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 3ik4_1_B DATA FIRST_RESID 0 DATA SEQUENCE SLPTTIQAIS AEAINLPLTE PFAIASGAQA VAANVLVKVQ LADGTLGLGE DATA SEQUENCE AAPFPAVSGE TQTGTSAAIE RLQSHLLGAD VRGWRKLAAM LDHAEHEAAA DATA SEQUENCE ARCGLEMAML DALTRHYHMP LHVFFGGVSK QLETDMTITA GDEVHAAASA DATA SEQUENCE KAILARGIKS IKVKTAGVDV AYDLARLRAI HQAAPTAPLI VDGNCGYDVE DATA SEQUENCE RALAFCAACK AESIPMVLFE QPLPREDWAG MAQVTAQSGF AVAADESARS DATA SEQUENCE AHDVLRIARE GTASVINIKL MKAGVAEGLK MIAIAQAAGL GLMIGGMVES DATA SEQUENCE ILAMSFSANL AAGNGGFDFI DLDTPLFIAE HPFIGGFAQT GGTLQLADVA DATA SEQUENCE GHGVNLEG 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.596 174.600 -0.007 0.000 1.055 0 S CA 0.000 58.197 58.200 -0.006 0.000 1.107 0 S CB 0.000 63.197 63.200 -0.005 0.000 0.593 1 L N 4.761 125.974 121.223 -0.016 0.000 2.670 1 L HA 0.718 5.062 4.340 0.007 0.000 0.251 1 L C -1.302 175.548 176.870 -0.033 0.000 1.548 1 L CA -1.561 53.267 54.840 -0.019 0.000 1.643 1 L CB 0.236 42.282 42.059 -0.021 0.000 2.174 1 L HN 0.395 nan 8.230 nan 0.000 0.585 2 P HA -0.025 nan 4.420 nan 0.000 0.221 2 P C 0.873 178.056 177.300 -0.194 0.000 1.155 2 P CA 1.163 64.218 63.100 -0.075 0.000 0.812 2 P CB -0.064 31.635 31.700 -0.002 0.000 0.801 3 T N -4.487 109.907 114.554 -0.267 0.000 3.122 3 T HA 0.116 4.471 4.350 0.007 0.000 0.250 3 T C 0.699 175.318 174.700 -0.136 0.000 1.067 3 T CA -0.108 61.804 62.100 -0.313 0.000 0.966 3 T CB -1.131 67.508 68.868 -0.382 0.000 1.002 3 T HN -0.131 nan 8.240 nan 0.000 0.542 4 T N 3.152 117.654 114.554 -0.086 0.000 2.870 4 T HA 0.336 4.690 4.350 0.007 0.000 0.300 4 T C 0.420 175.099 174.700 -0.034 0.000 0.989 4 T CA -0.283 61.792 62.100 -0.041 0.000 1.139 4 T CB 0.151 69.003 68.868 -0.026 0.000 0.920 4 T HN 0.357 nan 8.240 nan 0.000 0.537 5 I N 4.125 124.686 120.570 -0.014 0.000 2.578 5 I HA 0.001 4.175 4.170 0.007 0.000 0.286 5 I C 1.649 177.765 176.117 -0.002 0.000 1.126 5 I CA 0.153 61.450 61.300 -0.005 0.000 1.380 5 I CB 0.614 38.622 38.000 0.013 0.000 1.408 5 I HN 0.680 nan 8.210 nan 0.000 0.532 6 Q N 5.069 124.866 119.800 -0.005 0.000 2.304 6 Q HA 0.281 4.625 4.340 0.007 0.000 0.204 6 Q C 0.184 176.186 176.000 0.003 0.000 0.936 6 Q CA 0.457 56.258 55.803 -0.003 0.000 0.878 6 Q CB 0.867 29.601 28.738 -0.007 0.000 0.983 6 Q HN 0.792 nan 8.270 nan 0.000 0.516 7 A N 0.680 123.503 122.820 0.004 0.000 2.459 7 A HA 0.641 4.965 4.320 0.007 0.000 0.296 7 A C -1.265 176.327 177.584 0.012 0.000 1.039 7 A CA -0.558 51.485 52.037 0.009 0.000 0.698 7 A CB 1.054 20.058 19.000 0.007 0.000 1.261 7 A HN 0.156 nan 8.150 nan 0.000 0.405 8 I N 2.042 122.622 120.570 0.016 0.000 2.465 8 I HA 0.595 4.769 4.170 0.007 0.000 0.291 8 I C 0.414 176.542 176.117 0.019 0.000 1.014 8 I CA -0.361 60.951 61.300 0.020 0.000 1.093 8 I CB 2.385 40.400 38.000 0.025 0.000 1.267 8 I HN 0.729 nan 8.210 nan 0.000 0.431 9 S N 4.445 120.157 115.700 0.020 0.000 2.632 9 S HA 0.959 5.433 4.470 0.007 0.000 0.289 9 S C -0.922 173.691 174.600 0.022 0.000 1.115 9 S CA -0.758 57.454 58.200 0.020 0.000 0.889 9 S CB 2.313 65.524 63.200 0.019 0.000 1.116 9 S HN 0.815 nan 8.310 nan 0.000 0.486 10 A N 1.341 124.172 122.820 0.019 0.000 2.381 10 A HA 0.765 5.089 4.320 0.007 0.000 0.299 10 A C -0.704 176.891 177.584 0.018 0.000 1.049 10 A CA -0.720 51.329 52.037 0.020 0.000 0.715 10 A CB 1.055 20.064 19.000 0.015 0.000 1.222 10 A HN 1.033 nan 8.150 nan 0.000 0.428 11 E N 1.577 121.791 120.200 0.023 0.000 2.288 11 E HA 0.756 5.110 4.350 0.007 0.000 0.268 11 E C -0.314 176.297 176.600 0.017 0.000 0.885 11 E CA -0.861 55.548 56.400 0.016 0.000 0.767 11 E CB 2.023 31.730 29.700 0.012 0.000 1.220 11 E HN 0.869 nan 8.360 nan 0.000 0.427 12 A N 3.197 126.021 122.820 0.008 0.000 2.366 12 A HA 0.512 4.837 4.320 0.007 0.000 0.272 12 A C 0.070 177.655 177.584 0.001 0.000 1.135 12 A CA -0.722 51.320 52.037 0.007 0.000 0.804 12 A CB -0.358 18.643 19.000 0.002 0.000 1.064 12 A HN 0.665 nan 8.150 nan 0.000 0.499 13 I N 0.551 121.128 120.570 0.011 0.000 2.420 13 I HA 0.395 4.569 4.170 0.007 0.000 0.282 13 I C -0.891 175.231 176.117 0.008 0.000 1.019 13 I CA -0.902 60.396 61.300 -0.004 0.000 1.130 13 I CB 1.552 39.549 38.000 -0.005 0.000 1.262 13 I HN 0.317 nan 8.210 nan 0.000 0.454 14 N N 7.784 126.482 118.700 -0.003 0.000 2.420 14 N HA 0.458 5.202 4.740 0.007 0.000 0.249 14 N C -0.941 174.576 175.510 0.011 0.000 1.033 14 N CA -0.181 52.874 53.050 0.008 0.000 0.944 14 N CB 2.103 40.593 38.487 0.004 0.000 1.113 14 N HN 0.638 nan 8.380 nan 0.000 0.502 15 L N 4.343 125.584 121.223 0.028 0.000 2.295 15 L HA 0.394 4.738 4.340 0.007 0.000 0.281 15 L C -2.078 174.819 176.870 0.046 0.000 1.018 15 L CA -1.883 52.980 54.840 0.040 0.000 0.841 15 L CB 1.562 43.655 42.059 0.057 0.000 1.218 15 L HN 0.181 nan 8.230 nan 0.000 0.424 16 P HA 0.105 nan 4.420 nan 0.000 0.268 16 P C -0.606 176.737 177.300 0.072 0.000 1.204 16 P CA 0.064 63.196 63.100 0.053 0.000 0.768 16 P CB 0.908 32.633 31.700 0.042 0.000 0.842 17 L N 2.393 123.668 121.223 0.087 0.000 2.399 17 L HA 0.279 4.623 4.340 0.007 0.000 0.265 17 L C 2.273 179.223 176.870 0.134 0.000 1.089 17 L CA -0.436 54.477 54.840 0.122 0.000 0.802 17 L CB 0.684 42.827 42.059 0.141 0.000 1.180 17 L HN 0.393 nan 8.230 nan 0.000 0.454 18 T N -1.899 112.758 114.554 0.172 0.000 2.857 18 T HA -0.047 4.307 4.350 0.007 0.000 0.266 18 T C 0.377 175.172 174.700 0.158 0.000 1.048 18 T CA 0.759 62.944 62.100 0.142 0.000 1.139 18 T CB -0.157 68.779 68.868 0.115 0.000 0.874 18 T HN 0.752 nan 8.240 nan 0.000 0.455 19 E N 0.622 120.960 120.200 0.231 0.000 2.433 19 E HA 0.531 4.885 4.350 0.007 0.000 0.278 19 E C -3.231 173.489 176.600 0.199 0.000 0.976 19 E CA -3.028 53.492 56.400 0.200 0.000 0.793 19 E CB 0.823 30.657 29.700 0.224 0.000 1.311 19 E HN -0.059 nan 8.360 nan 0.000 0.460 20 P HA -0.028 nan 4.420 nan 0.000 0.261 20 P C -1.264 176.096 177.300 0.101 0.000 1.183 20 P CA 0.354 63.519 63.100 0.108 0.000 0.761 20 P CB 0.033 31.765 31.700 0.053 0.000 0.785 21 F N 3.195 123.109 119.950 -0.059 0.000 2.361 21 F HA 0.503 5.034 4.527 0.007 0.000 0.364 21 F C 0.117 175.814 175.800 -0.172 0.000 1.117 21 F CA -0.635 57.263 58.000 -0.169 0.000 1.071 21 F CB 1.058 39.924 39.000 -0.224 0.000 1.188 21 F HN 0.355 nan 8.300 nan 0.000 0.464 22 A N 7.608 130.144 122.820 -0.473 0.000 2.362 22 A HA 0.624 4.948 4.320 0.007 0.000 0.276 22 A C -0.827 176.495 177.584 -0.437 0.000 1.153 22 A CA -0.305 51.516 52.037 -0.360 0.000 0.813 22 A CB 0.170 18.986 19.000 -0.308 0.000 1.081 22 A HN 0.854 nan 8.150 nan 0.000 0.507 23 I N 1.671 122.017 120.570 -0.372 0.000 2.752 23 I HA 0.558 4.732 4.170 0.007 0.000 0.295 23 I C 0.581 176.437 176.117 -0.434 0.000 1.219 23 I CA 0.572 61.641 61.300 -0.386 0.000 1.030 23 I CB 1.887 39.688 38.000 -0.333 0.000 1.259 23 I HN 1.481 nan 8.210 nan 0.000 0.423 24 A N 4.419 127.089 122.820 -0.250 0.000 5.308 24 A HA -0.350 3.974 4.320 0.007 0.000 0.321 24 A C 1.179 178.720 177.584 -0.073 0.000 1.849 24 A CA 1.804 53.761 52.037 -0.132 0.000 0.713 24 A CB -2.196 16.766 19.000 -0.064 0.000 1.360 24 A HN 1.640 nan 8.150 nan 0.000 0.384 25 S N 0.145 115.867 115.700 0.037 0.000 2.605 25 S HA 0.520 4.994 4.470 0.007 0.000 0.217 25 S C 0.907 175.574 174.600 0.111 0.000 0.958 25 S CA 1.138 59.374 58.200 0.061 0.000 0.919 25 S CB -0.382 62.867 63.200 0.081 0.000 0.780 25 S HN 2.369 nan 8.310 nan 0.000 0.507 26 G N -0.042 108.838 108.800 0.133 0.000 2.846 26 G HA2 0.743 4.707 3.960 0.007 0.000 0.299 26 G HA3 0.743 4.707 3.960 0.007 0.000 0.299 26 G C -1.682 173.276 174.900 0.098 0.000 1.242 26 G CA -0.351 44.891 45.100 0.237 0.000 0.800 26 G HN 0.808 nan 8.290 nan 0.000 0.538 27 A N -1.010 121.958 122.820 0.247 0.000 2.572 27 A HA 0.865 5.189 4.320 0.007 0.000 0.295 27 A C -1.092 176.649 177.584 0.262 0.000 1.072 27 A CA -0.367 51.746 52.037 0.126 0.000 0.691 27 A CB 2.112 21.145 19.000 0.054 0.000 1.291 27 A HN 0.706 nan 8.150 nan 0.000 0.404 28 Q N 0.065 119.987 119.800 0.203 0.000 2.315 28 Q HA 0.625 4.969 4.340 0.007 0.000 0.273 28 Q C 0.003 176.097 176.000 0.157 0.000 1.053 28 Q CA 0.023 55.965 55.803 0.231 0.000 0.817 28 Q CB 2.174 31.098 28.738 0.309 0.000 1.326 28 Q HN 1.131 nan 8.270 nan 0.000 0.423 29 A N 2.541 125.435 122.820 0.123 0.000 2.140 29 A HA 0.409 4.733 4.320 0.007 0.000 0.209 29 A C -0.245 177.394 177.584 0.092 0.000 1.181 29 A CA 0.346 52.443 52.037 0.101 0.000 0.824 29 A CB 0.921 19.965 19.000 0.075 0.000 0.879 29 A HN 0.351 nan 8.150 nan 0.000 0.480 30 V N 0.026 119.992 119.914 0.087 0.000 2.733 30 V HA 0.577 4.701 4.120 0.007 0.000 0.306 30 V C -0.267 175.870 176.094 0.072 0.000 1.084 30 V CA -0.729 61.612 62.300 0.069 0.000 0.905 30 V CB 1.506 33.359 31.823 0.050 0.000 1.010 30 V HN 0.411 nan 8.190 nan 0.000 0.424 31 A N 3.713 126.567 122.820 0.058 0.000 2.410 31 A HA 0.683 5.007 4.320 0.007 0.000 0.292 31 A C 0.678 178.291 177.584 0.048 0.000 1.232 31 A CA 0.299 52.369 52.037 0.055 0.000 0.893 31 A CB 0.106 19.121 19.000 0.025 0.000 1.131 31 A HN 1.436 nan 8.150 nan 0.000 0.530 32 A N 4.625 127.474 122.820 0.048 0.000 2.807 32 A HA 0.496 4.820 4.320 0.007 0.000 0.307 32 A C 0.073 177.675 177.584 0.029 0.000 1.532 32 A CA -0.542 51.513 52.037 0.030 0.000 1.215 32 A CB -0.485 18.525 19.000 0.016 0.000 1.127 32 A HN 0.768 nan 8.150 nan 0.000 0.543 33 N N 0.046 118.766 118.700 0.034 0.000 2.525 33 N HA 0.662 5.406 4.740 0.007 0.000 0.288 33 N C -0.873 174.660 175.510 0.038 0.000 1.242 33 N CA -0.544 52.529 53.050 0.039 0.000 0.905 33 N CB 1.726 40.245 38.487 0.053 0.000 1.258 33 N HN 0.186 nan 8.380 nan 0.000 0.551 34 V N 1.269 121.206 119.914 0.038 0.000 2.604 34 V HA 0.398 4.522 4.120 0.007 0.000 0.305 34 V C -0.658 175.472 176.094 0.060 0.000 1.043 34 V CA -0.861 61.461 62.300 0.038 0.000 0.888 34 V CB 1.815 33.649 31.823 0.019 0.000 0.995 34 V HN 0.442 nan 8.190 nan 0.000 0.429 35 L N 6.456 127.727 121.223 0.079 0.000 2.272 35 L HA 0.661 5.005 4.340 0.007 0.000 0.289 35 L C -0.448 176.463 176.870 0.069 0.000 1.032 35 L CA 0.192 55.100 54.840 0.114 0.000 0.810 35 L CB 1.514 43.680 42.059 0.178 0.000 1.205 35 L HN 0.445 nan 8.230 nan 0.000 0.422 36 V N 5.359 125.304 119.914 0.051 0.000 2.394 36 V HA 0.473 4.597 4.120 0.007 0.000 0.282 36 V C -0.042 176.078 176.094 0.043 0.000 1.031 36 V CA -0.697 61.622 62.300 0.033 0.000 0.881 36 V CB 1.189 33.017 31.823 0.008 0.000 0.982 36 V HN 0.701 nan 8.190 nan 0.000 0.451 37 K N 3.644 124.068 120.400 0.039 0.000 2.244 37 K HA 0.731 5.056 4.320 0.007 0.000 0.260 37 K C -0.825 175.790 176.600 0.024 0.000 0.951 37 K CA -0.668 55.641 56.287 0.038 0.000 0.826 37 K CB 2.333 34.857 32.500 0.039 0.000 1.108 37 K HN 0.624 nan 8.250 nan 0.000 0.433 38 V N -0.251 119.674 119.914 0.018 0.000 2.555 38 V HA 0.480 4.605 4.120 0.007 0.000 0.302 38 V C -0.856 175.239 176.094 0.001 0.000 1.038 38 V CA -0.744 61.562 62.300 0.010 0.000 0.887 38 V CB 1.792 33.621 31.823 0.010 0.000 0.991 38 V HN 0.638 nan 8.190 nan 0.000 0.434 39 Q N 3.439 123.238 119.800 -0.001 0.000 2.325 39 Q HA 0.538 4.883 4.340 0.007 0.000 0.270 39 Q C -1.413 174.577 176.000 -0.017 0.000 1.020 39 Q CA -0.665 55.133 55.803 -0.008 0.000 0.785 39 Q CB 2.324 31.061 28.738 -0.002 0.000 1.259 39 Q HN 0.737 nan 8.270 nan 0.000 0.452 40 L N 1.003 122.208 121.223 -0.030 0.000 2.421 40 L HA 0.346 4.690 4.340 0.007 0.000 0.263 40 L C 1.395 178.244 176.870 -0.036 0.000 1.122 40 L CA 0.386 55.197 54.840 -0.047 0.000 0.804 40 L CB 0.574 42.584 42.059 -0.081 0.000 1.150 40 L HN 0.805 nan 8.230 nan 0.000 0.457 41 A N 0.978 123.774 122.820 -0.040 0.000 2.019 41 A HA -0.153 4.171 4.320 0.007 0.000 0.219 41 A C 1.363 178.937 177.584 -0.017 0.000 1.164 41 A CA 1.502 53.524 52.037 -0.025 0.000 0.644 41 A CB -0.688 18.296 19.000 -0.026 0.000 0.805 41 A HN 0.861 nan 8.150 nan 0.000 0.449 42 D N -1.656 118.733 120.400 -0.019 0.000 2.336 42 D HA 0.213 4.858 4.640 0.007 0.000 0.229 42 D C 1.121 177.424 176.300 0.004 0.000 1.061 42 D CA 0.945 54.948 54.000 0.006 0.000 0.875 42 D CB -0.617 40.208 40.800 0.042 0.000 0.904 42 D HN 0.783 nan 8.370 nan 0.000 0.525 43 G N -0.092 108.704 108.800 -0.007 0.000 2.176 43 G HA2 -0.256 3.708 3.960 0.007 0.000 0.253 43 G HA3 -0.256 3.708 3.960 0.007 0.000 0.253 43 G C 0.343 175.233 174.900 -0.016 0.000 0.979 43 G CA 0.277 45.372 45.100 -0.008 0.000 0.641 43 G HN 0.445 nan 8.290 nan 0.000 0.530 44 T N 0.975 115.515 114.554 -0.022 0.000 2.870 44 T HA 0.469 4.823 4.350 0.007 0.000 0.300 44 T C 0.038 174.716 174.700 -0.037 0.000 0.989 44 T CA 0.280 62.357 62.100 -0.038 0.000 1.139 44 T CB 1.967 70.811 68.868 -0.040 0.000 0.920 44 T HN 0.687 nan 8.240 nan 0.000 0.537 45 L N 3.674 124.873 121.223 -0.039 0.000 2.305 45 L HA 0.723 5.067 4.340 0.007 0.000 0.284 45 L C 0.202 177.050 176.870 -0.036 0.000 1.013 45 L CA -0.105 54.721 54.840 -0.024 0.000 0.819 45 L CB 1.044 43.099 42.059 -0.005 0.000 1.227 45 L HN 0.697 nan 8.230 nan 0.000 0.417 46 G N 5.722 114.507 108.800 -0.025 0.000 2.371 46 G HA2 0.622 4.586 3.960 0.007 0.000 0.326 46 G HA3 0.622 4.586 3.960 0.007 0.000 0.326 46 G C -1.325 173.592 174.900 0.028 0.000 1.127 46 G CA -0.606 44.478 45.100 -0.026 0.000 0.885 46 G HN 0.599 nan 8.290 nan 0.000 0.477 47 L N 1.439 122.713 121.223 0.084 0.000 2.362 47 L HA 0.761 5.105 4.340 0.007 0.000 0.275 47 L C 0.484 177.441 176.870 0.146 0.000 0.998 47 L CA -0.795 54.123 54.840 0.130 0.000 0.820 47 L CB 2.360 44.513 42.059 0.157 0.000 1.270 47 L HN 0.680 nan 8.230 nan 0.000 0.415 48 G N 1.239 110.056 108.800 0.028 0.000 2.620 48 G HA2 0.543 4.507 3.960 0.007 0.000 0.301 48 G HA3 0.543 4.507 3.960 0.007 0.000 0.301 48 G C -1.855 172.995 174.900 -0.083 0.000 1.347 48 G CA -0.291 44.772 45.100 -0.061 0.000 0.971 48 G HN 0.541 nan 8.290 nan 0.000 0.488 49 E N 0.437 120.552 120.200 -0.142 0.000 2.187 49 E HA 0.613 4.967 4.350 0.007 0.000 0.268 49 E C -0.477 176.077 176.600 -0.076 0.000 0.896 49 E CA -0.890 55.452 56.400 -0.096 0.000 0.766 49 E CB 1.714 31.326 29.700 -0.146 0.000 1.142 49 E HN 0.623 nan 8.360 nan 0.000 0.408 50 A N 3.160 125.961 122.820 -0.031 0.000 2.271 50 A HA 0.680 5.004 4.320 0.007 0.000 0.317 50 A C -0.482 177.100 177.584 -0.004 0.000 1.245 50 A CA -0.317 51.706 52.037 -0.023 0.000 0.857 50 A CB 1.206 20.198 19.000 -0.013 0.000 1.175 50 A HN 0.560 nan 8.150 nan 0.000 0.512 51 A N 4.874 127.692 122.820 -0.004 0.000 2.938 51 A HA 0.663 4.987 4.320 0.007 0.000 0.344 51 A C -2.748 174.860 177.584 0.041 0.000 1.142 51 A CA -1.406 50.641 52.037 0.016 0.000 0.841 51 A CB 0.010 19.012 19.000 0.003 0.000 1.083 51 A HN 0.556 nan 8.150 nan 0.000 0.479 52 P HA 0.266 nan 4.420 nan 0.000 0.281 52 P C -0.823 176.541 177.300 0.107 0.000 1.252 52 P CA -0.084 63.047 63.100 0.052 0.000 0.778 52 P CB 0.679 32.385 31.700 0.010 0.000 0.895 53 F N 6.467 126.412 119.950 -0.009 0.000 2.385 53 F HA 0.388 4.919 4.527 0.007 0.000 0.360 53 F C -1.802 173.996 175.800 -0.004 0.000 1.122 53 F CA -2.936 55.063 58.000 -0.002 0.000 1.090 53 F CB 1.668 40.672 39.000 0.006 0.000 1.150 53 F HN 0.185 nan 8.300 nan 0.000 0.472 54 P HA 0.091 nan 4.420 nan 0.000 0.228 54 P C -0.278 176.611 177.300 -0.684 0.000 1.748 54 P CA 0.158 62.930 63.100 -0.548 0.000 0.909 54 P CB -0.418 31.058 31.700 -0.375 0.000 1.882 55 A N 0.906 123.333 122.820 -0.655 0.000 2.475 55 A HA 0.050 4.374 4.320 0.007 0.000 0.239 55 A C 1.741 179.249 177.584 -0.127 0.000 1.087 55 A CA 0.098 51.997 52.037 -0.230 0.000 0.779 55 A CB -0.001 19.073 19.000 0.124 0.000 1.036 55 A HN 0.221 nan 8.150 nan 0.000 0.506 56 V N 1.121 120.999 119.914 -0.059 0.000 2.282 56 V HA -0.157 3.968 4.120 0.007 0.000 0.249 56 V C 1.558 177.631 176.094 -0.034 0.000 1.057 56 V CA 2.905 65.177 62.300 -0.046 0.000 1.032 56 V CB -0.616 31.192 31.823 -0.026 0.000 0.645 56 V HN 1.374 nan 8.190 nan 0.000 0.447 57 S N -0.383 115.309 115.700 -0.014 0.000 2.560 57 S HA 0.687 5.161 4.470 0.007 0.000 0.227 57 S C 0.258 174.857 174.600 -0.001 0.000 1.280 57 S CA -0.050 58.146 58.200 -0.007 0.000 1.260 57 S CB 0.083 63.286 63.200 0.005 0.000 1.002 57 S HN 0.942 nan 8.310 nan 0.000 0.509 58 G N 0.815 109.602 108.800 -0.023 0.000 3.211 58 G HA2 0.703 4.667 3.960 0.007 0.000 0.167 58 G HA3 0.703 4.667 3.960 0.007 0.000 0.167 58 G C -1.180 173.698 174.900 -0.037 0.000 1.212 58 G CA -0.883 44.208 45.100 -0.016 0.000 0.928 58 G HN 0.465 nan 8.290 nan 0.000 0.607 59 E N -0.521 119.651 120.200 -0.046 0.000 2.293 59 E HA 0.500 4.854 4.350 0.007 0.000 0.270 59 E C -0.668 175.891 176.600 -0.068 0.000 0.879 59 E CA -0.765 55.609 56.400 -0.044 0.000 0.756 59 E CB 2.313 32.001 29.700 -0.020 0.000 1.208 59 E HN 0.600 nan 8.360 nan 0.000 0.428 60 T N -1.740 112.779 114.554 -0.058 0.000 2.948 60 T HA 0.150 4.504 4.350 0.007 0.000 0.285 60 T C 0.924 175.603 174.700 -0.035 0.000 1.019 60 T CA -0.596 61.468 62.100 -0.061 0.000 1.013 60 T CB 1.805 70.637 68.868 -0.060 0.000 1.117 60 T HN 0.514 nan 8.240 nan 0.000 0.533 61 Q N -0.023 119.760 119.800 -0.029 0.000 2.084 61 Q HA -0.113 4.232 4.340 0.007 0.000 0.202 61 Q C 2.012 178.004 176.000 -0.013 0.000 0.978 61 Q CA 1.979 57.773 55.803 -0.014 0.000 0.844 61 Q CB -0.530 28.203 28.738 -0.009 0.000 0.898 61 Q HN 0.888 nan 8.270 nan 0.000 0.426 62 T N -0.550 113.993 114.554 -0.018 0.000 2.737 62 T HA -0.086 4.268 4.350 0.007 0.000 0.265 62 T C 1.566 176.257 174.700 -0.015 0.000 1.038 62 T CA 1.182 63.274 62.100 -0.015 0.000 1.144 62 T CB -0.544 68.314 68.868 -0.017 0.000 0.866 62 T HN 0.566 nan 8.240 nan 0.000 0.434 63 G N 0.811 109.599 108.800 -0.020 0.000 2.432 63 G HA2 -0.200 3.764 3.960 0.007 0.000 0.219 63 G HA3 -0.200 3.764 3.960 0.007 0.000 0.219 63 G C 1.678 176.568 174.900 -0.017 0.000 1.135 63 G CA 1.425 46.513 45.100 -0.019 0.000 0.767 63 G HN 0.435 nan 8.290 nan 0.000 0.550 64 T N 1.022 115.566 114.554 -0.016 0.000 2.701 64 T HA -0.098 4.256 4.350 0.007 0.000 0.263 64 T C 2.829 177.524 174.700 -0.009 0.000 1.040 64 T CA 1.524 63.616 62.100 -0.014 0.000 1.147 64 T CB -0.357 68.504 68.868 -0.011 0.000 0.865 64 T HN 0.252 nan 8.240 nan 0.000 0.426 65 S N 1.209 116.906 115.700 -0.005 0.000 2.370 65 S HA -0.089 4.385 4.470 0.007 0.000 0.226 65 S C 2.527 177.127 174.600 -0.001 0.000 1.033 65 S CA 1.053 59.252 58.200 -0.001 0.000 1.011 65 S CB -0.579 62.621 63.200 0.000 0.000 0.852 65 S HN 0.576 nan 8.310 nan 0.000 0.457 66 A N 1.353 124.171 122.820 -0.004 0.000 1.902 66 A HA 0.062 4.387 4.320 0.007 0.000 0.217 66 A C 2.334 179.916 177.584 -0.002 0.000 1.181 66 A CA 1.779 53.815 52.037 -0.002 0.000 0.623 66 A CB -1.017 17.980 19.000 -0.005 0.000 0.818 66 A HN 0.532 nan 8.150 nan 0.000 0.443 67 A N -0.189 122.626 122.820 -0.008 0.000 1.930 67 A HA -0.024 4.300 4.320 0.007 0.000 0.217 67 A C 2.092 179.669 177.584 -0.011 0.000 1.175 67 A CA 1.387 53.416 52.037 -0.014 0.000 0.627 67 A CB -0.558 18.429 19.000 -0.021 0.000 0.815 67 A HN 0.498 nan 8.150 nan 0.000 0.443 68 I N -0.339 120.228 120.570 -0.005 0.000 2.286 68 I HA -0.206 3.969 4.170 0.007 0.000 0.248 68 I C 2.372 178.497 176.117 0.013 0.000 1.115 68 I CA 1.120 62.421 61.300 0.002 0.000 1.392 68 I CB -0.327 37.676 38.000 0.005 0.000 1.065 68 I HN 0.281 nan 8.210 nan 0.000 0.418 69 E N 0.970 121.179 120.200 0.014 0.000 2.110 69 E HA -0.183 4.171 4.350 0.007 0.000 0.193 69 E C 2.286 178.907 176.600 0.034 0.000 0.988 69 E CA 1.116 57.529 56.400 0.022 0.000 0.804 69 E CB -0.216 29.494 29.700 0.016 0.000 0.745 69 E HN 0.511 nan 8.360 nan 0.000 0.458 70 R N 0.159 120.676 120.500 0.029 0.000 2.092 70 R HA 0.017 4.361 4.340 0.007 0.000 0.231 70 R C 2.510 178.857 176.300 0.078 0.000 1.119 70 R CA 0.703 56.830 56.100 0.045 0.000 0.970 70 R CB -0.253 30.059 30.300 0.020 0.000 0.864 70 R HN 0.158 nan 8.270 nan 0.000 0.440 71 L N 0.504 121.744 121.223 0.028 0.000 2.395 71 L HA -0.065 4.279 4.340 0.007 0.000 0.218 71 L C 2.562 179.498 176.870 0.109 0.000 1.130 71 L CA 0.588 55.434 54.840 0.009 0.000 0.826 71 L CB -0.244 41.786 42.059 -0.048 0.000 0.941 71 L HN 0.233 nan 8.230 nan 0.000 0.451 72 Q N 0.331 120.185 119.800 0.090 0.000 2.135 72 Q HA -0.230 4.114 4.340 0.007 0.000 0.204 72 Q C 2.363 178.419 176.000 0.094 0.000 0.981 72 Q CA 2.153 58.003 55.803 0.078 0.000 0.856 72 Q CB 0.048 28.817 28.738 0.051 0.000 0.902 72 Q HN 0.571 nan 8.270 nan 0.000 0.425 73 S N -0.933 114.834 115.700 0.112 0.000 2.423 73 S HA -0.171 4.303 4.470 0.007 0.000 0.231 73 S C 1.550 176.175 174.600 0.042 0.000 1.014 73 S CA 0.997 59.234 58.200 0.062 0.000 0.965 73 S CB -0.551 62.667 63.200 0.031 0.000 0.785 73 S HN 0.527 nan 8.310 nan 0.000 0.495 74 H N 0.655 119.741 119.070 0.026 0.000 2.495 74 H HA 0.206 4.766 4.556 0.007 0.000 0.287 74 H C 1.662 177.009 175.328 0.032 0.000 1.033 74 H CA 1.373 57.440 56.048 0.032 0.000 1.307 74 H CB 0.119 29.906 29.762 0.042 0.000 1.401 74 H HN 0.422 nan 8.280 nan 0.000 0.555 75 L N 0.189 121.500 121.223 0.146 0.000 2.500 75 L HA 0.150 4.494 4.340 0.007 0.000 0.219 75 L C 0.628 177.533 176.870 0.058 0.000 1.057 75 L CA -0.010 54.887 54.840 0.095 0.000 0.854 75 L CB 0.486 42.596 42.059 0.085 0.000 1.078 75 L HN 0.020 nan 8.230 nan 0.000 0.480 76 L N 1.067 122.318 121.223 0.048 0.000 2.540 76 L HA 0.055 4.400 4.340 0.007 0.000 0.276 76 L C 1.382 178.264 176.870 0.020 0.000 1.212 76 L CA 1.032 55.889 54.840 0.028 0.000 0.893 76 L CB 0.310 42.383 42.059 0.023 0.000 1.138 76 L HN 0.454 nan 8.230 nan 0.000 0.491 77 G N 2.265 111.073 108.800 0.013 0.000 2.284 77 G HA2 -0.293 3.672 3.960 0.007 0.000 0.247 77 G HA3 -0.293 3.672 3.960 0.007 0.000 0.247 77 G C 0.444 175.351 174.900 0.011 0.000 1.012 77 G CA 0.063 45.168 45.100 0.008 0.000 0.618 77 G HN 0.950 nan 8.290 nan 0.000 0.521 78 A N 0.181 123.013 122.820 0.021 0.000 2.351 78 A HA 0.524 4.848 4.320 0.007 0.000 0.257 78 A C 0.227 177.826 177.584 0.026 0.000 1.087 78 A CA 0.496 52.550 52.037 0.027 0.000 0.798 78 A CB 0.368 19.394 19.000 0.043 0.000 1.033 78 A HN 0.347 nan 8.150 nan 0.000 0.488 79 D N 1.373 121.791 120.400 0.029 0.000 2.343 79 D HA 0.102 4.746 4.640 0.007 0.000 0.255 79 D C 0.955 177.290 176.300 0.057 0.000 1.187 79 D CA 0.100 54.118 54.000 0.029 0.000 0.875 79 D CB 1.394 42.215 40.800 0.035 0.000 1.136 79 D HN 0.135 nan 8.370 nan 0.000 0.469 80 V N 5.233 125.173 119.914 0.044 0.000 3.141 80 V HA -0.127 3.997 4.120 0.007 0.000 0.265 80 V C 2.209 178.406 176.094 0.173 0.000 1.126 80 V CA 1.382 63.732 62.300 0.084 0.000 1.141 80 V CB -0.303 31.535 31.823 0.025 0.000 0.743 80 V HN 0.503 nan 8.190 nan 0.000 0.492 81 R N 0.356 120.955 120.500 0.166 0.000 2.120 81 R HA -0.051 4.293 4.340 0.007 0.000 0.234 81 R C 1.836 178.321 176.300 0.309 0.000 1.123 81 R CA 1.200 57.463 56.100 0.272 0.000 0.975 81 R CB -0.491 29.937 30.300 0.215 0.000 0.866 81 R HN 0.553 nan 8.270 nan 0.000 0.446 82 G N 0.739 109.649 108.800 0.183 0.000 3.452 82 G HA2 -0.075 3.889 3.960 0.007 0.000 0.258 82 G HA3 -0.075 3.889 3.960 0.007 0.000 0.258 82 G C 0.812 175.765 174.900 0.088 0.000 1.305 82 G CA -0.507 44.646 45.100 0.087 0.000 1.514 82 G HN 0.473 nan 8.290 nan 0.000 0.593 83 W N 0.337 121.686 121.300 0.081 0.000 2.321 83 W HA -0.181 4.482 4.660 0.005 0.000 0.306 83 W C 1.547 178.126 176.519 0.101 0.000 1.217 83 W CA 0.651 58.049 57.345 0.089 0.000 1.257 83 W CB -0.648 28.872 29.460 0.099 0.000 1.145 83 W HN 0.316 nan 8.180 nan 0.000 0.509 84 R N 0.854 121.051 120.500 -0.505 0.000 2.075 84 R HA -0.099 4.245 4.340 0.007 0.000 0.232 84 R C 2.530 178.740 176.300 -0.151 0.000 1.126 84 R CA 1.556 57.400 56.100 -0.427 0.000 0.963 84 R CB -0.445 29.436 30.300 -0.698 0.000 0.858 84 R HN 0.136 nan 8.270 nan 0.000 0.435 85 K N 0.972 121.297 120.400 -0.125 0.000 2.026 85 K HA -0.128 4.197 4.320 0.007 0.000 0.208 85 K C 2.084 178.693 176.600 0.016 0.000 1.048 85 K CA 1.217 57.477 56.287 -0.046 0.000 0.929 85 K CB -0.045 32.434 32.500 -0.034 0.000 0.713 85 K HN 0.128 nan 8.250 nan 0.000 0.439 86 L N 0.316 121.570 121.223 0.051 0.000 2.056 86 L HA -0.139 4.205 4.340 0.007 0.000 0.207 86 L C 2.636 179.564 176.870 0.097 0.000 1.078 86 L CA 1.129 56.023 54.840 0.089 0.000 0.749 86 L CB -0.582 41.547 42.059 0.117 0.000 0.901 86 L HN 0.215 nan 8.230 nan 0.000 0.433 87 A N 0.274 123.163 122.820 0.115 0.000 1.917 87 A HA -0.241 4.083 4.320 0.007 0.000 0.219 87 A C 2.493 180.133 177.584 0.093 0.000 1.182 87 A CA 2.065 54.176 52.037 0.123 0.000 0.633 87 A CB -0.696 18.407 19.000 0.172 0.000 0.819 87 A HN 0.430 nan 8.150 nan 0.000 0.448 88 A N -1.160 121.701 122.820 0.069 0.000 1.968 88 A HA 0.050 4.374 4.320 0.007 0.000 0.217 88 A C 2.209 179.846 177.584 0.088 0.000 1.169 88 A CA 1.465 53.541 52.037 0.066 0.000 0.638 88 A CB -0.443 18.572 19.000 0.025 0.000 0.812 88 A HN 0.521 nan 8.150 nan 0.000 0.446 89 M N -0.436 119.214 119.600 0.084 0.000 2.117 89 M HA -0.097 4.387 4.480 0.007 0.000 0.262 89 M C 2.041 178.393 176.300 0.087 0.000 1.065 89 M CA 1.363 56.733 55.300 0.116 0.000 1.114 89 M CB -0.468 32.212 32.600 0.133 0.000 1.361 89 M HN 0.381 nan 8.290 nan 0.000 0.408 90 L N -0.385 120.866 121.223 0.047 0.000 2.017 90 L HA -0.246 4.098 4.340 0.007 0.000 0.208 90 L C 2.169 179.050 176.870 0.019 0.000 1.073 90 L CA 1.302 56.137 54.840 -0.009 0.000 0.745 90 L CB -0.873 41.195 42.059 0.015 0.000 0.894 90 L HN 0.306 nan 8.230 nan 0.000 0.432 91 D N -0.725 119.724 120.400 0.082 0.000 2.144 91 D HA -0.241 4.404 4.640 0.007 0.000 0.200 91 D C 2.083 178.476 176.300 0.155 0.000 0.978 91 D CA 1.209 55.290 54.000 0.135 0.000 0.833 91 D CB 0.094 40.993 40.800 0.165 0.000 0.961 91 D HN 0.362 nan 8.370 nan 0.000 0.470 92 H N -0.496 118.598 119.070 0.040 0.000 2.389 92 H HA 0.135 4.695 4.556 0.008 0.000 0.299 92 H C 1.712 177.047 175.328 0.012 0.000 1.081 92 H CA 2.076 58.137 56.048 0.022 0.000 1.345 92 H CB -0.096 29.678 29.762 0.020 0.000 1.393 92 H HN 0.112 nan 8.280 nan 0.000 0.520 93 A N -0.437 122.323 122.820 -0.100 0.000 1.935 93 A HA 0.072 4.397 4.320 0.007 0.000 0.214 93 A C 1.098 178.602 177.584 -0.134 0.000 1.178 93 A CA 1.274 53.199 52.037 -0.187 0.000 0.640 93 A CB 0.229 19.053 19.000 -0.294 0.000 0.825 93 A HN 0.393 nan 8.150 nan 0.000 0.447 94 E N -1.868 118.288 120.200 -0.073 0.000 4.139 94 E HA 0.258 4.612 4.350 0.007 0.000 0.227 94 E C 0.307 176.910 176.600 0.005 0.000 1.187 94 E CA -0.215 56.160 56.400 -0.042 0.000 1.324 94 E CB -0.310 29.349 29.700 -0.068 0.000 1.207 94 E HN 0.543 nan 8.360 nan 0.000 0.422 95 H N 0.893 119.935 119.070 -0.045 0.000 2.352 95 H HA -0.132 4.428 4.556 0.007 0.000 0.299 95 H C 1.010 176.334 175.328 -0.007 0.000 1.097 95 H CA 2.622 58.659 56.048 -0.017 0.000 1.311 95 H CB 0.657 30.410 29.762 -0.015 0.000 1.377 95 H HN 0.221 nan 8.280 nan 0.000 0.504 96 E N 0.170 120.341 120.200 -0.049 0.000 2.274 96 E HA 0.087 4.442 4.350 0.007 0.000 0.194 96 E C 1.042 177.589 176.600 -0.090 0.000 0.996 96 E CA 0.810 57.164 56.400 -0.076 0.000 0.840 96 E CB 0.033 29.737 29.700 0.007 0.000 0.772 96 E HN 0.486 nan 8.360 nan 0.000 0.491 97 A N 0.926 123.701 122.820 -0.076 0.000 3.135 97 A HA 0.576 4.900 4.320 0.007 0.000 0.253 97 A C 1.597 179.138 177.584 -0.072 0.000 1.638 97 A CA 0.398 52.400 52.037 -0.060 0.000 1.295 97 A CB -0.718 18.256 19.000 -0.042 0.000 1.106 97 A HN 0.229 nan 8.150 nan 0.000 0.648 98 A N 0.787 123.549 122.820 -0.096 0.000 1.908 98 A HA 0.061 4.386 4.320 0.007 0.000 0.218 98 A C 2.393 179.946 177.584 -0.053 0.000 1.181 98 A CA 2.012 53.993 52.037 -0.094 0.000 0.627 98 A CB -0.625 18.312 19.000 -0.104 0.000 0.818 98 A HN 1.248 nan 8.150 nan 0.000 0.445 99 A N -0.342 122.455 122.820 -0.038 0.000 1.930 99 A HA 0.213 4.537 4.320 0.007 0.000 0.217 99 A C 2.486 180.051 177.584 -0.032 0.000 1.175 99 A CA 1.932 53.953 52.037 -0.028 0.000 0.627 99 A CB -0.934 18.059 19.000 -0.012 0.000 0.815 99 A HN 1.022 nan 8.150 nan 0.000 0.443 100 A N -0.005 122.797 122.820 -0.030 0.000 1.877 100 A HA -0.168 4.157 4.320 0.007 0.000 0.216 100 A C 2.249 179.816 177.584 -0.029 0.000 1.186 100 A CA 1.535 53.556 52.037 -0.027 0.000 0.620 100 A CB -0.481 18.504 19.000 -0.025 0.000 0.822 100 A HN 0.528 nan 8.150 nan 0.000 0.443 101 R N -1.307 119.175 120.500 -0.031 0.000 2.115 101 R HA -0.127 4.217 4.340 0.007 0.000 0.230 101 R C 2.298 178.585 176.300 -0.022 0.000 1.111 101 R CA 1.243 57.332 56.100 -0.019 0.000 0.976 101 R CB -0.796 29.494 30.300 -0.016 0.000 0.870 101 R HN 0.681 nan 8.270 nan 0.000 0.445 102 C N 0.080 119.356 119.300 -0.041 0.000 2.440 102 C HA 0.018 4.482 4.460 0.007 0.000 0.278 102 C C 2.755 177.672 174.990 -0.121 0.000 1.295 102 C CA 1.060 60.034 59.018 -0.074 0.000 1.738 102 C CB -1.183 26.514 27.740 -0.072 0.000 1.987 102 C HN 0.640 nan 8.230 nan 0.000 0.492 103 G N 0.305 109.052 108.800 -0.088 0.000 2.418 103 G HA2 -0.125 3.839 3.960 0.007 0.000 0.217 103 G HA3 -0.125 3.839 3.960 0.007 0.000 0.217 103 G C 1.623 176.482 174.900 -0.070 0.000 1.158 103 G CA 0.984 46.032 45.100 -0.087 0.000 0.771 103 G HN 0.565 nan 8.290 nan 0.000 0.545 104 L N -0.139 121.062 121.223 -0.037 0.000 2.072 104 L HA 0.024 4.368 4.340 0.007 0.000 0.205 104 L C 2.899 179.770 176.870 0.001 0.000 1.079 104 L CA 1.016 55.851 54.840 -0.008 0.000 0.752 104 L CB -0.288 41.776 42.059 0.009 0.000 0.906 104 L HN 0.256 nan 8.230 nan 0.000 0.436 105 E N -0.301 119.898 120.200 -0.002 0.000 2.072 105 E HA -0.225 4.129 4.350 0.007 0.000 0.191 105 E C 2.291 178.872 176.600 -0.032 0.000 0.985 105 E CA 1.204 57.628 56.400 0.040 0.000 0.801 105 E CB -0.094 29.653 29.700 0.079 0.000 0.750 105 E HN 0.459 nan 8.360 nan 0.000 0.452 106 M N 0.093 119.554 119.600 -0.232 0.000 2.279 106 M HA -0.133 4.351 4.480 0.007 0.000 0.264 106 M C 2.269 178.513 176.300 -0.094 0.000 1.062 106 M CA 1.100 56.098 55.300 -0.503 0.000 1.099 106 M CB -0.023 32.130 32.600 -0.746 0.000 1.394 106 M HN 0.123 nan 8.290 nan 0.000 0.426 107 A N -0.205 122.590 122.820 -0.042 0.000 1.903 107 A HA -0.024 4.300 4.320 0.007 0.000 0.213 107 A C 2.045 179.632 177.584 0.005 0.000 1.185 107 A CA 0.849 52.893 52.037 0.011 0.000 0.628 107 A CB -0.350 18.655 19.000 0.008 0.000 0.830 107 A HN 0.388 nan 8.150 nan 0.000 0.446 108 M N -0.630 118.980 119.600 0.017 0.000 2.175 108 M HA -0.006 4.478 4.480 0.007 0.000 0.264 108 M C 1.964 178.247 176.300 -0.027 0.000 1.063 108 M CA 1.145 56.459 55.300 0.024 0.000 1.119 108 M CB -0.300 32.350 32.600 0.084 0.000 1.377 108 M HN 0.354 nan 8.290 nan 0.000 0.415 109 L N -0.385 120.821 121.223 -0.029 0.000 2.156 109 L HA -0.184 4.160 4.340 0.007 0.000 0.208 109 L C 1.921 178.658 176.870 -0.222 0.000 1.095 109 L CA 0.904 55.629 54.840 -0.193 0.000 0.770 109 L CB -0.399 41.624 42.059 -0.060 0.000 0.914 109 L HN 0.256 nan 8.230 nan 0.000 0.439 110 D N -0.023 120.330 120.400 -0.079 0.000 2.144 110 D HA -0.148 4.496 4.640 0.007 0.000 0.200 110 D C 2.113 178.292 176.300 -0.202 0.000 0.978 110 D CA 1.249 55.131 54.000 -0.197 0.000 0.833 110 D CB 0.233 40.906 40.800 -0.213 0.000 0.961 110 D HN 0.229 nan 8.370 nan 0.000 0.470 111 A N -0.311 122.431 122.820 -0.130 0.000 2.067 111 A HA 0.036 4.360 4.320 0.007 0.000 0.217 111 A C 2.042 179.568 177.584 -0.097 0.000 1.156 111 A CA 0.668 52.643 52.037 -0.104 0.000 0.683 111 A CB -0.533 18.429 19.000 -0.064 0.000 0.808 111 A HN 0.360 nan 8.150 nan 0.000 0.455 112 L N 0.293 121.441 121.223 -0.126 0.000 2.023 112 L HA -0.091 4.253 4.340 0.007 0.000 0.205 112 L C 2.679 179.526 176.870 -0.039 0.000 1.073 112 L CA 2.777 57.571 54.840 -0.076 0.000 0.745 112 L CB -0.737 41.196 42.059 -0.211 0.000 0.900 112 L HN 0.475 nan 8.230 nan 0.000 0.435 113 T N -3.441 110.962 114.554 -0.252 0.000 2.995 113 T HA -0.103 4.251 4.350 0.007 0.000 0.269 113 T C 1.995 176.600 174.700 -0.158 0.000 1.091 113 T CA 0.956 62.908 62.100 -0.246 0.000 1.128 113 T CB -0.397 68.203 68.868 -0.448 0.000 0.891 113 T HN 0.317 nan 8.240 nan 0.000 0.492 114 R N -0.141 120.249 120.500 -0.184 0.000 2.119 114 R HA 0.066 4.410 4.340 0.007 0.000 0.222 114 R C 2.448 178.568 176.300 -0.300 0.000 1.088 114 R CA 1.116 57.077 56.100 -0.232 0.000 0.984 114 R CB -0.416 29.757 30.300 -0.212 0.000 0.884 114 R HN 0.581 nan 8.270 nan 0.000 0.447 115 H N -0.659 118.239 119.070 -0.287 0.000 2.421 115 H HA -0.126 4.433 4.556 0.005 0.000 0.298 115 H C 0.561 175.666 175.328 -0.371 0.000 1.087 115 H CA 1.551 57.383 56.048 -0.360 0.000 1.330 115 H CB 0.099 29.617 29.762 -0.407 0.000 1.388 115 H HN 0.176 nan 8.280 nan 0.000 0.526 116 Y N 0.164 120.370 120.300 -0.157 0.000 2.493 116 Y HA 0.167 4.720 4.550 0.006 0.000 0.275 116 Y C 0.296 176.207 175.900 0.019 0.000 1.183 116 Y CA 0.253 58.305 58.100 -0.080 0.000 1.258 116 Y CB -0.341 38.111 38.460 -0.013 0.000 1.108 116 Y HN 0.370 nan 8.280 nan 0.000 0.521 117 H N -1.187 117.858 119.070 -0.041 0.000 2.776 117 H HA -0.246 4.314 4.556 0.007 0.000 0.300 117 H C 0.313 175.619 175.328 -0.037 0.000 1.161 117 H CA 1.098 57.117 56.048 -0.048 0.000 1.147 117 H CB -1.214 28.516 29.762 -0.053 0.000 1.366 117 H HN 0.415 nan 8.280 nan 0.000 0.397 118 M N 1.316 120.926 119.600 0.017 0.000 2.294 118 M HA 0.358 4.843 4.480 0.007 0.000 0.335 118 M C -2.552 173.683 176.300 -0.108 0.000 1.079 118 M CA -1.550 53.733 55.300 -0.030 0.000 0.982 118 M CB 1.888 34.481 32.600 -0.013 0.000 1.651 118 M HN -0.265 nan 8.290 nan 0.000 0.437 119 P HA 0.069 nan 4.420 nan 0.000 0.271 119 P C 0.312 177.477 177.300 -0.224 0.000 1.216 119 P CA -0.022 62.975 63.100 -0.171 0.000 0.776 119 P CB 0.601 32.109 31.700 -0.320 0.000 0.881 120 L N 2.534 123.645 121.223 -0.186 0.000 2.131 120 L HA -0.221 4.124 4.340 0.007 0.000 0.210 120 L C 2.304 179.061 176.870 -0.189 0.000 1.092 120 L CA 1.639 56.282 54.840 -0.327 0.000 0.759 120 L CB -0.721 41.106 42.059 -0.387 0.000 0.903 120 L HN 0.629 nan 8.230 nan 0.000 0.435 121 H N -3.274 115.763 119.070 -0.055 0.000 2.462 121 H HA -0.053 4.508 4.556 0.008 0.000 0.292 121 H C 1.971 177.327 175.328 0.046 0.000 1.049 121 H CA 0.937 57.018 56.048 0.054 0.000 1.334 121 H CB -0.515 29.276 29.762 0.049 0.000 1.404 121 H HN 0.048 nan 8.280 nan 0.000 0.544 122 V N 0.560 120.254 119.914 -0.366 0.000 2.379 122 V HA -0.198 3.926 4.120 0.007 0.000 0.245 122 V C 2.221 178.261 176.094 -0.090 0.000 1.044 122 V CA 1.772 63.945 62.300 -0.213 0.000 1.036 122 V CB -0.813 30.862 31.823 -0.247 0.000 0.664 122 V HN 0.429 nan 8.190 nan 0.000 0.453 123 F N 0.198 119.966 119.950 -0.302 0.000 2.171 123 F HA -0.177 4.353 4.527 0.005 0.000 0.300 123 F C 1.929 177.594 175.800 -0.225 0.000 1.090 123 F CA 1.746 59.535 58.000 -0.352 0.000 1.293 123 F CB -0.179 38.454 39.000 -0.611 0.000 1.013 123 F HN 0.136 nan 8.300 nan 0.000 0.486 124 F N -0.918 119.031 119.950 -0.002 0.000 2.789 124 F HA 0.211 4.743 4.527 0.007 0.000 0.300 124 F C 1.944 177.718 175.800 -0.043 0.000 1.132 124 F CA 0.425 58.401 58.000 -0.040 0.000 1.404 124 F CB 0.537 39.556 39.000 0.032 0.000 1.114 124 F HN 0.188 nan 8.300 nan 0.000 0.584 125 G N -1.303 107.562 108.800 0.108 0.000 3.611 125 G HA2 0.041 4.006 3.960 0.007 0.000 0.217 125 G HA3 0.041 4.006 3.960 0.007 0.000 0.217 125 G C 0.961 175.888 174.900 0.046 0.000 1.023 125 G CA -0.206 44.933 45.100 0.065 0.000 0.887 125 G HN 0.507 nan 8.290 nan 0.000 0.420 126 G N -0.154 108.686 108.800 0.067 0.000 2.160 126 G HA2 -0.167 3.797 3.960 0.007 0.000 0.251 126 G HA3 -0.167 3.797 3.960 0.007 0.000 0.251 126 G C 1.307 176.252 174.900 0.075 0.000 1.008 126 G CA 1.063 46.197 45.100 0.057 0.000 0.724 126 G HN 1.388 nan 8.290 nan 0.000 0.514 127 V N 0.129 120.093 119.914 0.083 0.000 2.343 127 V HA 0.093 4.217 4.120 0.007 0.000 0.247 127 V C 1.738 177.871 176.094 0.066 0.000 1.051 127 V CA 2.612 64.952 62.300 0.067 0.000 1.036 127 V CB -0.234 31.632 31.823 0.071 0.000 0.654 127 V HN 1.476 nan 8.190 nan 0.000 0.451 128 S N -0.621 115.128 115.700 0.081 0.000 2.671 128 S HA 0.608 5.082 4.470 0.007 0.000 0.277 128 S C -0.609 174.039 174.600 0.080 0.000 1.165 128 S CA -0.707 57.532 58.200 0.064 0.000 0.822 128 S CB 2.131 65.350 63.200 0.031 0.000 1.150 128 S HN 0.343 nan 8.310 nan 0.000 0.479 129 K N -0.165 120.253 120.400 0.029 0.000 2.706 129 K HA 0.448 4.773 4.320 0.007 0.000 0.203 129 K C -0.311 176.241 176.600 -0.080 0.000 1.102 129 K CA -0.364 55.889 56.287 -0.057 0.000 1.058 129 K CB 0.636 33.116 32.500 -0.034 0.000 0.779 129 K HN 0.574 nan 8.250 nan 0.000 0.483 130 Q N 1.244 121.009 119.800 -0.058 0.000 2.284 130 Q HA 0.467 4.811 4.340 0.007 0.000 0.269 130 Q C -1.591 174.364 176.000 -0.075 0.000 1.026 130 Q CA -0.675 55.089 55.803 -0.064 0.000 0.831 130 Q CB 1.503 30.218 28.738 -0.037 0.000 1.322 130 Q HN 0.269 nan 8.270 nan 0.000 0.419 131 L N 1.740 122.896 121.223 -0.112 0.000 2.309 131 L HA 0.632 4.976 4.340 0.007 0.000 0.261 131 L C -0.875 175.929 176.870 -0.110 0.000 1.021 131 L CA -0.936 53.833 54.840 -0.118 0.000 0.823 131 L CB 2.314 44.268 42.059 -0.175 0.000 1.366 131 L HN 0.615 nan 8.230 nan 0.000 0.423 132 E N 0.598 120.750 120.200 -0.081 0.000 2.325 132 E HA 0.249 4.603 4.350 0.007 0.000 0.248 132 E C -0.930 175.647 176.600 -0.038 0.000 0.912 132 E CA -0.227 56.138 56.400 -0.059 0.000 0.782 132 E CB 1.575 31.256 29.700 -0.032 0.000 1.264 132 E HN 0.444 nan 8.360 nan 0.000 0.417 133 T N 2.954 117.475 114.554 -0.055 0.000 2.909 133 T HA 0.293 4.647 4.350 0.007 0.000 0.289 133 T C -0.055 174.663 174.700 0.030 0.000 1.005 133 T CA -0.618 61.471 62.100 -0.019 0.000 1.084 133 T CB 0.458 69.291 68.868 -0.057 0.000 0.975 133 T HN 0.587 nan 8.240 nan 0.000 0.509 134 D N 3.229 123.672 120.400 0.071 0.000 2.414 134 D HA 0.360 5.004 4.640 0.007 0.000 0.251 134 D C -0.141 176.223 176.300 0.106 0.000 1.252 134 D CA -0.404 53.652 54.000 0.092 0.000 0.999 134 D CB 0.408 41.277 40.800 0.115 0.000 1.093 134 D HN 0.583 nan 8.370 nan 0.000 0.515 135 M N -0.916 118.759 119.600 0.125 0.000 2.501 135 M HA 0.349 4.833 4.480 0.007 0.000 0.293 135 M C -1.347 175.073 176.300 0.200 0.000 1.192 135 M CA -0.531 54.880 55.300 0.184 0.000 0.886 135 M CB 2.331 35.020 32.600 0.148 0.000 1.710 135 M HN 0.404 nan 8.290 nan 0.000 0.457 136 T N 4.393 119.121 114.554 0.290 0.000 2.856 136 T HA 0.468 4.822 4.350 0.007 0.000 0.292 136 T C -0.000 174.822 174.700 0.203 0.000 0.980 136 T CA -0.387 61.825 62.100 0.186 0.000 1.091 136 T CB 0.362 69.278 68.868 0.080 0.000 0.936 136 T HN 0.484 nan 8.240 nan 0.000 0.503 137 I N 3.437 124.066 120.570 0.098 0.000 2.322 137 I HA 0.137 4.311 4.170 0.007 0.000 0.292 137 I C 0.521 176.632 176.117 -0.011 0.000 1.060 137 I CA -0.305 61.041 61.300 0.078 0.000 1.309 137 I CB 0.491 38.527 38.000 0.060 0.000 1.415 137 I HN 0.550 nan 8.210 nan 0.000 0.492 138 T N 6.520 121.064 114.554 -0.018 0.000 2.743 138 T HA 0.548 4.902 4.350 0.007 0.000 0.293 138 T C 0.544 175.210 174.700 -0.058 0.000 0.945 138 T CA 0.216 62.234 62.100 -0.138 0.000 1.030 138 T CB 1.179 69.901 68.868 -0.244 0.000 0.912 138 T HN 0.898 nan 8.240 nan 0.000 0.483 139 A N 3.180 125.957 122.820 -0.071 0.000 6.082 139 A HA 0.308 4.632 4.320 0.007 0.000 0.269 139 A C 0.790 178.381 177.584 0.013 0.000 2.078 139 A CA 0.423 52.443 52.037 -0.028 0.000 0.711 139 A CB -1.611 17.362 19.000 -0.044 0.000 1.114 139 A HN 2.606 nan 8.150 nan 0.000 0.371 140 G N -1.284 107.524 108.800 0.014 0.000 2.716 140 G HA2 0.405 4.369 3.960 0.007 0.000 0.686 140 G HA3 0.405 4.369 3.960 0.007 0.000 0.686 140 G C -0.381 174.556 174.900 0.061 0.000 1.337 140 G CA 0.906 46.011 45.100 0.009 0.000 0.829 140 G HN 2.524 nan 8.290 nan 0.000 0.599 141 D N 0.337 120.779 120.400 0.070 0.000 2.380 141 D HA 0.155 4.799 4.640 0.007 0.000 0.254 141 D C 1.732 178.052 176.300 0.034 0.000 1.288 141 D CA 0.200 54.241 54.000 0.068 0.000 1.008 141 D CB 0.292 41.158 40.800 0.110 0.000 1.099 141 D HN 0.738 nan 8.370 nan 0.000 0.537 142 E N -0.382 119.799 120.200 -0.032 0.000 2.130 142 E HA -0.205 4.149 4.350 0.007 0.000 0.196 142 E C 1.960 178.565 176.600 0.009 0.000 0.998 142 E CA 1.055 57.433 56.400 -0.038 0.000 0.806 142 E CB -0.636 29.029 29.700 -0.059 0.000 0.738 142 E HN 0.295 nan 8.360 nan 0.000 0.459 143 V N 0.915 120.854 119.914 0.043 0.000 2.453 143 V HA -0.180 3.945 4.120 0.007 0.000 0.247 143 V C 1.836 177.903 176.094 -0.046 0.000 1.048 143 V CA 2.018 64.315 62.300 -0.004 0.000 1.049 143 V CB -0.466 31.345 31.823 -0.021 0.000 0.672 143 V HN 0.298 nan 8.190 nan 0.000 0.457 144 H N -0.346 118.726 119.070 0.003 0.000 2.448 144 H HA 0.204 4.764 4.556 0.007 0.000 0.292 144 H C 2.161 177.496 175.328 0.012 0.000 1.035 144 H CA 1.281 57.336 56.048 0.011 0.000 1.349 144 H CB -0.219 29.555 29.762 0.019 0.000 1.425 144 H HN 0.481 nan 8.280 nan 0.000 0.539 145 A N 0.863 123.753 122.820 0.116 0.000 1.930 145 A HA -0.070 4.254 4.320 0.007 0.000 0.217 145 A C 2.494 180.102 177.584 0.039 0.000 1.175 145 A CA 1.368 53.443 52.037 0.064 0.000 0.627 145 A CB -0.996 18.021 19.000 0.029 0.000 0.815 145 A HN 0.448 nan 8.150 nan 0.000 0.443 146 A N 0.077 122.909 122.820 0.019 0.000 1.883 146 A HA 0.073 4.397 4.320 0.007 0.000 0.217 146 A C 2.508 180.090 177.584 -0.002 0.000 1.186 146 A CA 2.346 54.384 52.037 0.000 0.000 0.624 146 A CB -1.069 17.920 19.000 -0.018 0.000 0.822 146 A HN 1.102 nan 8.150 nan 0.000 0.444 147 A N -1.000 121.813 122.820 -0.012 0.000 1.969 147 A HA -0.015 4.310 4.320 0.007 0.000 0.218 147 A C 2.420 180.014 177.584 0.017 0.000 1.169 147 A CA 1.950 53.978 52.037 -0.016 0.000 0.635 147 A CB -0.704 18.261 19.000 -0.057 0.000 0.810 147 A HN 0.448 nan 8.150 nan 0.000 0.445 148 S N -0.235 115.491 115.700 0.044 0.000 2.368 148 S HA 0.025 4.499 4.470 0.007 0.000 0.224 148 S C 2.317 176.948 174.600 0.052 0.000 1.029 148 S CA 0.997 59.233 58.200 0.061 0.000 0.988 148 S CB -0.391 62.862 63.200 0.088 0.000 0.838 148 S HN 0.778 nan 8.310 nan 0.000 0.462 149 A N 2.077 124.923 122.820 0.044 0.000 1.908 149 A HA -0.142 4.182 4.320 0.007 0.000 0.218 149 A C 2.066 179.667 177.584 0.028 0.000 1.181 149 A CA 1.343 53.404 52.037 0.041 0.000 0.627 149 A CB -0.368 18.654 19.000 0.037 0.000 0.818 149 A HN 0.344 nan 8.150 nan 0.000 0.445 150 K N -0.460 119.950 120.400 0.016 0.000 2.097 150 K HA -0.009 4.315 4.320 0.007 0.000 0.205 150 K C 2.276 178.882 176.600 0.010 0.000 1.050 150 K CA 1.069 57.360 56.287 0.007 0.000 0.938 150 K CB -0.377 32.121 32.500 -0.004 0.000 0.718 150 K HN 0.446 nan 8.250 nan 0.000 0.442 151 A N 1.472 124.300 122.820 0.014 0.000 1.972 151 A HA -0.111 4.213 4.320 0.007 0.000 0.219 151 A C 2.133 179.724 177.584 0.013 0.000 1.169 151 A CA 1.088 53.132 52.037 0.012 0.000 0.635 151 A CB -0.455 18.554 19.000 0.015 0.000 0.810 151 A HN 0.150 nan 8.150 nan 0.000 0.446 152 I N -1.184 119.401 120.570 0.025 0.000 2.193 152 I HA -0.201 3.973 4.170 0.007 0.000 0.240 152 I C 2.278 178.409 176.117 0.024 0.000 1.084 152 I CA 0.870 62.187 61.300 0.029 0.000 1.365 152 I CB -0.234 37.797 38.000 0.052 0.000 1.064 152 I HN 0.230 nan 8.210 nan 0.000 0.410 153 L N 0.687 121.924 121.223 0.024 0.000 2.083 153 L HA -0.172 4.172 4.340 0.007 0.000 0.209 153 L C 2.573 179.450 176.870 0.012 0.000 1.083 153 L CA 1.947 56.798 54.840 0.019 0.000 0.752 153 L CB -0.796 41.274 42.059 0.018 0.000 0.899 153 L HN 0.208 nan 8.230 nan 0.000 0.433 154 A N -1.123 121.702 122.820 0.008 0.000 2.067 154 A HA -0.201 4.124 4.320 0.007 0.000 0.219 154 A C 2.424 180.010 177.584 0.003 0.000 1.158 154 A CA 1.325 53.364 52.037 0.004 0.000 0.661 154 A CB -0.544 18.456 19.000 0.002 0.000 0.801 154 A HN 0.359 nan 8.150 nan 0.000 0.452 155 R N -1.046 119.456 120.500 0.003 0.000 2.307 155 R HA 0.124 4.468 4.340 0.007 0.000 0.199 155 R C 1.085 177.387 176.300 0.004 0.000 1.000 155 R CA 0.790 56.890 56.100 0.000 0.000 1.023 155 R CB -0.197 30.100 30.300 -0.005 0.000 0.908 155 R HN 0.695 nan 8.270 nan 0.000 0.473 156 G N 0.554 109.359 108.800 0.007 0.000 2.142 156 G HA2 -0.231 3.733 3.960 0.007 0.000 0.225 156 G HA3 -0.231 3.733 3.960 0.007 0.000 0.225 156 G C -0.123 174.783 174.900 0.010 0.000 1.015 156 G CA -0.064 45.041 45.100 0.008 0.000 0.716 156 G HN 0.229 nan 8.290 nan 0.000 0.508 157 I N -0.477 120.103 120.570 0.016 0.000 2.359 157 I HA 0.456 4.630 4.170 0.007 0.000 0.294 157 I C 1.178 177.313 176.117 0.031 0.000 0.987 157 I CA -0.913 60.401 61.300 0.023 0.000 1.225 157 I CB 1.733 39.751 38.000 0.030 0.000 1.366 157 I HN -0.049 nan 8.210 nan 0.000 0.466 158 K N 2.533 122.953 120.400 0.033 0.000 2.284 158 K HA 0.114 4.439 4.320 0.007 0.000 0.198 158 K C 0.189 176.821 176.600 0.055 0.000 1.048 158 K CA 0.386 56.695 56.287 0.038 0.000 0.987 158 K CB 0.279 32.797 32.500 0.030 0.000 0.800 158 K HN 0.707 nan 8.250 nan 0.000 0.486 159 S N 0.042 115.781 115.700 0.066 0.000 2.568 159 S HA 0.708 5.182 4.470 0.007 0.000 0.293 159 S C -0.491 174.161 174.600 0.088 0.000 1.089 159 S CA -1.154 57.098 58.200 0.086 0.000 0.945 159 S CB 1.579 64.845 63.200 0.112 0.000 1.077 159 S HN 0.182 nan 8.310 nan 0.000 0.485 160 I N -1.269 119.355 120.570 0.089 0.000 2.689 160 I HA 0.752 4.926 4.170 0.007 0.000 0.299 160 I C -0.970 175.196 176.117 0.082 0.000 1.059 160 I CA -0.929 60.423 61.300 0.088 0.000 1.055 160 I CB 2.039 40.087 38.000 0.081 0.000 1.243 160 I HN 0.749 nan 8.210 nan 0.000 0.425 161 K N 4.670 125.119 120.400 0.081 0.000 2.274 161 K HA 0.710 5.034 4.320 0.007 0.000 0.262 161 K C -1.673 174.952 176.600 0.042 0.000 0.961 161 K CA -0.717 55.605 56.287 0.059 0.000 0.833 161 K CB 1.758 34.293 32.500 0.058 0.000 1.102 161 K HN 0.651 nan 8.250 nan 0.000 0.436 162 V N 4.557 124.492 119.914 0.034 0.000 2.357 162 V HA 0.273 4.397 4.120 0.007 0.000 0.284 162 V C -0.196 175.901 176.094 0.005 0.000 1.018 162 V CA -0.914 61.402 62.300 0.026 0.000 0.841 162 V CB 1.168 33.023 31.823 0.053 0.000 0.991 162 V HN 0.713 nan 8.190 nan 0.000 0.437 163 K N 3.470 123.845 120.400 -0.041 0.000 2.297 163 K HA 0.475 4.799 4.320 0.007 0.000 0.286 163 K C 0.289 176.868 176.600 -0.036 0.000 1.053 163 K CA -0.132 56.116 56.287 -0.066 0.000 0.940 163 K CB 0.737 33.151 32.500 -0.144 0.000 1.019 163 K HN 0.942 nan 8.250 nan 0.000 0.475 164 T N 0.271 114.809 114.554 -0.027 0.000 2.932 164 T HA 0.508 4.862 4.350 0.007 0.000 0.289 164 T C 0.809 175.440 174.700 -0.116 0.000 1.039 164 T CA -0.744 61.333 62.100 -0.039 0.000 1.024 164 T CB 1.884 70.729 68.868 -0.039 0.000 1.090 164 T HN 0.455 nan 8.240 nan 0.000 0.496 165 A N 0.522 123.258 122.820 -0.141 0.000 2.021 165 A HA 0.518 4.843 4.320 0.007 0.000 0.216 165 A C 2.155 179.503 177.584 -0.395 0.000 1.163 165 A CA 0.964 52.877 52.037 -0.207 0.000 0.676 165 A CB -1.357 17.549 19.000 -0.157 0.000 0.818 165 A HN 2.201 nan 8.150 nan 0.000 0.453 166 G N -1.261 107.139 108.800 -0.667 0.000 2.184 166 G HA2 -0.335 3.629 3.960 0.007 0.000 0.264 166 G HA3 -0.335 3.629 3.960 0.007 0.000 0.264 166 G C 1.256 175.701 174.900 -0.758 0.000 0.975 166 G CA 1.243 45.490 45.100 -1.422 0.000 0.642 166 G HN 1.540 nan 8.290 nan 0.000 0.536 167 V N -2.679 117.002 119.914 -0.388 0.000 2.951 167 V HA 0.438 4.563 4.120 0.007 0.000 0.255 167 V C 0.612 176.630 176.094 -0.126 0.000 1.088 167 V CA 1.741 63.911 62.300 -0.216 0.000 1.109 167 V CB 0.404 32.126 31.823 -0.168 0.000 0.724 167 V HN 0.358 nan 8.190 nan 0.000 0.471 168 D N -1.055 119.287 120.400 -0.097 0.000 2.386 168 D HA 0.370 5.014 4.640 0.007 0.000 0.247 168 D C 0.630 176.989 176.300 0.099 0.000 1.336 168 D CA -0.217 53.790 54.000 0.011 0.000 0.976 168 D CB 1.800 42.608 40.800 0.012 0.000 1.257 168 D HN -0.121 nan 8.370 nan 0.000 0.570 169 V N 3.192 123.192 119.914 0.143 0.000 2.324 169 V HA -0.235 3.890 4.120 0.007 0.000 0.250 169 V C 2.457 178.699 176.094 0.247 0.000 1.060 169 V CA 2.404 64.863 62.300 0.264 0.000 1.042 169 V CB -0.777 31.203 31.823 0.261 0.000 0.650 169 V HN 0.691 nan 8.190 nan 0.000 0.450 170 A N -1.120 121.803 122.820 0.170 0.000 1.902 170 A HA -0.260 4.064 4.320 0.007 0.000 0.217 170 A C 2.162 179.834 177.584 0.148 0.000 1.181 170 A CA 2.043 54.162 52.037 0.136 0.000 0.623 170 A CB -0.751 18.312 19.000 0.104 0.000 0.818 170 A HN 0.636 nan 8.150 nan 0.000 0.443 171 Y N 1.159 121.493 120.300 0.057 0.000 2.145 171 Y HA -0.217 4.337 4.550 0.007 0.000 0.286 171 Y C 1.898 177.839 175.900 0.069 0.000 1.145 171 Y CA 2.080 60.205 58.100 0.042 0.000 1.148 171 Y CB -0.147 38.318 38.460 0.008 0.000 0.981 171 Y HN 0.355 nan 8.280 nan 0.000 0.507 172 D N 0.191 120.709 120.400 0.195 0.000 2.117 172 D HA -0.191 4.453 4.640 0.007 0.000 0.197 172 D C 2.313 178.752 176.300 0.232 0.000 0.987 172 D CA 1.625 55.736 54.000 0.185 0.000 0.829 172 D CB -0.502 40.431 40.800 0.222 0.000 0.961 172 D HN 0.397 nan 8.370 nan 0.000 0.460 173 L N 0.641 122.016 121.223 0.253 0.000 2.056 173 L HA -0.119 4.225 4.340 0.007 0.000 0.207 173 L C 2.538 179.413 176.870 0.008 0.000 1.078 173 L CA 1.038 55.940 54.840 0.103 0.000 0.749 173 L CB -0.418 41.658 42.059 0.028 0.000 0.901 173 L HN -0.025 nan 8.230 nan 0.000 0.433 174 A N 0.122 122.929 122.820 -0.021 0.000 1.908 174 A HA -0.243 4.081 4.320 0.007 0.000 0.218 174 A C 2.382 179.909 177.584 -0.096 0.000 1.181 174 A CA 1.708 53.706 52.037 -0.065 0.000 0.627 174 A CB -0.513 18.433 19.000 -0.090 0.000 0.818 174 A HN 0.332 nan 8.150 nan 0.000 0.445 175 R N -0.926 119.481 120.500 -0.154 0.000 2.075 175 R HA 0.014 4.358 4.340 0.007 0.000 0.232 175 R C 2.130 178.412 176.300 -0.030 0.000 1.126 175 R CA 1.271 57.293 56.100 -0.131 0.000 0.963 175 R CB -0.421 29.766 30.300 -0.188 0.000 0.858 175 R HN 0.496 nan 8.270 nan 0.000 0.435 176 L N 0.339 121.570 121.223 0.013 0.000 2.056 176 L HA -0.156 4.188 4.340 0.007 0.000 0.207 176 L C 2.531 179.417 176.870 0.027 0.000 1.078 176 L CA 1.352 56.210 54.840 0.031 0.000 0.749 176 L CB -0.264 41.813 42.059 0.030 0.000 0.901 176 L HN 0.215 nan 8.230 nan 0.000 0.433 177 R N -0.413 120.090 120.500 0.006 0.000 2.083 177 R HA -0.200 4.144 4.340 0.007 0.000 0.237 177 R C 2.325 178.644 176.300 0.032 0.000 1.137 177 R CA 1.524 57.640 56.100 0.026 0.000 0.951 177 R CB -0.455 29.844 30.300 -0.002 0.000 0.851 177 R HN 0.378 nan 8.270 nan 0.000 0.434 178 A N 1.111 123.933 122.820 0.004 0.000 1.877 178 A HA -0.166 4.159 4.320 0.007 0.000 0.216 178 A C 2.166 179.755 177.584 0.008 0.000 1.186 178 A CA 1.353 53.387 52.037 -0.005 0.000 0.620 178 A CB -0.507 18.481 19.000 -0.020 0.000 0.822 178 A HN 0.200 nan 8.150 nan 0.000 0.443 179 I N -1.444 119.144 120.570 0.029 0.000 2.226 179 I HA -0.258 3.916 4.170 0.007 0.000 0.245 179 I C 2.532 178.693 176.117 0.073 0.000 1.100 179 I CA 1.801 63.129 61.300 0.046 0.000 1.374 179 I CB -0.374 37.659 38.000 0.054 0.000 1.057 179 I HN 0.556 nan 8.210 nan 0.000 0.413 180 H N 0.676 119.739 119.070 -0.011 0.000 2.389 180 H HA -0.193 4.367 4.556 0.007 0.000 0.299 180 H C 2.180 177.502 175.328 -0.010 0.000 1.081 180 H CA 1.872 57.913 56.048 -0.011 0.000 1.345 180 H CB -0.042 29.707 29.762 -0.021 0.000 1.393 180 H HN 0.311 nan 8.280 nan 0.000 0.520 181 Q N -0.436 119.282 119.800 -0.138 0.000 2.084 181 Q HA -0.101 4.243 4.340 0.007 0.000 0.202 181 Q C 2.236 178.156 176.000 -0.133 0.000 0.978 181 Q CA 1.394 57.092 55.803 -0.176 0.000 0.844 181 Q CB -0.207 28.481 28.738 -0.082 0.000 0.898 181 Q HN 0.582 nan 8.270 nan 0.000 0.426 182 A N -0.179 122.597 122.820 -0.073 0.000 2.014 182 A HA 0.255 4.579 4.320 0.007 0.000 0.218 182 A C 1.066 178.624 177.584 -0.042 0.000 1.163 182 A CA 1.044 53.053 52.037 -0.047 0.000 0.652 182 A CB 0.093 19.079 19.000 -0.022 0.000 0.808 182 A HN 0.350 nan 8.150 nan 0.000 0.449 183 A N -0.638 122.156 122.820 -0.043 0.000 3.156 183 A HA 0.603 4.927 4.320 0.007 0.000 0.311 183 A C -2.189 175.386 177.584 -0.015 0.000 1.129 183 A CA -0.783 51.244 52.037 -0.016 0.000 0.809 183 A CB 0.436 19.450 19.000 0.023 0.000 1.257 183 A HN 0.083 nan 8.150 nan 0.000 0.491 184 P HA -0.028 nan 4.420 nan 0.000 0.233 184 P C 1.213 178.562 177.300 0.082 0.000 1.167 184 P CA 1.294 64.290 63.100 -0.175 0.000 0.770 184 P CB 0.403 31.942 31.700 -0.268 0.000 0.837 185 T N -1.679 112.910 114.554 0.058 0.000 3.044 185 T HA 0.324 4.678 4.350 0.007 0.000 0.250 185 T C 0.718 175.467 174.700 0.083 0.000 1.081 185 T CA -0.187 61.955 62.100 0.070 0.000 1.040 185 T CB -0.461 68.430 68.868 0.037 0.000 0.962 185 T HN -0.035 nan 8.240 nan 0.000 0.506 186 A N 3.842 126.719 122.820 0.096 0.000 2.404 186 A HA 0.544 4.868 4.320 0.007 0.000 0.273 186 A C -2.387 175.257 177.584 0.099 0.000 1.144 186 A CA -1.385 50.706 52.037 0.090 0.000 0.806 186 A CB 0.167 19.218 19.000 0.084 0.000 1.080 186 A HN 0.288 nan 8.150 nan 0.000 0.509 187 P HA 0.324 nan 4.420 nan 0.000 0.271 187 P C -0.941 176.413 177.300 0.089 0.000 1.216 187 P CA 0.147 63.301 63.100 0.090 0.000 0.776 187 P CB 0.712 32.479 31.700 0.111 0.000 0.881 188 L N 3.461 124.723 121.223 0.065 0.000 2.362 188 L HA 0.520 4.865 4.340 0.007 0.000 0.275 188 L C 0.214 177.104 176.870 0.033 0.000 0.998 188 L CA -0.848 54.020 54.840 0.047 0.000 0.820 188 L CB 1.576 43.645 42.059 0.017 0.000 1.270 188 L HN 0.230 nan 8.230 nan 0.000 0.415 189 I N 3.463 124.053 120.570 0.034 0.000 2.330 189 I HA 0.292 4.466 4.170 0.007 0.000 0.289 189 I C -0.341 175.792 176.117 0.027 0.000 1.001 189 I CA -0.511 60.786 61.300 -0.005 0.000 1.193 189 I CB 1.895 39.874 38.000 -0.036 0.000 1.345 189 I HN 0.218 nan 8.210 nan 0.000 0.461 190 V N 5.326 125.282 119.914 0.071 0.000 2.350 190 V HA 0.186 4.310 4.120 0.007 0.000 0.276 190 V C -0.185 175.990 176.094 0.136 0.000 1.028 190 V CA -0.474 61.914 62.300 0.147 0.000 0.860 190 V CB 1.437 33.406 31.823 0.244 0.000 0.990 190 V HN 0.599 nan 8.190 nan 0.000 0.453 191 D N 4.231 124.659 120.400 0.047 0.000 2.441 191 D HA 0.284 4.928 4.640 0.007 0.000 0.221 191 D C 1.217 177.504 176.300 -0.022 0.000 1.156 191 D CA 0.058 54.043 54.000 -0.026 0.000 0.896 191 D CB 1.450 42.220 40.800 -0.050 0.000 1.028 191 D HN 0.564 nan 8.370 nan 0.000 0.509 192 G N 3.233 111.999 108.800 -0.057 0.000 2.534 192 G HA2 -0.238 3.726 3.960 0.007 0.000 0.217 192 G HA3 -0.238 3.726 3.960 0.007 0.000 0.217 192 G C 1.005 175.882 174.900 -0.039 0.000 1.128 192 G CA 0.085 45.221 45.100 0.061 0.000 0.784 192 G HN 0.682 nan 8.290 nan 0.000 0.542 193 N N -1.994 116.645 118.700 -0.103 0.000 2.754 193 N HA -0.233 4.511 4.740 0.007 0.000 0.248 193 N C 0.837 176.280 175.510 -0.112 0.000 1.093 193 N CA 0.770 53.752 53.050 -0.112 0.000 0.699 193 N CB -1.751 36.666 38.487 -0.117 0.000 1.016 193 N HN 0.423 nan 8.380 nan 0.000 0.552 194 C N -4.153 115.078 119.300 -0.115 0.000 4.252 194 C HA -0.189 4.276 4.460 0.007 0.000 0.285 194 C C 2.098 177.034 174.990 -0.090 0.000 1.466 194 C CA 0.925 59.878 59.018 -0.107 0.000 1.946 194 C CB -2.141 25.537 27.740 -0.105 0.000 1.366 194 C HN 0.866 nan 8.230 nan 0.000 0.783 195 G N -2.380 106.353 108.800 -0.111 0.000 2.683 195 G HA2 0.283 4.247 3.960 0.007 0.000 0.213 195 G HA3 0.283 4.247 3.960 0.007 0.000 0.213 195 G C 0.209 174.965 174.900 -0.239 0.000 1.142 195 G CA 0.302 45.282 45.100 -0.201 0.000 0.793 195 G HN 0.615 nan 8.290 nan 0.000 0.534 196 Y N 1.497 121.727 120.300 -0.117 0.000 2.298 196 Y HA 0.388 4.942 4.550 0.007 0.000 0.329 196 Y C 0.593 176.458 175.900 -0.057 0.000 1.293 196 Y CA -0.851 57.205 58.100 -0.073 0.000 1.388 196 Y CB 0.840 39.267 38.460 -0.055 0.000 1.309 196 Y HN 0.206 nan 8.280 nan 0.000 0.544 197 D N -1.867 118.619 120.400 0.145 0.000 2.494 197 D HA 0.284 4.929 4.640 0.007 0.000 0.259 197 D C 0.584 176.954 176.300 0.116 0.000 1.109 197 D CA -0.660 53.394 54.000 0.090 0.000 1.040 197 D CB 0.391 41.223 40.800 0.054 0.000 1.175 197 D HN 0.219 nan 8.370 nan 0.000 0.584 198 V N 0.225 120.185 119.914 0.076 0.000 2.282 198 V HA -0.296 3.828 4.120 0.007 0.000 0.249 198 V C 2.330 178.481 176.094 0.095 0.000 1.057 198 V CA 2.625 64.969 62.300 0.074 0.000 1.032 198 V CB -1.287 30.569 31.823 0.054 0.000 0.645 198 V HN 0.817 nan 8.190 nan 0.000 0.447 199 E N 0.495 120.749 120.200 0.091 0.000 2.072 199 E HA -0.214 4.140 4.350 0.007 0.000 0.191 199 E C 2.303 178.983 176.600 0.133 0.000 0.985 199 E CA 1.125 57.582 56.400 0.095 0.000 0.801 199 E CB -0.396 29.347 29.700 0.073 0.000 0.750 199 E HN 0.484 nan 8.360 nan 0.000 0.452 200 R N 0.539 121.142 120.500 0.172 0.000 2.115 200 R HA -0.021 4.324 4.340 0.007 0.000 0.230 200 R C 2.465 178.990 176.300 0.375 0.000 1.111 200 R CA 1.169 57.431 56.100 0.270 0.000 0.976 200 R CB -0.325 30.137 30.300 0.271 0.000 0.870 200 R HN 0.323 nan 8.270 nan 0.000 0.445 201 A N 1.122 124.107 122.820 0.275 0.000 1.898 201 A HA -0.092 4.232 4.320 0.007 0.000 0.216 201 A C 2.144 179.816 177.584 0.148 0.000 1.181 201 A CA 1.014 53.113 52.037 0.103 0.000 0.620 201 A CB -0.389 18.659 19.000 0.080 0.000 0.819 201 A HN 0.157 nan 8.150 nan 0.000 0.442 202 L N -0.900 120.406 121.223 0.138 0.000 2.109 202 L HA -0.104 4.241 4.340 0.007 0.000 0.207 202 L C 3.040 179.967 176.870 0.096 0.000 1.086 202 L CA 0.852 55.758 54.840 0.110 0.000 0.760 202 L CB -0.475 41.638 42.059 0.090 0.000 0.910 202 L HN 0.422 nan 8.230 nan 0.000 0.437 203 A N -0.049 122.843 122.820 0.121 0.000 1.898 203 A HA -0.251 4.073 4.320 0.007 0.000 0.216 203 A C 2.193 179.840 177.584 0.105 0.000 1.181 203 A CA 1.304 53.405 52.037 0.107 0.000 0.620 203 A CB -0.830 18.244 19.000 0.124 0.000 0.819 203 A HN 0.389 nan 8.150 nan 0.000 0.442 204 F N 0.351 120.297 119.950 -0.006 0.000 2.126 204 F HA -0.282 4.249 4.527 0.007 0.000 0.299 204 F C 2.400 178.063 175.800 -0.229 0.000 1.096 204 F CA 2.047 59.991 58.000 -0.093 0.000 1.255 204 F CB -0.348 38.589 39.000 -0.104 0.000 0.997 204 F HN 0.301 nan 8.300 nan 0.000 0.479 205 C N 0.174 119.356 119.300 -0.196 0.000 2.457 205 C HA 0.042 4.507 4.460 0.007 0.000 0.278 205 C C 3.124 178.114 174.990 0.000 0.000 1.309 205 C CA 0.908 59.784 59.018 -0.237 0.000 1.735 205 C CB -1.660 26.078 27.740 -0.003 0.000 1.992 205 C HN 0.629 nan 8.230 nan 0.000 0.493 206 A N 0.432 123.253 122.820 0.001 0.000 1.972 206 A HA 0.095 4.419 4.320 0.007 0.000 0.219 206 A C 2.283 179.845 177.584 -0.037 0.000 1.169 206 A CA 1.935 53.978 52.037 0.009 0.000 0.635 206 A CB -0.599 18.408 19.000 0.012 0.000 0.810 206 A HN 0.565 nan 8.150 nan 0.000 0.446 207 A N -1.308 121.450 122.820 -0.105 0.000 1.930 207 A HA -0.052 4.272 4.320 0.007 0.000 0.215 207 A C 2.212 179.688 177.584 -0.180 0.000 1.176 207 A CA 1.343 53.300 52.037 -0.134 0.000 0.632 207 A CB -1.083 17.827 19.000 -0.151 0.000 0.819 207 A HN 0.559 nan 8.150 nan 0.000 0.445 208 C N -0.633 118.490 119.300 -0.295 0.000 2.425 208 C HA -0.053 4.411 4.460 0.007 0.000 0.277 208 C C 2.669 177.658 174.990 -0.000 0.000 1.280 208 C CA 1.472 60.326 59.018 -0.273 0.000 1.744 208 C CB -0.911 26.484 27.740 -0.575 0.000 1.989 208 C HN 0.731 nan 8.230 nan 0.000 0.491 209 K N 1.045 121.513 120.400 0.112 0.000 2.007 209 K HA -0.020 4.304 4.320 0.007 0.000 0.206 209 K C 2.158 178.746 176.600 -0.020 0.000 1.047 209 K CA 1.372 57.693 56.287 0.056 0.000 0.937 209 K CB -0.328 32.158 32.500 -0.024 0.000 0.718 209 K HN 0.334 nan 8.250 nan 0.000 0.438 210 A N 1.131 123.934 122.820 -0.028 0.000 1.972 210 A HA -0.156 4.168 4.320 0.007 0.000 0.219 210 A C 1.412 178.977 177.584 -0.032 0.000 1.169 210 A CA 1.673 53.690 52.037 -0.032 0.000 0.635 210 A CB -0.336 18.646 19.000 -0.030 0.000 0.810 210 A HN 0.494 nan 8.150 nan 0.000 0.446 211 E N 0.255 120.430 120.200 -0.042 0.000 2.463 211 E HA 0.128 4.482 4.350 0.007 0.000 0.193 211 E C 0.297 176.876 176.600 -0.035 0.000 1.041 211 E CA 0.386 56.764 56.400 -0.036 0.000 0.879 211 E CB 0.010 29.681 29.700 -0.049 0.000 0.997 211 E HN 0.717 nan 8.360 nan 0.000 0.478 212 S N 0.570 116.245 115.700 -0.041 0.000 3.524 212 S HA -0.228 4.246 4.470 0.007 0.000 0.377 212 S C 0.040 174.564 174.600 -0.127 0.000 0.949 212 S CA 0.174 58.346 58.200 -0.047 0.000 1.264 212 S CB -2.500 60.688 63.200 -0.020 0.000 0.918 212 S HN 0.310 nan 8.310 nan 0.000 0.517 213 I N 2.239 122.704 120.570 -0.174 0.000 2.352 213 I HA 0.300 4.474 4.170 0.007 0.000 0.290 213 I C -1.464 174.497 176.117 -0.259 0.000 1.036 213 I CA -2.450 58.639 61.300 -0.353 0.000 1.336 213 I CB 1.015 38.832 38.000 -0.306 0.000 1.407 213 I HN 0.163 nan 8.210 nan 0.000 0.497 214 P HA 0.013 nan 4.420 nan 0.000 0.232 214 P C -0.196 177.066 177.300 -0.064 0.000 1.738 214 P CA -0.134 62.893 63.100 -0.122 0.000 0.948 214 P CB -0.015 31.623 31.700 -0.103 0.000 1.943 215 M N 2.318 121.867 119.600 -0.085 0.000 2.251 215 M HA 0.030 4.514 4.480 0.007 0.000 0.346 215 M C 0.906 177.248 176.300 0.070 0.000 1.499 215 M CA 0.120 55.350 55.300 -0.117 0.000 1.128 215 M CB 0.796 33.116 32.600 -0.467 0.000 1.809 215 M HN -0.001 nan 8.290 nan 0.000 0.464 216 V N 3.782 123.748 119.914 0.087 0.000 3.307 216 V HA 0.321 4.445 4.120 0.007 0.000 0.253 216 V C -0.020 176.153 176.094 0.131 0.000 1.149 216 V CA 0.074 62.482 62.300 0.179 0.000 1.112 216 V CB 0.102 32.072 31.823 0.245 0.000 0.777 216 V HN 0.741 nan 8.190 nan 0.000 0.464 217 L N -0.045 121.172 121.223 -0.010 0.000 2.543 217 L HA 0.655 5.000 4.340 0.007 0.000 0.265 217 L C -1.664 175.212 176.870 0.010 0.000 0.945 217 L CA -0.676 54.094 54.840 -0.116 0.000 0.869 217 L CB 2.272 43.986 42.059 -0.574 0.000 1.294 217 L HN 0.085 nan 8.230 nan 0.000 0.405 218 F N 4.550 124.414 119.950 -0.145 0.000 2.308 218 F HA 0.447 4.978 4.527 0.007 0.000 0.370 218 F C 0.164 175.879 175.800 -0.142 0.000 1.100 218 F CA -0.659 57.251 58.000 -0.150 0.000 1.108 218 F CB 0.739 39.649 39.000 -0.151 0.000 1.293 218 F HN 0.640 nan 8.300 nan 0.000 0.478 219 E N 3.850 123.965 120.200 -0.143 0.000 2.259 219 E HA 0.134 4.488 4.350 0.007 0.000 0.281 219 E C -0.066 176.326 176.600 -0.346 0.000 1.027 219 E CA -0.586 55.683 56.400 -0.219 0.000 0.838 219 E CB 0.811 30.424 29.700 -0.144 0.000 1.066 219 E HN 0.600 nan 8.360 nan 0.000 0.401 220 Q N 4.130 123.746 119.800 -0.306 0.000 2.402 220 Q HA -0.170 4.174 4.340 0.007 0.000 0.370 220 Q C -1.879 173.902 176.000 -0.364 0.000 1.334 220 Q CA 0.530 56.154 55.803 -0.298 0.000 1.151 220 Q CB -0.089 28.527 28.738 -0.204 0.000 1.324 220 Q HN 0.475 nan 8.270 nan 0.000 0.332 221 P HA -0.086 nan 4.420 nan 0.000 0.221 221 P C -0.169 177.038 177.300 -0.156 0.000 1.150 221 P CA 0.868 63.646 63.100 -0.538 0.000 0.800 221 P CB 0.387 31.465 31.700 -1.036 0.000 0.787 222 L N -0.689 120.419 121.223 -0.192 0.000 2.341 222 L HA 0.551 4.896 4.340 0.007 0.000 0.267 222 L C -2.450 174.324 176.870 -0.160 0.000 1.009 222 L CA -2.678 52.088 54.840 -0.124 0.000 0.819 222 L CB 1.586 43.577 42.059 -0.115 0.000 1.323 222 L HN -0.334 nan 8.230 nan 0.000 0.425 223 P HA 0.084 nan 4.420 nan 0.000 0.268 223 P C 0.258 177.407 177.300 -0.251 0.000 1.208 223 P CA -0.166 62.842 63.100 -0.153 0.000 0.777 223 P CB 0.499 32.137 31.700 -0.103 0.000 0.875 224 R N 3.166 123.499 120.500 -0.279 0.000 2.119 224 R HA -0.211 4.133 4.340 0.007 0.000 0.246 224 R C 1.383 177.281 176.300 -0.669 0.000 1.146 224 R CA 1.848 57.661 56.100 -0.478 0.000 0.962 224 R CB -0.362 29.766 30.300 -0.287 0.000 0.863 224 R HN 0.504 nan 8.270 nan 0.000 0.442 225 E N 0.052 120.084 120.200 -0.281 0.000 2.511 225 E HA -0.108 4.246 4.350 0.007 0.000 0.196 225 E C -0.315 176.265 176.600 -0.033 0.000 1.066 225 E CA 0.422 56.783 56.400 -0.064 0.000 0.871 225 E CB -0.063 29.678 29.700 0.069 0.000 0.863 225 E HN 0.252 nan 8.360 nan 0.000 0.520 226 D N -0.068 120.219 120.400 -0.190 0.000 2.772 226 D HA 0.104 4.748 4.640 0.007 0.000 0.273 226 D C -0.035 176.208 176.300 -0.094 0.000 1.233 226 D CA -0.648 53.312 54.000 -0.068 0.000 0.984 226 D CB -0.474 40.291 40.800 -0.057 0.000 1.000 226 D HN 0.036 nan 8.370 nan 0.000 0.514 227 W N 1.820 123.118 121.300 -0.002 0.000 2.381 227 W HA -0.042 4.622 4.660 0.007 0.000 0.301 227 W C 2.365 178.882 176.519 -0.003 0.000 1.205 227 W CA 0.954 58.296 57.345 -0.005 0.000 1.285 227 W CB -0.452 29.006 29.460 -0.005 0.000 1.133 227 W HN 0.378 nan 8.180 nan 0.000 0.521 228 A N 0.694 123.650 122.820 0.227 0.000 1.877 228 A HA -0.035 4.290 4.320 0.007 0.000 0.216 228 A C 2.300 179.933 177.584 0.082 0.000 1.186 228 A CA 2.027 54.142 52.037 0.130 0.000 0.620 228 A CB -1.513 17.548 19.000 0.102 0.000 0.822 228 A HN 0.306 nan 8.150 nan 0.000 0.443 229 G N -0.918 107.917 108.800 0.059 0.000 2.421 229 G HA2 -0.218 3.746 3.960 0.007 0.000 0.216 229 G HA3 -0.218 3.746 3.960 0.007 0.000 0.216 229 G C 1.549 176.456 174.900 0.011 0.000 1.171 229 G CA 1.262 46.379 45.100 0.029 0.000 0.775 229 G HN 0.318 nan 8.290 nan 0.000 0.543 230 M N 1.157 120.746 119.600 -0.018 0.000 2.108 230 M HA -0.040 4.444 4.480 0.007 0.000 0.261 230 M C 3.051 179.359 176.300 0.012 0.000 1.066 230 M CA 1.458 56.734 55.300 -0.040 0.000 1.107 230 M CB -1.169 31.369 32.600 -0.104 0.000 1.356 230 M HN 0.339 nan 8.290 nan 0.000 0.406 231 A N -0.438 122.413 122.820 0.051 0.000 1.908 231 A HA -0.220 4.105 4.320 0.007 0.000 0.218 231 A C 2.139 179.753 177.584 0.050 0.000 1.181 231 A CA 1.579 53.653 52.037 0.061 0.000 0.627 231 A CB -0.738 18.310 19.000 0.079 0.000 0.818 231 A HN 0.563 nan 8.150 nan 0.000 0.445 232 Q N -0.499 119.330 119.800 0.048 0.000 2.020 232 Q HA -0.141 4.203 4.340 0.007 0.000 0.202 232 Q C 2.287 178.319 176.000 0.054 0.000 0.982 232 Q CA 1.991 57.822 55.803 0.047 0.000 0.838 232 Q CB -0.356 28.410 28.738 0.046 0.000 0.899 232 Q HN 0.510 nan 8.270 nan 0.000 0.423 233 V N 0.525 120.473 119.914 0.056 0.000 2.332 233 V HA -0.272 3.853 4.120 0.007 0.000 0.248 233 V C 2.303 178.455 176.094 0.098 0.000 1.055 233 V CA 2.208 64.558 62.300 0.084 0.000 1.038 233 V CB -0.979 30.886 31.823 0.069 0.000 0.651 233 V HN 0.430 nan 8.190 nan 0.000 0.450 234 T N 0.360 114.955 114.554 0.069 0.000 2.746 234 T HA -0.163 4.192 4.350 0.007 0.000 0.267 234 T C 2.002 176.740 174.700 0.063 0.000 1.039 234 T CA 1.687 63.830 62.100 0.070 0.000 1.142 234 T CB -0.382 68.516 68.868 0.050 0.000 0.866 234 T HN 0.587 nan 8.240 nan 0.000 0.444 235 A N 0.453 123.303 122.820 0.051 0.000 1.930 235 A HA 0.008 4.332 4.320 0.007 0.000 0.215 235 A C 2.212 179.815 177.584 0.033 0.000 1.176 235 A CA 1.283 53.342 52.037 0.037 0.000 0.632 235 A CB -0.391 18.628 19.000 0.032 0.000 0.819 235 A HN 0.412 nan 8.150 nan 0.000 0.445 236 Q N -0.441 119.387 119.800 0.046 0.000 2.324 236 Q HA -0.028 4.316 4.340 0.007 0.000 0.207 236 Q C 2.268 178.293 176.000 0.042 0.000 0.928 236 Q CA 1.263 57.089 55.803 0.039 0.000 0.890 236 Q CB 0.083 28.849 28.738 0.048 0.000 1.001 236 Q HN 0.757 nan 8.270 nan 0.000 0.517 237 S N -1.395 114.358 115.700 0.088 0.000 2.402 237 S HA 0.024 4.498 4.470 0.007 0.000 0.229 237 S C 1.645 176.257 174.600 0.021 0.000 1.021 237 S CA 0.913 59.202 58.200 0.149 0.000 0.974 237 S CB -0.222 63.157 63.200 0.299 0.000 0.800 237 S HN 0.561 nan 8.310 nan 0.000 0.484 238 G N 0.001 108.764 108.800 -0.061 0.000 2.176 238 G HA2 -0.218 3.746 3.960 0.007 0.000 0.253 238 G HA3 -0.218 3.746 3.960 0.007 0.000 0.253 238 G C -0.098 174.558 174.900 -0.406 0.000 0.979 238 G CA 0.231 45.178 45.100 -0.256 0.000 0.641 238 G HN 0.531 nan 8.290 nan 0.000 0.530 239 F N 1.220 121.170 119.950 0.000 0.000 2.458 239 F HA 0.751 5.282 4.527 0.007 0.000 0.330 239 F C 0.891 176.718 175.800 0.045 0.000 1.082 239 F CA -0.553 57.453 58.000 0.011 0.000 0.995 239 F CB 1.675 40.669 39.000 -0.012 0.000 1.170 239 F HN 0.289 nan 8.300 nan 0.000 0.478 240 A N 1.971 124.931 122.820 0.232 0.000 2.565 240 A HA 0.435 4.760 4.320 0.007 0.000 0.237 240 A C -0.541 177.138 177.584 0.159 0.000 1.053 240 A CA -0.063 52.074 52.037 0.168 0.000 0.755 240 A CB -0.105 18.999 19.000 0.174 0.000 0.980 240 A HN 0.560 nan 8.150 nan 0.000 0.506 241 V N 1.782 121.755 119.914 0.099 0.000 2.588 241 V HA 0.658 4.783 4.120 0.007 0.000 0.304 241 V C 0.401 176.484 176.094 -0.018 0.000 1.042 241 V CA -0.110 62.221 62.300 0.052 0.000 0.877 241 V CB 1.638 33.494 31.823 0.055 0.000 0.996 241 V HN 1.290 nan 8.190 nan 0.000 0.425 242 A N 3.384 126.156 122.820 -0.079 0.000 2.324 242 A HA 0.943 5.268 4.320 0.007 0.000 0.330 242 A C 0.042 177.567 177.584 -0.099 0.000 1.165 242 A CA -0.297 51.688 52.037 -0.086 0.000 0.813 242 A CB 1.379 20.305 19.000 -0.124 0.000 1.197 242 A HN 1.334 nan 8.150 nan 0.000 0.484 243 A N 1.174 123.955 122.820 -0.065 0.000 2.301 243 A HA 0.608 4.932 4.320 0.007 0.000 0.312 243 A C 0.110 177.660 177.584 -0.057 0.000 1.182 243 A CA 0.119 52.111 52.037 -0.075 0.000 0.826 243 A CB 0.843 19.819 19.000 -0.040 0.000 1.134 243 A HN 0.927 nan 8.150 nan 0.000 0.501 244 D N 0.357 120.711 120.400 -0.077 0.000 3.000 244 D HA 0.062 4.706 4.640 0.007 0.000 0.190 244 D C 1.264 177.535 176.300 -0.048 0.000 1.503 244 D CA 0.304 54.274 54.000 -0.050 0.000 1.496 244 D CB -0.127 40.635 40.800 -0.064 0.000 1.163 244 D HN 0.405 nan 8.370 nan 0.000 0.231 245 E N 0.043 120.197 120.200 -0.077 0.000 2.171 245 E HA -0.071 4.283 4.350 0.007 0.000 0.197 245 E C 1.696 178.234 176.600 -0.103 0.000 0.997 245 E CA 1.299 57.651 56.400 -0.079 0.000 0.810 245 E CB -0.103 29.532 29.700 -0.108 0.000 0.738 245 E HN 0.079 nan 8.360 nan 0.000 0.467 246 S N -0.838 114.762 115.700 -0.168 0.000 2.603 246 S HA 0.227 4.701 4.470 0.007 0.000 0.220 246 S C 0.484 175.082 174.600 -0.005 0.000 0.967 246 S CA 0.432 58.484 58.200 -0.247 0.000 0.920 246 S CB 0.601 63.534 63.200 -0.446 0.000 0.773 246 S HN 0.263 nan 8.310 nan 0.000 0.529 247 A N 1.209 124.044 122.820 0.025 0.000 3.030 247 A HA 0.556 4.880 4.320 0.007 0.000 0.335 247 A C 0.615 178.247 177.584 0.081 0.000 1.089 247 A CA -0.572 51.512 52.037 0.079 0.000 0.807 247 A CB 0.441 19.475 19.000 0.055 0.000 1.099 247 A HN 0.037 nan 8.150 nan 0.000 0.474 248 R N 0.378 120.943 120.500 0.108 0.000 2.365 248 R HA 0.196 4.541 4.340 0.007 0.000 0.223 248 R C 0.489 176.863 176.300 0.123 0.000 0.899 248 R CA 1.022 57.182 56.100 0.101 0.000 1.059 248 R CB 0.172 30.529 30.300 0.096 0.000 1.086 248 R HN 0.774 nan 8.270 nan 0.000 0.522 249 S N -2.262 113.526 115.700 0.147 0.000 2.638 249 S HA 0.609 5.083 4.470 0.007 0.000 0.274 249 S C 0.679 175.367 174.600 0.147 0.000 1.157 249 S CA -0.223 58.071 58.200 0.156 0.000 0.826 249 S CB 1.809 65.122 63.200 0.189 0.000 1.139 249 S HN -0.043 nan 8.310 nan 0.000 0.474 250 A N 0.428 123.332 122.820 0.139 0.000 1.969 250 A HA -0.028 4.296 4.320 0.007 0.000 0.218 250 A C 1.918 179.581 177.584 0.131 0.000 1.169 250 A CA 2.119 54.228 52.037 0.119 0.000 0.635 250 A CB -1.524 17.539 19.000 0.105 0.000 0.810 250 A HN 1.044 nan 8.150 nan 0.000 0.445 251 H N 0.362 119.463 119.070 0.053 0.000 2.353 251 H HA -0.101 4.459 4.556 0.007 0.000 0.300 251 H C 1.517 176.869 175.328 0.041 0.000 1.090 251 H CA 1.916 57.983 56.048 0.031 0.000 1.327 251 H CB -0.058 29.717 29.762 0.021 0.000 1.383 251 H HN 0.393 nan 8.280 nan 0.000 0.508 252 D N -0.403 120.077 120.400 0.132 0.000 2.104 252 D HA -0.151 4.493 4.640 0.007 0.000 0.194 252 D C 2.401 178.760 176.300 0.097 0.000 0.994 252 D CA 1.435 55.526 54.000 0.151 0.000 0.830 252 D CB -0.462 40.487 40.800 0.248 0.000 0.959 252 D HN 0.267 nan 8.370 nan 0.000 0.452 253 V N 1.021 120.982 119.914 0.078 0.000 2.427 253 V HA -0.181 3.943 4.120 0.007 0.000 0.248 253 V C 2.628 178.730 176.094 0.013 0.000 1.051 253 V CA 0.891 63.222 62.300 0.053 0.000 1.048 253 V CB -0.346 31.507 31.823 0.050 0.000 0.666 253 V HN 0.219 nan 8.190 nan 0.000 0.456 254 L N -0.305 120.902 121.223 -0.027 0.000 1.994 254 L HA -0.220 4.125 4.340 0.007 0.000 0.208 254 L C 2.787 179.596 176.870 -0.102 0.000 1.071 254 L CA 2.087 56.885 54.840 -0.069 0.000 0.745 254 L CB -0.507 41.490 42.059 -0.102 0.000 0.892 254 L HN 0.281 nan 8.230 nan 0.000 0.431 255 R N 0.403 120.797 120.500 -0.177 0.000 2.091 255 R HA -0.204 4.140 4.340 0.007 0.000 0.238 255 R C 2.237 178.520 176.300 -0.027 0.000 1.136 255 R CA 1.613 57.609 56.100 -0.173 0.000 0.959 255 R CB -0.269 29.836 30.300 -0.325 0.000 0.856 255 R HN 0.311 nan 8.270 nan 0.000 0.437 256 I N 0.623 121.228 120.570 0.058 0.000 2.142 256 I HA -0.265 3.909 4.170 0.007 0.000 0.240 256 I C 2.603 178.750 176.117 0.050 0.000 1.078 256 I CA 1.333 62.696 61.300 0.104 0.000 1.343 256 I CB -0.457 37.613 38.000 0.116 0.000 1.046 256 I HN 0.320 nan 8.210 nan 0.000 0.405 257 A N 0.721 123.554 122.820 0.023 0.000 1.892 257 A HA -0.294 4.031 4.320 0.007 0.000 0.218 257 A C 2.470 180.055 177.584 0.002 0.000 1.188 257 A CA 2.132 54.175 52.037 0.009 0.000 0.631 257 A CB -0.740 18.259 19.000 -0.002 0.000 0.822 257 A HN 0.386 nan 8.150 nan 0.000 0.447 258 R N -0.354 120.138 120.500 -0.013 0.000 2.066 258 R HA -0.094 4.250 4.340 0.007 0.000 0.232 258 R C 1.586 177.882 176.300 -0.007 0.000 1.131 258 R CA 1.761 57.849 56.100 -0.021 0.000 0.955 258 R CB -0.215 30.054 30.300 -0.051 0.000 0.851 258 R HN 0.646 nan 8.270 nan 0.000 0.432 259 E N -1.126 119.077 120.200 0.006 0.000 2.479 259 E HA 0.100 4.454 4.350 0.007 0.000 0.193 259 E C 0.322 176.951 176.600 0.048 0.000 1.049 259 E CA 0.336 56.752 56.400 0.027 0.000 0.870 259 E CB 0.688 30.412 29.700 0.039 0.000 0.944 259 E HN 0.642 nan 8.360 nan 0.000 0.492 260 G N 1.920 110.746 108.800 0.044 0.000 2.273 260 G HA2 -0.325 3.639 3.960 0.007 0.000 0.280 260 G HA3 -0.325 3.639 3.960 0.007 0.000 0.280 260 G C 0.842 175.779 174.900 0.062 0.000 1.047 260 G CA 0.737 45.865 45.100 0.046 0.000 0.869 260 G HN 0.279 nan 8.290 nan 0.000 0.502 261 T N -0.841 113.767 114.554 0.089 0.000 2.867 261 T HA 0.385 4.739 4.350 0.007 0.000 0.268 261 T C 1.312 176.040 174.700 0.048 0.000 1.057 261 T CA 2.172 64.336 62.100 0.107 0.000 1.136 261 T CB 0.082 69.073 68.868 0.205 0.000 0.874 261 T HN 1.802 nan 8.240 nan 0.000 0.466 262 A N 0.363 123.208 122.820 0.042 0.000 2.581 262 A HA 0.655 4.979 4.320 0.007 0.000 0.290 262 A C 0.623 178.226 177.584 0.032 0.000 1.119 262 A CA -0.068 51.981 52.037 0.020 0.000 0.670 262 A CB 0.707 19.705 19.000 -0.003 0.000 1.280 262 A HN 0.120 nan 8.150 nan 0.000 0.425 263 S N -1.282 114.439 115.700 0.035 0.000 2.603 263 S HA 0.496 4.970 4.470 0.007 0.000 0.232 263 S C -0.104 174.527 174.600 0.052 0.000 1.016 263 S CA 0.293 58.520 58.200 0.046 0.000 0.976 263 S CB 0.095 63.331 63.200 0.060 0.000 0.921 263 S HN 1.162 nan 8.310 nan 0.000 0.516 264 V N 2.516 122.456 119.914 0.042 0.000 2.851 264 V HA 0.493 4.617 4.120 0.007 0.000 0.307 264 V C -1.389 174.718 176.094 0.022 0.000 1.129 264 V CA -0.856 61.476 62.300 0.053 0.000 0.932 264 V CB 2.062 33.936 31.823 0.084 0.000 1.024 264 V HN 0.327 nan 8.190 nan 0.000 0.426 265 I N 3.384 123.964 120.570 0.018 0.000 2.354 265 I HA 0.385 4.559 4.170 0.007 0.000 0.292 265 I C -0.052 176.089 176.117 0.041 0.000 0.989 265 I CA -0.522 60.788 61.300 0.017 0.000 1.188 265 I CB 1.521 39.525 38.000 0.007 0.000 1.342 265 I HN 0.608 nan 8.210 nan 0.000 0.457 266 N N 6.652 125.378 118.700 0.044 0.000 2.406 266 N HA 0.324 5.068 4.740 0.007 0.000 0.251 266 N C -0.715 174.853 175.510 0.097 0.000 1.069 266 N CA -0.157 52.940 53.050 0.078 0.000 0.947 266 N CB 0.459 38.967 38.487 0.035 0.000 1.111 266 N HN 0.453 nan 8.380 nan 0.000 0.497 267 I N 3.322 123.989 120.570 0.162 0.000 2.352 267 I HA 0.154 4.329 4.170 0.007 0.000 0.290 267 I C 0.330 176.521 176.117 0.122 0.000 1.036 267 I CA -0.095 61.298 61.300 0.156 0.000 1.336 267 I CB 0.576 38.705 38.000 0.215 0.000 1.407 267 I HN 0.219 nan 8.210 nan 0.000 0.497 268 K N 7.497 127.950 120.400 0.087 0.000 2.521 268 K HA 0.331 4.655 4.320 0.007 0.000 0.248 268 K C 0.554 177.190 176.600 0.061 0.000 0.978 268 K CA -0.464 55.861 56.287 0.065 0.000 0.947 268 K CB 1.626 34.152 32.500 0.043 0.000 1.165 268 K HN 0.595 nan 8.250 nan 0.000 0.445 269 L N 1.727 122.989 121.223 0.066 0.000 2.131 269 L HA -0.178 4.166 4.340 0.007 0.000 0.210 269 L C 2.249 179.132 176.870 0.022 0.000 1.092 269 L CA 1.065 55.941 54.840 0.060 0.000 0.759 269 L CB -0.286 41.821 42.059 0.081 0.000 0.903 269 L HN 0.627 nan 8.230 nan 0.000 0.435 270 M N -0.463 119.142 119.600 0.008 0.000 2.279 270 M HA -0.168 4.316 4.480 0.007 0.000 0.264 270 M C 2.031 178.330 176.300 -0.002 0.000 1.062 270 M CA 1.743 57.038 55.300 -0.007 0.000 1.099 270 M CB -0.175 32.423 32.600 -0.004 0.000 1.394 270 M HN -0.046 nan 8.290 nan 0.000 0.426 271 K N -1.498 118.909 120.400 0.012 0.000 2.244 271 K HA 0.293 4.617 4.320 0.007 0.000 0.200 271 K C 1.841 178.445 176.600 0.007 0.000 1.052 271 K CA 1.171 57.463 56.287 0.009 0.000 0.980 271 K CB -0.339 32.173 32.500 0.020 0.000 0.838 271 K HN 0.318 nan 8.250 nan 0.000 0.481 272 A N 0.833 123.672 122.820 0.031 0.000 2.081 272 A HA 0.337 4.661 4.320 0.007 0.000 0.214 272 A C 0.771 178.387 177.584 0.054 0.000 1.158 272 A CA 1.024 53.093 52.037 0.052 0.000 0.724 272 A CB -0.103 18.943 19.000 0.077 0.000 0.826 272 A HN 0.333 nan 8.150 nan 0.000 0.463 273 G N -2.076 106.750 108.800 0.043 0.000 2.690 273 G HA2 -0.015 3.949 3.960 0.007 0.000 0.686 273 G HA3 -0.015 3.949 3.960 0.007 0.000 0.686 273 G C 0.386 175.348 174.900 0.102 0.000 1.277 273 G CA -0.406 44.730 45.100 0.060 0.000 0.799 273 G HN 0.653 nan 8.290 nan 0.000 0.613 274 V N 1.574 121.565 119.914 0.128 0.000 2.302 274 V HA 0.069 4.193 4.120 0.007 0.000 0.243 274 V C 3.316 179.572 176.094 0.270 0.000 1.036 274 V CA 3.130 65.559 62.300 0.215 0.000 1.020 274 V CB -1.222 30.759 31.823 0.265 0.000 0.657 274 V HN 1.772 nan 8.190 nan 0.000 0.453 275 A N -0.070 122.927 122.820 0.294 0.000 1.902 275 A HA -0.264 4.060 4.320 0.007 0.000 0.217 275 A C 2.160 179.868 177.584 0.206 0.000 1.181 275 A CA 2.168 54.390 52.037 0.308 0.000 0.623 275 A CB -0.536 18.623 19.000 0.265 0.000 0.818 275 A HN 0.553 nan 8.150 nan 0.000 0.443 276 E N -0.121 120.178 120.200 0.165 0.000 2.077 276 E HA -0.060 4.295 4.350 0.007 0.000 0.193 276 E C 2.039 178.718 176.600 0.132 0.000 0.989 276 E CA 1.470 57.952 56.400 0.136 0.000 0.800 276 E CB -0.789 28.988 29.700 0.128 0.000 0.746 276 E HN 0.431 nan 8.360 nan 0.000 0.452 277 G N 0.885 109.767 108.800 0.137 0.000 2.513 277 G HA2 -0.288 3.676 3.960 0.007 0.000 0.219 277 G HA3 -0.288 3.676 3.960 0.007 0.000 0.219 277 G C 1.552 176.524 174.900 0.121 0.000 1.160 277 G CA 1.283 46.460 45.100 0.127 0.000 0.767 277 G HN 0.315 nan 8.290 nan 0.000 0.571 278 L N -0.075 121.231 121.223 0.138 0.000 2.042 278 L HA -0.091 4.253 4.340 0.007 0.000 0.210 278 L C 2.942 179.881 176.870 0.115 0.000 1.076 278 L CA 1.584 56.501 54.840 0.129 0.000 0.749 278 L CB -0.414 41.776 42.059 0.217 0.000 0.893 278 L HN 0.195 nan 8.230 nan 0.000 0.432 279 K N -0.054 120.416 120.400 0.116 0.000 2.057 279 K HA -0.117 4.207 4.320 0.007 0.000 0.206 279 K C 2.138 178.782 176.600 0.074 0.000 1.050 279 K CA 1.369 57.709 56.287 0.090 0.000 0.935 279 K CB -0.212 32.341 32.500 0.089 0.000 0.715 279 K HN 0.226 nan 8.250 nan 0.000 0.439 280 M N 0.404 120.052 119.600 0.080 0.000 2.213 280 M HA -0.154 4.330 4.480 0.007 0.000 0.263 280 M C 2.062 178.385 176.300 0.038 0.000 1.062 280 M CA 1.486 56.826 55.300 0.065 0.000 1.105 280 M CB -0.286 32.362 32.600 0.080 0.000 1.385 280 M HN 0.104 nan 8.290 nan 0.000 0.417 281 I N -0.125 120.472 120.570 0.045 0.000 2.252 281 I HA -0.221 3.953 4.170 0.007 0.000 0.245 281 I C 2.678 178.790 176.117 -0.007 0.000 1.102 281 I CA 1.205 62.510 61.300 0.008 0.000 1.385 281 I CB -0.457 37.588 38.000 0.075 0.000 1.064 281 I HN 0.229 nan 8.210 nan 0.000 0.414 282 A N 0.832 123.666 122.820 0.025 0.000 1.902 282 A HA -0.170 4.154 4.320 0.007 0.000 0.217 282 A C 2.281 179.870 177.584 0.008 0.000 1.181 282 A CA 1.595 53.644 52.037 0.021 0.000 0.623 282 A CB -0.844 18.179 19.000 0.038 0.000 0.818 282 A HN 0.383 nan 8.150 nan 0.000 0.443 283 I N -0.311 120.267 120.570 0.014 0.000 2.252 283 I HA -0.227 3.947 4.170 0.007 0.000 0.245 283 I C 2.975 179.089 176.117 -0.005 0.000 1.102 283 I CA 0.938 62.243 61.300 0.009 0.000 1.385 283 I CB -0.372 37.640 38.000 0.020 0.000 1.064 283 I HN 0.336 nan 8.210 nan 0.000 0.414 284 A N 0.327 123.137 122.820 -0.016 0.000 1.892 284 A HA -0.292 4.032 4.320 0.007 0.000 0.218 284 A C 2.288 179.845 177.584 -0.046 0.000 1.188 284 A CA 1.827 53.843 52.037 -0.037 0.000 0.631 284 A CB -0.715 18.243 19.000 -0.070 0.000 0.822 284 A HN 0.486 nan 8.150 nan 0.000 0.447 285 Q N -0.945 118.822 119.800 -0.054 0.000 2.084 285 Q HA -0.118 4.226 4.340 0.007 0.000 0.202 285 Q C 2.466 178.451 176.000 -0.025 0.000 0.978 285 Q CA 1.377 57.152 55.803 -0.048 0.000 0.844 285 Q CB -0.373 28.339 28.738 -0.043 0.000 0.898 285 Q HN 0.700 nan 8.270 nan 0.000 0.426 286 A N 1.003 123.814 122.820 -0.015 0.000 1.930 286 A HA -0.053 4.271 4.320 0.007 0.000 0.217 286 A C 2.161 179.740 177.584 -0.008 0.000 1.175 286 A CA 1.505 53.537 52.037 -0.008 0.000 0.627 286 A CB -0.513 18.486 19.000 -0.002 0.000 0.815 286 A HN 0.373 nan 8.150 nan 0.000 0.443 287 A N -1.705 121.110 122.820 -0.009 0.000 2.238 287 A HA 0.403 4.727 4.320 0.007 0.000 0.208 287 A C 1.745 179.325 177.584 -0.007 0.000 1.177 287 A CA 1.178 53.211 52.037 -0.006 0.000 0.804 287 A CB -1.002 17.996 19.000 -0.004 0.000 0.823 287 A HN 1.906 nan 8.150 nan 0.000 0.482 288 G N -1.041 107.751 108.800 -0.012 0.000 2.147 288 G HA2 -0.215 3.749 3.960 0.007 0.000 0.244 288 G HA3 -0.215 3.749 3.960 0.007 0.000 0.244 288 G C 0.029 174.923 174.900 -0.009 0.000 1.005 288 G CA 0.369 45.462 45.100 -0.012 0.000 0.713 288 G HN 0.441 nan 8.290 nan 0.000 0.515 289 L N 0.342 121.556 121.223 -0.016 0.000 2.399 289 L HA 0.619 4.963 4.340 0.007 0.000 0.266 289 L C 1.481 178.337 176.870 -0.023 0.000 1.114 289 L CA -0.242 54.593 54.840 -0.009 0.000 0.804 289 L CB 0.993 43.046 42.059 -0.010 0.000 1.146 289 L HN 0.223 nan 8.230 nan 0.000 0.451 290 G N 2.055 110.863 108.800 0.013 0.000 2.572 290 G HA2 0.530 4.495 3.960 0.007 0.000 0.261 290 G HA3 0.530 4.495 3.960 0.007 0.000 0.261 290 G C -0.850 174.042 174.900 -0.014 0.000 1.197 290 G CA -0.500 44.617 45.100 0.029 0.000 0.870 290 G HN 0.405 nan 8.290 nan 0.000 0.548 291 L N 0.631 121.814 121.223 -0.067 0.000 2.385 291 L HA 0.586 4.930 4.340 0.007 0.000 0.273 291 L C -0.156 176.762 176.870 0.079 0.000 0.990 291 L CA -0.578 54.124 54.840 -0.229 0.000 0.821 291 L CB 2.266 43.789 42.059 -0.893 0.000 1.279 291 L HN 0.542 nan 8.230 nan 0.000 0.412 292 M N 3.978 123.711 119.600 0.222 0.000 2.464 292 M HA 0.589 5.073 4.480 0.007 0.000 0.308 292 M C -1.830 174.753 176.300 0.472 0.000 1.127 292 M CA -0.620 54.927 55.300 0.413 0.000 0.913 292 M CB 2.599 35.361 32.600 0.270 0.000 1.689 292 M HN 0.559 nan 8.290 nan 0.000 0.445 293 I N 3.631 124.458 120.570 0.428 0.000 2.441 293 I HA 0.867 5.041 4.170 0.007 0.000 0.295 293 I C -0.336 175.852 176.117 0.119 0.000 0.994 293 I CA 0.149 61.579 61.300 0.216 0.000 1.144 293 I CB 1.746 39.689 38.000 -0.095 0.000 1.314 293 I HN 0.807 nan 8.210 nan 0.000 0.445 294 G N 3.642 112.498 108.800 0.094 0.000 3.003 294 G HA2 0.849 4.813 3.960 0.007 0.000 0.243 294 G HA3 0.849 4.813 3.960 0.007 0.000 0.243 294 G C -0.778 174.153 174.900 0.051 0.000 1.176 294 G CA -0.311 44.828 45.100 0.066 0.000 0.812 294 G HN 0.996 nan 8.290 nan 0.000 0.584 295 G N -1.925 106.897 108.800 0.037 0.000 2.489 295 G HA2 0.505 4.469 3.960 0.007 0.000 0.305 295 G HA3 0.505 4.469 3.960 0.007 0.000 0.305 295 G C -0.432 174.469 174.900 0.003 0.000 1.311 295 G CA -0.490 44.622 45.100 0.020 0.000 0.813 295 G HN 0.476 nan 8.290 nan 0.000 0.480 296 M N -0.657 118.935 119.600 -0.014 0.000 2.297 296 M HA 0.422 4.906 4.480 0.007 0.000 0.211 296 M C 0.720 176.961 176.300 -0.098 0.000 0.897 296 M CA -0.411 54.870 55.300 -0.031 0.000 1.820 296 M CB -0.410 32.191 32.600 0.002 0.000 1.104 296 M HN 0.198 nan 8.290 nan 0.000 0.886 297 V N 1.474 121.318 119.914 -0.118 0.000 2.304 297 V HA 0.246 4.371 4.120 0.007 0.000 0.262 297 V C -0.455 175.567 176.094 -0.120 0.000 1.061 297 V CA -0.341 61.824 62.300 -0.224 0.000 0.872 297 V CB -0.743 30.935 31.823 -0.242 0.000 1.077 297 V HN 0.546 nan 8.190 nan 0.000 0.480 298 E N 2.338 122.469 120.200 -0.115 0.000 2.256 298 E HA 0.557 4.911 4.350 0.007 0.000 0.267 298 E C 0.088 176.648 176.600 -0.067 0.000 0.892 298 E CA -0.550 55.811 56.400 -0.066 0.000 0.775 298 E CB 2.130 31.797 29.700 -0.055 0.000 1.207 298 E HN 0.688 nan 8.360 nan 0.000 0.420 299 S N 1.543 117.214 115.700 -0.048 0.000 2.625 299 S HA 0.122 4.596 4.470 0.007 0.000 0.258 299 S C 1.134 175.626 174.600 -0.180 0.000 1.256 299 S CA -0.348 57.807 58.200 -0.074 0.000 0.983 299 S CB 0.297 63.555 63.200 0.096 0.000 1.032 299 S HN 0.665 nan 8.310 nan 0.000 0.572 300 I N 0.149 120.543 120.570 -0.294 0.000 3.001 300 I HA -0.020 4.154 4.170 0.007 0.000 0.268 300 I C 1.923 177.753 176.117 -0.478 0.000 1.267 300 I CA 0.408 61.445 61.300 -0.439 0.000 1.472 300 I CB -0.233 37.438 38.000 -0.548 0.000 1.089 300 I HN 0.647 nan 8.210 nan 0.000 0.468 301 L N 0.835 121.719 121.223 -0.565 0.000 2.044 301 L HA -0.038 4.306 4.340 0.007 0.000 0.205 301 L C 2.386 178.983 176.870 -0.455 0.000 1.075 301 L CA 2.303 56.706 54.840 -0.727 0.000 0.747 301 L CB -0.791 40.565 42.059 -1.172 0.000 0.903 301 L HN 0.162 nan 8.230 nan 0.000 0.435 302 A N -1.072 121.577 122.820 -0.285 0.000 1.975 302 A HA -0.034 4.291 4.320 0.007 0.000 0.215 302 A C 2.167 179.743 177.584 -0.014 0.000 1.170 302 A CA 1.320 53.275 52.037 -0.137 0.000 0.656 302 A CB -0.415 18.518 19.000 -0.112 0.000 0.821 302 A HN 0.469 nan 8.150 nan 0.000 0.449 303 M N -0.151 119.436 119.600 -0.022 0.000 2.319 303 M HA -0.046 4.438 4.480 0.007 0.000 0.265 303 M C 2.042 178.520 176.300 0.296 0.000 1.068 303 M CA 1.114 56.496 55.300 0.136 0.000 1.118 303 M CB -0.676 32.036 32.600 0.188 0.000 1.395 303 M HN 0.407 nan 8.290 nan 0.000 0.435 304 S N 0.365 116.115 115.700 0.083 0.000 2.377 304 S HA -0.061 4.414 4.470 0.007 0.000 0.223 304 S C 1.595 176.303 174.600 0.181 0.000 1.030 304 S CA 0.648 58.928 58.200 0.133 0.000 0.970 304 S CB -0.352 62.747 63.200 -0.167 0.000 0.830 304 S HN 0.392 nan 8.310 nan 0.000 0.473 305 F N 2.708 122.657 119.950 -0.001 0.000 2.126 305 F HA -0.144 4.387 4.527 0.007 0.000 0.299 305 F C 2.427 178.293 175.800 0.109 0.000 1.096 305 F CA 1.255 59.318 58.000 0.104 0.000 1.255 305 F CB -0.493 38.549 39.000 0.069 0.000 0.997 305 F HN 0.085 nan 8.300 nan 0.000 0.479 306 S N 0.094 115.977 115.700 0.304 0.000 2.383 306 S HA -0.124 4.350 4.470 0.007 0.000 0.227 306 S C 2.298 176.888 174.600 -0.017 0.000 1.026 306 S CA 0.928 59.204 58.200 0.128 0.000 0.981 306 S CB -0.739 62.518 63.200 0.095 0.000 0.818 306 S HN 0.512 nan 8.310 nan 0.000 0.472 307 A N 2.435 125.283 122.820 0.045 0.000 1.902 307 A HA -0.127 4.197 4.320 0.007 0.000 0.217 307 A C 1.918 179.479 177.584 -0.038 0.000 1.181 307 A CA 1.314 53.335 52.037 -0.027 0.000 0.623 307 A CB -0.736 18.306 19.000 0.070 0.000 0.818 307 A HN 0.529 nan 8.150 nan 0.000 0.443 308 N N -0.475 118.243 118.700 0.030 0.000 2.149 308 N HA -0.180 4.564 4.740 0.007 0.000 0.188 308 N C 1.710 177.304 175.510 0.140 0.000 1.019 308 N CA 1.681 54.783 53.050 0.087 0.000 0.857 308 N CB -0.228 38.316 38.487 0.095 0.000 0.997 308 N HN 0.441 nan 8.380 nan 0.000 0.426 309 L N 1.270 122.483 121.223 -0.016 0.000 2.023 309 L HA 0.022 4.367 4.340 0.007 0.000 0.205 309 L C 2.275 178.990 176.870 -0.259 0.000 1.073 309 L CA 1.555 56.248 54.840 -0.244 0.000 0.745 309 L CB -0.896 40.849 42.059 -0.524 0.000 0.900 309 L HN 0.021 nan 8.230 nan 0.000 0.435 310 A N -0.393 122.160 122.820 -0.445 0.000 1.902 310 A HA -0.047 4.278 4.320 0.007 0.000 0.217 310 A C 2.407 179.822 177.584 -0.281 0.000 1.181 310 A CA 1.829 53.383 52.037 -0.805 0.000 0.623 310 A CB -1.156 17.223 19.000 -1.035 0.000 0.818 310 A HN 0.595 nan 8.150 nan 0.000 0.443 311 A N -0.659 122.072 122.820 -0.148 0.000 1.897 311 A HA 0.230 4.554 4.320 0.007 0.000 0.215 311 A C 2.369 179.987 177.584 0.056 0.000 1.181 311 A CA 1.703 53.718 52.037 -0.036 0.000 0.620 311 A CB -1.223 17.745 19.000 -0.053 0.000 0.821 311 A HN 0.652 nan 8.150 nan 0.000 0.443 312 G N -0.118 108.747 108.800 0.109 0.000 2.404 312 G HA2 -0.273 3.692 3.960 0.007 0.000 0.215 312 G HA3 -0.273 3.692 3.960 0.007 0.000 0.215 312 G C 1.570 176.563 174.900 0.155 0.000 1.174 312 G CA 1.008 46.220 45.100 0.186 0.000 0.780 312 G HN 0.567 nan 8.290 nan 0.000 0.537 313 N N 1.096 119.883 118.700 0.145 0.000 2.188 313 N HA 0.045 4.789 4.740 0.007 0.000 0.184 313 N C 1.290 176.896 175.510 0.161 0.000 1.018 313 N CA 1.344 54.489 53.050 0.158 0.000 0.858 313 N CB -0.032 38.574 38.487 0.199 0.000 0.989 313 N HN 0.451 nan 8.380 nan 0.000 0.426 314 G N -1.582 107.330 108.800 0.186 0.000 2.829 314 G HA2 0.025 3.989 3.960 0.007 0.000 0.628 314 G HA3 0.025 3.989 3.960 0.007 0.000 0.628 314 G C 0.509 175.561 174.900 0.253 0.000 1.412 314 G CA -0.147 45.060 45.100 0.179 0.000 0.864 314 G HN 0.972 nan 8.290 nan 0.000 0.544 315 G N -1.932 106.963 108.800 0.159 0.000 2.175 315 G HA2 -0.067 3.897 3.960 0.007 0.000 0.244 315 G HA3 -0.067 3.897 3.960 0.007 0.000 0.244 315 G C 0.341 175.228 174.900 -0.022 0.000 0.982 315 G CA 0.758 45.883 45.100 0.043 0.000 0.641 315 G HN 1.529 nan 8.290 nan 0.000 0.527 316 F N 1.777 121.712 119.950 -0.024 0.000 2.390 316 F HA 0.398 4.929 4.527 0.006 0.000 0.361 316 F C 1.203 176.950 175.800 -0.089 0.000 1.124 316 F CA -0.691 57.297 58.000 -0.021 0.000 1.149 316 F CB 1.144 40.144 39.000 0.001 0.000 1.160 316 F HN -0.092 nan 8.300 nan 0.000 0.501 317 D N 2.786 123.142 120.400 -0.075 0.000 2.224 317 D HA -0.066 4.578 4.640 0.007 0.000 0.205 317 D C -0.075 175.902 176.300 -0.539 0.000 0.965 317 D CA 1.376 55.139 54.000 -0.396 0.000 0.852 317 D CB 0.143 40.519 40.800 -0.707 0.000 0.947 317 D HN 0.166 nan 8.370 nan 0.000 0.494 318 F N 0.721 120.748 119.950 0.128 0.000 2.493 318 F HA 0.378 4.910 4.527 0.007 0.000 0.329 318 F C 0.059 175.937 175.800 0.129 0.000 1.126 318 F CA -1.009 57.057 58.000 0.109 0.000 0.937 318 F CB 1.766 40.820 39.000 0.091 0.000 1.146 318 F HN -0.322 nan 8.300 nan 0.000 0.442 319 I N 2.420 123.129 120.570 0.231 0.000 2.389 319 I HA 0.255 4.429 4.170 0.007 0.000 0.288 319 I C -0.817 175.363 176.117 0.106 0.000 0.999 319 I CA -0.519 60.849 61.300 0.115 0.000 1.129 319 I CB 1.638 39.645 38.000 0.012 0.000 1.288 319 I HN 0.549 nan 8.210 nan 0.000 0.444 320 D N 7.265 127.718 120.400 0.089 0.000 2.613 320 D HA 0.353 4.998 4.640 0.007 0.000 0.312 320 D C -0.687 175.653 176.300 0.066 0.000 1.202 320 D CA -0.060 53.993 54.000 0.089 0.000 0.825 320 D CB 0.233 41.092 40.800 0.098 0.000 1.113 320 D HN 0.419 nan 8.370 nan 0.000 0.502 321 L N 2.248 123.493 121.223 0.037 0.000 2.892 321 L HA 0.338 4.682 4.340 0.007 0.000 0.251 321 L C 0.384 177.298 176.870 0.073 0.000 1.339 321 L CA -0.226 54.633 54.840 0.031 0.000 0.900 321 L CB 0.741 42.765 42.059 -0.059 0.000 1.246 321 L HN 0.197 nan 8.230 nan 0.000 0.524 322 D N -2.127 118.349 120.400 0.128 0.000 2.469 322 D HA -0.075 4.569 4.640 0.007 0.000 0.213 322 D C 1.526 177.995 176.300 0.282 0.000 1.135 322 D CA 0.615 54.735 54.000 0.200 0.000 0.834 322 D CB 0.210 41.165 40.800 0.258 0.000 1.009 322 D HN 0.307 nan 8.370 nan 0.000 0.507 323 T N -1.307 113.338 114.554 0.151 0.000 2.915 323 T HA -0.011 4.343 4.350 0.007 0.000 0.269 323 T C -0.760 173.994 174.700 0.090 0.000 1.071 323 T CA 0.654 62.783 62.100 0.047 0.000 1.132 323 T CB -1.129 67.585 68.868 -0.257 0.000 0.878 323 T HN -0.018 nan 8.240 nan 0.000 0.479 324 P HA -0.006 nan 4.420 nan 0.000 0.217 324 P C 1.510 178.831 177.300 0.035 0.000 1.148 324 P CA 0.886 63.994 63.100 0.014 0.000 0.828 324 P CB -0.323 31.389 31.700 0.020 0.000 0.783 325 L N -3.241 118.016 121.223 0.058 0.000 2.353 325 L HA -0.091 4.253 4.340 0.007 0.000 0.220 325 L C 1.492 178.227 176.870 -0.225 0.000 1.133 325 L CA 1.098 55.887 54.840 -0.086 0.000 0.798 325 L CB -0.644 41.317 42.059 -0.162 0.000 0.922 325 L HN -0.030 nan 8.230 nan 0.000 0.445 326 F N -0.796 119.162 119.950 0.012 0.000 2.695 326 F HA 0.261 4.793 4.527 0.007 0.000 0.303 326 F C 0.959 176.761 175.800 0.003 0.000 1.091 326 F CA -0.231 57.783 58.000 0.023 0.000 1.300 326 F CB 0.383 39.386 39.000 0.005 0.000 1.071 326 F HN -0.152 nan 8.300 nan 0.000 0.578 327 I N 0.152 120.797 120.570 0.125 0.000 2.331 327 I HA 0.249 4.424 4.170 0.007 0.000 0.292 327 I C 1.145 177.327 176.117 0.109 0.000 0.998 327 I CA -0.395 60.964 61.300 0.098 0.000 1.267 327 I CB 1.679 39.712 38.000 0.055 0.000 1.386 327 I HN 0.041 nan 8.210 nan 0.000 0.476 328 A N 5.870 128.751 122.820 0.102 0.000 1.874 328 A HA -0.026 4.298 4.320 0.007 0.000 0.214 328 A C 0.474 178.109 177.584 0.086 0.000 1.189 328 A CA 1.139 53.225 52.037 0.082 0.000 0.615 328 A CB -0.051 18.986 19.000 0.062 0.000 0.830 328 A HN 0.837 nan 8.150 nan 0.000 0.443 329 E N -0.731 119.525 120.200 0.092 0.000 2.366 329 E HA 0.584 4.938 4.350 0.007 0.000 0.278 329 E C -0.863 175.784 176.600 0.079 0.000 0.923 329 E CA -0.827 55.600 56.400 0.044 0.000 0.761 329 E CB 1.126 30.805 29.700 -0.034 0.000 1.231 329 E HN 0.526 nan 8.360 nan 0.000 0.443 330 H N 0.061 119.102 119.070 -0.047 0.000 2.996 330 H HA 0.412 4.972 4.556 0.007 0.000 0.368 330 H C -2.631 172.581 175.328 -0.194 0.000 1.185 330 H CA -2.124 53.867 56.048 -0.095 0.000 1.160 330 H CB 1.647 31.418 29.762 0.015 0.000 1.820 330 H HN 0.482 nan 8.280 nan 0.000 0.547 331 P HA 0.225 nan 4.420 nan 0.000 0.253 331 P C -0.724 176.300 177.300 -0.460 0.000 1.459 331 P CA -0.012 62.816 63.100 -0.453 0.000 0.908 331 P CB -0.329 31.060 31.700 -0.520 0.000 1.470 332 F N 1.231 121.243 119.950 0.104 0.000 2.507 332 F HA 0.526 5.058 4.527 0.007 0.000 0.327 332 F C 0.980 176.837 175.800 0.096 0.000 1.068 332 F CA -1.526 56.538 58.000 0.107 0.000 0.965 332 F CB 1.645 40.704 39.000 0.097 0.000 1.192 332 F HN -0.260 nan 8.300 nan 0.000 0.476 333 I N -0.252 120.475 120.570 0.261 0.000 2.689 333 I HA 0.988 5.163 4.170 0.007 0.000 0.299 333 I C 0.153 176.330 176.117 0.100 0.000 1.059 333 I CA -0.702 60.684 61.300 0.142 0.000 1.055 333 I CB 1.674 39.723 38.000 0.082 0.000 1.243 333 I HN 0.810 nan 8.210 nan 0.000 0.425 334 G N 2.875 111.709 108.800 0.056 0.000 2.481 334 G HA2 0.344 4.308 3.960 0.007 0.000 0.230 334 G HA3 0.344 4.308 3.960 0.007 0.000 0.230 334 G C 0.338 175.203 174.900 -0.057 0.000 1.210 334 G CA -0.026 45.085 45.100 0.018 0.000 0.936 334 G HN 2.551 nan 8.290 nan 0.000 0.583 335 G N -1.291 107.464 108.800 -0.075 0.000 2.593 335 G HA2 0.389 4.353 3.960 0.007 0.000 0.237 335 G HA3 0.389 4.353 3.960 0.007 0.000 0.237 335 G C 0.267 175.092 174.900 -0.125 0.000 1.312 335 G CA 0.777 45.760 45.100 -0.196 0.000 0.896 335 G HN 2.341 nan 8.290 nan 0.000 0.574 336 F N 0.113 120.046 119.950 -0.027 0.000 2.471 336 F HA 0.685 5.216 4.527 0.007 0.000 0.353 336 F C 0.682 176.472 175.800 -0.017 0.000 1.113 336 F CA -0.943 57.037 58.000 -0.034 0.000 1.262 336 F CB 0.256 39.227 39.000 -0.050 0.000 1.146 336 F HN 1.181 nan 8.300 nan 0.000 0.578 337 A N 3.741 126.697 122.820 0.227 0.000 2.366 337 A HA 0.415 4.739 4.320 0.007 0.000 0.272 337 A C -0.271 177.438 177.584 0.208 0.000 1.135 337 A CA -0.576 51.561 52.037 0.168 0.000 0.804 337 A CB 0.385 19.440 19.000 0.091 0.000 1.064 337 A HN 0.921 nan 8.150 nan 0.000 0.499 338 Q N 1.587 121.506 119.800 0.199 0.000 2.333 338 Q HA 0.604 4.948 4.340 0.007 0.000 0.267 338 Q C -1.316 174.727 176.000 0.072 0.000 1.012 338 Q CA -0.351 55.536 55.803 0.140 0.000 0.824 338 Q CB 1.581 30.439 28.738 0.199 0.000 1.290 338 Q HN 0.579 nan 8.270 nan 0.000 0.449 339 T N 3.366 117.941 114.554 0.035 0.000 2.965 339 T HA 0.567 4.922 4.350 0.007 0.000 0.306 339 T C 0.204 174.909 174.700 0.008 0.000 0.991 339 T CA 0.066 62.179 62.100 0.022 0.000 1.001 339 T CB 1.181 70.060 68.868 0.019 0.000 0.984 339 T HN 1.037 nan 8.240 nan 0.000 0.446 340 G N 3.570 112.376 108.800 0.009 0.000 2.602 340 G HA2 -0.250 3.714 3.960 0.007 0.000 0.310 340 G HA3 -0.250 3.714 3.960 0.007 0.000 0.310 340 G C 1.064 175.963 174.900 -0.003 0.000 1.183 340 G CA 0.425 45.527 45.100 0.003 0.000 0.979 340 G HN 1.253 nan 8.290 nan 0.000 0.545 341 G N -0.178 108.616 108.800 -0.010 0.000 3.126 341 G HA2 0.448 4.412 3.960 0.007 0.000 0.224 341 G HA3 0.448 4.412 3.960 0.007 0.000 0.224 341 G C 0.568 175.435 174.900 -0.056 0.000 1.142 341 G CA 1.331 46.417 45.100 -0.023 0.000 0.759 341 G HN 0.991 nan 8.290 nan 0.000 0.550 342 T N 1.815 116.340 114.554 -0.048 0.000 2.780 342 T HA 0.500 4.854 4.350 0.007 0.000 0.294 342 T C -0.211 174.432 174.700 -0.095 0.000 0.949 342 T CA 0.024 62.086 62.100 -0.064 0.000 1.074 342 T CB 1.550 70.398 68.868 -0.033 0.000 0.910 342 T HN -0.021 nan 8.240 nan 0.000 0.501 343 L N 3.622 124.747 121.223 -0.163 0.000 2.294 343 L HA 0.487 4.831 4.340 0.007 0.000 0.283 343 L C -0.042 176.754 176.870 -0.125 0.000 1.015 343 L CA -0.939 53.752 54.840 -0.247 0.000 0.831 343 L CB 1.334 43.021 42.059 -0.620 0.000 1.217 343 L HN 0.466 nan 8.230 nan 0.000 0.420 344 Q N 3.031 122.820 119.800 -0.020 0.000 2.290 344 Q HA 0.547 4.891 4.340 0.007 0.000 0.259 344 Q C -1.209 174.799 176.000 0.013 0.000 0.941 344 Q CA -0.379 55.419 55.803 -0.008 0.000 0.912 344 Q CB 1.525 30.269 28.738 0.011 0.000 1.244 344 Q HN 0.396 nan 8.270 nan 0.000 0.441 345 L N 2.325 123.507 121.223 -0.068 0.000 2.360 345 L HA 0.879 5.223 4.340 0.007 0.000 0.271 345 L C -0.246 176.565 176.870 -0.098 0.000 1.057 345 L CA -0.399 54.356 54.840 -0.141 0.000 0.803 345 L CB 1.371 43.160 42.059 -0.450 0.000 1.207 345 L HN 0.822 nan 8.230 nan 0.000 0.445 346 A N 0.637 123.437 122.820 -0.033 0.000 2.350 346 A HA 0.576 4.901 4.320 0.007 0.000 0.318 346 A C -0.697 176.984 177.584 0.161 0.000 1.132 346 A CA -0.597 51.473 52.037 0.056 0.000 0.811 346 A CB 0.444 19.476 19.000 0.052 0.000 1.313 346 A HN 0.706 nan 8.150 nan 0.000 0.454 347 D N 0.733 121.214 120.400 0.136 0.000 2.597 347 D HA 0.386 5.031 4.640 0.007 0.000 0.228 347 D C -0.689 175.665 176.300 0.089 0.000 1.120 347 D CA 0.963 55.038 54.000 0.126 0.000 1.083 347 D CB -0.146 40.700 40.800 0.076 0.000 1.116 347 D HN 0.179 nan 8.370 nan 0.000 0.487 348 V N 1.207 121.185 119.914 0.107 0.000 2.638 348 V HA 0.612 4.736 4.120 0.007 0.000 0.306 348 V C 0.399 176.512 176.094 0.031 0.000 1.052 348 V CA -1.446 60.890 62.300 0.059 0.000 0.885 348 V CB 1.919 33.777 31.823 0.058 0.000 0.999 348 V HN 0.401 nan 8.190 nan 0.000 0.424 349 A N 3.234 126.045 122.820 -0.015 0.000 2.507 349 A HA 0.625 4.949 4.320 0.007 0.000 0.235 349 A C 1.182 178.697 177.584 -0.115 0.000 1.070 349 A CA 1.040 53.033 52.037 -0.074 0.000 0.768 349 A CB -0.457 18.480 19.000 -0.106 0.000 1.011 349 A HN 2.427 nan 8.150 nan 0.000 0.502 350 G N 1.135 109.826 108.800 -0.182 0.000 2.569 350 G HA2 -0.232 3.732 3.960 0.007 0.000 0.259 350 G HA3 -0.232 3.732 3.960 0.007 0.000 0.259 350 G C 0.280 175.073 174.900 -0.179 0.000 1.263 350 G CA 1.209 46.143 45.100 -0.276 0.000 0.928 350 G HN 2.302 nan 8.290 nan 0.000 0.572 351 H N -0.163 118.895 119.070 -0.020 0.000 2.548 351 H HA 0.438 4.999 4.556 0.008 0.000 0.265 351 H C 2.099 177.428 175.328 0.002 0.000 0.969 351 H CA 0.939 56.991 56.048 0.007 0.000 1.155 351 H CB -0.376 29.431 29.762 0.075 0.000 1.394 351 H HN 2.306 nan 8.280 nan 0.000 0.570 352 G N 0.314 109.213 108.800 0.165 0.000 2.160 352 G HA2 -0.260 3.704 3.960 0.007 0.000 0.251 352 G HA3 -0.260 3.704 3.960 0.007 0.000 0.251 352 G C 0.098 175.091 174.900 0.155 0.000 1.008 352 G CA 0.451 45.628 45.100 0.128 0.000 0.724 352 G HN 0.854 nan 8.290 nan 0.000 0.514 353 V N -0.864 119.236 119.914 0.310 0.000 2.513 353 V HA 0.873 4.997 4.120 0.007 0.000 0.299 353 V C -0.381 175.807 176.094 0.155 0.000 1.035 353 V CA -1.080 61.280 62.300 0.099 0.000 0.889 353 V CB 1.738 33.446 31.823 -0.193 0.000 0.988 353 V HN 0.290 nan 8.190 nan 0.000 0.440 354 N N 4.256 123.042 118.700 0.144 0.000 2.509 354 N HA 0.575 5.319 4.740 0.007 0.000 0.280 354 N C -1.278 174.381 175.510 0.249 0.000 1.306 354 N CA -0.524 52.626 53.050 0.166 0.000 0.782 354 N CB 2.332 40.882 38.487 0.104 0.000 1.493 354 N HN 0.652 nan 8.380 nan 0.000 0.498 355 L N 1.110 122.454 121.223 0.201 0.000 2.357 355 L HA 0.240 4.584 4.340 0.007 0.000 0.273 355 L C 0.731 177.643 176.870 0.068 0.000 1.080 355 L CA -0.618 54.313 54.840 0.151 0.000 0.803 355 L CB 0.724 42.848 42.059 0.108 0.000 1.174 355 L HN 0.266 nan 8.230 nan 0.000 0.443 356 E N 1.481 121.691 120.200 0.017 0.000 2.392 356 E HA 0.134 4.488 4.350 0.007 0.000 0.264 356 E C 0.076 176.672 176.600 -0.006 0.000 1.024 356 E CA -0.053 56.343 56.400 -0.005 0.000 0.903 356 E CB 0.902 30.578 29.700 -0.040 0.000 0.963 356 E HN 0.733 nan 8.360 nan 0.000 0.432 357 G N 0.000 108.798 108.800 -0.003 0.000 5.446 357 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 357 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 357 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 357 G HN 0.000 nan 8.290 nan 0.000 0.925