.300 nan 0.000 0.505 221 F N -0.123 119.931 119.950 0.174 0.000 2.113 221 F HA -0.223 4.301 4.527 -0.004 0.000 0.297 221 F C 2.595 178.426 175.800 0.051 0.000 1.103 221 F CA 1.501 59.556 58.000 0.092 0.000 1.248 221 F CB -0.988 38.026 39.000 0.024 0.000 0.999 221 F HN 0.072 nan 8.300 nan 0.000 0.475 222 C N 0.414 119.688 119.300 -0.043 0.000 2.413 222 C HA -0.254 4.204 4.460 -0.004 0.000 0.276 222 C C 2.732 177.667 174.990 -0.092 0.000 1.248 222 C CA 1.503 60.409 59.018 -0.187 0.000 1.742 222 C CB -1.861 25.873 27.740 -0.010 0.000 2.017 222 C HN 0.692 nan 8.230 nan 0.000 0.481 223 Y N 1.923 122.173 120.300 -0.082 0.000 2.181 223 Y HA 0.046 4.594 4.550 -0.004 0.000 0.288 223 Y C 2.357 178.239 175.900 -0.031 0.000 1.146 223 Y CA 1.927 60.016 58.100 -0.018 0.000 1.164 223 Y CB -0.985 37.495 38.460 0.033 0.000 0.982 223 Y HN 0.298 nan 8.280 nan 0.000 0.515 224 G N -0.037 108.691 108.800 -0.121 0.000 2.479 224 G HA2 -0.228 3.729 3.960 -0.004 0.000 0.220 224 G HA3 -0.228 3.729 3.960 -0.004 0.000 0.220 224 G C 1.384 176.124 174.900 -0.266 0.000 1.115 224 G CA 0.909 45.879 45.100 -0.216 0.000 0.757 224 G HN 0.399 nan 8.290 nan 0.000 0.560 225 Q N -0.222 119.402 119.800 -0.293 0.000 2.062 225 Q HA 0.082 4.419 4.340 -0.004 0.000 0.196 225 Q C 1.904 177.874 176.000 -0.049 0.000 0.967 225 Q CA 0.503 56.221 55.803 -0.142 0.000 0.832 225 Q CB -0.511 28.200 28.738 -0.046 0.000 0.899 225 Q HN 0.419 nan 8.270 nan 0.000 0.442 226 L N 1.276 122.452 121.223 -0.079 0.000 2.801 226 L HA -0.002 4.336 4.340 -0.004 0.000 0.250 226 L C 1.681 178.429 176.870 -0.204 0.000 1.222 226 L CA 0.385 55.173 54.840 -0.087 0.000 1.054 226 L CB -0.676 41.367 42.059 -0.028 0.000 1.330 226 L HN -0.018 nan 8.230 nan 0.000 0.426 227 V N -1.087 118.707 119.914 -0.201 0.000 2.379 227 V HA -0.159 3.958 4.120 -0.004 0.000 0.243 227 V C 1.859 177.944 176.094 -0.015 0.000 1.035 227 V CA 1.286 63.470 62.300 -0.192 0.000 1.035 227 V CB 0.115 31.841 31.823 -0.161 0.000 0.673 227 V HN 0.466 nan 8.190 nan 0.000 0.457 228 F N 0.890 120.779 119.950 -0.102 0.000 2.138 228 F HA 0.065 4.590 4.527 -0.004 0.000 0.283 228 F C 2.319 178.089 175.800 -0.051 0.000 1.100 228 F CA 2.196 60.159 58.000 -0.062 0.000 1.189 228 F CB -0.961 38.011 39.000 -0.047 0.000 1.060 228 F HN 0.182 nan 8.300 nan 0.000 0.492 229 T N 0.965 115.376 114.554 -0.237 0.000 2.364 229 T HA -0.274 4.074 4.350 -0.004 0.000 0.234 229 T C 0.842 175.359 174.700 -0.305 0.000 1.421 229 T CA 1.942 63.847 62.100 -0.325 0.000 1.176 229 T CB -1.193 67.609 68.868 -0.111 0.000 0.859 229 T HN 0.145 nan 8.240 nan 0.000 0.407 230 V N 0.921 120.736 119.914 -0.165 0.000 3.096 230 V HA 0.610 4.728 4.120 -0.004 0.000 0.319 230 V C -0.746 175.293 176.094 -0.093 0.000 1.082 230 V CA -0.721 61.508 62.300 -0.118 0.000 1.022 230 V CB 1.730 33.517 31.823 -0.060 0.000 1.103 230 V HN 0.499 nan 8.190 nan 0.000 0.455 231 K N 1.565 121.933 120.400 -0.054 0.000 2.548 231 K HA 0.403 4.721 4.320 -0.004 0.000 0.282 231 K C 0.224 176.836 176.600 0.020 0.000 1.006 231 K CA -0.738 55.537 56.287 -0.019 0.000 0.892 231 K CB 1.803 34.287 32.500 -0.026 0.000 1.499 231 K HN 0.596 nan 8.250 nan 0.000 0.433 232 E N 0.469 120.701 120.200 0.054 0.000 2.409 232 E HA -0.074 4.273 4.350 -0.004 0.000 0.198 232 E C 0.137 176.763 176.600 0.042 0.000 1.024 232 E CA 0.366 56.806 56.400 0.066 0.000 0.861 232 E CB 0.051 29.805 29.700 0.090 0.000 0.788 232 E HN 0.471 nan 8.360 nan 0.000 0.521 233 A N 1.618 124.454 122.820 0.027 0.000 2.476 233 A HA 0.432 4.750 4.320 -0.004 0.000 0.275 233 A C -0.079 177.511 177.584 0.010 0.000 1.133 233 A CA 0.177 52.224 52.037 0.017 0.000 0.797 233 A CB 0.063 19.068 19.000 0.008 0.000 1.081 233 A HN 0.157 nan 8.150 nan 0.000 0.510 234 A N 2.503 125.332 122.820 0.015 0.000 2.381 234 A HA 0.774 5.092 4.320 -0.004 0.000 0.299 234 A C 0.335 177.925 177.584 0.011 0.000 1.049 234 A CA 0.103 52.147 52.037 0.012 0.000 0.715 234 A CB 0.992 20.003 19.000 0.019 0.000 1.222 234 A HN 1.809 nan 8.150 nan 0.000 0.428 235 A N 1.949 124.773 122.820 0.007 0.000 3.774 235 A HA 0.676 4.994 4.320 -0.004 0.000 0.171 235 A C 0.760 178.349 177.584 0.008 0.000 1.655 235 A CA 0.468 52.509 52.037 0.007 0.000 1.543 235 A CB -0.423 18.580 19.000 0.004 0.000 1.659 235 A HN 1.059 nan 8.150 nan 0.000 0.636 236 Q N -0.738 119.065 119.800 0.006 0.000 2.177 236 Q HA 0.496 4.834 4.340 -0.004 0.000 0.183 236 Q C -0.992 175.011 176.000 0.005 0.000 1.040 236 Q CA -0.729 55.078 55.803 0.006 0.000 1.089 236 Q CB -0.102 28.639 28.738 0.005 0.000 1.130 236 Q HN 0.502 nan 8.270 nan 0.000 0.575 237 Q N 0.733 120.537 119.800 0.006 0.000 2.315 237 Q HA -0.011 4.326 4.340 -0.004 0.000 0.289 237 Q C -0.285 175.716 176.000 0.002 0.000 1.044 237 Q CA 1.096 56.901 55.803 0.005 0.000 0.920 237 Q CB 0.566 29.307 28.738 0.005 0.000 1.214 237 Q HN 0.782 nan 8.270 nan 0.000 0.392 238 Q N 0.860 120.661 119.800 0.001 0.000 1.513 238 Q HA -0.344 3.994 4.340 -0.004 0.000 0.250 238 Q C -0.289 175.708 176.000 -0.006 0.000 1.246 238 Q CA 0.924 56.725 55.803 -0.003 0.000 0.946 238 Q CB -1.181 27.556 28.738 -0.003 0.000 2.489 238 Q HN 0.550 nan 8.270 nan 0.000 0.387 239 E N -1.756 118.439 120.200 -0.008 0.000 4.851 239 E HA -0.155 4.192 4.350 -0.004 0.000 0.191 239 E C -0.493 176.095 176.600 -0.019 0.000 0.953 239 E CA 2.077 58.468 56.400 -0.014 0.000 2.275 239 E CB -1.550 28.140 29.700 -0.016 0.000 1.723 239 E HN 0.474 nan 8.360 nan 0.000 0.514 240 S N -1.460 114.230 115.700 -0.017 0.000 2.795 240 S HA 0.620 5.088 4.470 -0.004 0.000 0.230 240 S C -0.997 173.593 174.600 -0.015 0.000 0.749 240 S CA 0.386 58.575 58.200 -0.020 0.000 1.066 240 S CB 0.901 64.083 63.200 -0.030 0.000 1.466 240 S HN 1.287 nan 8.310 nan 0.000 0.502 241 A N -0.216 122.598 122.820 -0.010 0.000 2.435 241 A HA 0.095 4.413 4.320 -0.004 0.000 0.686 241 A C 0.744 178.325 177.584 -0.004 0.000 0.138 241 A CA -0.080 51.953 52.037 -0.007 0.000 0.025 241 A CB -1.553 17.442 19.000 -0.008 0.000 3.973 241 A HN 0.265 nan 8.150 nan 0.000 0.548 242 T N 1.553 116.106 114.554 -0.001 0.000 2.946 242 T HA -0.083 4.265 4.350 -0.004 0.000 0.271 242 T C 1.826 176.529 174.700 0.005 0.000 1.104 242 T CA 2.273 64.375 62.100 0.003 0.000 1.114 242 T CB -0.288 68.582 68.868 0.004 0.000 0.867 242 T HN 0.972 nan 8.240 nan 0.000 0.513 243 T N 1.406 115.961 114.554 0.002 0.000 3.113 243 T HA -0.004 4.344 4.350 -0.004 0.000 0.263 243 T C 1.825 176.526 174.700 0.003 0.000 1.143 243 T CA 0.522 62.624 62.100 0.004 0.000 1.090 243 T CB 0.014 68.882 68.868 0.000 0.000 0.922 243 T HN 0.357 nan 8.240 nan 0.000 0.521 244 Q N 0.943 120.742 119.800 -0.002 0.000 2.324 244 Q HA 0.056 4.394 4.340 -0.004 0.000 0.207 244 Q C 2.203 178.203 176.000 -0.000 0.000 0.928 244 Q CA 0.906 56.705 55.803 -0.006 0.000 0.890 244 Q CB 0.040 28.769 28.738 -0.016 0.000 1.001 244 Q HN 0.289 nan 8.270 nan 0.000 0.517 245 K N 0.582 120.983 120.400 0.003 0.000 2.148 245 K HA 0.015 4.333 4.320 -0.004 0.000 0.204 245 K C 1.706 178.316 176.600 0.017 0.000 1.050 245 K CA 1.344 57.635 56.287 0.008 0.000 0.942 245 K CB -0.264 32.240 32.500 0.007 0.000 0.724 245 K HN 0.191 nan 8.250 nan 0.000 0.446 246 A N 0.055 122.886 122.820 0.019 0.000 2.016 246 A HA -0.020 4.298 4.320 -0.004 0.000 0.217 246 A C 1.940 179.544 177.584 0.034 0.000 1.162 246 A CA 1.323 53.377 52.037 0.028 0.000 0.662 246 A CB -0.394 18.622 19.000 0.028 0.000 0.812 246 A HN 0.378 nan 8.150 nan 0.000 0.450 247 E N 0.167 120.383 120.200 0.028 0.000 2.208 247 E HA -0.083 4.265 4.350 -0.004 0.000 0.193 247 E C 1.870 178.491 176.600 0.036 0.000 0.988 247 E CA 1.173 57.593 56.400 0.032 0.000 0.828 247 E CB -0.145 29.567 29.700 0.020 0.000 0.763 247 E HN 0.601 nan 8.360 nan 0.000 0.478 248 K N 0.175 120.592 120.400 0.029 0.000 2.155 248 K HA -0.106 4.212 4.320 -0.004 0.000 0.203 248 K C 2.037 178.664 176.600 0.045 0.000 1.052 248 K CA 1.125 57.431 56.287 0.032 0.000 0.948 248 K CB 0.008 32.520 32.500 0.021 0.000 0.728 248 K HN 0.121 nan 8.250 nan 0.000 0.448 249 E N 0.252 120.480 120.200 0.046 0.000 2.051 249 E HA -0.180 4.167 4.350 -0.004 0.000 0.192 249 E C 1.726 178.367 176.600 0.067 0.000 0.991 249 E CA 1.389 57.822 56.400 0.055 0.000 0.799 249 E CB 0.115 29.848 29.700 0.054 0.000 0.748 249 E HN 0.095 nan 8.360 nan 0.000 0.449 250 V N 0.883 120.839 119.914 0.069 0.000 2.407 250 V HA -0.220 3.898 4.120 -0.004 0.000 0.248 250 V C 2.361 178.497 176.094 0.071 0.000 1.055 250 V CA 2.120 64.465 62.300 0.076 0.000 1.049 250 V CB -0.623 31.245 31.823 0.075 0.000 0.662 250 V HN 0.367 nan 8.190 nan 0.000 0.455 251 T N -0.846 113.750 114.554 0.069 0.000 2.857 251 T HA -0.120 4.227 4.350 -0.004 0.000 0.266 251 T C 2.173 176.923 174.700 0.084 0.000 1.048 251 T CA 0.817 62.964 62.100 0.078 0.000 1.139 251 T CB -0.222 68.692 68.868 0.077 0.000 0.874 251 T HN 0.149 nan 8.240 nan 0.000 0.455 252 R N 1.092 121.639 120.500 0.078 0.000 2.081 252 R HA 0.101 4.439 4.340 -0.004 0.000 0.235 252 R C 2.310 178.654 176.300 0.074 0.000 1.131 252 R CA 1.266 57.412 56.100 0.078 0.000 0.960 252 R CB -0.831 29.510 30.300 0.069 0.000 0.856 252 R HN 0.456 nan 8.270 nan 0.000 0.436 253 M N -0.100 119.545 119.600 0.075 0.000 2.099 253 M HA -0.142 4.335 4.480 -0.004 0.000 0.262 253 M C 1.875 178.214 176.300 0.066 0.000 1.067 253 M CA 1.515 56.863 55.300 0.080 0.000 1.124 253 M CB 0.041 32.699 32.600 0.096 0.000 1.353 253 M HN -0.092 nan 8.290 nan 0.000 0.410 254 V N 0.911 120.857 119.914 0.054 0.000 2.490 254 V HA -0.287 3.830 4.120 -0.004 0.000 0.250 254 V C 2.245 178.350 176.094 0.018 0.000 1.061 254 V CA 1.762 64.080 62.300 0.031 0.000 1.064 254 V CB -0.768 31.073 31.823 0.030 0.000 0.670 254 V HN 0.528 nan 8.190 nan 0.000 0.461 255 I N -0.711 119.877 120.570 0.030 0.000 2.286 255 I HA -0.175 3.993 4.170 -0.004 0.000 0.245 255 I C 2.313 178.428 176.117 -0.004 0.000 1.104 255 I CA 1.116 62.408 61.300 -0.012 0.000 1.397 255 I CB -0.280 37.734 38.000 0.023 0.000 1.072 255 I HN 0.204 nan 8.210 nan 0.000 0.417 256 I N 0.527 121.119 120.570 0.037 0.000 2.226 256 I HA -0.282 3.886 4.170 -0.004 0.000 0.245 256 I C 2.571 178.735 176.117 0.077 0.000 1.100 256 I CA 1.840 63.172 61.300 0.053 0.000 1.374 256 I CB -0.763 37.279 38.000 0.070 0.000 1.057 256 I HN 0.288 nan 8.210 nan 0.000 0.413 257 M N -0.211 119.446 119.600 0.095 0.000 2.202 257 M HA -0.187 4.290 4.480 -0.004 0.000 0.262 257 M C 2.216 178.618 176.300 0.169 0.000 1.063 257 M CA 1.342 56.739 55.300 0.161 0.000 1.097 257 M CB -0.275 32.389 32.600 0.107 0.000 1.382 257 M HN 0.047 nan 8.290 nan 0.000 0.413 258 V N -0.045 119.910 119.914 0.068 0.000 2.407 258 V HA -0.196 3.921 4.120 -0.004 0.000 0.245 258 V C 2.266 178.434 176.094 0.123 0.000 1.041 258 V CA 1.029 63.355 62.300 0.044 0.000 1.040 258 V CB -0.496 31.249 31.823 -0.129 0.000 0.671 258 V HN 0.369 nan 8.190 nan 0.000 0.455 259 I N 1.057 121.670 120.570 0.072 0.000 2.208 259 I HA -0.250 3.918 4.170 -0.004 0.000 0.245 259 I C 2.706 178.858 176.117 0.058 0.000 1.097 259 I CA 2.097 63.440 61.300 0.073 0.000 1.363 259 I CB -1.551 36.472 38.000 0.038 0.000 1.051 259 I HN 0.325 nan 8.210 nan 0.000 0.413 260 A N 0.686 123.516 122.820 0.015 0.000 1.873 260 A HA -0.246 4.071 4.320 -0.004 0.000 0.215 260 A C 2.325 179.788 177.584 -0.201 0.000 1.186 260 A CA 1.292 53.212 52.037 -0.196 0.000 0.616 260 A CB -1.143 17.657 19.000 -0.333 0.000 0.823 260 A HN 0.364 nan 8.150 nan 0.000 0.442 261 F N 0.755 120.698 119.950 -0.011 0.000 2.065 261 F HA -0.237 4.288 4.527 -0.004 0.000 0.298 261 F C 1.963 177.911 175.800 0.247 0.000 1.112 261 F CA 2.069 60.210 58.000 0.236 0.000 1.212 261 F CB -0.337 38.814 39.000 0.251 0.000 0.975 261 F HN 0.161 nan 8.300 nan 0.000 0.476 262 L N 0.104 121.541 121.223 0.357 0.000 1.989 262 L HA -0.277 4.060 4.340 -0.004 0.000 0.211 262 L C 2.505 179.447 176.870 0.120 0.000 1.071 262 L CA 1.712 56.724 54.840 0.286 0.000 0.749 262 L CB -0.778 41.460 42.059 0.299 0.000 0.890 262 L HN 0.207 nan 8.230 nan 0.000 0.431 263 I N -1.151 119.453 120.570 0.057 0.000 2.423 263 I HA -0.365 3.802 4.170 -0.004 0.000 0.254 263 I C 2.598 178.764 176.117 0.082 0.000 1.151 263 I CA 1.021 62.354 61.300 0.054 0.000 1.421 263 I CB -0.345 37.669 38.000 0.024 0.000 1.079 263 I HN 0.452 nan 8.210 nan 0.000 0.431 264 C N -0.658 118.531 119.300 -0.186 0.000 2.533 264 C HA -0.024 4.433 4.460 -0.004 0.000 0.272 264 C C 2.079 176.642 174.990 -0.712 0.000 1.371 264 C CA -0.038 58.633 59.018 -0.578 0.000 1.758 264 C CB -0.906 26.305 27.740 -0.882 0.000 1.972 264 C HN 0.669 nan 8.230 nan 0.000 0.522 265 W N -1.618 119.526 121.300 -0.261 0.000 2.865 265 W HA 0.312 4.970 4.660 -0.004 0.000 0.300 265 W C 1.757 178.274 176.519 -0.003 0.000 1.096 265 W CA -0.388 56.836 57.345 -0.202 0.000 1.524 265 W CB -0.270 28.880 29.460 -0.517 0.000 0.991 265 W HN -0.028 nan 8.180 nan 0.000 0.571 266 L N 2.108 123.470 121.223 0.232 0.000 2.046 266 L HA -0.109 4.228 4.340 -0.004 0.000 0.208 266 L C -0.238 176.718 176.870 0.144 0.000 1.077 266 L CA 1.968 56.944 54.840 0.227 0.000 0.747 266 L CB -2.011 40.166 42.059 0.197 0.000 0.896 266 L HN -0.188 nan 8.230 nan 0.000 0.432 267 P HA -0.226 nan 4.420 nan 0.000 0.219 267 P C 1.548 178.871 177.300 0.038 0.000 1.150 267 P CA 1.351 64.485 63.100 0.058 0.000 0.814 267 P CB -0.138 31.593 31.700 0.052 0.000 0.787 268 Y N 1.435 121.744 120.300 0.014 0.000 2.220 268 Y HA 0.025 4.572 4.550 -0.004 0.000 0.291 268 Y C 2.581 178.471 175.900 -0.017 0.000 1.129 268 Y CA 1.629 59.735 58.100 0.010 0.000 1.161 268 Y CB -0.958 37.566 38.460 0.108 0.000 0.997 268 Y HN -0.086 nan 8.280 nan 0.000 0.522 269 A N 0.164 123.008 122.820 0.041 0.000 1.902 269 A HA -0.086 4.232 4.320 -0.004 0.000 0.217 269 A C 2.466 180.008 177.584 -0.069 0.000 1.181 269 A CA 1.707 53.687 52.037 -0.095 0.000 0.623 269 A CB -1.692 17.169 19.000 -0.231 0.000 0.818 269 A HN 0.586 nan 8.150 nan 0.000 0.443 270 G N -0.554 108.224 108.800 -0.037 0.000 2.421 270 G HA2 -0.128 3.830 3.960 -0.004 0.000 0.216 270 G HA3 -0.128 3.830 3.960 -0.004 0.000 0.216 270 G C 1.444 176.293 174.900 -0.086 0.000 1.171 270 G CA 1.322 46.413 45.100 -0.014 0.000 0.775 270 G HN 0.359 nan 8.290 nan 0.000 0.543 271 V N 1.229 120.980 119.914 -0.272 0.000 2.809 271 V HA 0.017 4.135 4.120 -0.004 0.000 0.256 271 V C 3.119 178.940 176.094 -0.455 0.000 1.080 271 V CA 1.635 63.654 62.300 -0.468 0.000 1.102 271 V CB -0.383 30.967 31.823 -0.788 0.000 0.705 271 V HN 0.480 nan 8.190 nan 0.000 0.475 272 A N -0.525 121.973 122.820 -0.538 0.000 1.898 272 A HA -0.101 4.217 4.320 -0.004 0.000 0.214 272 A C 2.037 179.377 177.584 -0.407 0.000 1.183 272 A CA 1.217 52.787 52.037 -0.779 0.000 0.622 272 A CB -0.562 17.735 19.000 -1.171 0.000 0.824 272 A HN 0.462 nan 8.150 nan 0.000 0.444 273 F N -0.939 118.825 119.950 -0.310 0.000 2.186 273 F HA -0.115 4.410 4.527 -0.004 0.000 0.299 273 F C 2.038 177.789 175.800 -0.082 0.000 1.090 273 F CA 1.522 59.322 58.000 -0.334 0.000 1.307 273 F CB -0.427 38.311 39.000 -0.436 0.000 1.019 273 F HN 0.395 nan 8.300 nan 0.000 0.489 274 Y N 0.684 120.915 120.300 -0.116 0.000 2.070 274 Y HA -0.251 4.296 4.550 -0.004 0.000 0.279 274 Y C 2.318 178.164 175.900 -0.091 0.000 1.134 274 Y CA 2.220 60.256 58.100 -0.107 0.000 1.113 274 Y CB -0.754 37.651 38.460 -0.090 0.000 0.981 274 Y HN 0.052 nan 8.280 nan 0.000 0.487 275 I N -0.691 119.865 120.570 -0.023 0.000 2.113 275 I HA -0.397 3.770 4.170 -0.004 0.000 0.242 275 I C 2.320 178.369 176.117 -0.113 0.000 1.064 275 I CA 1.997 63.211 61.300 -0.144 0.000 1.320 275 I CB -0.689 37.061 38.000 -0.417 0.000 1.028 275 I HN 0.292 nan 8.210 nan 0.000 0.406 276 F N 1.986 121.761 119.950 -0.292 0.000 2.154 276 F HA -0.270 4.254 4.527 -0.004 0.000 0.301 276 F C 2.560 178.178 175.800 -0.303 0.000 1.087 276 F CA 2.025 59.876 58.000 -0.248 0.000 1.274 276 F CB -0.593 38.238 39.000 -0.281 0.000 1.009 276 F HN 0.161 nan 8.300 nan 0.000 0.485 277 T N -3.681 110.626 114.554 -0.412 0.000 3.163 277 T HA 0.125 4.473 4.350 -0.004 0.000 0.252 277 T C -0.022 174.410 174.700 -0.446 0.000 1.056 277 T CA 0.284 62.097 62.100 -0.478 0.000 0.947 277 T CB -0.556 68.045 68.868 -0.445 0.000 1.016 277 T HN 0.390 nan 8.240 nan 0.000 0.554 278 H N 0.820 119.632 119.070 -0.430 0.000 3.074 278 H HA 0.286 4.840 4.556 -0.004 0.000 0.227 278 H C -0.404 174.871 175.328 -0.087 0.000 1.365 278 H CA -0.867 54.989 56.048 -0.320 0.000 1.078 278 H CB 0.003 29.422 29.762 -0.573 0.000 2.347 278 H HN 0.424 nan 8.280 nan 0.000 0.567 279 Q N 0.427 120.197 119.800 -0.049 0.000 2.286 279 Q HA 0.251 4.589 4.340 -0.004 0.000 0.290 279 Q C 0.954 176.988 176.000 0.056 0.000 1.049 279 Q CA 1.117 56.928 55.803 0.012 0.000 0.923 279 Q CB 0.672 29.355 28.738 -0.093 0.000 1.183 279 Q HN 0.737 nan 8.270 nan 0.000 0.383 280 G N 1.794 110.670 108.800 0.126 0.000 2.179 280 G HA2 -0.333 3.625 3.960 -0.004 0.000 0.260 280 G HA3 -0.333 3.625 3.960 -0.004 0.000 0.260 280 G C 0.316 175.276 174.900 0.100 0.000 0.977 280 G CA 0.269 45.448 45.100 0.133 0.000 0.641 280 G HN 0.785 nan 8.290 nan 0.000 0.533 281 S N -0.473 115.324 115.700 0.163 0.000 2.608 281 S HA 0.462 4.930 4.470 -0.004 0.000 0.261 281 S C -0.008 174.596 174.600 0.006 0.000 1.314 281 S CA 0.259 58.550 58.200 0.152 0.000 0.992 281 S CB 1.639 65.022 63.200 0.305 0.000 0.935 281 S HN 0.278 nan 8.310 nan 0.000 0.564 282 D N 0.946 121.357 120.400 0.018 0.000 2.517 282 D HA 0.373 5.011 4.640 -0.004 0.000 0.220 282 D C -0.768 175.510 176.300 -0.036 0.000 1.158 282 D CA -0.546 53.405 54.000 -0.082 0.000 0.992 282 D CB -0.887 39.887 40.800 -0.044 0.000 1.058 282 D HN 0.446 nan 8.370 nan 0.000 0.516 283 F N -0.056 119.947 119.950 0.089 0.000 2.538 283 F HA 0.867 5.391 4.527 -0.004 0.000 0.325 283 F C 0.632 176.511 175.800 0.133 0.000 1.066 283 F CA -1.238 56.757 58.000 -0.009 0.000 0.946 283 F CB 1.002 39.968 39.000 -0.057 0.000 1.199 283 F HN 0.062 nan 8.300 nan 0.000 0.473 284 G N 0.304 109.311 108.800 0.345 0.000 2.671 284 G HA2 0.516 4.473 3.960 -0.004 0.000 0.275 284 G HA3 0.516 4.473 3.960 -0.004 0.000 0.275 284 G C -2.159 173.012 174.900 0.452 0.000 1.368 284 G CA -1.627 43.673 45.100 0.333 0.000 1.044 284 G HN 0.475 nan 8.290 nan 0.000 0.543 285 P HA -0.049 nan 4.420 nan 0.000 0.215 285 P C 1.885 179.297 177.300 0.187 0.000 1.157 285 P CA 0.835 64.074 63.100 0.232 0.000 0.859 285 P CB 0.171 31.923 31.700 0.087 0.000 0.786 286 I N -1.181 119.466 120.570 0.128 0.000 2.361 286 I HA -0.203 3.964 4.170 -0.004 0.000 0.251 286 I C 2.433 178.659 176.117 0.182 0.000 1.133 286 I CA 0.936 62.280 61.300 0.074 0.000 1.413 286 I CB -1.835 36.183 38.000 0.029 0.000 1.073 286 I HN -0.138 nan 8.210 nan 0.000 0.424 287 F N 1.927 121.930 119.950 0.088 0.000 2.045 287 F HA -0.323 4.201 4.527 -0.004 0.000 0.297 287 F C 2.553 178.386 175.800 0.056 0.000 1.114 287 F CA 2.371 60.411 58.000 0.067 0.000 1.207 287 F CB -0.428 38.645 39.000 0.122 0.000 0.964 287 F HN 0.080 nan 8.300 nan 0.000 0.486 288 M N -0.533 119.106 119.600 0.065 0.000 2.486 288 M HA 0.029 4.506 4.480 -0.004 0.000 0.264 288 M C 1.903 178.293 176.300 0.150 0.000 1.125 288 M CA 1.443 56.739 55.300 -0.007 0.000 1.144 288 M CB -0.940 31.753 32.600 0.153 0.000 1.353 288 M HN 0.069 nan 8.290 nan 0.000 0.466 289 T N 1.554 116.205 114.554 0.161 0.000 2.635 289 T HA -0.150 4.198 4.350 -0.004 0.000 0.267 289 T C 1.801 176.597 174.700 0.160 0.000 1.040 289 T CA 1.977 64.174 62.100 0.161 0.000 1.156 289 T CB -0.369 68.475 68.868 -0.041 0.000 0.863 289 T HN 0.279 nan 8.240 nan 0.000 0.430 290 I N 1.996 122.596 120.570 0.051 0.000 2.099 290 I HA -0.108 4.060 4.170 -0.004 0.000 0.239 290 I C -0.306 175.882 176.117 0.119 0.000 1.066 290 I CA 1.446 62.763 61.300 0.028 0.000 1.324 290 I CB -2.762 35.220 38.000 -0.029 0.000 1.037 290 I HN 0.242 nan 8.210 nan 0.000 0.401 291 P HA -0.106 nan 4.420 nan 0.000 0.217 291 P C 1.623 179.076 177.300 0.254 0.000 1.150 291 P CA 1.988 65.196 63.100 0.179 0.000 0.832 291 P CB 0.046 31.798 31.700 0.088 0.000 0.787 292 A N -0.287 122.724 122.820 0.319 0.000 1.865 292 A HA -0.172 4.146 4.320 -0.004 0.000 0.217 292 A C 2.082 179.700 177.584 0.056 0.000 1.191 292 A CA 1.513 53.705 52.037 0.257 0.000 0.623 292 A CB -1.789 17.435 19.000 0.373 0.000 0.826 292 A HN 0.063 nan 8.150 nan 0.000 0.444 293 F N -1.692 118.286 119.950 0.047 0.000 2.325 293 F HA 0.012 4.537 4.527 -0.004 0.000 0.299 293 F C 1.872 177.741 175.800 0.114 0.000 1.090 293 F CA 0.892 58.934 58.000 0.071 0.000 1.392 293 F CB -0.433 38.598 39.000 0.052 0.000 1.053 293 F HN 0.380 nan 8.300 nan 0.000 0.521 294 F N 0.810 120.802 119.950 0.071 0.000 2.206 294 F HA -0.001 4.523 4.527 -0.004 0.000 0.298 294 F C 2.217 177.922 175.800 -0.158 0.000 1.090 294 F CA 1.032 59.027 58.000 -0.008 0.000 1.323 294 F CB -0.759 38.196 39.000 -0.075 0.000 1.028 294 F HN -0.108 nan 8.300 nan 0.000 0.492 295 A N 0.472 122.948 122.820 -0.573 0.000 2.070 295 A HA -0.174 4.144 4.320 -0.004 0.000 0.220 295 A C 2.124 179.211 177.584 -0.827 0.000 1.159 295 A CA 1.387 52.762 52.037 -1.104 0.000 0.656 295 A CB -0.760 17.455 19.000 -1.308 0.000 0.800 295 A HN 0.491 nan 8.150 nan 0.000 0.453 296 K N -0.036 120.103 120.400 -0.434 0.000 2.515 296 K HA -0.072 4.245 4.320 -0.004 0.000 0.196 296 K C 1.672 178.218 176.600 -0.090 0.000 1.038 296 K CA 1.332 57.497 56.287 -0.203 0.000 0.967 296 K CB -0.300 31.933 32.500 -0.445 0.000 0.780 296 K HN 0.734 nan 8.250 nan 0.000 0.483 297 T N -1.507 112.906 114.554 -0.235 0.000 3.072 297 T HA -0.089 4.259 4.350 -0.004 0.000 0.266 297 T C 1.884 176.605 174.700 0.036 0.000 1.127 297 T CA 1.010 63.048 62.100 -0.103 0.000 1.107 297 T CB -0.243 68.522 68.868 -0.172 0.000 0.910 297 T HN 0.167 nan 8.240 nan 0.000 0.513 298 S N 1.784 117.476 115.700 -0.013 0.000 2.465 298 S HA 0.050 4.517 4.470 -0.004 0.000 0.241 298 S C 2.202 176.779 174.600 -0.039 0.000 1.000 298 S CA 0.607 58.896 58.200 0.148 0.000 0.964 298 S CB -0.710 62.655 63.200 0.274 0.000 0.763 298 S HN 0.727 nan 8.310 nan 0.000 0.512 299 A N 0.842 123.675 122.820 0.023 0.000 2.167 299 A HA 0.365 4.683 4.320 -0.004 0.000 0.214 299 A C 2.108 179.643 177.584 -0.082 0.000 1.151 299 A CA 0.920 52.923 52.037 -0.056 0.000 0.735 299 A CB -0.355 18.601 19.000 -0.072 0.000 0.802 299 A HN 1.209 nan 8.150 nan 0.000 0.467 300 V N -3.394 116.489 119.914 -0.051 0.000 3.426 300 V HA 0.116 4.234 4.120 -0.004 0.000 0.271 300 V C 1.746 177.828 176.094 -0.020 0.000 1.530 300 V CA 0.756 63.035 62.300 -0.035 0.000 1.021 300 V CB -1.110 30.723 31.823 0.017 0.000 0.824 300 V HN 0.552 nan 8.190 nan 0.000 0.432 301 Y N 2.006 122.310 120.300 0.008 0.000 2.242 301 Y HA 0.118 4.666 4.550 -0.004 0.000 0.291 301 Y C 1.908 177.832 175.900 0.040 0.000 1.137 301 Y CA 1.839 59.953 58.100 0.022 0.000 1.181 301 Y CB -1.512 36.951 38.460 0.006 0.000 0.989 301 Y HN 0.313 nan 8.280 nan 0.000 0.527 302 N N 1.765 120.139 118.700 -0.544 0.000 2.018 302 N HA -0.146 4.591 4.740 -0.004 0.000 0.196 302 N C -0.961 174.521 175.510 -0.047 0.000 1.043 302 N CA 2.322 55.214 53.050 -0.263 0.000 0.856 302 N CB -1.148 37.114 38.487 -0.375 0.000 1.042 302 N HN 0.291 nan 8.380 nan 0.000 0.423 303 P HA -0.116 nan 4.420 nan 0.000 0.217 303 P C 1.084 178.469 177.300 0.141 0.000 1.148 303 P CA 0.865 64.010 63.100 0.075 0.000 0.828 303 P CB 0.105 31.834 31.700 0.048 0.000 0.783 304 V N -0.660 119.321 119.914 0.112 0.000 2.427 304 V HA -0.203 3.914 4.120 -0.004 0.000 0.248 304 V C 2.290 178.471 176.094 0.146 0.000 1.051 304 V CA 1.516 63.891 62.300 0.125 0.000 1.048 304 V CB -1.037 30.860 31.823 0.124 0.000 0.666 304 V HN 0.086 nan 8.190 nan 0.000 0.456 305 I N -1.128 119.544 120.570 0.170 0.000 2.315 305 I HA -0.221 3.947 4.170 -0.004 0.000 0.248 305 I C 2.474 178.707 176.117 0.194 0.000 1.117 305 I CA 1.649 63.052 61.300 0.170 0.000 1.404 305 I CB -0.475 37.637 38.000 0.187 0.000 1.071 305 I HN 0.316 nan 8.210 nan 0.000 0.419 306 Y N 2.115 122.425 120.300 0.016 0.000 2.049 306 Y HA -0.241 4.307 4.550 -0.004 0.000 0.277 306 Y C 2.400 178.339 175.900 0.064 0.000 1.143 306 Y CA 1.466 59.546 58.100 -0.033 0.000 1.115 306 Y CB -0.641 37.710 38.460 -0.181 0.000 0.975 306 Y HN 0.016 nan 8.280 nan 0.000 0.487 307 I N -0.424 120.230 120.570 0.141 0.000 2.264 307 I HA -0.343 3.825 4.170 -0.004 0.000 0.248 307 I C 2.067 178.223 176.117 0.065 0.000 1.111 307 I CA 1.192 62.552 61.300 0.099 0.000 1.382 307 I CB -0.399 37.676 38.000 0.125 0.000 1.060 307 I HN 0.255 nan 8.210 nan 0.000 0.418 308 M N -0.677 118.974 119.600 0.085 0.000 2.447 308 M HA 0.032 4.510 4.480 -0.004 0.000 0.264 308 M C 1.744 178.085 176.300 0.068 0.000 1.095 308 M CA 1.388 56.729 55.300 0.068 0.000 1.125 308 M CB -0.463 32.182 32.600 0.075 0.000 1.389 308 M HN 0.262 nan 8.290 nan 0.000 0.459 309 M N -0.872 118.782 119.600 0.089 0.000 2.405 309 M HA 0.180 4.658 4.480 -0.004 0.000 0.292 309 M C 0.150 176.503 176.300 0.088 0.000 1.111 309 M CA 0.024 55.377 55.300 0.088 0.000 0.979 309 M CB 0.402 33.065 32.600 0.104 0.000 1.426 309 M HN 0.078 nan 8.290 nan 0.000 0.509 310 N N 1.355 120.094 118.700 0.066 0.000 2.648 310 N HA 0.102 4.840 4.740 -0.004 0.000 0.261 310 N C 0.307 175.832 175.510 0.025 0.000 1.138 310 N CA 0.145 53.229 53.050 0.056 0.000 0.804 310 N CB 1.340 39.857 38.487 0.049 0.000 1.237 310 N HN -0.056 nan 8.380 nan 0.000 0.532 311 K N 2.256 122.673 120.400 0.029 0.000 2.052 311 K HA -0.240 4.078 4.320 -0.004 0.000 0.215 311 K C 1.721 178.320 176.600 -0.001 0.000 1.053 311 K CA 1.983 58.276 56.287 0.011 0.000 0.934 311 K CB -0.084 32.426 32.500 0.017 0.000 0.717 311 K HN 0.643 nan 8.250 nan 0.000 0.450 312 Q N -1.096 118.717 119.800 0.020 0.000 1.975 312 Q HA -0.215 4.122 4.340 -0.004 0.000 0.205 312 Q C 2.074 178.066 176.000 -0.013 0.000 0.990 312 Q CA 2.224 58.039 55.803 0.021 0.000 0.845 312 Q CB -0.422 28.351 28.738 0.059 0.000 0.913 312 Q HN 0.410 nan 8.270 nan 0.000 0.420 313 F N 1.161 121.001 119.950 -0.183 0.000 2.126 313 F HA -0.214 4.310 4.527 -0.004 0.000 0.299 313 F C 2.502 178.137 175.800 -0.275 0.000 1.096 313 F CA 2.020 59.830 58.000 -0.317 0.000 1.255 313 F CB -0.218 38.343 39.000 -0.732 0.000 0.997 313 F HN 0.045 nan 8.300 nan 0.000 0.479 314 R N 0.292 120.673 120.500 -0.199 0.000 2.081 314 R HA -0.177 4.161 4.340 -0.004 0.000 0.235 314 R C 2.112 178.282 176.300 -0.217 0.000 1.131 314 R CA 1.760 57.736 56.100 -0.207 0.000 0.960 314 R CB -0.433 29.820 30.300 -0.079 0.000 0.856 314 R HN 0.285 nan 8.270 nan 0.000 0.436 315 N N 0.040 118.649 118.700 -0.151 0.000 2.244 315 N HA -0.139 4.598 4.740 -0.004 0.000 0.183 315 N C 1.704 177.139 175.510 -0.125 0.000 1.016 315 N CA 1.313 54.300 53.050 -0.105 0.000 0.866 315 N CB -0.239 38.217 38.487 -0.052 0.000 0.980 315 N HN 0.321 nan 8.380 nan 0.000 0.430 316 C N 0.826 120.003 119.300 -0.206 0.000 2.457 316 C HA 0.051 4.509 4.460 -0.004 0.000 0.278 316 C C 2.790 177.565 174.990 -0.359 0.000 1.309 316 C CA 0.187 59.092 59.018 -0.189 0.000 1.735 316 C CB -0.821 26.713 27.740 -0.343 0.000 1.992 316 C HN 0.467 nan 8.230 nan 0.000 0.493 317 M N 0.372 119.644 119.600 -0.547 0.000 2.132 317 M HA -0.116 4.362 4.480 -0.004 0.000 0.263 317 M C 2.031 178.197 176.300 -0.224 0.000 1.065 317 M CA 1.823 56.846 55.300 -0.462 0.000 1.122 317 M CB -0.128 32.161 32.600 -0.518 0.000 1.365 317 M HN 0.230 nan 8.290 nan 0.000 0.411 318 V N 0.195 120.007 119.914 -0.171 0.000 2.295 318 V HA -0.257 3.860 4.120 -0.004 0.000 0.246 318 V C 2.268 178.330 176.094 -0.054 0.000 1.049 318 V CA 2.333 64.577 62.300 -0.094 0.000 1.024 318 V CB -1.235 30.544 31.823 -0.074 0.000 0.648 318 V HN 0.541 nan 8.190 nan 0.000 0.447 319 T N -0.452 114.084 114.554 -0.031 0.000 2.759 319 T HA -0.209 4.138 4.350 -0.004 0.000 0.269 319 T C 1.947 176.672 174.700 0.041 0.000 1.042 319 T CA 2.151 64.261 62.100 0.017 0.000 1.140 319 T CB -0.343 68.562 68.868 0.063 0.000 0.864 319 T HN 0.553 nan 8.240 nan 0.000 0.455 320 T N 2.069 116.655 114.554 0.052 0.000 2.770 320 T HA 0.111 4.458 4.350 -0.004 0.000 0.263 320 T C 1.986 176.690 174.700 0.007 0.000 1.039 320 T CA 0.760 62.908 62.100 0.080 0.000 1.142 320 T CB -0.353 68.557 68.868 0.070 0.000 0.868 320 T HN 0.244 nan 8.240 nan 0.000 0.435 321 L N 0.597 121.794 121.223 -0.043 0.000 2.093 321 L HA -0.047 4.290 4.340 -0.004 0.000 0.208 321 L C 1.840 178.690 176.870 -0.033 0.000 1.085 321 L CA 0.731 55.538 54.840 -0.054 0.000 0.755 321 L CB -0.495 41.524 42.059 -0.067 0.000 0.904 321 L HN 0.309 nan 8.230 nan 0.000 0.435 322 C N -0.276 119.009 119.300 -0.024 0.000 2.340 322 C HA 0.182 4.640 4.460 -0.004 0.000 0.375 322 C C 1.583 176.568 174.990 -0.008 0.000 1.306 322 C CA -1.388 57.620 59.018 -0.017 0.000 1.622 322 C CB -2.433 25.297 27.740 -0.017 0.000 1.719 322 C HN 0.696 nan 8.230 nan 0.000 0.592 323 C N 0.252 119.550 119.300 -0.003 0.000 0.168 323 C HA -0.228 4.230 4.460 -0.004 0.000 0.017 323 C C 2.688 177.684 174.990 0.010 0.000 0.171 323 C CA 1.050 60.073 59.018 0.008 0.000 0.499 323 C CB -1.575 26.166 27.740 0.003 0.000 3.212 323 C HN 0.764 nan 8.230 nan 0.000 1.118 324 G N 0.993 109.797 108.800 0.006 0.000 2.913 324 G HA2 -0.363 3.594 3.960 -0.004 0.000 0.285 324 G HA3 -0.363 3.594 3.960 -0.004 0.000 0.285 324 G C 0.588 175.484 174.900 -0.008 0.000 1.081 324 G CA 3.173 48.273 45.100 -0.001 0.000 0.784 324 G HN 1.225 nan 8.290 nan 0.000 0.705 325 K N -3.028 117.367 120.400 -0.008 0.000 2.733 325 K HA 0.109 4.427 4.320 -0.004 0.000 0.398 325 K C -0.950 175.643 176.600 -0.012 0.000 0.582 325 K CA 0.158 56.438 56.287 -0.012 0.000 0.553 325 K CB -0.543 31.944 32.500 -0.022 0.000 1.740 325 K HN 0.408 nan 8.250 nan 0.000 0.658 326 N N 1.361 120.053 118.700 -0.014 0.000 2.623 326 N HA -0.058 4.680 4.740 -0.004 0.000 0.271 326 N C -2.354 173.147 175.510 -0.015 0.000 1.206 326 N CA 0.761 53.803 53.050 -0.013 0.000 0.666 326 N CB -0.105 38.375 38.487 -0.012 0.000 0.887 326 N HN 0.378 nan 8.380 nan 0.000 0.554 327 P HA 0.002 nan 4.420 nan 0.000 0.249 327 P C 1.105 178.395 177.300 -0.017 0.000 1.229 327 P CA -0.068 63.021 63.100 -0.019 0.000 0.788 327 P CB 0.236 31.926 31.700 -0.018 0.000 1.072 328 L N -1.861 119.354 121.223 -0.014 0.000 7.357 328 L HA -0.256 4.082 4.340 -0.004 0.000 0.053 328 L C 2.050 178.914 176.870 -0.010 0.000 1.534 328 L CA 1.706 56.539 54.840 -0.011 0.000 1.544 328 L CB -2.550 39.502 42.059 -0.012 0.000 2.835 328 L HN 0.221 nan 8.230 nan 0.000 1.139 329 G N -0.060 108.735 108.800 -0.009 0.000 2.912 329 G HA2 -0.305 3.652 3.960 -0.004 0.000 0.214 329 G HA3 -0.305 3.652 3.960 -0.004 0.000 0.214 329 G C 0.969 175.865 174.900 -0.006 0.000 1.341 329 G CA 1.629 46.725 45.100 -0.007 0.000 0.794 329 G HN 0.782 nan 8.290 nan 0.000 0.691 330 D N -0.230 120.166 120.400 -0.007 0.000 2.084 330 D HA -0.036 4.601 4.640 -0.004 0.000 0.194 330 D C 1.850 178.146 176.300 -0.007 0.000 0.990 330 D CA 1.646 55.643 54.000 -0.005 0.000 0.826 330 D CB -0.196 40.601 40.800 -0.005 0.000 0.971 330 D HN 0.522 nan 8.370 nan 0.000 0.453 331 D N -1.110 119.284 120.400 -0.011 0.000 2.429 331 D HA -0.297 4.341 4.640 -0.004 0.000 0.162 331 D C 1.028 177.322 176.300 -0.010 0.000 1.615 331 D CA 2.140 56.132 54.000 -0.012 0.000 1.630 331 D CB -0.497 40.297 40.800 -0.010 0.000 1.347 331 D HN 0.329 nan 8.370 nan 0.000 0.454 332 E N -1.960 118.236 120.200 -0.006 0.000 1.187 332 E HA -0.016 4.332 4.350 -0.004 0.000 0.211 332 E C 0.835 177.437 176.600 0.003 0.000 1.052 332 E CA 1.953 58.352 56.400 -0.001 0.000 1.004 332 E CB -1.014 28.687 29.700 0.002 0.000 4.808 332 E HN 1.146 nan 8.360 nan 0.000 0.631 333 A N 0.086 122.907 122.820 0.002 0.000 3.172 333 A HA -0.215 4.103 4.320 -0.004 0.000 0.263 333 A C 0.556 178.143 177.584 0.005 0.000 1.215 333 A CA 2.068 54.107 52.037 0.003 0.000 1.065 333 A CB -1.803 17.199 19.000 0.004 0.000 1.148 333 A HN 0.394 nan 8.150 nan 0.000 0.904 334 S N -2.209 113.496 115.700 0.007 0.000 2.880 334 S HA 0.726 5.194 4.470 -0.004 0.000 0.308 334 S C 0.209 174.815 174.600 0.011 0.000 1.195 334 S CA -0.071 58.136 58.200 0.010 0.000 0.866 334 S CB 0.900 64.109 63.200 0.015 0.000 1.254 334 S HN 1.461 nan 8.310 nan 0.000 0.571 335 T N 1.061 115.623 114.554 0.014 0.000 2.855 335 T HA 0.491 4.838 4.350 -0.004 0.000 0.314 335 T C 0.327 175.038 174.700 0.019 0.000 1.077 335 T CA 0.043 62.152 62.100 0.015 0.000 1.095 335 T CB 0.030 68.909 68.868 0.019 0.000 0.987 335 T HN 0.789 nan 8.240 nan 0.000 0.546 336 T N -1.614 112.950 114.554 0.017 0.000 2.565 336 T HA 0.798 5.145 4.350 -0.004 0.000 0.266 336 T C -0.224 174.494 174.700 0.031 0.000 0.905 336 T CA -0.307 61.807 62.100 0.024 0.000 1.122 336 T CB 1.256 70.129 68.868 0.009 0.000 1.437 336 T HN 1.540 nan 8.240 nan 0.000 0.506 337 V N -1.040 118.895 119.914 0.035 0.000 3.155 337 V HA 0.647 4.765 4.120 -0.004 0.000 0.272 337 V C -1.741 174.288 176.094 -0.108 0.000 1.639 337 V CA 0.025 62.336 62.300 0.019 0.000 1.006 337 V CB 1.328 33.205 31.823 0.091 0.000 1.244 337 V HN 1.402 nan 8.190 nan 0.000 0.458 338 S N 3.230 118.734 115.700 -0.327 0.000 2.979 338 S HA 0.411 4.879 4.470 -0.004 0.000 0.302 338 S C -0.012 174.352 174.600 -0.394 0.000 1.250 338 S CA -0.047 57.607 58.200 -0.911 0.000 1.148 338 S CB 1.232 63.962 63.200 -0.783 0.000 1.409 338 S HN 0.990 nan 8.310 nan 0.000 0.517 339 K N 0.132 120.341 120.400 -0.319 0.000 2.391 339 K HA 0.351 4.668 4.320 -0.004 0.000 0.197 339 K C 0.951 177.486 176.600 -0.108 0.000 1.087 339 K CA 0.884 57.082 56.287 -0.148 0.000 1.012 339 K CB 0.544 32.983 32.500 -0.102 0.000 0.925 339 K HN 0.521 nan 8.250 nan 0.000 0.547 340 T N -0.837 113.645 114.554 -0.121 0.000 3.231 340 T HA -0.017 4.331 4.350 -0.004 0.000 0.269 340 T C 0.791 175.444 174.700 -0.078 0.000 0.849 340 T CA 0.401 62.453 62.100 -0.079 0.000 0.837 340 T CB -0.082 68.753 68.868 -0.056 0.000 1.254 340 T HN 0.351 nan 8.240 nan 0.000 0.640 341 E N 1.056 121.193 120.200 -0.106 0.000 1.999 341 E HA 0.028 4.376 4.350 -0.004 0.000 0.194 341 E C 1.148 177.706 176.600 -0.070 0.000 0.995 341 E CA 1.879 58.228 56.400 -0.086 0.000 0.825 341 E CB -0.387 29.251 29.700 -0.103 0.000 0.777 341 E HN 0.217 nan 8.360 nan 0.000 0.459 342 T N -0.765 113.741 114.554 -0.080 0.000 3.967 342 T HA 0.227 4.574 4.350 -0.004 0.000 0.262 342 T C -0.329 174.340 174.700 -0.052 0.000 0.966 342 T CA -0.301 61.766 62.100 -0.054 0.000 1.169 342 T CB -0.126 68.718 68.868 -0.040 0.000 1.038 342 T HN 0.135 nan 8.240 nan 0.000 0.541 343 S N 2.381 118.044 115.700 -0.063 0.000 2.754 343 S HA 0.055 4.523 4.470 -0.004 0.000 0.223 343 S C 1.062 175.645 174.600 -0.028 0.000 0.951 343 S CA -0.399 57.772 58.200 -0.049 0.000 0.954 343 S CB -0.164 62.998 63.200 -0.063 0.000 0.780 343 S HN 0.807 nan 8.310 nan 0.000 0.509 344 Q N 1.240 121.025 119.800 -0.026 0.000 2.310 344 Q HA 0.044 4.382 4.340 -0.004 0.000 0.315 344 Q C -0.224 175.770 176.000 -0.010 0.000 1.081 344 Q CA 0.259 56.052 55.803 -0.017 0.000 0.981 344 Q CB 0.085 28.814 28.738 -0.016 0.000 1.184 344 Q HN 0.085 nan 8.270 nan 0.000 0.389 345 V N 1.699 121.609 119.914 -0.007 0.000 2.775 345 V HA 0.376 4.494 4.120 -0.004 0.000 0.299 345 V C 0.650 176.742 176.094 -0.002 0.000 1.062 345 V CA 0.327 62.625 62.300 -0.002 0.000 1.063 345 V CB 1.118 32.940 31.823 -0.001 0.000 0.994 345 V HN 0.960 nan 8.190 nan 0.000 0.483 346 A N 3.482 126.302 122.820 0.001 0.000 2.806 346 A HA 0.563 4.880 4.320 -0.004 0.000 0.266 346 A C -1.212 176.372 177.584 0.000 0.000 0.926 346 A CA -0.542 51.495 52.037 -0.000 0.000 1.068 346 A CB -0.610 18.390 19.000 0.001 0.000 1.189 346 A HN 0.814 nan 8.150 nan 0.000 0.481 347 P HA 0.541 nan 4.420 nan 0.000 0.208 347 P C 0.708 178.007 177.300 -0.002 0.000 1.100 347 P CA 0.923 64.022 63.100 -0.002 0.000 0.673 347 P CB 0.279 31.978 31.700 -0.002 0.000 0.690 348 A N 0.000 122.818 122.820 -0.003 0.000 2.254 348 A HA 0.000 4.317 4.320 -0.004 0.000 0.244 348 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 348 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 348 A HN 0.000 nan 8.150 nan 0.000 0.486