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 2bo7_1_F DATA FIRST_RESID 2 DATA SEQUENCE SLVVFPFKHE HPEVLLHNVR VAAAHPRVHE VLCIGYERDQ TYEAVERAAP DATA SEQUENCE EISRATGTPV SVRLQERLGT LRPGKGDGMN TALRYFLEET QWERIHFYDA DATA SEQUENCE DITSFGPDWI TKAEEAADFG YGLVRHYFPR ASTDAMITWM ITRTGFALLW DATA SEQUENCE PHTELSWIEQ PLGGELLMRR EVAAMLYEDE RVRRRSDWGI DTLYTFVTVQ DATA SEQUENCE QGVSIYECYI PEGKAHRLXX XXXDLRTMLV ECFAAIQSLQ HEVVGQPAIH DATA SEQUENCE RQEHPHRVPV HIAERVGYDV EATLHRLMQH WTPRQVELLE LFTTPVREGL DATA SEQUENCE RTCQRRPAFN FMDEMAWAAT YHVLLEHFQP GDPDWEELLF KLWTTRVLNY DATA SEQUENCE TMTVALRGYD YAQQYLYRML GRYRYQAALE N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.395 174.600 -0.342 0.000 1.055 2 S CA 0.000 58.114 58.200 -0.144 0.000 1.107 2 S CB 0.000 63.191 63.200 -0.015 0.000 0.593 3 L N 2.494 123.638 121.223 -0.133 0.000 2.289 3 L HA 0.788 5.128 4.340 -0.000 0.000 0.285 3 L C -1.095 175.679 176.870 -0.159 0.000 1.049 3 L CA -0.169 54.596 54.840 -0.125 0.000 0.804 3 L CB 1.134 43.290 42.059 0.161 0.000 1.195 3 L HN 0.518 nan 8.230 nan 0.000 0.428 4 V N 5.967 125.759 119.914 -0.204 0.000 2.417 4 V HA 0.536 4.656 4.120 -0.000 0.000 0.291 4 V C -0.429 175.448 176.094 -0.361 0.000 1.024 4 V CA -0.609 61.518 62.300 -0.290 0.000 0.861 4 V CB 1.840 33.482 31.823 -0.301 0.000 0.985 4 V HN 0.550 nan 8.190 nan 0.000 0.436 5 V N 5.493 125.094 119.914 -0.521 0.000 2.495 5 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 5 V C -0.877 174.962 176.094 -0.424 0.000 1.031 5 V CA -0.509 61.542 62.300 -0.414 0.000 0.871 5 V CB 1.744 33.249 31.823 -0.530 0.000 0.988 5 V HN 0.707 nan 8.190 nan 0.000 0.432 6 F N 6.254 126.251 119.950 0.079 0.000 2.382 6 F HA 0.475 5.002 4.527 -0.000 0.000 0.361 6 F C -2.207 173.735 175.800 0.238 0.000 1.109 6 F CA -2.385 55.697 58.000 0.138 0.000 1.031 6 F CB 1.993 41.020 39.000 0.045 0.000 1.234 6 F HN 0.294 nan 8.300 nan 0.000 0.445 7 P HA 0.231 nan 4.420 nan 0.000 0.281 7 P C -1.070 176.430 177.300 0.334 0.000 1.252 7 P CA -0.174 63.105 63.100 0.299 0.000 0.778 7 P CB 0.798 32.626 31.700 0.213 0.000 0.895 8 F N 1.438 121.453 119.950 0.108 0.000 2.576 8 F HA 0.687 5.214 4.527 -0.000 0.000 0.313 8 F C 0.431 176.245 175.800 0.023 0.000 1.078 8 F CA -1.151 56.889 58.000 0.066 0.000 0.921 8 F CB 1.873 40.907 39.000 0.057 0.000 1.232 8 F HN 0.188 nan 8.300 nan 0.000 0.459 9 K N 0.071 120.475 120.400 0.008 0.000 2.758 9 K HA 0.308 4.627 4.320 -0.000 0.000 0.247 9 K C -0.531 175.952 176.600 -0.196 0.000 1.155 9 K CA -0.282 55.849 56.287 -0.261 0.000 1.011 9 K CB 0.241 32.472 32.500 -0.448 0.000 1.633 9 K HN 0.750 nan 8.250 nan 0.000 0.438 10 H N 1.217 120.347 119.070 0.100 0.000 2.638 10 H HA 0.416 4.972 4.556 -0.000 0.000 0.317 10 H C -1.083 174.268 175.328 0.038 0.000 1.006 10 H CA -0.396 55.701 56.048 0.081 0.000 1.222 10 H CB 1.682 31.450 29.762 0.009 0.000 1.419 10 H HN 0.302 nan 8.280 nan 0.000 0.489 11 E N 0.754 121.032 120.200 0.130 0.000 2.408 11 E HA 0.248 4.598 4.350 -0.000 0.000 0.275 11 E C -1.069 175.473 176.600 -0.097 0.000 0.935 11 E CA -0.836 55.564 56.400 0.000 0.000 0.775 11 E CB 1.529 31.266 29.700 0.062 0.000 1.277 11 E HN 0.532 nan 8.360 nan 0.000 0.455 12 H N 2.446 121.523 119.070 0.013 0.000 3.026 12 H HA 0.070 4.626 4.556 -0.000 0.000 0.289 12 H C -1.644 173.648 175.328 -0.061 0.000 1.022 12 H CA -1.002 55.035 56.048 -0.018 0.000 1.477 12 H CB 0.532 30.279 29.762 -0.025 0.000 1.510 12 H HN 0.325 nan 8.280 nan 0.000 0.535 13 P HA -0.256 nan 4.420 nan 0.000 0.216 13 P C 1.012 178.275 177.300 -0.062 0.000 1.157 13 P CA 1.497 64.565 63.100 -0.054 0.000 0.880 13 P CB 0.362 32.043 31.700 -0.033 0.000 0.791 14 E N -0.708 119.480 120.200 -0.020 0.000 2.110 14 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 14 E C 1.996 178.571 176.600 -0.042 0.000 0.988 14 E CA 0.900 57.278 56.400 -0.037 0.000 0.804 14 E CB -1.679 27.997 29.700 -0.040 0.000 0.745 14 E HN 0.069 nan 8.360 nan 0.000 0.458 15 V N 1.004 120.899 119.914 -0.032 0.000 2.255 15 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 15 V C 2.214 178.241 176.094 -0.111 0.000 1.051 15 V CA 1.782 64.056 62.300 -0.044 0.000 1.018 15 V CB -0.593 31.230 31.823 0.000 0.000 0.641 15 V HN 0.228 nan 8.190 nan 0.000 0.445 16 L N -0.324 120.793 121.223 -0.177 0.000 2.017 16 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 16 L C 2.194 178.835 176.870 -0.381 0.000 1.073 16 L CA 1.804 56.434 54.840 -0.350 0.000 0.745 16 L CB -0.657 41.172 42.059 -0.382 0.000 0.894 16 L HN 0.206 nan 8.230 nan 0.000 0.432 17 L N -0.898 120.180 121.223 -0.243 0.000 2.079 17 L HA -0.269 4.070 4.340 -0.000 0.000 0.210 17 L C 2.710 179.488 176.870 -0.154 0.000 1.081 17 L CA 1.617 56.340 54.840 -0.195 0.000 0.752 17 L CB -0.973 41.011 42.059 -0.124 0.000 0.896 17 L HN 0.531 nan 8.230 nan 0.000 0.433 18 H N 0.723 119.679 119.070 -0.190 0.000 2.290 18 H HA -0.168 4.388 4.556 -0.000 0.000 0.298 18 H C 1.938 177.172 175.328 -0.158 0.000 1.087 18 H CA 1.970 57.932 56.048 -0.144 0.000 1.291 18 H CB 0.211 29.903 29.762 -0.116 0.000 1.369 18 H HN 0.363 nan 8.280 nan 0.000 0.492 19 N N 0.526 119.017 118.700 -0.348 0.000 2.120 19 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 19 N C 2.256 177.494 175.510 -0.453 0.000 1.024 19 N CA 1.125 53.883 53.050 -0.487 0.000 0.852 19 N CB -0.585 37.361 38.487 -0.901 0.000 1.003 19 N HN 0.183 nan 8.380 nan 0.000 0.424 20 V N 1.264 120.849 119.914 -0.548 0.000 2.332 20 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 20 V C 2.506 178.541 176.094 -0.098 0.000 1.055 20 V CA 1.558 63.703 62.300 -0.258 0.000 1.038 20 V CB -0.411 31.262 31.823 -0.251 0.000 0.651 20 V HN 0.226 nan 8.190 nan 0.000 0.450 21 R N -0.592 119.816 120.500 -0.153 0.000 2.092 21 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 21 R C 2.209 178.448 176.300 -0.102 0.000 1.119 21 R CA 1.297 57.330 56.100 -0.112 0.000 0.970 21 R CB -0.391 29.837 30.300 -0.119 0.000 0.864 21 R HN 0.395 nan 8.270 nan 0.000 0.440 22 V N 0.566 120.384 119.914 -0.160 0.000 2.255 22 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 22 V C 2.338 178.452 176.094 0.034 0.000 1.051 22 V CA 2.087 64.326 62.300 -0.101 0.000 1.018 22 V CB -0.742 30.996 31.823 -0.141 0.000 0.641 22 V HN 0.512 nan 8.190 nan 0.000 0.445 23 A N -0.194 122.717 122.820 0.151 0.000 1.908 23 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 23 A C 2.386 180.004 177.584 0.056 0.000 1.181 23 A CA 2.218 54.340 52.037 0.142 0.000 0.627 23 A CB -0.791 18.353 19.000 0.239 0.000 0.818 23 A HN 0.602 nan 8.150 nan 0.000 0.445 24 A N -0.428 122.416 122.820 0.039 0.000 1.969 24 A HA 0.256 4.576 4.320 -0.000 0.000 0.218 24 A C 2.358 179.949 177.584 0.012 0.000 1.169 24 A CA 1.726 53.771 52.037 0.014 0.000 0.635 24 A CB -0.765 18.238 19.000 0.006 0.000 0.810 24 A HN 1.060 nan 8.150 nan 0.000 0.445 25 A N -1.550 121.274 122.820 0.007 0.000 2.167 25 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 25 A C 1.185 178.765 177.584 -0.006 0.000 1.151 25 A CA 0.209 52.241 52.037 -0.009 0.000 0.735 25 A CB -0.581 18.399 19.000 -0.033 0.000 0.802 25 A HN 0.603 nan 8.150 nan 0.000 0.467 26 H N 1.006 120.033 119.070 -0.071 0.000 2.803 26 H HA 0.125 4.681 4.556 -0.000 0.000 0.330 26 H C -1.549 173.729 175.328 -0.084 0.000 1.057 26 H CA -1.444 54.555 56.048 -0.082 0.000 1.458 26 H CB 1.297 30.996 29.762 -0.104 0.000 1.470 26 H HN 0.113 nan 8.280 nan 0.000 0.560 27 P HA -0.102 nan 4.420 nan 0.000 0.221 27 P C 0.770 178.109 177.300 0.065 0.000 1.145 27 P CA 1.129 64.228 63.100 -0.001 0.000 0.795 27 P CB 0.299 31.957 31.700 -0.070 0.000 0.775 28 R N -0.712 119.929 120.500 0.235 0.000 2.334 28 R HA 0.197 4.537 4.340 -0.000 0.000 0.216 28 R C 0.162 176.218 176.300 -0.406 0.000 0.905 28 R CA -0.029 56.041 56.100 -0.050 0.000 1.064 28 R CB 0.437 30.781 30.300 0.073 0.000 1.046 28 R HN 0.065 nan 8.270 nan 0.000 0.508 29 V N 1.892 121.619 119.914 -0.312 0.000 2.383 29 V HA 0.090 4.209 4.120 -0.000 0.000 0.275 29 V C 0.624 176.461 176.094 -0.429 0.000 1.036 29 V CA -0.405 61.651 62.300 -0.406 0.000 0.889 29 V CB 1.293 32.970 31.823 -0.244 0.000 0.985 29 V HN 0.267 nan 8.190 nan 0.000 0.459 30 H N 2.664 121.484 119.070 -0.417 0.000 2.654 30 H HA 0.383 4.939 4.556 -0.000 0.000 0.264 30 H C 0.531 175.569 175.328 -0.483 0.000 0.954 30 H CA 0.214 55.923 56.048 -0.565 0.000 1.199 30 H CB 1.091 30.177 29.762 -1.127 0.000 1.446 30 H HN 0.702 nan 8.280 nan 0.000 0.516 31 E N 0.425 120.427 120.200 -0.330 0.000 2.363 31 E HA 0.391 4.741 4.350 -0.000 0.000 0.281 31 E C -1.671 174.898 176.600 -0.051 0.000 0.953 31 E CA -0.450 55.899 56.400 -0.084 0.000 0.778 31 E CB 2.582 32.350 29.700 0.113 0.000 1.220 31 E HN -0.170 nan 8.360 nan 0.000 0.431 32 V N 3.731 123.658 119.914 0.023 0.000 2.495 32 V HA 0.539 4.659 4.120 -0.000 0.000 0.298 32 V C -0.752 175.376 176.094 0.057 0.000 1.031 32 V CA -0.802 61.520 62.300 0.036 0.000 0.871 32 V CB 1.504 33.376 31.823 0.082 0.000 0.988 32 V HN 0.562 nan 8.190 nan 0.000 0.432 33 L N 5.362 126.609 121.223 0.040 0.000 2.381 33 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 33 L C -0.684 176.240 176.870 0.089 0.000 0.988 33 L CA 0.157 55.005 54.840 0.014 0.000 0.824 33 L CB 1.470 43.492 42.059 -0.061 0.000 1.263 33 L HN 0.754 nan 8.230 nan 0.000 0.410 34 C N 5.792 125.164 119.300 0.120 0.000 2.295 34 C HA 0.592 5.052 4.460 -0.000 0.000 0.331 34 C C 0.207 175.363 174.990 0.276 0.000 1.280 34 C CA -0.816 58.362 59.018 0.267 0.000 1.746 34 C CB 0.123 27.990 27.740 0.213 0.000 2.328 34 C HN 0.633 nan 8.230 nan 0.000 0.521 35 I N 3.247 123.985 120.570 0.281 0.000 2.355 35 I HA 0.442 4.612 4.170 -0.000 0.000 0.288 35 I C 0.778 176.742 176.117 -0.255 0.000 0.999 35 I CA 0.286 61.638 61.300 0.087 0.000 1.163 35 I CB 1.241 39.291 38.000 0.082 0.000 1.316 35 I HN 0.841 nan 8.210 nan 0.000 0.454 36 G N 3.610 112.137 108.800 -0.455 0.000 2.412 36 G HA2 0.196 4.156 3.960 -0.000 0.000 0.318 36 G HA3 0.196 4.156 3.960 -0.000 0.000 0.318 36 G C -0.133 174.520 174.900 -0.410 0.000 1.146 36 G CA -0.243 44.221 45.100 -1.060 0.000 0.882 36 G HN 0.624 nan 8.290 nan 0.000 0.501 37 Y N 0.697 120.681 120.300 -0.526 0.000 2.130 37 Y HA 0.094 4.644 4.550 -0.000 0.000 0.287 37 Y C 1.320 177.090 175.900 -0.217 0.000 1.124 37 Y CA 1.815 59.727 58.100 -0.314 0.000 1.118 37 Y CB 0.286 38.544 38.460 -0.337 0.000 0.994 37 Y HN 0.649 nan 8.280 nan 0.000 0.497 38 E N -0.380 119.740 120.200 -0.133 0.000 2.445 38 E HA 0.254 4.603 4.350 -0.000 0.000 0.273 38 E C -0.938 175.586 176.600 -0.125 0.000 0.961 38 E CA -1.142 55.150 56.400 -0.180 0.000 0.807 38 E CB 1.147 30.804 29.700 -0.071 0.000 1.362 38 E HN 0.093 nan 8.360 nan 0.000 0.453 39 R N 1.600 121.951 120.500 -0.248 0.000 3.701 39 R HA 0.058 4.398 4.340 -0.000 0.000 0.210 39 R C -0.569 175.712 176.300 -0.033 0.000 1.598 39 R CA -0.038 55.844 56.100 -0.364 0.000 1.427 39 R CB -0.484 29.537 30.300 -0.466 0.000 1.339 39 R HN 0.484 nan 8.270 nan 0.000 0.720 40 D N 0.196 120.688 120.400 0.154 0.000 2.475 40 D HA -0.040 4.600 4.640 -0.000 0.000 0.286 40 D C 0.670 177.097 176.300 0.212 0.000 1.205 40 D CA -0.178 53.939 54.000 0.196 0.000 1.092 40 D CB 0.305 41.275 40.800 0.283 0.000 1.147 40 D HN 0.193 nan 8.370 nan 0.000 0.575 41 Q N -1.111 118.794 119.800 0.175 0.000 2.049 41 Q HA -0.055 4.285 4.340 -0.000 0.000 0.198 41 Q C 2.091 178.170 176.000 0.132 0.000 0.971 41 Q CA 1.750 57.632 55.803 0.132 0.000 0.833 41 Q CB -0.259 28.528 28.738 0.081 0.000 0.896 41 Q HN 0.566 nan 8.270 nan 0.000 0.434 42 T N 0.416 115.058 114.554 0.147 0.000 2.620 42 T HA -0.286 4.064 4.350 -0.000 0.000 0.267 42 T C 1.435 176.159 174.700 0.041 0.000 1.044 42 T CA 1.823 63.954 62.100 0.052 0.000 1.161 42 T CB -0.712 68.209 68.868 0.087 0.000 0.862 42 T HN 0.352 nan 8.240 nan 0.000 0.438 43 Y N 1.912 122.324 120.300 0.186 0.000 2.081 43 Y HA -0.206 4.344 4.550 -0.000 0.000 0.280 43 Y C 2.472 178.425 175.900 0.088 0.000 1.163 43 Y CA 1.829 60.070 58.100 0.236 0.000 1.135 43 Y CB -0.322 38.313 38.460 0.292 0.000 0.970 43 Y HN 0.329 nan 8.280 nan 0.000 0.498 44 E N -0.389 120.003 120.200 0.321 0.000 2.106 44 E HA -0.179 4.170 4.350 -0.000 0.000 0.192 44 E C 2.339 178.975 176.600 0.060 0.000 0.984 44 E CA 0.806 57.324 56.400 0.197 0.000 0.806 44 E CB -0.326 29.469 29.700 0.159 0.000 0.750 44 E HN 0.569 nan 8.360 nan 0.000 0.458 45 A N 0.933 123.767 122.820 0.023 0.000 1.883 45 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 45 A C 2.513 180.045 177.584 -0.086 0.000 1.186 45 A CA 1.458 53.476 52.037 -0.032 0.000 0.624 45 A CB -0.790 18.183 19.000 -0.045 0.000 0.822 45 A HN 0.128 nan 8.150 nan 0.000 0.444 46 V N -0.143 119.675 119.914 -0.160 0.000 2.295 46 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 46 V C 2.501 178.499 176.094 -0.159 0.000 1.049 46 V CA 2.332 64.504 62.300 -0.213 0.000 1.024 46 V CB -0.842 30.769 31.823 -0.354 0.000 0.648 46 V HN 0.746 nan 8.190 nan 0.000 0.447 47 E N -0.083 120.023 120.200 -0.156 0.000 2.118 47 E HA -0.260 4.090 4.350 -0.000 0.000 0.195 47 E C 2.480 179.059 176.600 -0.034 0.000 0.992 47 E CA 1.380 57.725 56.400 -0.091 0.000 0.804 47 E CB -0.051 29.638 29.700 -0.018 0.000 0.741 47 E HN 0.454 nan 8.360 nan 0.000 0.458 48 R N -0.508 119.979 120.500 -0.022 0.000 2.066 48 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 48 R C 2.287 178.573 176.300 -0.023 0.000 1.131 48 R CA 1.196 57.290 56.100 -0.011 0.000 0.955 48 R CB -0.184 30.115 30.300 -0.003 0.000 0.851 48 R HN 0.154 nan 8.270 nan 0.000 0.432 49 A N 0.611 123.405 122.820 -0.043 0.000 2.014 49 A HA -0.014 4.306 4.320 -0.000 0.000 0.218 49 A C 2.246 179.805 177.584 -0.042 0.000 1.163 49 A CA 1.295 53.305 52.037 -0.045 0.000 0.652 49 A CB -0.445 18.516 19.000 -0.064 0.000 0.808 49 A HN 0.424 nan 8.150 nan 0.000 0.449 50 A N 0.856 123.646 122.820 -0.050 0.000 1.884 50 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 50 A C 0.290 177.865 177.584 -0.014 0.000 1.197 50 A CA 2.089 54.103 52.037 -0.038 0.000 0.637 50 A CB -1.839 17.134 19.000 -0.045 0.000 0.827 50 A HN 0.445 nan 8.150 nan 0.000 0.450 51 P HA -0.185 nan 4.420 nan 0.000 0.216 51 P C 1.545 178.847 177.300 0.003 0.000 1.153 51 P CA 1.485 64.588 63.100 0.005 0.000 0.858 51 P CB -0.039 31.666 31.700 0.007 0.000 0.789 52 E N -0.293 119.904 120.200 -0.004 0.000 2.031 52 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 52 E C 2.074 178.670 176.600 -0.007 0.000 0.994 52 E CA 1.073 57.470 56.400 -0.005 0.000 0.800 52 E CB -0.805 28.889 29.700 -0.009 0.000 0.752 52 E HN 0.190 nan 8.360 nan 0.000 0.447 53 I N 1.202 121.763 120.570 -0.014 0.000 2.127 53 I HA -0.323 3.846 4.170 -0.000 0.000 0.241 53 I C 2.433 178.547 176.117 -0.004 0.000 1.075 53 I CA 1.697 62.988 61.300 -0.016 0.000 1.334 53 I CB -0.464 37.518 38.000 -0.030 0.000 1.040 53 I HN 0.086 nan 8.210 nan 0.000 0.405 54 S N 0.354 116.057 115.700 0.004 0.000 2.447 54 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 54 S C 2.029 176.641 174.600 0.021 0.000 1.006 54 S CA 0.568 58.779 58.200 0.018 0.000 0.957 54 S CB -0.406 62.812 63.200 0.030 0.000 0.773 54 S HN 0.390 nan 8.310 nan 0.000 0.507 55 R N 1.362 121.871 120.500 0.015 0.000 2.066 55 R HA 0.078 4.418 4.340 -0.000 0.000 0.232 55 R C 2.484 178.791 176.300 0.012 0.000 1.131 55 R CA 1.239 57.348 56.100 0.015 0.000 0.955 55 R CB -0.623 29.684 30.300 0.012 0.000 0.851 55 R HN 0.511 nan 8.270 nan 0.000 0.432 56 A N -0.187 122.636 122.820 0.006 0.000 1.968 56 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 56 A C 1.930 179.516 177.584 0.004 0.000 1.169 56 A CA 1.853 53.892 52.037 0.003 0.000 0.638 56 A CB -0.316 18.683 19.000 -0.003 0.000 0.812 56 A HN 0.578 nan 8.150 nan 0.000 0.446 57 T N -5.893 108.665 114.554 0.006 0.000 3.001 57 T HA 0.421 4.771 4.350 -0.000 0.000 0.251 57 T C 1.476 176.188 174.700 0.019 0.000 1.040 57 T CA 1.078 63.182 62.100 0.008 0.000 0.985 57 T CB 0.352 69.222 68.868 0.004 0.000 1.011 57 T HN 1.608 nan 8.240 nan 0.000 0.509 58 G N 1.932 110.747 108.800 0.025 0.000 2.184 58 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.264 58 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.264 58 G C 0.304 175.234 174.900 0.051 0.000 0.975 58 G CA 0.604 45.726 45.100 0.038 0.000 0.642 58 G HN 1.300 nan 8.290 nan 0.000 0.536 59 T N -0.007 114.573 114.554 0.044 0.000 2.771 59 T HA 0.674 5.024 4.350 -0.000 0.000 0.281 59 T C -2.249 172.484 174.700 0.055 0.000 0.982 59 T CA -1.736 60.395 62.100 0.052 0.000 0.978 59 T CB 3.025 71.909 68.868 0.027 0.000 0.930 59 T HN 0.147 nan 8.240 nan 0.000 0.447 60 P HA 0.259 nan 4.420 nan 0.000 0.268 60 P C -0.810 176.538 177.300 0.080 0.000 1.205 60 P CA -0.337 62.820 63.100 0.095 0.000 0.771 60 P CB 0.742 32.531 31.700 0.149 0.000 0.858 61 V N 2.776 122.724 119.914 0.057 0.000 2.588 61 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 61 V C 0.219 176.326 176.094 0.022 0.000 1.042 61 V CA -0.322 62.000 62.300 0.036 0.000 0.877 61 V CB 1.798 33.627 31.823 0.011 0.000 0.996 61 V HN 0.831 nan 8.190 nan 0.000 0.425 62 S N 3.305 119.010 115.700 0.007 0.000 2.618 62 S HA 0.913 5.383 4.470 -0.000 0.000 0.277 62 S C -1.055 173.510 174.600 -0.059 0.000 1.138 62 S CA -0.816 57.370 58.200 -0.024 0.000 0.844 62 S CB 2.087 65.279 63.200 -0.012 0.000 1.127 62 S HN 0.590 nan 8.310 nan 0.000 0.474 63 V N 0.565 120.426 119.914 -0.088 0.000 2.715 63 V HA 0.797 4.917 4.120 -0.000 0.000 0.310 63 V C -0.312 175.769 176.094 -0.023 0.000 1.054 63 V CA -0.935 61.289 62.300 -0.126 0.000 0.928 63 V CB 1.396 32.951 31.823 -0.447 0.000 1.007 63 V HN 1.030 nan 8.190 nan 0.000 0.437 64 R N 2.192 122.739 120.500 0.079 0.000 2.707 64 R HA 0.581 4.921 4.340 -0.000 0.000 0.272 64 R C -1.794 174.664 176.300 0.264 0.000 1.011 64 R CA -1.018 55.191 56.100 0.181 0.000 0.893 64 R CB 1.580 31.903 30.300 0.038 0.000 1.233 64 R HN 0.384 nan 8.270 nan 0.000 0.464 65 L N 2.783 124.130 121.223 0.207 0.000 2.461 65 L HA 0.083 4.423 4.340 -0.000 0.000 0.272 65 L C 0.853 177.722 176.870 -0.002 0.000 1.197 65 L CA 0.202 55.064 54.840 0.037 0.000 0.836 65 L CB 0.346 42.359 42.059 -0.077 0.000 1.105 65 L HN 0.658 nan 8.230 nan 0.000 0.477 66 Q N 1.425 121.193 119.800 -0.053 0.000 2.392 66 Q HA 0.189 4.529 4.340 -0.000 0.000 0.262 66 Q C -0.700 175.280 176.000 -0.034 0.000 1.003 66 Q CA -0.216 55.568 55.803 -0.032 0.000 0.888 66 Q CB 0.717 29.424 28.738 -0.051 0.000 1.260 66 Q HN 0.508 nan 8.270 nan 0.000 0.435 67 E N 0.941 121.147 120.200 0.010 0.000 2.283 67 E HA 0.245 4.595 4.350 -0.000 0.000 0.267 67 E C -0.781 175.822 176.600 0.004 0.000 1.045 67 E CA -0.900 55.508 56.400 0.014 0.000 0.884 67 E CB 1.041 30.774 29.700 0.056 0.000 1.106 67 E HN 0.432 nan 8.360 nan 0.000 0.408 68 R N 2.466 122.963 120.500 -0.006 0.000 2.248 68 R HA 0.141 4.481 4.340 -0.000 0.000 0.337 68 R C -0.243 176.064 176.300 0.011 0.000 1.106 68 R CA 0.277 56.371 56.100 -0.011 0.000 0.959 68 R CB -0.221 30.063 30.300 -0.026 0.000 1.075 68 R HN 0.594 nan 8.270 nan 0.000 0.480 69 L N 2.528 123.763 121.223 0.021 0.000 2.672 69 L HA 0.441 4.781 4.340 -0.000 0.000 0.236 69 L C 1.181 178.052 176.870 0.001 0.000 1.092 69 L CA 0.027 54.886 54.840 0.032 0.000 0.887 69 L CB 0.633 42.743 42.059 0.085 0.000 1.168 69 L HN 0.715 nan 8.230 nan 0.000 0.502 70 G N -0.299 108.496 108.800 -0.008 0.000 2.828 70 G HA2 0.423 4.383 3.960 -0.000 0.000 0.244 70 G HA3 0.423 4.383 3.960 -0.000 0.000 0.244 70 G C 0.417 175.305 174.900 -0.021 0.000 1.365 70 G CA 0.598 45.685 45.100 -0.022 0.000 1.041 70 G HN 0.050 nan 8.290 nan 0.000 0.560 71 T N -2.411 112.129 114.554 -0.023 0.000 3.144 71 T HA 0.408 4.757 4.350 -0.000 0.000 0.290 71 T C 0.304 174.994 174.700 -0.016 0.000 0.966 71 T CA -0.195 61.893 62.100 -0.019 0.000 0.907 71 T CB 0.059 68.916 68.868 -0.019 0.000 1.152 71 T HN 0.146 nan 8.240 nan 0.000 0.532 72 L N 1.161 122.373 121.223 -0.019 0.000 2.902 72 L HA 0.596 4.936 4.340 -0.000 0.000 0.229 72 L C 0.822 177.685 176.870 -0.011 0.000 1.324 72 L CA -1.445 53.388 54.840 -0.012 0.000 1.230 72 L CB 0.174 42.225 42.059 -0.013 0.000 2.134 72 L HN 0.176 nan 8.230 nan 0.000 0.567 73 R N 1.047 121.544 120.500 -0.006 0.000 2.570 73 R HA 0.115 4.454 4.340 -0.000 0.000 0.277 73 R C -2.228 174.060 176.300 -0.020 0.000 1.039 73 R CA -1.166 54.932 56.100 -0.003 0.000 1.065 73 R CB 0.334 30.638 30.300 0.008 0.000 0.964 73 R HN 0.218 nan 8.270 nan 0.000 0.428 74 P HA 0.133 nan 4.420 nan 0.000 0.268 74 P C -0.680 176.640 177.300 0.034 0.000 1.485 74 P CA 0.039 63.140 63.100 0.001 0.000 1.102 74 P CB 1.126 32.827 31.700 0.001 0.000 1.501 75 G N 2.295 111.049 108.800 -0.077 0.000 3.264 75 G HA2 0.166 4.126 3.960 -0.000 0.000 0.168 75 G HA3 0.166 4.126 3.960 -0.000 0.000 0.168 75 G C 0.702 175.440 174.900 -0.269 0.000 1.145 75 G CA -0.370 44.600 45.100 -0.218 0.000 0.855 75 G HN 0.189 nan 8.290 nan 0.000 0.629 76 K N -0.282 119.809 120.400 -0.515 0.000 2.097 76 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 76 K C 2.393 178.845 176.600 -0.246 0.000 1.049 76 K CA 1.660 57.694 56.287 -0.423 0.000 0.933 76 K CB -0.790 31.326 32.500 -0.639 0.000 0.717 76 K HN 0.404 nan 8.250 nan 0.000 0.442 77 G N 1.408 110.063 108.800 -0.242 0.000 2.491 77 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.218 77 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.218 77 G C 1.108 175.960 174.900 -0.080 0.000 1.180 77 G CA 1.311 46.305 45.100 -0.177 0.000 0.774 77 G HN 0.329 nan 8.290 nan 0.000 0.562 78 D N 0.503 120.865 120.400 -0.063 0.000 2.123 78 D HA -0.079 4.561 4.640 -0.000 0.000 0.196 78 D C 2.658 178.970 176.300 0.019 0.000 0.992 78 D CA 1.330 55.324 54.000 -0.010 0.000 0.833 78 D CB -0.811 39.973 40.800 -0.026 0.000 0.954 78 D HN 0.304 nan 8.370 nan 0.000 0.455 79 G N 0.338 109.131 108.800 -0.012 0.000 2.459 79 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 79 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 79 G C 1.677 176.642 174.900 0.108 0.000 1.183 79 G CA 0.765 45.878 45.100 0.021 0.000 0.776 79 G HN 0.231 nan 8.290 nan 0.000 0.552 80 M N 0.109 119.759 119.600 0.082 0.000 2.200 80 M HA 0.014 4.494 4.480 -0.000 0.000 0.265 80 M C 2.339 178.818 176.300 0.298 0.000 1.066 80 M CA 1.067 56.464 55.300 0.161 0.000 1.127 80 M CB -0.283 32.252 32.600 -0.108 0.000 1.379 80 M HN 0.268 nan 8.290 nan 0.000 0.420 81 N N -0.662 118.184 118.700 0.244 0.000 2.331 81 N HA -0.098 4.642 4.740 -0.000 0.000 0.180 81 N C 1.401 177.109 175.510 0.329 0.000 1.019 81 N CA 1.286 54.545 53.050 0.348 0.000 0.881 81 N CB 0.021 38.688 38.487 0.300 0.000 0.972 81 N HN 0.266 nan 8.380 nan 0.000 0.435 82 T N 0.587 115.283 114.554 0.237 0.000 2.746 82 T HA -0.125 4.225 4.350 -0.000 0.000 0.267 82 T C 2.074 176.907 174.700 0.222 0.000 1.039 82 T CA 1.226 63.445 62.100 0.198 0.000 1.142 82 T CB -0.272 68.675 68.868 0.131 0.000 0.866 82 T HN 0.321 nan 8.240 nan 0.000 0.444 83 A N 1.328 124.309 122.820 0.268 0.000 1.877 83 A HA -0.034 4.286 4.320 -0.000 0.000 0.216 83 A C 2.198 179.972 177.584 0.317 0.000 1.186 83 A CA 1.216 53.427 52.037 0.291 0.000 0.620 83 A CB -0.920 18.281 19.000 0.335 0.000 0.822 83 A HN 0.337 nan 8.150 nan 0.000 0.443 84 L N -0.199 121.229 121.223 0.342 0.000 1.997 84 L HA -0.213 4.127 4.340 -0.000 0.000 0.216 84 L C 2.630 179.486 176.870 -0.024 0.000 1.074 84 L CA 2.249 57.240 54.840 0.251 0.000 0.763 84 L CB -0.854 41.391 42.059 0.310 0.000 0.890 84 L HN 0.450 nan 8.230 nan 0.000 0.434 85 R N -1.799 118.560 120.500 -0.235 0.000 2.070 85 R HA -0.250 4.090 4.340 -0.000 0.000 0.233 85 R C 2.427 178.657 176.300 -0.116 0.000 1.137 85 R CA 2.014 57.826 56.100 -0.480 0.000 0.945 85 R CB -0.665 29.501 30.300 -0.222 0.000 0.845 85 R HN 0.397 nan 8.270 nan 0.000 0.430 86 Y N 0.562 120.847 120.300 -0.026 0.000 2.128 86 Y HA -0.318 4.231 4.550 -0.000 0.000 0.284 86 Y C 2.045 177.983 175.900 0.063 0.000 1.154 86 Y CA 2.139 60.259 58.100 0.033 0.000 1.149 86 Y CB -0.759 37.753 38.460 0.087 0.000 0.976 86 Y HN 0.144 nan 8.280 nan 0.000 0.505 87 F N 0.362 120.316 119.950 0.007 0.000 2.091 87 F HA -0.268 4.259 4.527 -0.000 0.000 0.299 87 F C 1.846 177.555 175.800 -0.151 0.000 1.103 87 F CA 2.048 60.024 58.000 -0.040 0.000 1.228 87 F CB -0.746 38.288 39.000 0.057 0.000 0.984 87 F HN 0.098 nan 8.300 nan 0.000 0.477 88 L N -0.386 120.653 121.223 -0.306 0.000 2.109 88 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 88 L C 2.206 178.864 176.870 -0.353 0.000 1.086 88 L CA 1.527 56.117 54.840 -0.417 0.000 0.760 88 L CB -0.529 41.377 42.059 -0.255 0.000 0.910 88 L HN 0.154 nan 8.230 nan 0.000 0.437 89 E N -0.697 119.324 120.200 -0.298 0.000 2.364 89 E HA -0.034 4.316 4.350 -0.000 0.000 0.196 89 E C 0.931 177.367 176.600 -0.273 0.000 0.990 89 E CA 0.290 56.551 56.400 -0.232 0.000 0.886 89 E CB 0.491 30.102 29.700 -0.149 0.000 0.866 89 E HN 0.439 nan 8.360 nan 0.000 0.493 90 E N 0.202 120.154 120.200 -0.414 0.000 2.676 90 E HA 0.046 4.396 4.350 -0.000 0.000 0.222 90 E C -0.127 176.137 176.600 -0.559 0.000 0.968 90 E CA 0.038 56.160 56.400 -0.463 0.000 1.090 90 E CB 1.356 30.755 29.700 -0.502 0.000 1.066 90 E HN 0.052 nan 8.360 nan 0.000 0.496 91 T N -2.522 111.685 114.554 -0.579 0.000 2.865 91 T HA 0.321 4.671 4.350 -0.000 0.000 0.294 91 T C 0.129 174.434 174.700 -0.659 0.000 1.119 91 T CA -0.708 61.008 62.100 -0.639 0.000 1.007 91 T CB 2.071 70.612 68.868 -0.545 0.000 1.225 91 T HN -0.232 nan 8.240 nan 0.000 0.515 92 Q N -0.249 119.040 119.800 -0.851 0.000 2.194 92 Q HA 0.368 4.708 4.340 -0.000 0.000 0.214 92 Q C -0.914 174.839 176.000 -0.411 0.000 0.838 92 Q CA -0.494 54.954 55.803 -0.593 0.000 0.972 92 Q CB 0.052 28.480 28.738 -0.517 0.000 1.131 92 Q HN 0.728 nan 8.270 nan 0.000 0.498 93 W N 0.345 121.602 121.300 -0.072 0.000 2.137 93 W HA 0.121 4.781 4.660 -0.000 0.000 0.344 93 W C 1.417 178.016 176.519 0.135 0.000 1.286 93 W CA -0.681 56.730 57.345 0.109 0.000 1.240 93 W CB 0.728 30.367 29.460 0.297 0.000 1.141 93 W HN 0.020 nan 8.180 nan 0.000 0.579 94 E N 0.995 121.481 120.200 0.477 0.000 2.299 94 E HA 0.056 4.405 4.350 -0.000 0.000 0.193 94 E C 0.188 177.016 176.600 0.380 0.000 0.998 94 E CA 0.743 57.338 56.400 0.324 0.000 0.851 94 E CB 0.211 30.050 29.700 0.233 0.000 0.795 94 E HN 0.435 nan 8.360 nan 0.000 0.492 95 R N -0.422 120.334 120.500 0.426 0.000 2.668 95 R HA 0.554 4.894 4.340 -0.000 0.000 0.272 95 R C -0.828 175.447 176.300 -0.042 0.000 1.019 95 R CA -0.524 55.688 56.100 0.188 0.000 0.894 95 R CB 2.405 32.751 30.300 0.077 0.000 1.228 95 R HN -0.067 nan 8.270 nan 0.000 0.460 96 I N 1.838 122.152 120.570 -0.427 0.000 2.498 96 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 96 I C -0.739 175.096 176.117 -0.470 0.000 1.032 96 I CA -0.633 60.272 61.300 -0.659 0.000 1.073 96 I CB 1.332 38.491 38.000 -1.401 0.000 1.251 96 I HN 0.635 nan 8.210 nan 0.000 0.426 97 H N 6.717 125.507 119.070 -0.467 0.000 2.479 97 H HA 0.407 4.963 4.556 -0.000 0.000 0.335 97 H C -1.447 173.465 175.328 -0.693 0.000 1.142 97 H CA -0.373 55.414 56.048 -0.436 0.000 1.234 97 H CB 1.825 31.427 29.762 -0.268 0.000 1.503 97 H HN 0.378 nan 8.280 nan 0.000 0.510 98 F N 1.586 121.316 119.950 -0.366 0.000 2.520 98 F HA 0.321 4.848 4.527 -0.000 0.000 0.322 98 F C -0.806 174.661 175.800 -0.555 0.000 1.103 98 F CA -0.647 57.158 58.000 -0.326 0.000 0.926 98 F CB 1.300 40.233 39.000 -0.111 0.000 1.154 98 F HN 0.400 nan 8.300 nan 0.000 0.453 99 Y N 0.762 121.111 120.300 0.082 0.000 2.457 99 Y HA 0.308 4.858 4.550 -0.000 0.000 0.343 99 Y C -0.416 175.615 175.900 0.219 0.000 0.994 99 Y CA -1.577 56.601 58.100 0.130 0.000 1.031 99 Y CB 1.209 39.619 38.460 -0.084 0.000 1.246 99 Y HN 0.451 nan 8.280 nan 0.000 0.449 100 D N 1.254 121.894 120.400 0.399 0.000 2.506 100 D HA 0.141 4.781 4.640 -0.000 0.000 0.234 100 D C 0.844 177.332 176.300 0.314 0.000 1.143 100 D CA 0.510 54.710 54.000 0.333 0.000 0.871 100 D CB 1.364 42.333 40.800 0.281 0.000 1.190 100 D HN 0.771 nan 8.370 nan 0.000 0.459 101 A N 2.733 125.724 122.820 0.284 0.000 2.066 101 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 101 A C 1.515 179.120 177.584 0.034 0.000 1.157 101 A CA 1.000 53.114 52.037 0.129 0.000 0.670 101 A CB -0.106 18.987 19.000 0.156 0.000 0.804 101 A HN 0.626 nan 8.150 nan 0.000 0.453 102 D N -0.005 120.471 120.400 0.126 0.000 2.355 102 D HA 0.003 4.643 4.640 -0.000 0.000 0.218 102 D C 0.560 176.928 176.300 0.113 0.000 1.004 102 D CA -0.120 53.956 54.000 0.127 0.000 0.880 102 D CB -0.546 40.365 40.800 0.184 0.000 0.911 102 D HN 0.462 nan 8.370 nan 0.000 0.528 103 I N 1.907 122.524 120.570 0.079 0.000 2.668 103 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 103 I C 1.430 177.551 176.117 0.007 0.000 1.168 103 I CA 0.523 61.852 61.300 0.049 0.000 1.424 103 I CB 0.888 38.867 38.000 -0.035 0.000 1.377 103 I HN 0.009 nan 8.210 nan 0.000 0.560 104 T N -1.004 113.575 114.554 0.041 0.000 3.023 104 T HA 0.030 4.380 4.350 -0.000 0.000 0.253 104 T C 0.970 175.685 174.700 0.025 0.000 1.038 104 T CA 0.224 62.333 62.100 0.015 0.000 0.962 104 T CB 0.054 68.917 68.868 -0.009 0.000 1.018 104 T HN 0.639 nan 8.240 nan 0.000 0.521 105 S N 0.465 116.197 115.700 0.054 0.000 2.574 105 S HA 0.400 4.870 4.470 -0.000 0.000 0.242 105 S C -0.187 174.406 174.600 -0.011 0.000 0.982 105 S CA -0.921 57.338 58.200 0.098 0.000 0.977 105 S CB -0.871 62.459 63.200 0.216 0.000 0.814 105 S HN 0.380 nan 8.310 nan 0.000 0.464 106 F N 2.606 122.291 119.950 -0.442 0.000 2.443 106 F HA 0.622 5.149 4.527 -0.000 0.000 0.353 106 F C 0.639 176.087 175.800 -0.587 0.000 1.101 106 F CA 0.081 57.483 58.000 -0.996 0.000 1.226 106 F CB 0.515 39.032 39.000 -0.804 0.000 1.140 106 F HN 0.309 nan 8.300 nan 0.000 0.557 107 G N 5.410 113.401 108.800 -1.349 0.000 2.690 107 G HA2 0.409 4.369 3.960 -0.000 0.000 0.291 107 G HA3 0.409 4.369 3.960 -0.000 0.000 0.291 107 G C -2.597 171.876 174.900 -0.712 0.000 1.403 107 G CA -1.193 43.508 45.100 -0.664 0.000 0.864 107 G HN 0.328 nan 8.290 nan 0.000 0.480 108 P HA -0.088 nan 4.420 nan 0.000 0.219 108 P C 0.828 178.138 177.300 0.016 0.000 1.146 108 P CA 0.861 63.889 63.100 -0.120 0.000 0.808 108 P CB 0.408 32.080 31.700 -0.046 0.000 0.779 109 D N -0.922 119.503 120.400 0.042 0.000 2.149 109 D HA -0.164 4.476 4.640 -0.000 0.000 0.198 109 D C 1.786 178.223 176.300 0.228 0.000 0.990 109 D CA 1.023 55.112 54.000 0.149 0.000 0.839 109 D CB -0.404 40.479 40.800 0.139 0.000 0.948 109 D HN 0.175 nan 8.370 nan 0.000 0.460 110 W N 1.214 122.406 121.300 -0.181 0.000 2.335 110 W HA -0.066 4.594 4.660 -0.000 0.000 0.311 110 W C 2.473 179.060 176.519 0.112 0.000 1.213 110 W CA 0.227 57.511 57.345 -0.100 0.000 1.274 110 W CB -1.101 28.134 29.460 -0.375 0.000 1.148 110 W HN 0.005 nan 8.180 nan 0.000 0.498 111 I N -0.578 120.104 120.570 0.187 0.000 2.202 111 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 111 I C 2.293 178.507 176.117 0.162 0.000 1.091 111 I CA 1.677 63.047 61.300 0.116 0.000 1.368 111 I CB -1.090 36.641 38.000 -0.448 0.000 1.058 111 I HN -0.104 nan 8.210 nan 0.000 0.410 112 T N 0.970 115.648 114.554 0.208 0.000 2.652 112 T HA -0.204 4.146 4.350 -0.000 0.000 0.267 112 T C 1.896 176.711 174.700 0.192 0.000 1.039 112 T CA 1.426 63.674 62.100 0.246 0.000 1.153 112 T CB -0.210 68.807 68.868 0.248 0.000 0.863 112 T HN 0.304 nan 8.240 nan 0.000 0.428 113 K N 1.118 121.637 120.400 0.198 0.000 2.063 113 K HA -0.034 4.285 4.320 -0.000 0.000 0.208 113 K C 2.688 179.377 176.600 0.149 0.000 1.048 113 K CA 1.307 57.689 56.287 0.160 0.000 0.928 113 K CB -0.337 32.257 32.500 0.155 0.000 0.713 113 K HN 0.307 nan 8.250 nan 0.000 0.442 114 A N 1.820 124.784 122.820 0.240 0.000 1.873 114 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 114 A C 2.011 179.654 177.584 0.098 0.000 1.186 114 A CA 1.341 53.462 52.037 0.139 0.000 0.616 114 A CB -0.279 18.866 19.000 0.241 0.000 0.823 114 A HN 0.180 nan 8.150 nan 0.000 0.442 115 E N 0.100 120.400 120.200 0.166 0.000 2.085 115 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 115 E C 1.918 178.578 176.600 0.100 0.000 0.994 115 E CA 1.510 57.988 56.400 0.130 0.000 0.801 115 E CB -0.325 29.465 29.700 0.149 0.000 0.743 115 E HN 0.779 nan 8.360 nan 0.000 0.453 116 E N 0.559 120.814 120.200 0.092 0.000 2.072 116 E HA -0.105 4.245 4.350 -0.000 0.000 0.191 116 E C 2.056 178.682 176.600 0.043 0.000 0.985 116 E CA 0.875 57.318 56.400 0.071 0.000 0.801 116 E CB -0.084 29.648 29.700 0.053 0.000 0.750 116 E HN 0.191 nan 8.360 nan 0.000 0.452 117 A N 1.480 124.274 122.820 -0.043 0.000 1.933 117 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 117 A C 2.381 180.047 177.584 0.136 0.000 1.175 117 A CA 1.658 53.615 52.037 -0.133 0.000 0.628 117 A CB -0.613 18.174 19.000 -0.355 0.000 0.814 117 A HN 0.294 nan 8.150 nan 0.000 0.444 118 A N 0.095 122.977 122.820 0.105 0.000 1.933 118 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 118 A C 1.713 179.379 177.584 0.137 0.000 1.175 118 A CA 1.847 53.962 52.037 0.129 0.000 0.628 118 A CB -0.586 18.454 19.000 0.066 0.000 0.814 118 A HN 0.451 nan 8.150 nan 0.000 0.444 119 D N -1.134 119.346 120.400 0.133 0.000 2.182 119 D HA -0.133 4.507 4.640 -0.000 0.000 0.201 119 D C 1.420 177.797 176.300 0.127 0.000 0.986 119 D CA 0.942 55.013 54.000 0.118 0.000 0.847 119 D CB -0.385 40.488 40.800 0.122 0.000 0.942 119 D HN 0.471 nan 8.370 nan 0.000 0.467 120 F N -0.160 119.790 119.950 -0.000 0.000 2.365 120 F HA 0.086 4.613 4.527 -0.000 0.000 0.300 120 F C 1.891 177.611 175.800 -0.133 0.000 1.090 120 F CA 1.416 59.391 58.000 -0.042 0.000 1.408 120 F CB 0.420 39.422 39.000 0.003 0.000 1.060 120 F HN 0.115 nan 8.300 nan 0.000 0.534 121 G N -2.261 106.542 108.800 0.003 0.000 2.624 121 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.190 121 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.190 121 G C 0.037 174.882 174.900 -0.091 0.000 1.008 121 G CA -0.356 44.667 45.100 -0.127 0.000 0.731 121 G HN 0.183 nan 8.290 nan 0.000 0.478 122 Y N 0.971 121.318 120.300 0.078 0.000 2.652 122 Y HA 0.324 4.874 4.550 -0.000 0.000 0.344 122 Y C 1.913 177.837 175.900 0.040 0.000 1.254 122 Y CA 1.355 59.497 58.100 0.071 0.000 1.480 122 Y CB 0.932 39.448 38.460 0.093 0.000 1.345 122 Y HN 0.102 nan 8.280 nan 0.000 0.617 123 G N 1.773 110.695 108.800 0.203 0.000 2.545 123 G HA2 0.086 4.046 3.960 -0.000 0.000 0.212 123 G HA3 0.086 4.046 3.960 -0.000 0.000 0.212 123 G C -0.157 174.791 174.900 0.080 0.000 1.144 123 G CA 0.040 45.204 45.100 0.106 0.000 0.813 123 G HN 0.454 nan 8.290 nan 0.000 0.531 124 L N 1.397 122.678 121.223 0.098 0.000 2.410 124 L HA 0.616 4.956 4.340 -0.000 0.000 0.270 124 L C -1.547 175.341 176.870 0.030 0.000 0.983 124 L CA -0.613 54.247 54.840 0.033 0.000 0.822 124 L CB 2.488 44.552 42.059 0.009 0.000 1.285 124 L HN -0.163 nan 8.230 nan 0.000 0.409 125 V N 5.176 125.071 119.914 -0.032 0.000 2.444 125 V HA 0.521 4.641 4.120 -0.000 0.000 0.294 125 V C -0.247 175.761 176.094 -0.145 0.000 1.022 125 V CA -0.657 61.598 62.300 -0.076 0.000 0.850 125 V CB 1.921 33.686 31.823 -0.096 0.000 0.992 125 V HN 0.717 nan 8.190 nan 0.000 0.426 126 R N 3.752 124.173 120.500 -0.132 0.000 2.393 126 R HA 0.550 4.889 4.340 -0.000 0.000 0.310 126 R C -0.664 175.537 176.300 -0.165 0.000 0.968 126 R CA -0.783 55.260 56.100 -0.096 0.000 0.867 126 R CB 1.386 31.671 30.300 -0.024 0.000 1.124 126 R HN 0.701 nan 8.270 nan 0.000 0.450 127 H N 2.823 121.891 119.070 -0.003 0.000 2.525 127 H HA 0.150 4.706 4.556 -0.000 0.000 0.339 127 H C -0.528 174.587 175.328 -0.355 0.000 1.109 127 H CA 0.044 55.965 56.048 -0.212 0.000 1.352 127 H CB 1.167 30.793 29.762 -0.227 0.000 1.461 127 H HN 0.604 nan 8.280 nan 0.000 0.533 128 Y N 0.769 120.664 120.300 -0.674 0.000 2.562 128 Y HA 0.594 5.144 4.550 -0.000 0.000 0.345 128 Y C -2.068 173.275 175.900 -0.927 0.000 1.045 128 Y CA -1.576 56.132 58.100 -0.654 0.000 1.028 128 Y CB 1.020 39.388 38.460 -0.153 0.000 1.297 128 Y HN 0.287 nan 8.280 nan 0.000 0.463 129 F N 1.758 121.632 119.950 -0.127 0.000 2.620 129 F HA 0.744 5.271 4.527 -0.000 0.000 0.320 129 F C -2.440 173.344 175.800 -0.026 0.000 1.069 129 F CA -2.612 55.202 58.000 -0.310 0.000 0.953 129 F CB 1.797 40.703 39.000 -0.157 0.000 1.322 129 F HN 0.316 nan 8.300 nan 0.000 0.479 130 P HA 0.238 nan 4.420 nan 0.000 0.271 130 P C -0.971 176.496 177.300 0.279 0.000 1.218 130 P CA -0.202 63.069 63.100 0.285 0.000 0.780 130 P CB 0.968 32.773 31.700 0.176 0.000 0.901 131 R N 0.774 121.481 120.500 0.346 0.000 2.725 131 R HA 0.615 4.955 4.340 -0.000 0.000 0.277 131 R C -0.484 176.035 176.300 0.365 0.000 0.987 131 R CA -1.041 55.248 56.100 0.315 0.000 0.901 131 R CB 2.496 32.999 30.300 0.338 0.000 1.207 131 R HN 0.546 nan 8.270 nan 0.000 0.463 132 A N 0.852 123.841 122.820 0.282 0.000 2.445 132 A HA 0.096 4.416 4.320 -0.000 0.000 0.242 132 A C 1.348 179.121 177.584 0.314 0.000 1.075 132 A CA 0.361 52.571 52.037 0.288 0.000 0.777 132 A CB 0.328 19.447 19.000 0.197 0.000 1.013 132 A HN 0.878 nan 8.150 nan 0.000 0.493 133 S N 0.634 116.530 115.700 0.326 0.000 2.442 133 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 133 S C 1.109 175.850 174.600 0.236 0.000 1.007 133 S CA 1.600 59.923 58.200 0.205 0.000 0.965 133 S CB -0.696 62.576 63.200 0.121 0.000 0.773 133 S HN 1.262 nan 8.310 nan 0.000 0.504 134 T N -1.346 113.342 114.554 0.223 0.000 3.243 134 T HA 0.361 4.711 4.350 -0.000 0.000 0.264 134 T C -0.314 174.544 174.700 0.263 0.000 1.000 134 T CA -0.697 61.568 62.100 0.275 0.000 0.901 134 T CB -0.030 68.990 68.868 0.252 0.000 1.083 134 T HN 0.104 nan 8.240 nan 0.000 0.559 135 D N 1.229 121.774 120.400 0.242 0.000 2.437 135 D HA 0.610 5.250 4.640 -0.000 0.000 0.259 135 D C 0.833 177.283 176.300 0.250 0.000 1.118 135 D CA 0.056 54.199 54.000 0.238 0.000 1.017 135 D CB 1.377 42.318 40.800 0.236 0.000 1.120 135 D HN 0.265 nan 8.370 nan 0.000 0.541 136 A N 0.696 123.659 122.820 0.237 0.000 2.822 136 A HA -0.212 4.108 4.320 -0.000 0.000 0.287 136 A C 1.372 179.134 177.584 0.297 0.000 1.479 136 A CA 0.732 52.917 52.037 0.246 0.000 0.779 136 A CB -1.586 17.590 19.000 0.293 0.000 1.022 136 A HN 0.422 nan 8.150 nan 0.000 0.532 137 M N -1.153 118.605 119.600 0.264 0.000 2.419 137 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 137 M C 2.004 178.579 176.300 0.457 0.000 1.082 137 M CA 1.450 56.908 55.300 0.264 0.000 1.119 137 M CB -0.789 31.861 32.600 0.082 0.000 1.398 137 M HN 0.722 nan 8.290 nan 0.000 0.453 138 I N -0.617 120.167 120.570 0.357 0.000 2.233 138 I HA -0.233 3.937 4.170 -0.000 0.000 0.243 138 I C 2.236 178.407 176.117 0.090 0.000 1.093 138 I CA 1.138 62.521 61.300 0.139 0.000 1.380 138 I CB -0.773 37.170 38.000 -0.095 0.000 1.067 138 I HN 0.210 nan 8.210 nan 0.000 0.413 139 T N 0.057 114.634 114.554 0.038 0.000 2.665 139 T HA -0.241 4.109 4.350 -0.000 0.000 0.268 139 T C 1.454 176.058 174.700 -0.159 0.000 1.035 139 T CA 2.021 64.057 62.100 -0.106 0.000 1.151 139 T CB -0.351 68.416 68.868 -0.168 0.000 0.862 139 T HN 0.392 nan 8.240 nan 0.000 0.438 140 W N 0.408 121.706 121.300 -0.003 0.000 2.488 140 W HA 0.130 4.790 4.660 -0.000 0.000 0.304 140 W C 2.408 178.940 176.519 0.022 0.000 1.175 140 W CA 0.176 57.487 57.345 -0.056 0.000 1.365 140 W CB -0.165 29.189 29.460 -0.177 0.000 1.131 140 W HN 0.090 nan 8.180 nan 0.000 0.520 141 M N -0.733 119.060 119.600 0.322 0.000 2.419 141 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 141 M C 1.546 178.219 176.300 0.622 0.000 1.082 141 M CA 1.365 56.878 55.300 0.356 0.000 1.119 141 M CB -0.996 31.642 32.600 0.062 0.000 1.398 141 M HN 0.151 nan 8.290 nan 0.000 0.453 142 I N -1.292 119.532 120.570 0.424 0.000 3.345 142 I HA -0.061 4.109 4.170 -0.000 0.000 0.258 142 I C 2.025 178.247 176.117 0.175 0.000 1.134 142 I CA 0.582 62.136 61.300 0.422 0.000 1.457 142 I CB -0.077 38.071 38.000 0.247 0.000 1.425 142 I HN 0.103 nan 8.210 nan 0.000 0.461 143 T N 0.930 115.459 114.554 -0.043 0.000 2.698 143 T HA -0.060 4.290 4.350 -0.000 0.000 0.260 143 T C 1.978 176.406 174.700 -0.454 0.000 1.044 143 T CA 1.139 63.036 62.100 -0.338 0.000 1.149 143 T CB -0.229 68.442 68.868 -0.329 0.000 0.864 143 T HN 0.160 nan 8.240 nan 0.000 0.419 144 R N 0.679 121.035 120.500 -0.240 0.000 2.081 144 R HA -0.051 4.289 4.340 -0.000 0.000 0.235 144 R C 2.777 179.073 176.300 -0.006 0.000 1.131 144 R CA 1.549 57.576 56.100 -0.122 0.000 0.960 144 R CB -0.857 29.282 30.300 -0.267 0.000 0.856 144 R HN 0.314 nan 8.270 nan 0.000 0.436 145 T N 0.224 114.797 114.554 0.031 0.000 2.635 145 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 145 T C 1.916 176.430 174.700 -0.311 0.000 1.040 145 T CA 1.703 63.801 62.100 -0.003 0.000 1.156 145 T CB -0.653 68.277 68.868 0.103 0.000 0.863 145 T HN 0.560 nan 8.240 nan 0.000 0.430 146 G N 0.831 109.407 108.800 -0.373 0.000 2.446 146 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 146 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 146 G C 1.279 176.194 174.900 0.024 0.000 1.168 146 G CA 0.580 45.487 45.100 -0.323 0.000 0.771 146 G HN 0.386 nan 8.290 nan 0.000 0.551 147 F N 1.845 121.871 119.950 0.128 0.000 2.134 147 F HA 0.039 4.566 4.527 -0.000 0.000 0.299 147 F C 3.018 178.935 175.800 0.195 0.000 1.097 147 F CA 0.310 58.500 58.000 0.316 0.000 1.264 147 F CB -0.980 38.149 39.000 0.214 0.000 1.001 147 F HN 0.274 nan 8.300 nan 0.000 0.479 148 A N -0.216 122.749 122.820 0.242 0.000 1.930 148 A HA -0.087 4.232 4.320 -0.000 0.000 0.217 148 A C 2.315 179.924 177.584 0.041 0.000 1.175 148 A CA 1.171 53.285 52.037 0.128 0.000 0.627 148 A CB -0.957 18.111 19.000 0.113 0.000 0.815 148 A HN 0.372 nan 8.150 nan 0.000 0.443 149 L N -1.146 120.019 121.223 -0.098 0.000 2.240 149 L HA 0.010 4.350 4.340 -0.000 0.000 0.211 149 L C 2.108 178.864 176.870 -0.190 0.000 1.106 149 L CA 0.640 55.362 54.840 -0.197 0.000 0.793 149 L CB -0.148 41.631 42.059 -0.467 0.000 0.927 149 L HN 0.351 nan 8.230 nan 0.000 0.446 150 L N -2.488 118.565 121.223 -0.282 0.000 2.470 150 L HA 0.064 4.404 4.340 -0.000 0.000 0.219 150 L C 0.382 176.768 176.870 -0.807 0.000 1.071 150 L CA 0.043 54.468 54.840 -0.691 0.000 0.850 150 L CB 0.299 41.590 42.059 -1.281 0.000 1.040 150 L HN 0.277 nan 8.230 nan 0.000 0.475 151 W N 0.892 122.267 121.300 0.125 0.000 1.590 151 W HA 0.301 4.961 4.660 -0.000 0.000 0.299 151 W C -2.017 174.557 176.519 0.091 0.000 0.872 151 W CA -1.223 56.191 57.345 0.116 0.000 1.961 151 W CB 0.124 29.646 29.460 0.104 0.000 2.140 151 W HN -0.064 nan 8.180 nan 0.000 0.433 152 P HA -0.182 nan 4.420 nan 0.000 0.220 152 P C 0.961 178.277 177.300 0.026 0.000 1.148 152 P CA 1.613 64.741 63.100 0.046 0.000 0.803 152 P CB 0.253 31.886 31.700 -0.111 0.000 0.782 153 H N -0.493 118.700 119.070 0.205 0.000 2.539 153 H HA 0.134 4.690 4.556 -0.000 0.000 0.269 153 H C 1.087 176.516 175.328 0.169 0.000 0.980 153 H CA 0.703 56.859 56.048 0.179 0.000 1.152 153 H CB 0.032 29.870 29.762 0.127 0.000 1.407 153 H HN 0.256 nan 8.280 nan 0.000 0.564 154 T N -2.341 112.378 114.554 0.275 0.000 2.937 154 T HA 0.178 4.527 4.350 -0.000 0.000 0.283 154 T C 1.187 175.999 174.700 0.187 0.000 1.012 154 T CA -0.743 61.453 62.100 0.160 0.000 0.997 154 T CB 2.416 71.319 68.868 0.058 0.000 1.136 154 T HN -0.123 nan 8.240 nan 0.000 0.551 155 E N -0.236 119.995 120.200 0.053 0.000 2.347 155 E HA 0.083 4.433 4.350 -0.000 0.000 0.196 155 E C 1.806 178.439 176.600 0.055 0.000 1.008 155 E CA 0.607 57.052 56.400 0.074 0.000 0.852 155 E CB -0.820 28.819 29.700 -0.101 0.000 0.783 155 E HN 0.665 nan 8.360 nan 0.000 0.505 156 L N 0.201 121.349 121.223 -0.125 0.000 1.978 156 L HA -0.297 4.043 4.340 -0.000 0.000 0.218 156 L C 2.379 179.209 176.870 -0.065 0.000 1.075 156 L CA 1.917 56.528 54.840 -0.382 0.000 0.767 156 L CB -0.817 40.749 42.059 -0.822 0.000 0.890 156 L HN 0.226 nan 8.230 nan 0.000 0.434 157 S N -1.960 113.814 115.700 0.123 0.000 2.507 157 S HA -0.164 4.306 4.470 -0.000 0.000 0.235 157 S C 1.396 175.974 174.600 -0.037 0.000 0.988 157 S CA 0.417 58.689 58.200 0.119 0.000 0.944 157 S CB -0.690 62.532 63.200 0.037 0.000 0.762 157 S HN 0.485 nan 8.310 nan 0.000 0.526 158 W N 1.470 122.812 121.300 0.070 0.000 2.863 158 W HA 0.455 5.115 4.660 -0.000 0.000 0.258 158 W C 0.508 177.090 176.519 0.105 0.000 1.298 158 W CA -0.887 56.528 57.345 0.116 0.000 1.451 158 W CB -0.178 29.380 29.460 0.164 0.000 1.107 158 W HN 0.159 nan 8.180 nan 0.000 0.641 159 I N 2.143 122.807 120.570 0.156 0.000 2.598 159 I HA -0.111 4.059 4.170 -0.000 0.000 0.284 159 I C 1.628 177.739 176.117 -0.010 0.000 1.140 159 I CA 0.092 61.408 61.300 0.026 0.000 1.420 159 I CB 0.994 38.944 38.000 -0.085 0.000 1.387 159 I HN -0.032 nan 8.210 nan 0.000 0.553 160 E N 4.475 124.627 120.200 -0.079 0.000 2.028 160 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 160 E C 0.288 176.813 176.600 -0.125 0.000 0.988 160 E CA 1.506 57.818 56.400 -0.147 0.000 0.799 160 E CB 0.051 29.494 29.700 -0.429 0.000 0.755 160 E HN 0.616 nan 8.360 nan 0.000 0.447 161 Q N 0.107 119.879 119.800 -0.047 0.000 3.064 161 Q HA 0.153 4.493 4.340 -0.000 0.000 0.258 161 Q C -2.042 173.983 176.000 0.042 0.000 0.972 161 Q CA -1.249 54.561 55.803 0.012 0.000 0.761 161 Q CB 1.733 30.557 28.738 0.143 0.000 1.281 161 Q HN 0.019 nan 8.270 nan 0.000 0.455 162 P HA -0.133 nan 4.420 nan 0.000 0.228 162 P C 0.614 177.972 177.300 0.097 0.000 1.151 162 P CA 0.921 64.083 63.100 0.103 0.000 0.770 162 P CB 0.408 32.234 31.700 0.211 0.000 0.786 163 L N -1.364 119.895 121.223 0.060 0.000 2.592 163 L HA 0.229 4.569 4.340 -0.000 0.000 0.227 163 L C 1.425 178.368 176.870 0.121 0.000 1.127 163 L CA -0.246 54.637 54.840 0.071 0.000 0.884 163 L CB -0.724 41.351 42.059 0.026 0.000 1.065 163 L HN -0.069 nan 8.230 nan 0.000 0.457 164 G N -0.042 108.848 108.800 0.149 0.000 2.305 164 G HA2 0.219 4.179 3.960 -0.000 0.000 0.243 164 G HA3 0.219 4.179 3.960 -0.000 0.000 0.243 164 G C 0.918 175.951 174.900 0.222 0.000 1.288 164 G CA 0.161 45.393 45.100 0.221 0.000 0.901 164 G HN 0.308 nan 8.290 nan 0.000 0.516 165 G N 1.228 110.182 108.800 0.256 0.000 3.141 165 G HA2 0.269 4.228 3.960 -0.000 0.000 0.218 165 G HA3 0.269 4.228 3.960 -0.000 0.000 0.218 165 G C 0.244 175.307 174.900 0.272 0.000 1.170 165 G CA -0.170 45.068 45.100 0.229 0.000 0.769 165 G HN 0.538 nan 8.290 nan 0.000 0.546 166 E N 0.431 120.845 120.200 0.357 0.000 2.102 166 E HA 0.567 4.917 4.350 -0.000 0.000 0.263 166 E C -0.541 176.296 176.600 0.396 0.000 0.894 166 E CA -0.453 56.195 56.400 0.413 0.000 0.746 166 E CB 1.559 31.701 29.700 0.737 0.000 1.129 166 E HN 0.275 nan 8.360 nan 0.000 0.416 167 L N 0.208 121.544 121.223 0.188 0.000 2.671 167 L HA 0.647 4.987 4.340 -0.000 0.000 0.259 167 L C -1.566 175.272 176.870 -0.053 0.000 1.021 167 L CA -1.097 53.795 54.840 0.086 0.000 0.871 167 L CB 1.030 43.132 42.059 0.072 0.000 1.472 167 L HN 0.412 nan 8.230 nan 0.000 0.410 168 L N 1.964 123.101 121.223 -0.142 0.000 2.385 168 L HA 0.865 5.204 4.340 -0.000 0.000 0.273 168 L C -1.073 175.699 176.870 -0.164 0.000 0.990 168 L CA -0.563 54.106 54.840 -0.285 0.000 0.821 168 L CB 1.772 43.568 42.059 -0.438 0.000 1.279 168 L HN 0.938 nan 8.230 nan 0.000 0.412 169 M N 3.770 123.273 119.600 -0.161 0.000 2.591 169 M HA 0.624 5.104 4.480 -0.000 0.000 0.306 169 M C -0.945 175.323 176.300 -0.055 0.000 1.190 169 M CA -0.892 54.358 55.300 -0.084 0.000 0.889 169 M CB 2.120 34.679 32.600 -0.069 0.000 1.728 169 M HN 0.504 nan 8.290 nan 0.000 0.458 170 R N 0.728 121.245 120.500 0.028 0.000 2.549 170 R HA 0.493 4.832 4.340 -0.000 0.000 0.267 170 R C 0.627 177.042 176.300 0.191 0.000 1.045 170 R CA -0.842 55.322 56.100 0.107 0.000 1.115 170 R CB 1.238 31.593 30.300 0.092 0.000 1.121 170 R HN 0.967 nan 8.270 nan 0.000 0.543 171 R N 0.886 121.554 120.500 0.279 0.000 2.133 171 R HA -0.237 4.103 4.340 -0.000 0.000 0.245 171 R C 1.941 178.344 176.300 0.171 0.000 1.137 171 R CA 2.532 58.806 56.100 0.291 0.000 0.947 171 R CB -0.265 30.099 30.300 0.107 0.000 0.865 171 R HN 0.879 nan 8.270 nan 0.000 0.437 172 E N 0.221 120.482 120.200 0.101 0.000 2.153 172 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 172 E C 2.012 178.655 176.600 0.071 0.000 0.988 172 E CA 1.485 57.925 56.400 0.068 0.000 0.811 172 E CB -0.507 29.218 29.700 0.041 0.000 0.746 172 E HN 0.353 nan 8.360 nan 0.000 0.466 173 V N 2.203 122.160 119.914 0.072 0.000 2.307 173 V HA -0.218 3.902 4.120 -0.000 0.000 0.245 173 V C 2.767 178.896 176.094 0.059 0.000 1.045 173 V CA 1.951 64.279 62.300 0.047 0.000 1.024 173 V CB -0.953 30.884 31.823 0.024 0.000 0.651 173 V HN 0.437 nan 8.190 nan 0.000 0.449 174 A N 0.128 123.014 122.820 0.110 0.000 1.877 174 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 174 A C 2.447 180.145 177.584 0.189 0.000 1.186 174 A CA 2.231 54.361 52.037 0.155 0.000 0.620 174 A CB -0.899 18.292 19.000 0.318 0.000 0.822 174 A HN 0.579 nan 8.150 nan 0.000 0.443 175 A N -0.833 122.088 122.820 0.169 0.000 1.908 175 A HA -0.190 4.129 4.320 -0.000 0.000 0.218 175 A C 2.236 179.910 177.584 0.151 0.000 1.181 175 A CA 2.136 54.265 52.037 0.152 0.000 0.627 175 A CB -0.537 18.515 19.000 0.086 0.000 0.818 175 A HN 0.548 nan 8.150 nan 0.000 0.445 176 M N -0.300 119.363 119.600 0.104 0.000 2.117 176 M HA -0.077 4.403 4.480 -0.000 0.000 0.262 176 M C 1.979 178.331 176.300 0.087 0.000 1.065 176 M CA 1.702 57.048 55.300 0.076 0.000 1.114 176 M CB -0.795 31.834 32.600 0.047 0.000 1.361 176 M HN 0.434 nan 8.290 nan 0.000 0.408 177 L N -1.164 120.119 121.223 0.099 0.000 2.027 177 L HA -0.235 4.104 4.340 -0.000 0.000 0.206 177 L C 2.560 179.532 176.870 0.171 0.000 1.074 177 L CA 1.397 56.309 54.840 0.119 0.000 0.745 177 L CB -1.127 40.966 42.059 0.057 0.000 0.898 177 L HN 0.252 nan 8.230 nan 0.000 0.433 178 Y N 1.034 121.391 120.300 0.096 0.000 2.274 178 Y HA -0.268 4.282 4.550 -0.000 0.000 0.290 178 Y C 2.461 178.410 175.900 0.082 0.000 1.145 178 Y CA 1.510 59.676 58.100 0.111 0.000 1.203 178 Y CB 0.006 38.539 38.460 0.121 0.000 0.984 178 Y HN 0.130 nan 8.280 nan 0.000 0.533 179 E N 0.644 120.888 120.200 0.074 0.000 2.110 179 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 179 E C 0.311 176.879 176.600 -0.053 0.000 0.988 179 E CA 0.978 57.377 56.400 -0.001 0.000 0.804 179 E CB -0.438 29.294 29.700 0.054 0.000 0.745 179 E HN 0.339 nan 8.360 nan 0.000 0.458 180 D N 0.094 120.483 120.400 -0.019 0.000 2.339 180 D HA -0.063 4.577 4.640 -0.000 0.000 0.256 180 D C 1.005 177.284 176.300 -0.035 0.000 1.214 180 D CA 0.049 54.045 54.000 -0.006 0.000 0.877 180 D CB 1.035 41.858 40.800 0.039 0.000 1.111 180 D HN 0.012 nan 8.370 nan 0.000 0.478 181 E N 4.679 124.856 120.200 -0.037 0.000 2.114 181 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 181 E C 1.496 178.077 176.600 -0.031 0.000 1.008 181 E CA 1.714 58.088 56.400 -0.043 0.000 0.810 181 E CB 0.074 29.756 29.700 -0.030 0.000 0.739 181 E HN 0.427 nan 8.360 nan 0.000 0.456 182 R N -0.211 120.282 120.500 -0.011 0.000 2.096 182 R HA -0.077 4.262 4.340 -0.000 0.000 0.235 182 R C 2.597 178.891 176.300 -0.010 0.000 1.127 182 R CA 1.486 57.579 56.100 -0.011 0.000 0.968 182 R CB -0.687 29.613 30.300 -0.001 0.000 0.861 182 R HN 0.367 nan 8.270 nan 0.000 0.440 183 V N -0.464 119.460 119.914 0.016 0.000 2.599 183 V HA -0.005 4.115 4.120 -0.000 0.000 0.245 183 V C 2.146 178.245 176.094 0.008 0.000 1.046 183 V CA 1.165 63.487 62.300 0.037 0.000 1.065 183 V CB -0.134 31.784 31.823 0.158 0.000 0.703 183 V HN 0.071 nan 8.190 nan 0.000 0.464 184 R N 2.110 122.597 120.500 -0.021 0.000 2.091 184 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 184 R C 2.514 178.788 176.300 -0.044 0.000 1.136 184 R CA 2.523 58.587 56.100 -0.060 0.000 0.959 184 R CB -0.736 29.477 30.300 -0.144 0.000 0.856 184 R HN 0.772 nan 8.270 nan 0.000 0.437 185 R N -1.001 119.473 120.500 -0.044 0.000 2.276 185 R HA 0.088 4.428 4.340 -0.000 0.000 0.203 185 R C 0.566 176.840 176.300 -0.042 0.000 1.017 185 R CA 0.452 56.529 56.100 -0.039 0.000 1.010 185 R CB -0.088 30.191 30.300 -0.035 0.000 0.900 185 R HN -0.147 nan 8.270 nan 0.000 0.469 186 R N 1.895 122.363 120.500 -0.053 0.000 4.164 186 R HA 0.065 4.404 4.340 -0.000 0.000 0.195 186 R C 0.517 176.764 176.300 -0.088 0.000 1.712 186 R CA 0.150 56.207 56.100 -0.071 0.000 1.457 186 R CB -0.042 30.203 30.300 -0.091 0.000 1.387 186 R HN 0.470 nan 8.270 nan 0.000 0.785 187 S N -1.114 114.545 115.700 -0.069 0.000 2.515 187 S HA -0.108 4.362 4.470 -0.000 0.000 0.231 187 S C 0.729 175.257 174.600 -0.119 0.000 0.987 187 S CA 0.538 58.691 58.200 -0.078 0.000 0.936 187 S CB -0.303 62.867 63.200 -0.051 0.000 0.766 187 S HN 0.561 nan 8.310 nan 0.000 0.528 188 D N -0.006 120.328 120.400 -0.111 0.000 2.440 188 D HA 0.152 4.791 4.640 -0.000 0.000 0.282 188 D C 0.617 176.809 176.300 -0.181 0.000 1.189 188 D CA -0.913 52.999 54.000 -0.146 0.000 1.105 188 D CB -0.730 40.047 40.800 -0.038 0.000 1.173 188 D HN 0.282 nan 8.370 nan 0.000 0.577 189 W N -0.455 120.809 121.300 -0.061 0.000 2.699 189 W HA 0.234 4.894 4.660 -0.000 0.000 0.249 189 W C 2.239 178.702 176.519 -0.094 0.000 1.280 189 W CA 0.329 57.631 57.345 -0.072 0.000 1.345 189 W CB -0.014 29.410 29.460 -0.059 0.000 1.128 189 W HN 0.545 nan 8.180 nan 0.000 0.642 190 G N 0.369 109.227 108.800 0.097 0.000 2.559 190 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 190 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 190 G C 1.351 176.210 174.900 -0.067 0.000 1.126 190 G CA 0.524 45.630 45.100 0.010 0.000 0.778 190 G HN 0.359 nan 8.290 nan 0.000 0.543 191 I N 0.318 120.807 120.570 -0.136 0.000 2.226 191 I HA -0.144 4.025 4.170 -0.000 0.000 0.245 191 I C 2.076 177.935 176.117 -0.431 0.000 1.100 191 I CA 1.459 62.550 61.300 -0.349 0.000 1.374 191 I CB -0.004 37.709 38.000 -0.478 0.000 1.057 191 I HN 0.120 nan 8.210 nan 0.000 0.413 192 D N -0.067 120.205 120.400 -0.213 0.000 2.144 192 D HA -0.176 4.463 4.640 -0.000 0.000 0.199 192 D C 2.003 178.321 176.300 0.030 0.000 0.984 192 D CA 1.852 55.806 54.000 -0.076 0.000 0.834 192 D CB -0.269 40.559 40.800 0.046 0.000 0.955 192 D HN 0.388 nan 8.370 nan 0.000 0.465 193 T N 1.952 116.525 114.554 0.032 0.000 2.684 193 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 193 T C 2.014 176.813 174.700 0.165 0.000 1.036 193 T CA 0.495 62.662 62.100 0.111 0.000 1.148 193 T CB -0.119 68.769 68.868 0.033 0.000 0.863 193 T HN 0.070 nan 8.240 nan 0.000 0.436 194 L N -0.187 121.066 121.223 0.049 0.000 2.027 194 L HA -0.052 4.288 4.340 -0.000 0.000 0.206 194 L C 2.461 179.459 176.870 0.213 0.000 1.074 194 L CA 1.841 56.733 54.840 0.086 0.000 0.745 194 L CB -1.208 40.841 42.059 -0.018 0.000 0.898 194 L HN 0.298 nan 8.230 nan 0.000 0.433 195 Y N 0.772 121.105 120.300 0.055 0.000 2.081 195 Y HA -0.247 4.303 4.550 -0.000 0.000 0.280 195 Y C 2.906 178.825 175.900 0.032 0.000 1.163 195 Y CA 1.475 59.593 58.100 0.030 0.000 1.135 195 Y CB -1.545 36.909 38.460 -0.010 0.000 0.970 195 Y HN 0.206 nan 8.280 nan 0.000 0.498 196 T N 0.433 115.126 114.554 0.230 0.000 2.684 196 T HA -0.228 4.122 4.350 -0.000 0.000 0.267 196 T C 1.755 176.463 174.700 0.014 0.000 1.036 196 T CA 1.585 63.755 62.100 0.117 0.000 1.148 196 T CB -0.773 68.205 68.868 0.182 0.000 0.863 196 T HN 0.298 nan 8.240 nan 0.000 0.436 197 F N 1.754 121.674 119.950 -0.050 0.000 2.084 197 F HA -0.095 4.432 4.527 -0.000 0.000 0.296 197 F C 2.418 178.100 175.800 -0.197 0.000 1.111 197 F CA 1.359 59.229 58.000 -0.216 0.000 1.224 197 F CB -0.524 38.386 39.000 -0.151 0.000 0.991 197 F HN 0.018 nan 8.300 nan 0.000 0.471 198 V N -0.468 119.519 119.914 0.121 0.000 2.667 198 V HA -0.146 3.974 4.120 -0.000 0.000 0.252 198 V C 2.172 178.211 176.094 -0.091 0.000 1.065 198 V CA 2.284 64.602 62.300 0.031 0.000 1.083 198 V CB -1.310 30.603 31.823 0.150 0.000 0.692 198 V HN 0.584 nan 8.190 nan 0.000 0.468 199 T N -1.054 113.458 114.554 -0.070 0.000 2.746 199 T HA -0.160 4.190 4.350 -0.000 0.000 0.267 199 T C 1.873 176.473 174.700 -0.167 0.000 1.039 199 T CA 1.899 63.945 62.100 -0.090 0.000 1.142 199 T CB -0.951 67.880 68.868 -0.061 0.000 0.866 199 T HN 0.383 nan 8.240 nan 0.000 0.444 200 V N 1.897 121.645 119.914 -0.275 0.000 2.427 200 V HA -0.152 3.968 4.120 -0.000 0.000 0.248 200 V C 2.897 178.760 176.094 -0.386 0.000 1.051 200 V CA 1.955 64.046 62.300 -0.350 0.000 1.048 200 V CB -0.870 30.666 31.823 -0.479 0.000 0.666 200 V HN 0.556 nan 8.190 nan 0.000 0.456 201 Q N -0.593 118.906 119.800 -0.503 0.000 2.224 201 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 201 Q C 2.093 177.963 176.000 -0.218 0.000 0.970 201 Q CA 1.081 56.620 55.803 -0.439 0.000 0.865 201 Q CB 0.064 28.496 28.738 -0.510 0.000 0.922 201 Q HN 0.544 nan 8.270 nan 0.000 0.445 202 Q N -0.893 118.811 119.800 -0.160 0.000 2.451 202 Q HA 0.067 4.407 4.340 -0.000 0.000 0.206 202 Q C 0.895 176.848 176.000 -0.078 0.000 0.947 202 Q CA 0.880 56.630 55.803 -0.089 0.000 0.937 202 Q CB 0.614 29.319 28.738 -0.055 0.000 1.025 202 Q HN 0.575 nan 8.270 nan 0.000 0.511 203 G N 0.828 109.567 108.800 -0.102 0.000 2.198 203 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.260 203 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.260 203 G C 0.241 175.115 174.900 -0.044 0.000 1.025 203 G CA 0.308 45.364 45.100 -0.073 0.000 0.769 203 G HN 0.233 nan 8.290 nan 0.000 0.507 204 V N 1.369 121.256 119.914 -0.045 0.000 2.694 204 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 204 V C 1.399 177.506 176.094 0.022 0.000 1.054 204 V CA 0.555 62.849 62.300 -0.010 0.000 1.161 204 V CB 1.187 33.001 31.823 -0.015 0.000 0.916 204 V HN 1.071 nan 8.190 nan 0.000 0.490 205 S N 6.182 121.925 115.700 0.072 0.000 2.523 205 S HA 0.653 5.123 4.470 -0.000 0.000 0.275 205 S C -0.663 174.103 174.600 0.276 0.000 1.281 205 S CA -0.622 57.677 58.200 0.165 0.000 1.050 205 S CB 0.484 63.769 63.200 0.143 0.000 0.937 205 S HN 0.473 nan 8.310 nan 0.000 0.492 206 I N 3.120 123.863 120.570 0.288 0.000 2.465 206 I HA 0.400 4.570 4.170 -0.000 0.000 0.291 206 I C -1.077 175.112 176.117 0.119 0.000 1.014 206 I CA -0.917 60.496 61.300 0.187 0.000 1.093 206 I CB 1.736 39.770 38.000 0.057 0.000 1.267 206 I HN 0.759 nan 8.210 nan 0.000 0.431 207 Y N 5.085 125.194 120.300 -0.318 0.000 2.393 207 Y HA 0.418 4.968 4.550 -0.000 0.000 0.341 207 Y C -0.592 175.148 175.900 -0.266 0.000 0.988 207 Y CA -0.564 57.197 58.100 -0.565 0.000 1.078 207 Y CB 1.571 39.270 38.460 -1.268 0.000 1.203 207 Y HN 0.494 nan 8.280 nan 0.000 0.453 208 E N 5.414 125.198 120.200 -0.694 0.000 2.092 208 E HA 0.266 4.616 4.350 -0.000 0.000 0.271 208 E C -1.031 175.321 176.600 -0.414 0.000 0.919 208 E CA -0.663 55.498 56.400 -0.397 0.000 0.760 208 E CB 1.035 30.549 29.700 -0.308 0.000 1.106 208 E HN 0.564 nan 8.360 nan 0.000 0.408 209 C N 3.430 122.645 119.300 -0.142 0.000 2.637 209 C HA 0.086 4.546 4.460 -0.000 0.000 0.418 209 C C -0.117 174.839 174.990 -0.056 0.000 1.319 209 C CA -0.155 58.851 59.018 -0.020 0.000 1.949 209 C CB -0.783 26.899 27.740 -0.096 0.000 2.639 209 C HN 0.638 nan 8.230 nan 0.000 0.594 210 Y N 4.520 124.659 120.300 -0.268 0.000 2.328 210 Y HA 0.598 5.148 4.550 -0.000 0.000 0.337 210 Y C -0.054 175.555 175.900 -0.484 0.000 1.008 210 Y CA -0.645 57.088 58.100 -0.611 0.000 1.129 210 Y CB 0.480 38.635 38.460 -0.509 0.000 1.185 210 Y HN 0.575 nan 8.280 nan 0.000 0.476 211 I N 9.906 129.786 120.570 -1.151 0.000 2.337 211 I HA 0.251 4.421 4.170 -0.000 0.000 0.285 211 I C -1.602 173.976 176.117 -0.898 0.000 1.041 211 I CA -1.962 58.809 61.300 -0.882 0.000 1.199 211 I CB 1.599 39.016 38.000 -0.972 0.000 1.370 211 I HN 0.570 nan 8.210 nan 0.000 0.470 212 P HA -0.168 nan 4.420 nan 0.000 0.221 212 P C 0.940 178.112 177.300 -0.214 0.000 1.150 212 P CA 1.183 63.999 63.100 -0.472 0.000 0.800 212 P CB 0.144 31.585 31.700 -0.433 0.000 0.787 213 E N 0.395 120.523 120.200 -0.120 0.000 2.427 213 E HA 0.103 4.453 4.350 -0.000 0.000 0.196 213 E C 0.997 177.655 176.600 0.096 0.000 1.028 213 E CA 0.824 57.248 56.400 0.040 0.000 0.864 213 E CB -0.716 29.053 29.700 0.115 0.000 0.813 213 E HN 0.173 nan 8.360 nan 0.000 0.514 214 G N 1.695 110.526 108.800 0.053 0.000 2.757 214 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.638 214 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.638 214 G C -0.927 174.015 174.900 0.070 0.000 1.344 214 G CA -0.137 45.021 45.100 0.097 0.000 0.855 214 G HN 0.241 nan 8.290 nan 0.000 0.537 215 K N 0.484 120.750 120.400 -0.223 0.000 2.423 215 K HA 0.635 4.955 4.320 -0.000 0.000 0.234 215 K C 0.539 177.111 176.600 -0.047 0.000 1.051 215 K CA 0.076 56.180 56.287 -0.305 0.000 1.021 215 K CB 0.190 31.993 32.500 -1.160 0.000 1.474 215 K HN 1.310 nan 8.250 nan 0.000 0.474 216 A N 3.917 126.804 122.820 0.112 0.000 2.454 216 A HA 0.274 4.594 4.320 -0.000 0.000 0.260 216 A C -0.457 177.259 177.584 0.220 0.000 1.106 216 A CA 0.034 52.168 52.037 0.163 0.000 0.780 216 A CB -0.236 18.829 19.000 0.109 0.000 1.044 216 A HN 1.020 nan 8.150 nan 0.000 0.498 217 H N 0.514 119.604 119.070 0.034 0.000 3.015 217 H HA 0.675 5.231 4.556 -0.000 0.000 0.282 217 H C -0.124 175.239 175.328 0.057 0.000 1.508 217 H CA -1.197 54.878 56.048 0.045 0.000 1.209 217 H CB 0.736 30.531 29.762 0.054 0.000 1.869 217 H HN 0.652 nan 8.280 nan 0.000 0.591 218 R N 1.122 121.509 120.500 -0.189 0.000 2.537 218 R HA 0.271 4.610 4.340 -0.000 0.000 0.280 218 R C -1.048 175.024 176.300 -0.381 0.000 1.058 218 R CA -0.097 55.895 56.100 -0.180 0.000 1.057 218 R CB 0.210 30.506 30.300 -0.007 0.000 0.973 218 R HN 0.515 nan 8.270 nan 0.000 0.438 226 L N 1.576 122.747 121.223 -0.086 0.000 2.042 226 L HA 0.038 4.378 4.340 -0.000 0.000 0.210 226 L C 2.313 179.094 176.870 -0.148 0.000 1.076 226 L CA 1.925 56.702 54.840 -0.105 0.000 0.749 226 L CB -0.151 41.928 42.059 0.032 0.000 0.893 226 L HN -0.017 nan 8.230 nan 0.000 0.432 227 R N -1.367 119.040 120.500 -0.155 0.000 2.073 227 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 227 R C 2.101 178.318 176.300 -0.139 0.000 1.134 227 R CA 2.129 58.101 56.100 -0.214 0.000 0.952 227 R CB -0.427 29.631 30.300 -0.403 0.000 0.850 227 R HN 0.414 nan 8.270 nan 0.000 0.433 228 T N 0.801 115.299 114.554 -0.094 0.000 2.708 228 T HA -0.197 4.153 4.350 -0.000 0.000 0.266 228 T C 1.714 176.400 174.700 -0.023 0.000 1.037 228 T CA 1.569 63.670 62.100 0.002 0.000 1.146 228 T CB -0.158 68.771 68.868 0.101 0.000 0.865 228 T HN 0.258 nan 8.240 nan 0.000 0.435 229 M N 0.419 119.881 119.600 -0.230 0.000 2.080 229 M HA -0.080 4.400 4.480 -0.000 0.000 0.260 229 M C 2.201 178.323 176.300 -0.297 0.000 1.068 229 M CA 1.457 56.462 55.300 -0.492 0.000 1.109 229 M CB -0.279 31.795 32.600 -0.877 0.000 1.342 229 M HN 0.228 nan 8.290 nan 0.000 0.405 230 L N 0.259 121.290 121.223 -0.320 0.000 1.990 230 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 230 L C 2.383 179.127 176.870 -0.209 0.000 1.072 230 L CA 2.281 56.891 54.840 -0.383 0.000 0.755 230 L CB -0.917 40.828 42.059 -0.523 0.000 0.889 230 L HN 0.385 nan 8.230 nan 0.000 0.432 231 V N -3.003 116.855 119.914 -0.093 0.000 2.427 231 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 231 V C 2.168 178.300 176.094 0.063 0.000 1.051 231 V CA 1.908 64.221 62.300 0.021 0.000 1.048 231 V CB -1.088 30.844 31.823 0.181 0.000 0.666 231 V HN 0.615 nan 8.190 nan 0.000 0.456 232 E N -0.299 119.937 120.200 0.060 0.000 2.107 232 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 232 E C 2.259 178.874 176.600 0.026 0.000 0.982 232 E CA 1.466 57.917 56.400 0.084 0.000 0.809 232 E CB -0.301 29.498 29.700 0.165 0.000 0.756 232 E HN 0.706 nan 8.360 nan 0.000 0.459 233 C N 0.586 119.875 119.300 -0.017 0.000 2.429 233 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 233 C C 2.416 177.355 174.990 -0.086 0.000 1.262 233 C CA 0.360 59.344 59.018 -0.057 0.000 1.733 233 C CB -0.910 26.771 27.740 -0.097 0.000 2.010 233 C HN 0.435 nan 8.230 nan 0.000 0.483 234 F N 2.328 122.140 119.950 -0.230 0.000 2.134 234 F HA -0.056 4.470 4.527 -0.000 0.000 0.299 234 F C 2.331 177.970 175.800 -0.268 0.000 1.097 234 F CA 1.465 59.278 58.000 -0.312 0.000 1.264 234 F CB -0.559 38.128 39.000 -0.522 0.000 1.001 234 F HN 0.153 nan 8.300 nan 0.000 0.479 235 A N 0.603 123.295 122.820 -0.214 0.000 1.908 235 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 235 A C 2.464 179.913 177.584 -0.224 0.000 1.181 235 A CA 1.973 53.916 52.037 -0.157 0.000 0.627 235 A CB -1.637 17.412 19.000 0.082 0.000 0.818 235 A HN 0.538 nan 8.150 nan 0.000 0.445 236 A N -0.013 122.704 122.820 -0.171 0.000 1.873 236 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 236 A C 2.166 179.622 177.584 -0.212 0.000 1.193 236 A CA 1.773 53.718 52.037 -0.153 0.000 0.629 236 A CB -0.698 18.242 19.000 -0.100 0.000 0.826 236 A HN 0.513 nan 8.150 nan 0.000 0.447 237 I N -0.800 119.603 120.570 -0.279 0.000 2.179 237 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 237 I C 2.856 178.781 176.117 -0.321 0.000 1.088 237 I CA 1.842 62.995 61.300 -0.245 0.000 1.357 237 I CB -0.336 37.525 38.000 -0.230 0.000 1.051 237 I HN 0.555 nan 8.210 nan 0.000 0.409 238 Q N 0.669 120.116 119.800 -0.588 0.000 2.096 238 Q HA -0.256 4.083 4.340 -0.000 0.000 0.204 238 Q C 2.252 178.087 176.000 -0.275 0.000 0.982 238 Q CA 2.395 57.896 55.803 -0.503 0.000 0.850 238 Q CB -0.061 28.319 28.738 -0.597 0.000 0.901 238 Q HN 0.595 nan 8.270 nan 0.000 0.422 239 S N -0.527 115.042 115.700 -0.218 0.000 2.474 239 S HA -0.060 4.410 4.470 -0.000 0.000 0.235 239 S C 1.618 176.139 174.600 -0.131 0.000 0.997 239 S CA 0.635 58.752 58.200 -0.139 0.000 0.949 239 S CB -0.112 63.020 63.200 -0.113 0.000 0.766 239 S HN 0.445 nan 8.310 nan 0.000 0.517 240 L N 1.450 122.575 121.223 -0.163 0.000 2.607 240 L HA 0.185 4.525 4.340 -0.000 0.000 0.228 240 L C 2.647 179.559 176.870 0.069 0.000 1.123 240 L CA 0.240 54.977 54.840 -0.171 0.000 0.890 240 L CB -0.309 41.452 42.059 -0.496 0.000 1.103 240 L HN 0.480 nan 8.230 nan 0.000 0.468 241 Q N -0.471 119.284 119.800 -0.076 0.000 2.291 241 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 241 Q C 1.065 176.934 176.000 -0.220 0.000 0.976 241 Q CA 1.369 57.049 55.803 -0.206 0.000 0.875 241 Q CB -0.196 28.291 28.738 -0.418 0.000 0.927 241 Q HN 0.533 nan 8.270 nan 0.000 0.450 242 H N 0.531 119.657 119.070 0.093 0.000 2.529 242 H HA 0.271 4.827 4.556 -0.000 0.000 0.277 242 H C -0.084 175.358 175.328 0.190 0.000 1.004 242 H CA -0.037 56.069 56.048 0.096 0.000 1.167 242 H CB 0.362 30.148 29.762 0.040 0.000 1.445 242 H HN 0.321 nan 8.280 nan 0.000 0.554 243 E N 1.356 121.795 120.200 0.398 0.000 2.383 243 E HA 0.134 4.484 4.350 -0.000 0.000 0.264 243 E C -0.064 176.856 176.600 0.533 0.000 1.050 243 E CA -0.221 56.426 56.400 0.413 0.000 0.896 243 E CB 2.246 32.178 29.700 0.387 0.000 0.982 243 E HN -0.091 nan 8.360 nan 0.000 0.424 244 V N 2.798 122.918 119.914 0.343 0.000 2.435 244 V HA 0.248 4.368 4.120 -0.000 0.000 0.290 244 V C -0.086 176.113 176.094 0.174 0.000 1.030 244 V CA -0.631 61.845 62.300 0.293 0.000 0.881 244 V CB 1.863 33.793 31.823 0.178 0.000 0.983 244 V HN 0.338 nan 8.190 nan 0.000 0.445 245 V N 4.028 124.030 119.914 0.147 0.000 2.531 245 V HA 0.618 4.738 4.120 -0.000 0.000 0.301 245 V C 0.792 176.887 176.094 0.001 0.000 1.034 245 V CA -0.432 61.833 62.300 -0.059 0.000 0.865 245 V CB 1.604 33.230 31.823 -0.327 0.000 0.995 245 V HN 0.962 nan 8.190 nan 0.000 0.424 246 G N 3.458 112.235 108.800 -0.038 0.000 2.750 246 G HA2 0.253 4.213 3.960 -0.000 0.000 0.250 246 G HA3 0.253 4.213 3.960 -0.000 0.000 0.250 246 G C 0.120 175.009 174.900 -0.018 0.000 1.230 246 G CA -0.280 44.807 45.100 -0.021 0.000 0.883 246 G HN 0.896 nan 8.290 nan 0.000 0.573 247 Q N -0.192 119.605 119.800 -0.006 0.000 2.421 247 Q HA 0.287 4.626 4.340 -0.000 0.000 0.255 247 Q C -2.242 173.746 176.000 -0.020 0.000 1.013 247 Q CA -1.201 54.604 55.803 0.004 0.000 0.895 247 Q CB -0.199 28.542 28.738 0.004 0.000 1.271 247 Q HN 0.203 nan 8.270 nan 0.000 0.460 248 P HA -0.094 nan 4.420 nan 0.000 0.265 248 P C -1.048 176.234 177.300 -0.030 0.000 1.167 248 P CA 0.615 63.695 63.100 -0.032 0.000 0.760 248 P CB 0.347 32.031 31.700 -0.027 0.000 0.783 249 A N 3.354 126.153 122.820 -0.035 0.000 2.517 249 A HA 0.520 4.840 4.320 -0.000 0.000 0.280 249 A C 0.182 177.785 177.584 0.031 0.000 1.353 249 A CA -0.810 51.221 52.037 -0.011 0.000 0.907 249 A CB 0.155 19.142 19.000 -0.022 0.000 1.495 249 A HN 0.525 nan 8.150 nan 0.000 0.506 250 I N 1.218 121.825 120.570 0.061 0.000 2.598 250 I HA 0.104 4.274 4.170 -0.000 0.000 0.284 250 I C 0.336 176.585 176.117 0.219 0.000 1.140 250 I CA 0.917 62.290 61.300 0.122 0.000 1.420 250 I CB -0.016 38.057 38.000 0.122 0.000 1.387 250 I HN 0.645 nan 8.210 nan 0.000 0.553 251 H N 7.470 126.577 119.070 0.061 0.000 3.181 251 H HA 0.487 5.043 4.556 -0.000 0.000 0.331 251 H C -1.246 174.083 175.328 0.002 0.000 0.988 251 H CA -0.902 55.161 56.048 0.025 0.000 1.449 251 H CB 0.980 30.716 29.762 -0.043 0.000 1.749 251 H HN 0.622 nan 8.280 nan 0.000 0.501 252 R N 3.464 123.870 120.500 -0.157 0.000 2.744 252 R HA 0.275 4.615 4.340 -0.000 0.000 0.279 252 R C -1.099 174.898 176.300 -0.506 0.000 0.977 252 R CA -1.011 54.927 56.100 -0.270 0.000 0.906 252 R CB 2.980 33.321 30.300 0.067 0.000 1.197 252 R HN 0.656 nan 8.270 nan 0.000 0.463 253 Q N 0.775 120.288 119.800 -0.479 0.000 2.304 253 Q HA 0.321 4.661 4.340 -0.000 0.000 0.270 253 Q C -0.936 174.881 176.000 -0.305 0.000 1.035 253 Q CA -0.877 54.622 55.803 -0.506 0.000 0.781 253 Q CB 2.539 31.028 28.738 -0.414 0.000 1.261 253 Q HN 0.496 nan 8.270 nan 0.000 0.444 254 E N 2.641 122.631 120.200 -0.350 0.000 2.608 254 E HA -0.150 4.200 4.350 -0.000 0.000 0.259 254 E C -0.441 176.196 176.600 0.061 0.000 0.951 254 E CA 0.150 56.532 56.400 -0.030 0.000 0.945 254 E CB 0.545 30.280 29.700 0.059 0.000 0.916 254 E HN 0.527 nan 8.360 nan 0.000 0.477 255 H N 6.361 125.412 119.070 -0.030 0.000 2.886 255 H HA 0.115 4.671 4.556 -0.000 0.000 0.329 255 H C -2.175 173.047 175.328 -0.177 0.000 1.044 255 H CA -1.513 54.488 56.048 -0.079 0.000 1.456 255 H CB 0.634 30.346 29.762 -0.083 0.000 1.464 255 H HN 0.339 nan 8.280 nan 0.000 0.573 256 P HA 0.139 nan 4.420 nan 0.000 0.279 256 P C -0.238 176.610 177.300 -0.753 0.000 1.239 256 P CA -0.035 62.376 63.100 -1.147 0.000 0.789 256 P CB 1.208 32.426 31.700 -0.803 0.000 0.933 257 H N 0.679 119.334 119.070 -0.693 0.000 2.534 257 H HA 0.284 4.840 4.556 -0.000 0.000 0.364 257 H C 0.867 176.134 175.328 -0.102 0.000 1.328 257 H CA -0.757 55.183 56.048 -0.180 0.000 1.415 257 H CB 0.891 30.683 29.762 0.050 0.000 1.573 257 H HN 0.277 nan 8.280 nan 0.000 0.601 258 R N 0.919 121.491 120.500 0.120 0.000 2.590 258 R HA 0.043 4.383 4.340 -0.000 0.000 0.274 258 R C -0.430 175.924 176.300 0.089 0.000 1.061 258 R CA -0.350 55.800 56.100 0.083 0.000 1.081 258 R CB 0.555 30.890 30.300 0.057 0.000 0.984 258 R HN 0.309 nan 8.270 nan 0.000 0.448 259 V N 4.351 124.284 119.914 0.032 0.000 2.694 259 V HA 0.007 4.127 4.120 -0.000 0.000 0.306 259 V C -1.836 174.189 176.094 -0.114 0.000 1.054 259 V CA -1.160 61.102 62.300 -0.064 0.000 1.161 259 V CB -0.162 31.450 31.823 -0.351 0.000 0.916 259 V HN 0.697 nan 8.190 nan 0.000 0.490 260 P HA 0.115 nan 4.420 nan 0.000 0.266 260 P C 1.026 178.167 177.300 -0.264 0.000 1.195 260 P CA -0.085 62.897 63.100 -0.198 0.000 0.768 260 P CB 0.687 32.183 31.700 -0.341 0.000 0.838 261 V N 3.128 122.953 119.914 -0.149 0.000 2.252 261 V HA -0.304 3.816 4.120 -0.000 0.000 0.249 261 V C 2.358 178.389 176.094 -0.104 0.000 1.056 261 V CA 2.389 64.627 62.300 -0.104 0.000 1.022 261 V CB -1.495 30.315 31.823 -0.022 0.000 0.641 261 V HN 0.801 nan 8.190 nan 0.000 0.445 262 H N -0.800 118.259 119.070 -0.019 0.000 2.457 262 H HA -0.146 4.410 4.556 -0.000 0.000 0.297 262 H C 2.161 177.487 175.328 -0.004 0.000 1.092 262 H CA 2.145 58.189 56.048 -0.007 0.000 1.309 262 H CB -0.312 29.453 29.762 0.004 0.000 1.382 262 H HN 0.448 nan 8.280 nan 0.000 0.535 263 I N 1.307 121.616 120.570 -0.435 0.000 2.277 263 I HA -0.096 4.074 4.170 -0.000 0.000 0.243 263 I C 3.021 179.067 176.117 -0.117 0.000 1.094 263 I CA 0.824 62.008 61.300 -0.193 0.000 1.393 263 I CB -0.347 37.510 38.000 -0.239 0.000 1.078 263 I HN 0.307 nan 8.210 nan 0.000 0.417 264 A N 0.142 122.815 122.820 -0.246 0.000 2.070 264 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 264 A C 1.749 179.288 177.584 -0.076 0.000 1.159 264 A CA 1.401 53.263 52.037 -0.292 0.000 0.656 264 A CB -0.484 18.221 19.000 -0.492 0.000 0.800 264 A HN 0.469 nan 8.150 nan 0.000 0.453 265 E N -0.501 119.673 120.200 -0.043 0.000 2.496 265 E HA 0.114 4.464 4.350 -0.000 0.000 0.202 265 E C -0.024 176.592 176.600 0.026 0.000 1.021 265 E CA -0.324 56.077 56.400 0.001 0.000 1.015 265 E CB 0.152 29.853 29.700 0.003 0.000 1.102 265 E HN 0.741 nan 8.360 nan 0.000 0.452 266 R N -1.484 119.042 120.500 0.044 0.000 2.892 266 R HA 0.622 4.962 4.340 -0.000 0.000 0.265 266 R C -0.815 175.511 176.300 0.042 0.000 1.025 266 R CA -0.818 55.312 56.100 0.051 0.000 0.982 266 R CB 1.324 31.673 30.300 0.082 0.000 1.185 266 R HN -0.190 nan 8.270 nan 0.000 0.484 267 V N 2.114 122.039 119.914 0.019 0.000 2.357 267 V HA 0.279 4.399 4.120 -0.000 0.000 0.284 267 V C 1.301 177.407 176.094 0.019 0.000 1.018 267 V CA -0.091 62.197 62.300 -0.020 0.000 0.841 267 V CB 1.350 33.112 31.823 -0.101 0.000 0.991 267 V HN 1.093 nan 8.190 nan 0.000 0.437 268 G N 4.532 113.377 108.800 0.076 0.000 2.532 268 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.222 268 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.222 268 G C 0.321 175.409 174.900 0.313 0.000 1.102 268 G CA 1.982 47.209 45.100 0.211 0.000 0.742 268 G HN 0.957 nan 8.290 nan 0.000 0.577 269 Y N -3.332 116.985 120.300 0.028 0.000 2.814 269 Y HA 0.522 5.072 4.550 -0.000 0.000 0.348 269 Y C -1.852 174.052 175.900 0.007 0.000 1.245 269 Y CA -2.102 56.012 58.100 0.023 0.000 1.086 269 Y CB 0.517 38.988 38.460 0.019 0.000 1.373 269 Y HN -0.131 nan 8.280 nan 0.000 0.451 270 D N 1.118 121.627 120.400 0.182 0.000 2.380 270 D HA 0.305 4.945 4.640 -0.000 0.000 0.230 270 D C 0.625 177.007 176.300 0.137 0.000 1.154 270 D CA -0.040 54.006 54.000 0.077 0.000 0.859 270 D CB 1.804 42.667 40.800 0.104 0.000 1.045 270 D HN 0.541 nan 8.370 nan 0.000 0.495 271 V N 4.307 124.191 119.914 -0.051 0.000 2.307 271 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 271 V C 2.375 178.513 176.094 0.074 0.000 1.045 271 V CA 1.667 63.972 62.300 0.009 0.000 1.024 271 V CB -0.477 31.259 31.823 -0.145 0.000 0.651 271 V HN 0.665 nan 8.190 nan 0.000 0.449 272 E N 0.253 120.479 120.200 0.044 0.000 2.049 272 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 272 E C 2.247 178.919 176.600 0.120 0.000 1.007 272 E CA 1.710 58.148 56.400 0.064 0.000 0.809 272 E CB -0.233 29.490 29.700 0.038 0.000 0.749 272 E HN 0.553 nan 8.360 nan 0.000 0.450 273 A N 0.170 123.071 122.820 0.135 0.000 1.940 273 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 273 A C 2.372 180.067 177.584 0.184 0.000 1.176 273 A CA 2.107 54.249 52.037 0.176 0.000 0.631 273 A CB -0.902 18.187 19.000 0.149 0.000 0.814 273 A HN 0.346 nan 8.150 nan 0.000 0.446 274 T N 0.536 115.194 114.554 0.173 0.000 2.746 274 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 274 T C 1.805 176.574 174.700 0.115 0.000 1.039 274 T CA 1.473 63.651 62.100 0.129 0.000 1.142 274 T CB -0.401 68.531 68.868 0.107 0.000 0.866 274 T HN 0.389 nan 8.240 nan 0.000 0.444 275 L N 0.001 121.302 121.223 0.130 0.000 2.046 275 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 275 L C 2.546 179.542 176.870 0.209 0.000 1.077 275 L CA 1.639 56.568 54.840 0.148 0.000 0.747 275 L CB -0.706 41.435 42.059 0.137 0.000 0.896 275 L HN 0.458 nan 8.230 nan 0.000 0.432 276 H N 0.022 119.146 119.070 0.090 0.000 2.319 276 H HA -0.226 4.330 4.556 -0.000 0.000 0.299 276 H C 2.462 177.850 175.328 0.100 0.000 1.092 276 H CA 1.330 57.429 56.048 0.086 0.000 1.302 276 H CB 0.300 30.104 29.762 0.069 0.000 1.373 276 H HN 0.025 nan 8.280 nan 0.000 0.497 277 R N 0.912 121.490 120.500 0.130 0.000 2.159 277 R HA -0.109 4.231 4.340 -0.000 0.000 0.237 277 R C 2.160 178.541 176.300 0.135 0.000 1.131 277 R CA 0.819 56.966 56.100 0.079 0.000 0.982 277 R CB -0.859 29.549 30.300 0.181 0.000 0.868 277 R HN 0.356 nan 8.270 nan 0.000 0.453 278 L N -0.329 120.986 121.223 0.153 0.000 2.275 278 L HA 0.081 4.421 4.340 -0.000 0.000 0.215 278 L C 1.483 178.516 176.870 0.272 0.000 1.119 278 L CA 1.587 56.525 54.840 0.163 0.000 0.790 278 L CB -0.134 42.023 42.059 0.163 0.000 0.919 278 L HN 0.248 nan 8.230 nan 0.000 0.443 279 M N -1.532 118.237 119.600 0.282 0.000 2.431 279 M HA 0.128 4.608 4.480 -0.000 0.000 0.237 279 M C 0.152 176.673 176.300 0.367 0.000 1.130 279 M CA 0.194 55.728 55.300 0.391 0.000 1.002 279 M CB 0.265 33.036 32.600 0.286 0.000 1.524 279 M HN 0.160 nan 8.290 nan 0.000 0.482 280 Q N -0.955 118.932 119.800 0.145 0.000 2.306 280 Q HA 0.330 4.669 4.340 -0.000 0.000 0.269 280 Q C -0.325 175.613 176.000 -0.103 0.000 1.053 280 Q CA -0.955 54.812 55.803 -0.060 0.000 0.879 280 Q CB 1.143 29.672 28.738 -0.347 0.000 1.344 280 Q HN 0.199 nan 8.270 nan 0.000 0.464 281 H N -1.638 117.443 119.070 0.019 0.000 2.791 281 H HA -0.183 4.372 4.556 -0.000 0.000 0.302 281 H C -1.121 174.149 175.328 -0.097 0.000 1.198 281 H CA 0.576 56.599 56.048 -0.042 0.000 1.145 281 H CB -1.688 28.020 29.762 -0.090 0.000 1.385 281 H HN 0.524 nan 8.280 nan 0.000 0.409 282 W N 0.055 121.406 121.300 0.085 0.000 2.086 282 W HA 0.428 5.088 4.660 -0.000 0.000 0.355 282 W C 0.654 177.196 176.519 0.038 0.000 1.313 282 W CA 0.534 57.910 57.345 0.052 0.000 1.358 282 W CB 1.032 30.508 29.460 0.026 0.000 1.166 282 W HN 0.033 nan 8.180 nan 0.000 0.630 283 T N 1.337 116.108 114.554 0.362 0.000 3.159 283 T HA 0.128 4.478 4.350 -0.000 0.000 0.343 283 T C -2.122 172.682 174.700 0.174 0.000 1.364 283 T CA -0.870 61.339 62.100 0.182 0.000 1.102 283 T CB 1.680 70.599 68.868 0.086 0.000 1.263 283 T HN -0.002 nan 8.240 nan 0.000 0.477 284 P HA -0.045 nan 4.420 nan 0.000 0.216 284 P C 1.511 178.840 177.300 0.048 0.000 1.150 284 P CA 0.754 63.892 63.100 0.065 0.000 0.837 284 P CB 0.287 32.008 31.700 0.035 0.000 0.786 285 R N 0.126 120.640 120.500 0.025 0.000 2.091 285 R HA -0.185 4.155 4.340 -0.000 0.000 0.238 285 R C 2.280 178.549 176.300 -0.051 0.000 1.136 285 R CA 1.651 57.739 56.100 -0.020 0.000 0.959 285 R CB -0.562 29.715 30.300 -0.039 0.000 0.856 285 R HN 0.205 nan 8.270 nan 0.000 0.437 286 Q N -0.521 119.272 119.800 -0.012 0.000 2.084 286 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 286 Q C 2.118 178.175 176.000 0.095 0.000 0.978 286 Q CA 1.782 57.571 55.803 -0.024 0.000 0.844 286 Q CB 0.048 28.788 28.738 0.003 0.000 0.898 286 Q HN 0.221 nan 8.270 nan 0.000 0.426 287 V N 1.016 121.044 119.914 0.190 0.000 2.392 287 V HA -0.276 3.843 4.120 -0.000 0.000 0.249 287 V C 2.062 178.189 176.094 0.055 0.000 1.059 287 V CA 2.042 64.427 62.300 0.141 0.000 1.051 287 V CB -0.492 31.364 31.823 0.055 0.000 0.658 287 V HN 0.382 nan 8.190 nan 0.000 0.455 288 E N -0.300 119.912 120.200 0.020 0.000 2.046 288 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 288 E C 2.167 178.759 176.600 -0.013 0.000 0.982 288 E CA 0.753 57.152 56.400 -0.002 0.000 0.800 288 E CB -0.034 29.658 29.700 -0.014 0.000 0.756 288 E HN 0.323 nan 8.360 nan 0.000 0.449 289 L N 1.035 122.213 121.223 -0.076 0.000 2.129 289 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 289 L C 2.187 179.097 176.870 0.067 0.000 1.087 289 L CA 1.397 56.153 54.840 -0.140 0.000 0.757 289 L CB -0.856 40.902 42.059 -0.502 0.000 0.896 289 L HN 0.309 nan 8.230 nan 0.000 0.434 290 L N -0.983 120.314 121.223 0.123 0.000 2.261 290 L HA -0.214 4.126 4.340 -0.000 0.000 0.216 290 L C 2.316 179.355 176.870 0.283 0.000 1.114 290 L CA 0.529 55.531 54.840 0.271 0.000 0.777 290 L CB -0.345 41.789 42.059 0.125 0.000 0.910 290 L HN 0.228 nan 8.230 nan 0.000 0.440 291 E N 0.504 120.784 120.200 0.133 0.000 2.267 291 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 291 E C 1.976 178.608 176.600 0.053 0.000 0.998 291 E CA 1.010 57.455 56.400 0.075 0.000 0.830 291 E CB -0.183 29.532 29.700 0.026 0.000 0.751 291 E HN 0.462 nan 8.360 nan 0.000 0.491 292 L N -0.643 120.592 121.223 0.021 0.000 2.552 292 L HA 0.076 4.416 4.340 -0.000 0.000 0.227 292 L C 0.124 176.838 176.870 -0.259 0.000 1.146 292 L CA -0.097 54.626 54.840 -0.195 0.000 0.858 292 L CB -0.014 41.796 42.059 -0.415 0.000 0.969 292 L HN -0.016 nan 8.230 nan 0.000 0.451 293 F N -0.619 119.367 119.950 0.059 0.000 2.440 293 F HA 0.285 4.812 4.527 -0.000 0.000 0.328 293 F C 1.240 177.081 175.800 0.068 0.000 1.070 293 F CA -1.242 56.809 58.000 0.085 0.000 1.011 293 F CB 0.829 39.892 39.000 0.104 0.000 1.226 293 F HN -0.185 nan 8.300 nan 0.000 0.491 294 T N -2.074 112.645 114.554 0.275 0.000 2.906 294 T HA 0.004 4.354 4.350 -0.000 0.000 0.320 294 T C 1.130 175.922 174.700 0.153 0.000 1.088 294 T CA -0.161 62.047 62.100 0.180 0.000 1.120 294 T CB 0.545 69.521 68.868 0.180 0.000 1.000 294 T HN 0.685 nan 8.240 nan 0.000 0.550 295 T N 3.773 118.386 114.554 0.098 0.000 2.624 295 T HA -0.077 4.273 4.350 -0.000 0.000 0.268 295 T C -0.671 174.046 174.700 0.029 0.000 1.041 295 T CA 1.851 63.985 62.100 0.057 0.000 1.159 295 T CB -1.531 67.361 68.868 0.040 0.000 0.863 295 T HN 0.606 nan 8.240 nan 0.000 0.434 296 P HA -0.053 nan 4.420 nan 0.000 0.216 296 P C 1.637 178.893 177.300 -0.073 0.000 1.153 296 P CA 0.700 63.825 63.100 0.043 0.000 0.858 296 P CB -0.231 31.560 31.700 0.151 0.000 0.789 297 V N -0.214 119.725 119.914 0.043 0.000 2.323 297 V HA -0.188 3.932 4.120 -0.000 0.000 0.244 297 V C 2.713 178.696 176.094 -0.186 0.000 1.041 297 V CA 1.787 64.086 62.300 -0.000 0.000 1.025 297 V CB -1.003 30.961 31.823 0.235 0.000 0.656 297 V HN 0.044 nan 8.190 nan 0.000 0.451 298 R N 0.145 120.622 120.500 -0.039 0.000 2.080 298 R HA -0.204 4.136 4.340 -0.000 0.000 0.236 298 R C 2.345 178.564 176.300 -0.134 0.000 1.137 298 R CA 1.968 58.048 56.100 -0.033 0.000 0.943 298 R CB -0.273 30.061 30.300 0.056 0.000 0.846 298 R HN 0.419 nan 8.270 nan 0.000 0.431 299 E N -0.205 119.900 120.200 -0.158 0.000 2.051 299 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 299 E C 1.914 178.325 176.600 -0.315 0.000 0.991 299 E CA 1.378 57.667 56.400 -0.185 0.000 0.799 299 E CB -0.664 28.957 29.700 -0.132 0.000 0.748 299 E HN 0.608 nan 8.360 nan 0.000 0.449 300 G N 1.784 110.219 108.800 -0.608 0.000 2.514 300 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 300 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 300 G C 1.639 176.158 174.900 -0.635 0.000 1.198 300 G CA 0.740 45.166 45.100 -1.124 0.000 0.780 300 G HN 0.234 nan 8.290 nan 0.000 0.565 301 L N -0.037 120.910 121.223 -0.459 0.000 2.083 301 L HA -0.012 4.328 4.340 -0.000 0.000 0.209 301 L C 3.172 180.093 176.870 0.086 0.000 1.083 301 L CA 1.188 56.040 54.840 0.020 0.000 0.752 301 L CB -0.357 41.762 42.059 0.101 0.000 0.899 301 L HN 0.263 nan 8.230 nan 0.000 0.433 302 R N -0.953 119.499 120.500 -0.079 0.000 2.105 302 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 302 R C 2.032 178.188 176.300 -0.240 0.000 1.135 302 R CA 1.949 57.923 56.100 -0.209 0.000 0.967 302 R CB -0.413 29.777 30.300 -0.183 0.000 0.861 302 R HN 0.374 nan 8.270 nan 0.000 0.442 303 T N 0.164 114.626 114.554 -0.153 0.000 2.778 303 T HA -0.207 4.143 4.350 -0.000 0.000 0.269 303 T C 1.846 176.507 174.700 -0.066 0.000 1.050 303 T CA 1.244 63.278 62.100 -0.111 0.000 1.137 303 T CB -0.414 68.405 68.868 -0.082 0.000 0.860 303 T HN 0.395 nan 8.240 nan 0.000 0.468 304 C N 1.717 121.031 119.300 0.024 0.000 2.443 304 C HA -0.043 4.417 4.460 -0.000 0.000 0.290 304 C C 2.658 177.709 174.990 0.101 0.000 1.476 304 C CA 0.217 59.337 59.018 0.170 0.000 1.772 304 C CB -1.422 26.562 27.740 0.407 0.000 1.714 304 C HN 0.622 nan 8.230 nan 0.000 0.562 305 Q N -0.023 119.603 119.800 -0.289 0.000 2.172 305 Q HA -0.075 4.265 4.340 -0.000 0.000 0.200 305 Q C 2.275 178.172 176.000 -0.172 0.000 0.964 305 Q CA 1.069 56.581 55.803 -0.484 0.000 0.855 305 Q CB -0.012 28.245 28.738 -0.802 0.000 0.918 305 Q HN 0.691 nan 8.270 nan 0.000 0.444 306 R N 0.121 120.551 120.500 -0.116 0.000 2.123 306 R HA 0.144 4.483 4.340 -0.000 0.000 0.209 306 R C 0.614 176.912 176.300 -0.003 0.000 1.078 306 R CA 0.471 56.537 56.100 -0.056 0.000 1.028 306 R CB 0.501 30.758 30.300 -0.071 0.000 0.939 306 R HN 0.091 nan 8.270 nan 0.000 0.463 307 R N 0.446 120.956 120.500 0.015 0.000 2.680 307 R HA 0.412 4.752 4.340 -0.000 0.000 0.269 307 R C -3.224 173.126 176.300 0.084 0.000 1.026 307 R CA -2.122 54.004 56.100 0.043 0.000 0.889 307 R CB 1.441 31.749 30.300 0.012 0.000 1.241 307 R HN -0.246 nan 8.270 nan 0.000 0.463 308 P HA 0.192 nan 4.420 nan 0.000 0.267 308 P C -1.236 176.145 177.300 0.135 0.000 1.205 308 P CA -0.020 63.196 63.100 0.194 0.000 0.765 308 P CB 1.220 33.066 31.700 0.245 0.000 0.828 309 A N 3.073 126.008 122.820 0.191 0.000 2.486 309 A HA 0.738 5.058 4.320 -0.000 0.000 0.300 309 A C -0.524 177.226 177.584 0.277 0.000 1.048 309 A CA -0.483 51.590 52.037 0.060 0.000 0.696 309 A CB 0.597 19.658 19.000 0.102 0.000 1.278 309 A HN 0.560 nan 8.150 nan 0.000 0.405 310 F N -0.345 119.700 119.950 0.160 0.000 3.064 310 F HA 0.229 4.756 4.527 -0.000 0.000 0.406 310 F C 0.846 176.468 175.800 -0.296 0.000 1.027 310 F CA -0.252 57.641 58.000 -0.178 0.000 0.960 310 F CB -0.393 38.505 39.000 -0.170 0.000 1.418 310 F HN 0.363 nan 8.300 nan 0.000 0.536 311 N N 2.271 120.814 118.700 -0.261 0.000 2.192 311 N HA -0.185 4.555 4.740 -0.000 0.000 0.188 311 N C 1.694 177.192 175.510 -0.021 0.000 1.013 311 N CA 2.142 55.137 53.050 -0.092 0.000 0.863 311 N CB -0.679 37.741 38.487 -0.112 0.000 0.990 311 N HN 0.645 nan 8.380 nan 0.000 0.430 312 F N -0.438 119.523 119.950 0.018 0.000 2.365 312 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 312 F C 1.255 177.121 175.800 0.111 0.000 1.090 312 F CA 0.268 58.302 58.000 0.057 0.000 1.408 312 F CB -0.443 38.586 39.000 0.048 0.000 1.060 312 F HN -0.127 nan 8.300 nan 0.000 0.534 313 M N 3.359 122.510 119.600 -0.749 0.000 3.590 313 M HA 0.214 4.694 4.480 -0.000 0.000 0.214 313 M C -0.559 175.679 176.300 -0.103 0.000 1.306 313 M CA -1.186 53.836 55.300 -0.462 0.000 1.479 313 M CB -1.401 30.755 32.600 -0.741 0.000 1.083 313 M HN 0.331 nan 8.290 nan 0.000 0.617 314 D N -0.966 119.460 120.400 0.043 0.000 2.398 314 D HA 0.025 4.665 4.640 -0.000 0.000 0.264 314 D C 0.819 177.260 176.300 0.233 0.000 1.263 314 D CA -0.217 53.853 54.000 0.116 0.000 1.037 314 D CB 0.314 41.191 40.800 0.128 0.000 1.101 314 D HN 0.469 nan 8.370 nan 0.000 0.551 315 E N -1.307 119.053 120.200 0.267 0.000 2.048 315 E HA -0.254 4.096 4.350 -0.000 0.000 0.202 315 E C 1.950 178.817 176.600 0.444 0.000 1.021 315 E CA 1.595 58.207 56.400 0.353 0.000 0.825 315 E CB -0.033 29.800 29.700 0.222 0.000 0.756 315 E HN 0.351 nan 8.360 nan 0.000 0.454 316 M N -0.148 119.645 119.600 0.322 0.000 2.200 316 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 316 M C 2.303 178.773 176.300 0.282 0.000 1.066 316 M CA 1.362 56.841 55.300 0.298 0.000 1.127 316 M CB -1.247 31.485 32.600 0.221 0.000 1.379 316 M HN 0.199 nan 8.290 nan 0.000 0.420 317 A N -0.484 122.509 122.820 0.288 0.000 1.908 317 A HA -0.238 4.081 4.320 -0.000 0.000 0.218 317 A C 2.198 179.996 177.584 0.357 0.000 1.181 317 A CA 1.537 53.758 52.037 0.307 0.000 0.627 317 A CB -1.325 17.864 19.000 0.315 0.000 0.818 317 A HN 0.761 nan 8.150 nan 0.000 0.445 318 W N 0.501 121.913 121.300 0.187 0.000 2.388 318 W HA -0.108 4.552 4.660 -0.000 0.000 0.294 318 W C 2.233 178.845 176.519 0.155 0.000 1.212 318 W CA 1.478 58.932 57.345 0.181 0.000 1.271 318 W CB -0.095 29.480 29.460 0.191 0.000 1.126 318 W HN 0.431 nan 8.180 nan 0.000 0.535 319 A N 0.989 123.834 122.820 0.043 0.000 1.898 319 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 319 A C 2.124 179.671 177.584 -0.062 0.000 1.181 319 A CA 2.314 54.207 52.037 -0.240 0.000 0.620 319 A CB -1.271 17.609 19.000 -0.201 0.000 0.819 319 A HN 0.298 nan 8.150 nan 0.000 0.442 320 A N -0.810 122.074 122.820 0.108 0.000 1.883 320 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 320 A C 2.310 179.989 177.584 0.158 0.000 1.186 320 A CA 2.386 54.529 52.037 0.177 0.000 0.624 320 A CB -1.396 17.720 19.000 0.194 0.000 0.822 320 A HN 0.422 nan 8.150 nan 0.000 0.444 321 T N -1.729 112.907 114.554 0.136 0.000 2.720 321 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 321 T C 1.753 176.420 174.700 -0.055 0.000 1.037 321 T CA 1.708 63.916 62.100 0.179 0.000 1.144 321 T CB -0.432 68.490 68.868 0.090 0.000 0.864 321 T HN 0.539 nan 8.240 nan 0.000 0.444 322 Y N 1.139 121.142 120.300 -0.494 0.000 2.181 322 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 322 Y C 2.734 178.445 175.900 -0.315 0.000 1.146 322 Y CA 1.577 59.330 58.100 -0.579 0.000 1.164 322 Y CB -0.144 37.834 38.460 -0.803 0.000 0.982 322 Y HN 0.346 nan 8.280 nan 0.000 0.515 323 H N -1.491 117.602 119.070 0.039 0.000 2.353 323 H HA -0.160 4.396 4.556 -0.000 0.000 0.300 323 H C 2.461 177.774 175.328 -0.024 0.000 1.090 323 H CA 1.834 57.888 56.048 0.009 0.000 1.327 323 H CB -0.627 29.124 29.762 -0.018 0.000 1.383 323 H HN 0.272 nan 8.280 nan 0.000 0.508 324 V N 1.391 121.356 119.914 0.085 0.000 2.287 324 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 324 V C 2.887 178.979 176.094 -0.002 0.000 1.053 324 V CA 1.427 63.719 62.300 -0.014 0.000 1.027 324 V CB -0.744 30.898 31.823 -0.302 0.000 0.646 324 V HN 0.225 nan 8.190 nan 0.000 0.447 325 L N -0.858 120.367 121.223 0.002 0.000 2.042 325 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 325 L C 2.432 179.349 176.870 0.080 0.000 1.076 325 L CA 1.530 56.347 54.840 -0.038 0.000 0.749 325 L CB -0.511 41.296 42.059 -0.420 0.000 0.893 325 L HN 0.294 nan 8.230 nan 0.000 0.432 326 L N -0.547 120.733 121.223 0.095 0.000 2.127 326 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 326 L C 2.562 179.394 176.870 -0.063 0.000 1.089 326 L CA 1.405 56.272 54.840 0.044 0.000 0.757 326 L CB -0.319 41.732 42.059 -0.013 0.000 0.899 326 L HN 0.378 nan 8.230 nan 0.000 0.434 327 E N -1.325 118.808 120.200 -0.112 0.000 2.276 327 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 327 E C 1.370 177.700 176.600 -0.450 0.000 0.983 327 E CA 0.541 56.775 56.400 -0.277 0.000 0.861 327 E CB 0.318 29.822 29.700 -0.327 0.000 0.817 327 E HN 0.611 nan 8.360 nan 0.000 0.485 328 H N -1.942 117.007 119.070 -0.201 0.000 3.255 328 H HA 0.151 4.707 4.556 -0.000 0.000 0.256 328 H C -0.383 174.410 175.328 -0.890 0.000 1.049 328 H CA -0.458 55.370 56.048 -0.366 0.000 1.202 328 H CB 0.447 30.078 29.762 -0.217 0.000 1.497 328 H HN 0.011 nan 8.280 nan 0.000 0.503 329 F N 3.233 122.661 119.950 -0.870 0.000 2.590 329 F HA 0.049 4.576 4.527 -0.000 0.000 0.389 329 F C 0.054 175.434 175.800 -0.700 0.000 1.049 329 F CA -0.187 57.162 58.000 -1.085 0.000 1.199 329 F CB 0.563 39.367 39.000 -0.326 0.000 1.058 329 F HN 0.019 nan 8.300 nan 0.000 0.556 330 Q N 8.607 127.514 119.800 -1.490 0.000 2.398 330 Q HA 0.302 4.642 4.340 -0.000 0.000 0.251 330 Q C -2.356 173.127 176.000 -0.860 0.000 0.999 330 Q CA -2.136 53.189 55.803 -0.797 0.000 0.874 330 Q CB 1.228 29.737 28.738 -0.381 0.000 1.215 330 Q HN 0.407 nan 8.270 nan 0.000 0.470 331 P HA 0.058 nan 4.420 nan 0.000 0.268 331 P C 0.771 177.997 177.300 -0.123 0.000 1.204 331 P CA 0.714 63.705 63.100 -0.182 0.000 0.768 331 P CB 0.754 32.500 31.700 0.076 0.000 0.842 332 G N 1.980 110.751 108.800 -0.048 0.000 2.268 332 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.240 332 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.240 332 G C 0.175 175.063 174.900 -0.021 0.000 1.010 332 G CA 0.032 45.121 45.100 -0.017 0.000 0.618 332 G HN 0.653 nan 8.290 nan 0.000 0.516 333 D N 1.772 122.144 120.400 -0.047 0.000 2.339 333 D HA 0.412 5.052 4.640 -0.000 0.000 0.256 333 D C -0.515 175.807 176.300 0.036 0.000 1.214 333 D CA -1.766 52.245 54.000 0.017 0.000 0.877 333 D CB 1.357 42.219 40.800 0.103 0.000 1.111 333 D HN 0.147 nan 8.370 nan 0.000 0.478 334 P HA -0.092 nan 4.420 nan 0.000 0.218 334 P C 0.754 178.053 177.300 -0.001 0.000 1.148 334 P CA 0.749 63.850 63.100 0.002 0.000 0.822 334 P CB 0.435 32.123 31.700 -0.021 0.000 0.784 335 D N -1.957 118.430 120.400 -0.020 0.000 2.123 335 D HA -0.115 4.525 4.640 -0.000 0.000 0.200 335 D C 1.909 178.156 176.300 -0.088 0.000 0.976 335 D CA 0.996 54.942 54.000 -0.090 0.000 0.831 335 D CB -0.616 40.088 40.800 -0.160 0.000 0.974 335 D HN 0.249 nan 8.370 nan 0.000 0.469 336 W N 1.690 122.971 121.300 -0.032 0.000 2.388 336 W HA -0.066 4.594 4.660 -0.000 0.000 0.294 336 W C 2.483 179.104 176.519 0.170 0.000 1.212 336 W CA 0.560 57.907 57.345 0.003 0.000 1.271 336 W CB -0.024 29.269 29.460 -0.278 0.000 1.126 336 W HN 0.020 nan 8.180 nan 0.000 0.535 337 E N -0.012 120.401 120.200 0.355 0.000 2.051 337 E HA -0.277 4.073 4.350 -0.000 0.000 0.192 337 E C 1.861 178.605 176.600 0.239 0.000 0.991 337 E CA 1.537 58.154 56.400 0.363 0.000 0.799 337 E CB -0.227 29.597 29.700 0.206 0.000 0.748 337 E HN 0.092 nan 8.360 nan 0.000 0.449 338 E N 0.941 121.209 120.200 0.114 0.000 2.110 338 E HA -0.187 4.163 4.350 -0.000 0.000 0.193 338 E C 1.858 178.503 176.600 0.076 0.000 0.988 338 E CA 0.684 57.119 56.400 0.059 0.000 0.804 338 E CB -0.177 29.488 29.700 -0.059 0.000 0.745 338 E HN 0.120 nan 8.360 nan 0.000 0.458 339 L N -0.097 121.157 121.223 0.051 0.000 2.056 339 L HA -0.031 4.309 4.340 -0.000 0.000 0.207 339 L C 2.277 179.222 176.870 0.126 0.000 1.078 339 L CA 1.454 56.301 54.840 0.012 0.000 0.749 339 L CB -0.776 41.261 42.059 -0.037 0.000 0.901 339 L HN 0.359 nan 8.230 nan 0.000 0.433 340 L N -1.223 120.153 121.223 0.254 0.000 2.012 340 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 340 L C 2.349 179.329 176.870 0.184 0.000 1.073 340 L CA 1.937 56.871 54.840 0.157 0.000 0.748 340 L CB -0.947 41.133 42.059 0.034 0.000 0.891 340 L HN 0.343 nan 8.230 nan 0.000 0.431 341 F N 0.286 120.279 119.950 0.071 0.000 2.126 341 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 341 F C 2.320 178.217 175.800 0.162 0.000 1.096 341 F CA 1.932 59.995 58.000 0.106 0.000 1.255 341 F CB -0.132 38.894 39.000 0.043 0.000 0.997 341 F HN 0.029 nan 8.300 nan 0.000 0.479 342 K N -0.207 120.197 120.400 0.007 0.000 2.062 342 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 342 K C 1.921 178.498 176.600 -0.038 0.000 1.051 342 K CA 0.967 57.189 56.287 -0.110 0.000 0.941 342 K CB -0.419 32.018 32.500 -0.106 0.000 0.719 342 K HN 0.222 nan 8.250 nan 0.000 0.440 343 L N 0.223 121.485 121.223 0.064 0.000 1.989 343 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 343 L C 2.155 179.156 176.870 0.217 0.000 1.071 343 L CA 1.680 56.626 54.840 0.176 0.000 0.749 343 L CB -1.215 40.960 42.059 0.195 0.000 0.890 343 L HN 0.332 nan 8.230 nan 0.000 0.431 344 W N 0.457 121.757 121.300 0.001 0.000 2.335 344 W HA -0.256 4.404 4.660 -0.000 0.000 0.311 344 W C 2.539 178.815 176.519 -0.406 0.000 1.213 344 W CA 2.458 59.659 57.345 -0.241 0.000 1.274 344 W CB -0.583 28.795 29.460 -0.137 0.000 1.148 344 W HN 0.073 nan 8.180 nan 0.000 0.498 345 T N 0.009 114.310 114.554 -0.422 0.000 2.699 345 T HA -0.297 4.053 4.350 -0.000 0.000 0.268 345 T C 1.747 176.134 174.700 -0.523 0.000 1.036 345 T CA 2.944 64.646 62.100 -0.662 0.000 1.147 345 T CB -0.933 67.571 68.868 -0.606 0.000 0.862 345 T HN 0.457 nan 8.240 nan 0.000 0.446 346 T N 0.422 114.791 114.554 -0.307 0.000 2.821 346 T HA -0.079 4.271 4.350 -0.000 0.000 0.267 346 T C 1.992 176.462 174.700 -0.384 0.000 1.046 346 T CA 1.066 63.027 62.100 -0.232 0.000 1.139 346 T CB -0.224 68.600 68.868 -0.073 0.000 0.871 346 T HN 0.144 nan 8.240 nan 0.000 0.454 347 R N 1.385 121.577 120.500 -0.513 0.000 2.073 347 R HA 0.036 4.376 4.340 -0.000 0.000 0.234 347 R C 2.314 178.254 176.300 -0.600 0.000 1.134 347 R CA 1.533 57.251 56.100 -0.637 0.000 0.952 347 R CB -1.343 28.247 30.300 -1.184 0.000 0.850 347 R HN 0.376 nan 8.270 nan 0.000 0.433 348 V N 0.870 120.306 119.914 -0.797 0.000 2.287 348 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 348 V C 2.385 178.236 176.094 -0.404 0.000 1.053 348 V CA 2.004 63.904 62.300 -0.668 0.000 1.027 348 V CB -0.495 30.701 31.823 -1.044 0.000 0.646 348 V HN 0.291 nan 8.190 nan 0.000 0.447 349 L N 0.286 121.208 121.223 -0.502 0.000 2.046 349 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 349 L C 2.587 179.111 176.870 -0.576 0.000 1.077 349 L CA 1.867 56.351 54.840 -0.594 0.000 0.747 349 L CB -0.761 40.770 42.059 -0.879 0.000 0.896 349 L HN 0.457 nan 8.230 nan 0.000 0.432 350 N N 0.004 118.487 118.700 -0.361 0.000 2.084 350 N HA -0.289 4.451 4.740 -0.000 0.000 0.190 350 N C 2.079 177.497 175.510 -0.153 0.000 1.030 350 N CA 1.795 54.768 53.050 -0.128 0.000 0.849 350 N CB -0.165 38.263 38.487 -0.098 0.000 1.012 350 N HN 0.368 nan 8.380 nan 0.000 0.423 351 Y N 1.800 121.922 120.300 -0.298 0.000 2.145 351 Y HA -0.149 4.401 4.550 -0.000 0.000 0.286 351 Y C 2.418 178.153 175.900 -0.275 0.000 1.145 351 Y CA 2.269 60.184 58.100 -0.308 0.000 1.148 351 Y CB -0.836 37.441 38.460 -0.305 0.000 0.981 351 Y HN -0.007 nan 8.280 nan 0.000 0.507 352 T N 1.270 115.601 114.554 -0.371 0.000 2.665 352 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 352 T C 1.751 176.219 174.700 -0.387 0.000 1.035 352 T CA 2.122 63.981 62.100 -0.401 0.000 1.151 352 T CB -0.224 68.538 68.868 -0.177 0.000 0.862 352 T HN 0.308 nan 8.240 nan 0.000 0.438 353 M N 1.331 120.750 119.600 -0.302 0.000 2.334 353 M HA 0.074 4.554 4.480 -0.000 0.000 0.266 353 M C 2.586 178.772 176.300 -0.190 0.000 1.082 353 M CA 1.281 56.464 55.300 -0.195 0.000 1.141 353 M CB -1.673 30.895 32.600 -0.053 0.000 1.380 353 M HN 0.461 nan 8.290 nan 0.000 0.440 354 T N -3.162 111.258 114.554 -0.224 0.000 3.037 354 T HA 0.200 4.550 4.350 -0.000 0.000 0.252 354 T C 1.643 176.147 174.700 -0.327 0.000 1.073 354 T CA 0.306 62.274 62.100 -0.220 0.000 1.091 354 T CB -0.030 68.749 68.868 -0.147 0.000 0.935 354 T HN 0.089 nan 8.240 nan 0.000 0.488 355 V N 1.024 120.653 119.914 -0.475 0.000 3.001 355 V HA 0.450 4.570 4.120 -0.000 0.000 0.228 355 V C 3.045 178.840 176.094 -0.499 0.000 1.204 355 V CA 0.588 62.581 62.300 -0.511 0.000 1.247 355 V CB -0.859 30.494 31.823 -0.783 0.000 1.093 355 V HN 0.459 nan 8.190 nan 0.000 0.504 356 A N 0.089 122.438 122.820 -0.784 0.000 1.948 356 A HA -0.207 4.112 4.320 -0.000 0.000 0.220 356 A C 2.001 179.408 177.584 -0.295 0.000 1.177 356 A CA 1.990 53.702 52.037 -0.542 0.000 0.636 356 A CB -0.588 18.064 19.000 -0.579 0.000 0.815 356 A HN 0.406 nan 8.150 nan 0.000 0.449 357 L N -0.522 120.522 121.223 -0.298 0.000 2.622 357 L HA 0.049 4.389 4.340 -0.000 0.000 0.233 357 L C 2.021 178.772 176.870 -0.199 0.000 1.156 357 L CA 1.076 55.788 54.840 -0.213 0.000 0.866 357 L CB -0.582 41.356 42.059 -0.203 0.000 0.980 357 L HN 0.318 nan 8.230 nan 0.000 0.448 358 R N -0.726 119.628 120.500 -0.243 0.000 2.300 358 R HA 0.402 4.741 4.340 -0.000 0.000 0.199 358 R C 0.465 176.691 176.300 -0.122 0.000 0.920 358 R CA 0.527 56.461 56.100 -0.276 0.000 1.046 358 R CB 0.244 30.173 30.300 -0.619 0.000 0.984 358 R HN 0.373 nan 8.270 nan 0.000 0.493 359 G N -0.399 108.370 108.800 -0.051 0.000 2.428 359 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.681 359 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.681 359 G C -0.374 174.584 174.900 0.097 0.000 1.340 359 G CA -0.570 44.554 45.100 0.040 0.000 0.915 359 G HN 0.112 nan 8.290 nan 0.000 0.645 360 Y N 0.507 120.824 120.300 0.028 0.000 2.097 360 Y HA -0.132 4.418 4.550 -0.000 0.000 0.282 360 Y C 2.502 178.444 175.900 0.070 0.000 1.152 360 Y CA 2.814 60.941 58.100 0.044 0.000 1.136 360 Y CB 0.093 38.578 38.460 0.043 0.000 0.975 360 Y HN 0.578 nan 8.280 nan 0.000 0.498 361 D N -0.892 119.610 120.400 0.170 0.000 2.097 361 D HA -0.242 4.398 4.640 -0.000 0.000 0.195 361 D C 1.950 178.266 176.300 0.027 0.000 0.989 361 D CA 1.693 55.750 54.000 0.095 0.000 0.827 361 D CB -0.900 39.989 40.800 0.149 0.000 0.966 361 D HN 0.497 nan 8.370 nan 0.000 0.456 362 Y N 1.671 121.952 120.300 -0.032 0.000 2.128 362 Y HA -0.264 4.286 4.550 -0.000 0.000 0.284 362 Y C 2.313 178.176 175.900 -0.063 0.000 1.154 362 Y CA 2.024 60.099 58.100 -0.041 0.000 1.149 362 Y CB -0.278 38.147 38.460 -0.058 0.000 0.976 362 Y HN -0.041 nan 8.280 nan 0.000 0.505 363 A N 0.179 123.013 122.820 0.023 0.000 1.883 363 A HA -0.249 4.071 4.320 -0.000 0.000 0.217 363 A C 2.137 179.622 177.584 -0.164 0.000 1.186 363 A CA 1.923 53.921 52.037 -0.064 0.000 0.624 363 A CB -0.727 18.200 19.000 -0.122 0.000 0.822 363 A HN 0.589 nan 8.150 nan 0.000 0.444 364 Q N -0.452 119.183 119.800 -0.275 0.000 2.020 364 Q HA -0.279 4.061 4.340 -0.000 0.000 0.202 364 Q C 2.330 178.281 176.000 -0.081 0.000 0.982 364 Q CA 2.139 57.809 55.803 -0.222 0.000 0.838 364 Q CB -0.519 28.128 28.738 -0.151 0.000 0.899 364 Q HN 0.992 nan 8.270 nan 0.000 0.423 365 Q N -0.267 119.480 119.800 -0.088 0.000 2.135 365 Q HA -0.222 4.118 4.340 -0.000 0.000 0.204 365 Q C 1.855 177.757 176.000 -0.163 0.000 0.981 365 Q CA 1.870 57.622 55.803 -0.086 0.000 0.856 365 Q CB -0.993 27.665 28.738 -0.134 0.000 0.902 365 Q HN 0.465 nan 8.270 nan 0.000 0.425 366 Y N 0.722 120.791 120.300 -0.385 0.000 2.163 366 Y HA -0.091 4.459 4.550 -0.000 0.000 0.288 366 Y C 1.765 177.468 175.900 -0.329 0.000 1.136 366 Y CA 1.618 59.499 58.100 -0.365 0.000 1.147 366 Y CB -0.088 38.168 38.460 -0.339 0.000 0.987 366 Y HN 0.135 nan 8.280 nan 0.000 0.509 367 L N -1.088 119.887 121.223 -0.414 0.000 2.046 367 L HA -0.260 4.080 4.340 -0.000 0.000 0.208 367 L C 2.174 178.646 176.870 -0.664 0.000 1.077 367 L CA 1.456 55.809 54.840 -0.812 0.000 0.747 367 L CB -0.748 40.352 42.059 -1.599 0.000 0.896 367 L HN 0.267 nan 8.230 nan 0.000 0.432 368 Y N -0.110 119.996 120.300 -0.323 0.000 2.200 368 Y HA -0.182 4.367 4.550 -0.000 0.000 0.290 368 Y C 2.753 178.509 175.900 -0.240 0.000 1.137 368 Y CA 1.146 59.154 58.100 -0.152 0.000 1.163 368 Y CB -0.375 38.042 38.460 -0.072 0.000 0.988 368 Y HN 0.003 nan 8.280 nan 0.000 0.518 369 R N -0.451 119.946 120.500 -0.171 0.000 2.120 369 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 369 R C 2.365 178.441 176.300 -0.373 0.000 1.123 369 R CA 1.479 57.435 56.100 -0.240 0.000 0.975 369 R CB -0.351 29.803 30.300 -0.244 0.000 0.866 369 R HN 0.403 nan 8.270 nan 0.000 0.446 370 M N 0.737 119.987 119.600 -0.584 0.000 2.086 370 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 370 M C 1.845 177.784 176.300 -0.601 0.000 1.067 370 M CA 1.761 56.620 55.300 -0.736 0.000 1.116 370 M CB -0.026 32.057 32.600 -0.861 0.000 1.348 370 M HN 0.159 nan 8.290 nan 0.000 0.407 371 L N -0.317 120.719 121.223 -0.313 0.000 2.083 371 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 371 L C 2.665 179.458 176.870 -0.128 0.000 1.083 371 L CA 1.351 56.109 54.840 -0.138 0.000 0.752 371 L CB -1.492 40.513 42.059 -0.091 0.000 0.899 371 L HN 0.505 nan 8.230 nan 0.000 0.433 372 G N -0.127 108.580 108.800 -0.155 0.000 2.421 372 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.216 372 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.216 372 G C 1.740 176.632 174.900 -0.014 0.000 1.171 372 G CA 0.476 45.530 45.100 -0.077 0.000 0.775 372 G HN 0.262 nan 8.290 nan 0.000 0.543 373 R N -0.729 119.717 120.500 -0.090 0.000 2.091 373 R HA -0.073 4.267 4.340 -0.000 0.000 0.238 373 R C 2.388 178.772 176.300 0.139 0.000 1.136 373 R CA 1.504 57.596 56.100 -0.012 0.000 0.959 373 R CB -0.552 29.680 30.300 -0.113 0.000 0.856 373 R HN 0.562 nan 8.270 nan 0.000 0.437 374 Y N 0.202 120.512 120.300 0.015 0.000 2.145 374 Y HA -0.235 4.315 4.550 -0.000 0.000 0.286 374 Y C 2.717 178.627 175.900 0.017 0.000 1.145 374 Y CA 0.752 58.859 58.100 0.011 0.000 1.148 374 Y CB -0.103 38.339 38.460 -0.030 0.000 0.981 374 Y HN 0.050 nan 8.280 nan 0.000 0.507 375 R N -0.690 119.912 120.500 0.170 0.000 2.091 375 R HA -0.245 4.095 4.340 -0.000 0.000 0.238 375 R C 2.153 178.511 176.300 0.097 0.000 1.136 375 R CA 2.027 58.183 56.100 0.093 0.000 0.959 375 R CB -0.700 29.642 30.300 0.069 0.000 0.856 375 R HN 0.430 nan 8.270 nan 0.000 0.437 376 Y N 1.493 121.809 120.300 0.028 0.000 2.114 376 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 376 Y C 2.790 178.714 175.900 0.041 0.000 1.143 376 Y CA 1.880 59.997 58.100 0.028 0.000 1.135 376 Y CB -0.108 38.372 38.460 0.034 0.000 0.980 376 Y HN 0.092 nan 8.280 nan 0.000 0.499 377 Q N 0.263 120.142 119.800 0.131 0.000 2.077 377 Q HA -0.271 4.069 4.340 -0.000 0.000 0.206 377 Q C 2.320 178.307 176.000 -0.021 0.000 0.989 377 Q CA 1.830 57.666 55.803 0.055 0.000 0.853 377 Q CB -0.425 28.413 28.738 0.165 0.000 0.907 377 Q HN 0.608 nan 8.270 nan 0.000 0.418 378 A N 0.723 123.547 122.820 0.008 0.000 1.908 378 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 378 A C 2.258 179.812 177.584 -0.051 0.000 1.181 378 A CA 1.793 53.819 52.037 -0.018 0.000 0.627 378 A CB -0.874 18.118 19.000 -0.014 0.000 0.818 378 A HN 0.573 nan 8.150 nan 0.000 0.445 379 A N -0.535 122.229 122.820 -0.094 0.000 2.015 379 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 379 A C 2.103 179.630 177.584 -0.095 0.000 1.163 379 A CA 1.120 53.113 52.037 -0.072 0.000 0.646 379 A CB -0.478 18.445 19.000 -0.128 0.000 0.806 379 A HN 0.480 nan 8.150 nan 0.000 0.448 380 L N 0.191 121.298 121.223 -0.194 0.000 1.955 380 L HA -0.251 4.089 4.340 -0.000 0.000 0.213 380 L C 3.003 179.826 176.870 -0.079 0.000 1.072 380 L CA 2.080 56.822 54.840 -0.164 0.000 0.755 380 L CB -0.663 41.286 42.059 -0.184 0.000 0.888 380 L HN 0.633 nan 8.230 nan 0.000 0.432 381 E N 0.535 120.696 120.200 -0.065 0.000 2.001 381 E HA -0.082 4.268 4.350 -0.000 0.000 0.193 381 E C 0.917 177.498 176.600 -0.031 0.000 0.994 381 E CA 1.407 57.777 56.400 -0.050 0.000 0.815 381 E CB -0.666 28.992 29.700 -0.070 0.000 0.770 381 E HN 0.590 nan 8.360 nan 0.000 0.453 382 N N 0.000 118.688 118.700 -0.021 0.000 1.763 382 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 382 N CA 0.000 nan 53.050 nan 0.000 0.885 382 N CB 0.000 nan 38.487 nan 0.000 1.341 382 N HN 0.000 nan 8.380 nan 0.000 0.667