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 1e1r_1_F DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.853 174.700 0.255 0.000 1.109 9 T CA 0.000 62.220 62.100 0.200 0.000 1.349 9 T CB 0.000 69.023 68.868 0.259 0.000 0.612 10 T N 1.230 115.882 114.554 0.164 0.000 2.772 10 T HA 0.716 5.066 4.350 -0.000 0.000 0.288 10 T C 0.364 174.887 174.700 -0.295 0.000 0.994 10 T CA -0.642 61.444 62.100 -0.023 0.000 0.951 10 T CB 1.293 70.142 68.868 -0.031 0.000 0.933 10 T HN 1.018 nan 8.240 nan 0.000 0.447 11 G N 2.125 110.489 108.800 -0.728 0.000 2.568 11 G HA2 0.748 4.708 3.960 -0.000 0.000 0.313 11 G HA3 0.748 4.708 3.960 -0.000 0.000 0.313 11 G C -1.050 173.501 174.900 -0.581 0.000 1.227 11 G CA -1.011 43.354 45.100 -1.225 0.000 0.979 11 G HN 0.567 nan 8.290 nan 0.000 0.486 12 R N -0.018 120.219 120.500 -0.439 0.000 2.561 12 R HA 0.321 4.661 4.340 -0.000 0.000 0.297 12 R C -0.341 175.860 176.300 -0.165 0.000 0.969 12 R CA -0.805 55.156 56.100 -0.231 0.000 0.879 12 R CB 2.413 32.619 30.300 -0.157 0.000 1.178 12 R HN 0.421 nan 8.270 nan 0.000 0.445 13 I N 3.492 123.994 120.570 -0.113 0.000 2.741 13 I HA -0.131 4.039 4.170 -0.000 0.000 0.288 13 I C 1.533 177.618 176.117 -0.053 0.000 1.192 13 I CA 0.402 61.663 61.300 -0.065 0.000 1.426 13 I CB 0.579 38.552 38.000 -0.045 0.000 1.367 13 I HN 0.535 nan 8.210 nan 0.000 0.563 14 V N 2.968 122.859 119.914 -0.038 0.000 3.477 14 V HA 0.649 4.769 4.120 -0.000 0.000 0.297 14 V C 0.449 176.534 176.094 -0.016 0.000 1.433 14 V CA 0.255 62.538 62.300 -0.028 0.000 1.052 14 V CB 0.070 31.879 31.823 -0.024 0.000 0.895 14 V HN 0.777 nan 8.190 nan 0.000 0.438 15 A N -0.304 122.509 122.820 -0.012 0.000 2.565 15 A HA 0.747 5.067 4.320 -0.000 0.000 0.298 15 A C -1.366 176.216 177.584 -0.004 0.000 1.062 15 A CA -0.305 51.728 52.037 -0.007 0.000 0.723 15 A CB 1.808 20.807 19.000 -0.002 0.000 1.282 15 A HN 0.522 nan 8.150 nan 0.000 0.400 16 V N 2.570 122.481 119.914 -0.005 0.000 2.525 16 V HA 0.589 4.708 4.120 -0.000 0.000 0.299 16 V C -1.238 174.854 176.094 -0.003 0.000 1.034 16 V CA -0.191 62.107 62.300 -0.003 0.000 0.863 16 V CB 1.452 33.271 31.823 -0.006 0.000 0.999 16 V HN 0.689 nan 8.190 nan 0.000 0.423 17 I N 4.837 125.406 120.570 -0.002 0.000 2.583 17 I HA 0.679 4.849 4.170 -0.000 0.000 0.276 17 I C 0.862 176.977 176.117 -0.004 0.000 1.089 17 I CA 0.653 61.951 61.300 -0.003 0.000 1.103 17 I CB 1.210 39.209 38.000 -0.002 0.000 1.209 17 I HN 0.809 nan 8.210 nan 0.000 0.484 18 G N 4.391 113.188 108.800 -0.005 0.000 2.665 18 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.326 18 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.326 18 G C 1.043 175.940 174.900 -0.005 0.000 1.231 18 G CA 0.815 45.912 45.100 -0.006 0.000 0.992 18 G HN 0.909 nan 8.290 nan 0.000 0.549 19 A N -0.746 122.070 122.820 -0.006 0.000 2.218 19 A HA 0.580 4.900 4.320 -0.000 0.000 0.209 19 A C 1.038 178.622 177.584 -0.000 0.000 1.168 19 A CA 1.546 53.580 52.037 -0.005 0.000 0.804 19 A CB 0.101 19.095 19.000 -0.010 0.000 0.834 19 A HN 1.302 nan 8.150 nan 0.000 0.482 20 V N 1.348 121.262 119.914 -0.000 0.000 2.364 20 V HA 0.362 4.482 4.120 -0.000 0.000 0.272 20 V C -0.562 175.537 176.094 0.008 0.000 1.036 20 V CA -0.308 61.996 62.300 0.005 0.000 0.880 20 V CB 1.212 33.037 31.823 0.003 0.000 0.991 20 V HN 0.108 nan 8.190 nan 0.000 0.460 21 V N 4.051 123.974 119.914 0.015 0.000 2.487 21 V HA 0.464 4.584 4.120 -0.000 0.000 0.298 21 V C -0.714 175.395 176.094 0.026 0.000 1.028 21 V CA -0.841 61.468 62.300 0.016 0.000 0.860 21 V CB 2.113 33.946 31.823 0.016 0.000 0.991 21 V HN 0.766 nan 8.190 nan 0.000 0.427 22 D N 3.298 123.710 120.400 0.020 0.000 2.274 22 D HA 0.535 5.175 4.640 -0.000 0.000 0.239 22 D C -0.440 175.873 176.300 0.023 0.000 1.104 22 D CA 0.061 54.078 54.000 0.028 0.000 0.840 22 D CB 1.938 42.748 40.800 0.018 0.000 1.100 22 D HN 0.288 nan 8.370 nan 0.000 0.477 23 V N 2.418 122.365 119.914 0.055 0.000 2.555 23 V HA 0.354 4.474 4.120 -0.000 0.000 0.302 23 V C -0.018 176.105 176.094 0.048 0.000 1.038 23 V CA -0.961 61.354 62.300 0.024 0.000 0.887 23 V CB 1.858 33.715 31.823 0.058 0.000 0.991 23 V HN 0.382 nan 8.190 nan 0.000 0.434 24 Q N 2.663 122.418 119.800 -0.075 0.000 2.290 24 Q HA 0.594 4.934 4.340 -0.000 0.000 0.259 24 Q C -1.895 174.019 176.000 -0.144 0.000 0.941 24 Q CA -0.455 55.330 55.803 -0.030 0.000 0.912 24 Q CB 1.271 29.985 28.738 -0.041 0.000 1.244 24 Q HN 0.652 nan 8.270 nan 0.000 0.441 25 F N 2.481 122.400 119.950 -0.053 0.000 2.458 25 F HA 0.225 4.752 4.527 -0.000 0.000 0.336 25 F C 0.709 176.484 175.800 -0.042 0.000 1.114 25 F CA -0.658 57.313 58.000 -0.047 0.000 0.987 25 F CB 1.692 40.657 39.000 -0.060 0.000 1.130 25 F HN 0.640 nan 8.300 nan 0.000 0.458 26 D N 0.822 121.284 120.400 0.103 0.000 2.091 26 D HA -0.044 4.596 4.640 -0.000 0.000 0.199 26 D C 0.412 176.755 176.300 0.072 0.000 0.980 26 D CA 1.513 55.549 54.000 0.059 0.000 0.831 26 D CB 0.334 41.148 40.800 0.024 0.000 0.987 26 D HN 0.430 nan 8.370 nan 0.000 0.460 27 E N -1.011 119.247 120.200 0.096 0.000 2.336 27 E HA 0.476 4.826 4.350 -0.000 0.000 0.267 27 E C -0.021 176.623 176.600 0.074 0.000 0.906 27 E CA -0.742 55.698 56.400 0.067 0.000 0.781 27 E CB 1.950 31.678 29.700 0.046 0.000 1.261 27 E HN 0.115 nan 8.360 nan 0.000 0.436 28 G N 1.767 110.576 108.800 0.016 0.000 2.342 28 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.267 28 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.267 28 G C -0.333 174.484 174.900 -0.138 0.000 0.922 28 G CA 0.134 45.214 45.100 -0.032 0.000 1.342 28 G HN 0.244 nan 8.290 nan 0.000 0.430 29 L N 4.171 125.285 121.223 -0.181 0.000 2.410 29 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 29 L C -1.148 175.493 176.870 -0.382 0.000 1.152 29 L CA -1.575 53.038 54.840 -0.380 0.000 0.855 29 L CB 0.472 42.356 42.059 -0.291 0.000 1.129 29 L HN 0.313 nan 8.230 nan 0.000 0.463 30 P HA 0.298 nan 4.420 nan 0.000 0.281 30 P C -2.735 174.553 177.300 -0.020 0.000 1.252 30 P CA -1.562 61.346 63.100 -0.321 0.000 0.778 30 P CB 0.404 31.841 31.700 -0.438 0.000 0.895 31 P HA 0.142 nan 4.420 nan 0.000 0.271 31 P C 0.413 177.727 177.300 0.023 0.000 1.233 31 P CA -0.104 63.030 63.100 0.058 0.000 0.789 31 P CB 0.558 32.244 31.700 -0.024 0.000 0.951 32 I N 1.814 122.321 120.570 -0.106 0.000 2.710 32 I HA -0.069 4.101 4.170 -0.000 0.000 0.286 32 I C 1.428 177.486 176.117 -0.099 0.000 1.181 32 I CA 0.498 61.733 61.300 -0.109 0.000 1.430 32 I CB -0.368 37.520 38.000 -0.187 0.000 1.367 32 I HN 0.413 nan 8.210 nan 0.000 0.577 33 L N 2.270 123.440 121.223 -0.089 0.000 4.126 33 L HA -0.207 4.133 4.340 -0.000 0.000 0.410 33 L C -0.028 176.841 176.870 -0.003 0.000 0.804 33 L CA 0.069 54.838 54.840 -0.118 0.000 2.157 33 L CB -1.549 40.352 42.059 -0.263 0.000 1.460 33 L HN 0.689 nan 8.230 nan 0.000 0.573 34 N N 1.389 120.090 118.700 0.002 0.000 2.488 34 N HA 0.530 5.270 4.740 -0.000 0.000 0.274 34 N C 0.233 175.765 175.510 0.038 0.000 1.111 34 N CA 0.798 53.858 53.050 0.017 0.000 0.974 34 N CB 1.304 39.785 38.487 -0.010 0.000 1.089 34 N HN 0.280 nan 8.380 nan 0.000 0.465 35 A N 3.458 126.305 122.820 0.045 0.000 2.309 35 A HA 0.435 4.755 4.320 -0.000 0.000 0.290 35 A C -0.044 177.569 177.584 0.048 0.000 1.206 35 A CA -0.429 51.638 52.037 0.049 0.000 0.850 35 A CB -0.093 18.933 19.000 0.043 0.000 1.118 35 A HN 0.657 nan 8.150 nan 0.000 0.523 36 L N 1.882 123.144 121.223 0.065 0.000 2.352 36 L HA 0.506 4.846 4.340 -0.000 0.000 0.269 36 L C 0.079 176.988 176.870 0.065 0.000 1.034 36 L CA -0.673 54.222 54.840 0.092 0.000 0.806 36 L CB 1.295 43.440 42.059 0.144 0.000 1.244 36 L HN 0.601 nan 8.230 nan 0.000 0.447 37 E N 1.763 122.000 120.200 0.062 0.000 2.185 37 E HA 0.286 4.636 4.350 -0.000 0.000 0.261 37 E C -1.035 175.579 176.600 0.024 0.000 0.879 37 E CA -0.544 55.876 56.400 0.033 0.000 0.756 37 E CB 2.402 32.115 29.700 0.023 0.000 1.152 37 E HN 0.183 nan 8.360 nan 0.000 0.416 38 V N 3.719 123.641 119.914 0.015 0.000 2.637 38 V HA 0.004 4.124 4.120 -0.000 0.000 0.296 38 V C 0.629 176.720 176.094 -0.005 0.000 1.046 38 V CA -0.262 62.039 62.300 0.001 0.000 1.066 38 V CB 0.739 32.561 31.823 -0.001 0.000 0.968 38 V HN 0.480 nan 8.190 nan 0.000 0.483 39 Q N 2.256 122.047 119.800 -0.014 0.000 2.214 39 Q HA 0.513 4.853 4.340 -0.000 0.000 0.251 39 Q C 0.937 176.927 176.000 -0.016 0.000 0.936 39 Q CA 0.234 56.028 55.803 -0.015 0.000 0.894 39 Q CB 1.471 30.197 28.738 -0.020 0.000 1.252 39 Q HN 1.174 nan 8.270 nan 0.000 0.448 40 G N 1.883 110.675 108.800 -0.014 0.000 2.248 40 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.263 40 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.263 40 G C -0.304 174.590 174.900 -0.010 0.000 1.082 40 G CA -0.126 44.967 45.100 -0.013 0.000 0.863 40 G HN 0.377 nan 8.290 nan 0.000 0.495 41 R N -0.776 119.719 120.500 -0.008 0.000 2.628 41 R HA 0.369 4.709 4.340 -0.000 0.000 0.288 41 R C 0.900 177.197 176.300 -0.006 0.000 0.980 41 R CA -0.735 55.361 56.100 -0.007 0.000 0.891 41 R CB 1.498 31.794 30.300 -0.005 0.000 1.188 41 R HN 0.315 nan 8.270 nan 0.000 0.450 42 E N 0.756 120.953 120.200 -0.005 0.000 2.031 42 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 42 E C 0.502 177.100 176.600 -0.004 0.000 0.994 42 E CA 1.687 58.084 56.400 -0.004 0.000 0.800 42 E CB 0.184 29.881 29.700 -0.004 0.000 0.752 42 E HN 0.601 nan 8.360 nan 0.000 0.447 43 T N -1.087 113.465 114.554 -0.003 0.000 2.929 43 T HA 0.335 4.685 4.350 -0.000 0.000 0.284 43 T C -0.028 174.671 174.700 -0.002 0.000 1.014 43 T CA -0.953 61.146 62.100 -0.002 0.000 1.051 43 T CB 2.085 70.951 68.868 -0.002 0.000 1.028 43 T HN -0.045 nan 8.240 nan 0.000 0.485 44 R N 1.084 121.583 120.500 -0.001 0.000 2.458 44 R HA 0.270 4.610 4.340 -0.000 0.000 0.303 44 R C -1.015 175.286 176.300 0.003 0.000 1.013 44 R CA -0.499 55.600 56.100 -0.000 0.000 1.026 44 R CB -0.115 30.184 30.300 -0.002 0.000 0.948 44 R HN 0.568 nan 8.270 nan 0.000 0.417 45 L N 6.398 127.623 121.223 0.004 0.000 2.324 45 L HA 0.322 4.662 4.340 -0.000 0.000 0.274 45 L C -1.230 175.648 176.870 0.013 0.000 1.012 45 L CA -0.506 54.338 54.840 0.007 0.000 0.859 45 L CB 1.659 43.721 42.059 0.005 0.000 1.224 45 L HN 0.323 nan 8.230 nan 0.000 0.429 46 V N 6.005 125.929 119.914 0.016 0.000 2.567 46 V HA 0.452 4.572 4.120 -0.000 0.000 0.289 46 V C 0.062 176.175 176.094 0.031 0.000 1.049 46 V CA -0.481 61.834 62.300 0.024 0.000 0.969 46 V CB 1.625 33.462 31.823 0.023 0.000 0.995 46 V HN 0.577 nan 8.190 nan 0.000 0.471 47 L N 4.013 125.261 121.223 0.042 0.000 2.372 47 L HA 0.539 4.879 4.340 -0.000 0.000 0.274 47 L C -0.073 176.832 176.870 0.058 0.000 0.988 47 L CA -0.292 54.577 54.840 0.048 0.000 0.833 47 L CB 1.788 43.879 42.059 0.054 0.000 1.236 47 L HN 0.659 nan 8.230 nan 0.000 0.410 48 E N 2.764 122.999 120.200 0.058 0.000 2.259 48 E HA 0.312 4.662 4.350 -0.000 0.000 0.281 48 E C -0.852 175.781 176.600 0.056 0.000 1.027 48 E CA -0.750 55.690 56.400 0.067 0.000 0.838 48 E CB 1.654 31.410 29.700 0.093 0.000 1.066 48 E HN 0.337 nan 8.360 nan 0.000 0.401 49 V N 4.631 124.574 119.914 0.049 0.000 2.485 49 V HA 0.067 4.187 4.120 -0.000 0.000 0.287 49 V C 0.965 177.076 176.094 0.028 0.000 1.022 49 V CA 0.758 63.089 62.300 0.053 0.000 1.067 49 V CB 0.600 32.459 31.823 0.061 0.000 0.967 49 V HN 0.878 nan 8.190 nan 0.000 0.479 50 A N 4.428 127.270 122.820 0.036 0.000 1.993 50 A HA 0.260 4.580 4.320 -0.000 0.000 0.207 50 A C 0.729 178.315 177.584 0.004 0.000 1.224 50 A CA 0.472 52.514 52.037 0.008 0.000 0.749 50 A CB 0.264 19.270 19.000 0.011 0.000 0.884 50 A HN 0.881 nan 8.150 nan 0.000 0.467 51 Q N -1.473 118.358 119.800 0.053 0.000 2.575 51 Q HA 0.391 4.731 4.340 -0.000 0.000 0.290 51 Q C -1.737 174.391 176.000 0.213 0.000 0.963 51 Q CA -0.756 55.084 55.803 0.063 0.000 0.783 51 Q CB 0.774 29.532 28.738 0.033 0.000 1.467 51 Q HN 0.497 nan 8.270 nan 0.000 0.402 52 H N 1.217 120.279 119.070 -0.013 0.000 2.597 52 H HA 0.294 4.850 4.556 -0.000 0.000 0.303 52 H C 0.456 175.784 175.328 0.000 0.000 1.057 52 H CA -0.428 55.615 56.048 -0.008 0.000 1.261 52 H CB 1.263 31.014 29.762 -0.018 0.000 1.397 52 H HN 0.454 nan 8.280 nan 0.000 0.461 53 L N 2.905 124.188 121.223 0.100 0.000 2.478 53 L HA 0.119 4.459 4.340 -0.000 0.000 0.223 53 L C 1.184 178.081 176.870 0.044 0.000 1.140 53 L CA 0.550 55.425 54.840 0.059 0.000 0.842 53 L CB -0.043 42.040 42.059 0.039 0.000 0.953 53 L HN 0.909 nan 8.230 nan 0.000 0.452 54 G N 0.142 108.967 108.800 0.041 0.000 2.707 54 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.686 54 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.686 54 G C 0.001 174.907 174.900 0.010 0.000 1.315 54 G CA -0.403 44.713 45.100 0.026 0.000 0.832 54 G HN 0.326 nan 8.290 nan 0.000 0.573 55 E N -0.919 119.285 120.200 0.007 0.000 2.389 55 E HA -0.222 4.128 4.350 -0.000 0.000 0.243 55 E C 1.013 177.615 176.600 0.003 0.000 1.154 55 E CA 1.065 57.468 56.400 0.005 0.000 0.723 55 E CB -1.568 28.136 29.700 0.006 0.000 1.261 55 E HN 1.972 nan 8.360 nan 0.000 0.390 56 S N -1.907 113.788 115.700 -0.008 0.000 3.358 56 S HA -0.206 4.264 4.470 -0.000 0.000 0.309 56 S C 0.230 174.840 174.600 0.018 0.000 1.247 56 S CA 1.631 59.828 58.200 -0.005 0.000 0.961 56 S CB -0.756 62.458 63.200 0.024 0.000 1.074 56 S HN 0.473 nan 8.310 nan 0.000 0.625 57 T N 1.625 116.180 114.554 0.001 0.000 2.824 57 T HA 0.604 4.954 4.350 -0.000 0.000 0.280 57 T C 0.199 174.899 174.700 0.001 0.000 0.995 57 T CA -0.252 61.864 62.100 0.026 0.000 1.009 57 T CB 1.752 70.633 68.868 0.021 0.000 0.955 57 T HN 0.486 nan 8.240 nan 0.000 0.452 58 V N 1.532 121.470 119.914 0.041 0.000 2.581 58 V HA 0.743 4.863 4.120 -0.000 0.000 0.303 58 V C -0.242 175.898 176.094 0.078 0.000 1.041 58 V CA -1.392 60.932 62.300 0.041 0.000 0.907 58 V CB 1.591 33.422 31.823 0.014 0.000 0.994 58 V HN 0.836 nan 8.190 nan 0.000 0.442 59 R N 2.761 123.309 120.500 0.080 0.000 2.312 59 R HA 0.718 5.058 4.340 -0.000 0.000 0.311 59 R C 0.021 176.359 176.300 0.063 0.000 1.004 59 R CA 0.474 56.611 56.100 0.061 0.000 0.902 59 R CB 1.270 31.598 30.300 0.047 0.000 1.073 59 R HN 1.194 nan 8.270 nan 0.000 0.457 60 T N 1.148 115.734 114.554 0.053 0.000 2.887 60 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 60 T C -0.255 174.465 174.700 0.034 0.000 1.087 60 T CA -0.890 61.240 62.100 0.050 0.000 1.009 60 T CB 1.114 70.020 68.868 0.064 0.000 1.203 60 T HN 0.431 nan 8.240 nan 0.000 0.518 61 I N 1.512 122.101 120.570 0.032 0.000 2.418 61 I HA 0.593 4.763 4.170 -0.000 0.000 0.287 61 I C 0.587 176.718 176.117 0.024 0.000 1.008 61 I CA -1.253 60.060 61.300 0.022 0.000 1.104 61 I CB 1.630 39.640 38.000 0.017 0.000 1.264 61 I HN 0.978 nan 8.210 nan 0.000 0.438 62 A N 6.921 129.750 122.820 0.017 0.000 2.407 62 A HA 0.429 4.749 4.320 -0.000 0.000 0.248 62 A C 0.762 178.355 177.584 0.014 0.000 1.082 62 A CA -0.182 51.865 52.037 0.016 0.000 0.785 62 A CB 0.417 19.423 19.000 0.010 0.000 1.020 62 A HN 0.757 nan 8.150 nan 0.000 0.489 63 M N 0.808 120.418 119.600 0.016 0.000 2.431 63 M HA 0.215 4.695 4.480 -0.000 0.000 0.237 63 M C -0.100 176.206 176.300 0.010 0.000 1.130 63 M CA 0.476 55.784 55.300 0.014 0.000 1.002 63 M CB -0.970 31.640 32.600 0.017 0.000 1.524 63 M HN 0.788 nan 8.290 nan 0.000 0.482 64 D N -1.149 119.255 120.400 0.008 0.000 2.677 64 D HA 0.435 5.075 4.640 -0.000 0.000 0.298 64 D C -0.565 175.737 176.300 0.003 0.000 1.250 64 D CA -0.209 53.794 54.000 0.005 0.000 0.888 64 D CB 1.483 42.287 40.800 0.005 0.000 1.397 64 D HN 0.121 nan 8.370 nan 0.000 0.461 65 G N -0.717 108.084 108.800 0.001 0.000 2.414 65 G HA2 0.313 4.273 3.960 -0.000 0.000 0.236 65 G HA3 0.313 4.273 3.960 -0.000 0.000 0.236 65 G C 0.889 175.789 174.900 -0.000 0.000 1.293 65 G CA 0.608 45.708 45.100 -0.000 0.000 0.869 65 G HN 0.396 nan 8.290 nan 0.000 0.556 66 T N -1.164 113.390 114.554 -0.001 0.000 3.122 66 T HA 0.169 4.519 4.350 -0.000 0.000 0.250 66 T C 0.518 175.216 174.700 -0.004 0.000 1.067 66 T CA -0.095 62.004 62.100 -0.002 0.000 0.966 66 T CB -0.151 68.716 68.868 -0.002 0.000 1.002 66 T HN 0.636 nan 8.240 nan 0.000 0.542 67 E N 1.482 121.680 120.200 -0.003 0.000 2.502 67 E HA 0.407 4.757 4.350 -0.000 0.000 0.261 67 E C 1.388 177.985 176.600 -0.005 0.000 0.974 67 E CA 0.526 56.924 56.400 -0.004 0.000 0.936 67 E CB -0.526 29.172 29.700 -0.003 0.000 0.926 67 E HN 0.284 nan 8.360 nan 0.000 0.459 68 G N 1.977 110.774 108.800 -0.006 0.000 2.199 68 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.254 68 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.254 68 G C 0.083 174.978 174.900 -0.009 0.000 0.982 68 G CA 0.032 45.127 45.100 -0.007 0.000 0.632 68 G HN 0.434 nan 8.290 nan 0.000 0.529 69 L N 0.995 122.212 121.223 -0.009 0.000 2.416 69 L HA 0.534 4.874 4.340 -0.000 0.000 0.272 69 L C 0.585 177.447 176.870 -0.013 0.000 1.161 69 L CA -0.477 54.356 54.840 -0.011 0.000 0.845 69 L CB 1.315 43.367 42.059 -0.010 0.000 1.119 69 L HN -0.009 nan 8.230 nan 0.000 0.464 70 V N 3.522 123.426 119.914 -0.017 0.000 2.715 70 V HA 0.376 4.496 4.120 -0.000 0.000 0.310 70 V C 0.183 176.263 176.094 -0.023 0.000 1.054 70 V CA -0.921 61.368 62.300 -0.018 0.000 0.928 70 V CB 2.052 33.864 31.823 -0.018 0.000 1.007 70 V HN 0.669 nan 8.190 nan 0.000 0.437 71 R N 1.995 122.482 120.500 -0.022 0.000 2.484 71 R HA 0.418 4.758 4.340 -0.000 0.000 0.293 71 R C 1.245 177.524 176.300 -0.034 0.000 1.023 71 R CA 1.177 57.260 56.100 -0.027 0.000 1.037 71 R CB 0.188 30.475 30.300 -0.022 0.000 0.951 71 R HN 1.169 nan 8.270 nan 0.000 0.418 72 G N 1.838 110.611 108.800 -0.045 0.000 2.259 72 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 72 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 72 G C 0.219 175.083 174.900 -0.060 0.000 1.001 72 G CA -0.123 44.945 45.100 -0.053 0.000 0.627 72 G HN 0.590 nan 8.290 nan 0.000 0.501 73 Q N 1.325 121.094 119.800 -0.052 0.000 2.369 73 Q HA 0.307 4.647 4.340 -0.000 0.000 0.295 73 Q C 0.126 176.083 176.000 -0.072 0.000 1.075 73 Q CA 0.379 56.151 55.803 -0.051 0.000 0.941 73 Q CB 0.389 29.105 28.738 -0.038 0.000 1.260 73 Q HN 0.244 nan 8.270 nan 0.000 0.417 74 K N 2.177 122.536 120.400 -0.068 0.000 2.174 74 K HA 0.365 4.685 4.320 -0.000 0.000 0.275 74 K C -0.997 175.555 176.600 -0.080 0.000 1.015 74 K CA -0.381 55.852 56.287 -0.089 0.000 0.933 74 K CB 1.412 33.870 32.500 -0.069 0.000 1.025 74 K HN 0.369 nan 8.250 nan 0.000 0.463 75 V N 3.583 123.427 119.914 -0.116 0.000 2.638 75 V HA 0.303 4.423 4.120 -0.000 0.000 0.306 75 V C -0.737 175.343 176.094 -0.024 0.000 1.052 75 V CA -1.071 61.189 62.300 -0.066 0.000 0.885 75 V CB 1.825 33.606 31.823 -0.071 0.000 0.999 75 V HN 0.453 nan 8.190 nan 0.000 0.424 76 L N 3.153 124.408 121.223 0.055 0.000 2.325 76 L HA 0.571 4.911 4.340 -0.000 0.000 0.278 76 L C -0.055 176.915 176.870 0.167 0.000 1.023 76 L CA -0.262 54.644 54.840 0.110 0.000 0.811 76 L CB 1.458 43.551 42.059 0.058 0.000 1.249 76 L HN 0.705 nan 8.230 nan 0.000 0.431 77 D N 0.263 120.788 120.400 0.209 0.000 2.317 77 D HA 0.061 4.701 4.640 -0.000 0.000 0.252 77 D C 1.007 177.338 176.300 0.052 0.000 1.174 77 D CA 0.149 54.216 54.000 0.112 0.000 0.866 77 D CB 1.203 42.019 40.800 0.027 0.000 1.127 77 D HN 0.539 nan 8.370 nan 0.000 0.467 78 S N 2.661 118.381 115.700 0.033 0.000 2.522 78 S HA 0.129 4.599 4.470 -0.000 0.000 0.227 78 S C 1.682 176.282 174.600 0.001 0.000 0.986 78 S CA 0.617 58.824 58.200 0.013 0.000 0.929 78 S CB -0.178 63.026 63.200 0.007 0.000 0.769 78 S HN 0.912 nan 8.310 nan 0.000 0.529 79 G N 0.153 108.952 108.800 -0.003 0.000 2.176 79 G HA2 0.088 4.048 3.960 -0.000 0.000 0.253 79 G HA3 0.088 4.048 3.960 -0.000 0.000 0.253 79 G C 0.154 175.051 174.900 -0.006 0.000 0.979 79 G CA -0.181 44.913 45.100 -0.010 0.000 0.641 79 G HN 1.660 nan 8.290 nan 0.000 0.530 80 A N -0.813 122.008 122.820 0.002 0.000 2.608 80 A HA 0.858 5.178 4.320 -0.000 0.000 0.292 80 A C -2.954 174.648 177.584 0.030 0.000 1.066 80 A CA -0.575 51.469 52.037 0.013 0.000 0.676 80 A CB 1.065 20.072 19.000 0.012 0.000 1.277 80 A HN 0.134 nan 8.150 nan 0.000 0.413 81 P HA 0.249 nan 4.420 nan 0.000 0.271 81 P C -0.214 177.130 177.300 0.073 0.000 1.238 81 P CA -0.104 63.056 63.100 0.100 0.000 0.794 81 P CB 0.159 31.968 31.700 0.182 0.000 0.959 82 I N 0.883 121.498 120.570 0.076 0.000 2.919 82 I HA -0.136 4.034 4.170 -0.000 0.000 0.299 82 I C 1.222 177.352 176.117 0.023 0.000 1.221 82 I CA 1.069 62.388 61.300 0.032 0.000 1.424 82 I CB -0.320 37.687 38.000 0.011 0.000 1.358 82 I HN 0.124 nan 8.210 nan 0.000 0.551 83 R N 7.462 127.978 120.500 0.027 0.000 2.514 83 R HA 0.710 5.050 4.340 -0.000 0.000 0.301 83 R C -0.502 175.853 176.300 0.092 0.000 0.962 83 R CA -0.783 55.351 56.100 0.056 0.000 0.882 83 R CB 1.888 32.224 30.300 0.060 0.000 1.143 83 R HN 0.600 nan 8.270 nan 0.000 0.452 84 I N -1.086 119.549 120.570 0.108 0.000 2.957 84 I HA 0.643 4.813 4.170 -0.000 0.000 0.310 84 I C -2.594 173.608 176.117 0.142 0.000 1.063 84 I CA -3.495 57.876 61.300 0.119 0.000 1.033 84 I CB 2.252 40.261 38.000 0.015 0.000 1.230 84 I HN 0.293 nan 8.210 nan 0.000 0.447 85 P HA 0.173 nan 4.420 nan 0.000 0.271 85 P C -0.614 176.480 177.300 -0.344 0.000 1.226 85 P CA -0.099 62.833 63.100 -0.281 0.000 0.765 85 P CB 0.874 32.480 31.700 -0.157 0.000 0.835 86 V N 0.761 120.359 119.914 -0.526 0.000 2.960 86 V HA 1.034 5.154 4.120 -0.000 0.000 0.315 86 V C 0.133 175.689 176.094 -0.896 0.000 1.087 86 V CA -0.379 61.532 62.300 -0.650 0.000 0.982 86 V CB 1.408 32.853 31.823 -0.630 0.000 1.039 86 V HN 0.914 nan 8.190 nan 0.000 0.437 87 G N 2.314 110.454 108.800 -1.100 0.000 2.381 87 G HA2 0.125 4.085 3.960 -0.000 0.000 0.672 87 G HA3 0.125 4.085 3.960 -0.000 0.000 0.672 87 G C -2.429 172.424 174.900 -0.079 0.000 1.324 87 G CA -0.068 44.591 45.100 -0.736 0.000 0.975 87 G HN 0.686 nan 8.290 nan 0.000 0.593 88 P HA -0.040 nan 4.420 nan 0.000 0.219 88 P C 1.240 178.522 177.300 -0.030 0.000 1.146 88 P CA 1.455 64.586 63.100 0.051 0.000 0.808 88 P CB 0.086 31.796 31.700 0.018 0.000 0.779 89 E N -0.252 119.915 120.200 -0.055 0.000 2.401 89 E HA -0.098 4.252 4.350 -0.000 0.000 0.199 89 E C 1.733 178.304 176.600 -0.049 0.000 1.023 89 E CA 1.537 57.901 56.400 -0.060 0.000 0.859 89 E CB -1.113 28.535 29.700 -0.086 0.000 0.780 89 E HN 0.467 nan 8.360 nan 0.000 0.523 90 T N -1.666 112.866 114.554 -0.037 0.000 3.081 90 T HA 0.085 4.435 4.350 -0.000 0.000 0.255 90 T C 1.110 175.833 174.700 0.039 0.000 1.113 90 T CA -0.169 61.925 62.100 -0.009 0.000 1.082 90 T CB -0.158 68.694 68.868 -0.027 0.000 0.939 90 T HN -0.058 nan 8.240 nan 0.000 0.506 91 L N 1.997 123.231 121.223 0.019 0.000 2.462 91 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 91 L C 1.664 178.537 176.870 0.005 0.000 1.166 91 L CA 0.993 55.819 54.840 -0.023 0.000 0.880 91 L CB 0.247 42.194 42.059 -0.186 0.000 1.142 91 L HN 0.528 nan 8.230 nan 0.000 0.473 92 G N 1.752 110.580 108.800 0.046 0.000 2.205 92 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.261 92 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.261 92 G C 0.482 175.446 174.900 0.107 0.000 0.980 92 G CA -0.312 44.835 45.100 0.080 0.000 0.632 92 G HN 0.450 nan 8.290 nan 0.000 0.533 93 R N -0.145 120.396 120.500 0.068 0.000 2.608 93 R HA 0.816 5.156 4.340 -0.000 0.000 0.255 93 R C 0.339 176.654 176.300 0.025 0.000 1.086 93 R CA -0.847 55.278 56.100 0.042 0.000 1.125 93 R CB 0.512 30.823 30.300 0.019 0.000 1.193 93 R HN 0.335 nan 8.270 nan 0.000 0.553 94 I N 1.645 122.195 120.570 -0.034 0.000 2.466 94 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 94 I C 0.040 176.153 176.117 -0.006 0.000 1.026 94 I CA -0.454 60.828 61.300 -0.030 0.000 1.078 94 I CB 1.650 39.534 38.000 -0.193 0.000 1.249 94 I HN 0.230 nan 8.210 nan 0.000 0.429 95 M N 4.628 124.252 119.600 0.040 0.000 2.819 95 M HA 0.536 5.016 4.480 -0.000 0.000 0.300 95 M C -0.820 175.509 176.300 0.048 0.000 1.237 95 M CA -0.926 54.390 55.300 0.027 0.000 0.813 95 M CB 1.912 34.523 32.600 0.019 0.000 1.755 95 M HN 0.570 nan 8.290 nan 0.000 0.484 96 N N -0.393 118.326 118.700 0.032 0.000 2.592 96 N HA 0.425 5.165 4.740 -0.000 0.000 0.292 96 N C 0.558 176.080 175.510 0.020 0.000 1.260 96 N CA -0.873 52.199 53.050 0.036 0.000 0.910 96 N CB 0.065 38.568 38.487 0.027 0.000 1.257 96 N HN 0.533 nan 8.380 nan 0.000 0.569 97 V N -0.932 118.992 119.914 0.016 0.000 2.277 97 V HA -0.311 3.809 4.120 -0.000 0.000 0.255 97 V C 1.782 177.873 176.094 -0.004 0.000 1.074 97 V CA 2.392 64.692 62.300 0.001 0.000 1.058 97 V CB -1.465 30.360 31.823 0.004 0.000 0.656 97 V HN 0.789 nan 8.190 nan 0.000 0.449 98 I N -1.396 119.177 120.570 0.005 0.000 3.752 98 I HA 0.599 4.769 4.170 -0.000 0.000 0.313 98 I C 1.559 177.685 176.117 0.016 0.000 1.304 98 I CA 0.538 61.843 61.300 0.007 0.000 1.171 98 I CB -0.675 37.331 38.000 0.009 0.000 1.038 98 I HN 0.464 nan 8.210 nan 0.000 0.427 99 G N 1.172 109.981 108.800 0.015 0.000 2.257 99 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.267 99 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.267 99 G C 0.123 175.042 174.900 0.032 0.000 0.984 99 G CA 0.435 45.551 45.100 0.026 0.000 0.626 99 G HN 0.677 nan 8.290 nan 0.000 0.540 100 E N 2.168 122.383 120.200 0.025 0.000 2.418 100 E HA 0.325 4.675 4.350 -0.000 0.000 0.261 100 E C -2.155 174.452 176.600 0.012 0.000 1.070 100 E CA -1.129 55.284 56.400 0.021 0.000 0.931 100 E CB 0.599 30.306 29.700 0.012 0.000 0.954 100 E HN 0.282 nan 8.360 nan 0.000 0.439 101 P HA 0.056 nan 4.420 nan 0.000 0.280 101 P C -0.048 177.239 177.300 -0.022 0.000 1.244 101 P CA 0.265 63.361 63.100 -0.006 0.000 0.784 101 P CB 0.316 32.014 31.700 -0.002 0.000 0.913 102 I N -0.723 119.818 120.570 -0.048 0.000 3.491 102 I HA 0.302 4.472 4.170 -0.000 0.000 0.332 102 I C -0.192 175.852 176.117 -0.122 0.000 1.565 102 I CA -0.374 60.885 61.300 -0.069 0.000 1.050 102 I CB 0.114 38.077 38.000 -0.062 0.000 1.348 102 I HN 0.018 nan 8.210 nan 0.000 0.506 103 D N 0.060 120.392 120.400 -0.114 0.000 2.433 103 D HA 0.053 4.693 4.640 -0.000 0.000 0.211 103 D C 0.494 176.770 176.300 -0.041 0.000 1.114 103 D CA -0.184 53.728 54.000 -0.147 0.000 0.837 103 D CB -0.024 40.673 40.800 -0.172 0.000 0.984 103 D HN 0.448 nan 8.370 nan 0.000 0.505 104 E N -0.152 120.033 120.200 -0.026 0.000 2.883 104 E HA -0.266 4.084 4.350 -0.000 0.000 0.271 104 E C 0.209 176.819 176.600 0.017 0.000 1.049 104 E CA 0.380 56.780 56.400 0.000 0.000 0.817 104 E CB -1.188 28.517 29.700 0.008 0.000 1.407 104 E HN 0.427 nan 8.360 nan 0.000 0.434 105 R N 0.203 120.714 120.500 0.018 0.000 2.552 105 R HA 0.302 4.642 4.340 -0.000 0.000 0.314 105 R C 0.888 177.201 176.300 0.021 0.000 1.041 105 R CA 0.333 56.450 56.100 0.029 0.000 1.076 105 R CB 1.016 31.343 30.300 0.046 0.000 1.290 105 R HN 0.295 nan 8.270 nan 0.000 0.563 106 G N 2.011 110.820 108.800 0.015 0.000 2.698 106 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.225 106 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.225 106 G C -2.506 172.404 174.900 0.015 0.000 1.345 106 G CA -1.228 43.881 45.100 0.014 0.000 0.871 106 G HN 0.063 nan 8.290 nan 0.000 0.540 107 P HA 0.437 nan 4.420 nan 0.000 0.269 107 P C -0.021 177.296 177.300 0.027 0.000 1.217 107 P CA -0.054 63.062 63.100 0.027 0.000 0.783 107 P CB 0.359 32.079 31.700 0.032 0.000 0.898 108 I N 1.725 122.317 120.570 0.037 0.000 2.337 108 I HA 0.185 4.355 4.170 -0.000 0.000 0.285 108 I C 0.473 176.610 176.117 0.033 0.000 1.041 108 I CA -0.436 60.876 61.300 0.021 0.000 1.199 108 I CB 0.496 38.502 38.000 0.010 0.000 1.370 108 I HN 0.038 nan 8.210 nan 0.000 0.470 109 K N 5.705 126.113 120.400 0.013 0.000 2.250 109 K HA 0.352 4.672 4.320 -0.000 0.000 0.280 109 K C -0.049 176.519 176.600 -0.054 0.000 1.098 109 K CA -0.378 55.922 56.287 0.022 0.000 0.916 109 K CB 0.653 33.168 32.500 0.024 0.000 1.209 109 K HN 0.564 nan 8.250 nan 0.000 0.461 110 T N -0.992 113.478 114.554 -0.139 0.000 2.942 110 T HA 0.332 4.682 4.350 -0.000 0.000 0.289 110 T C 0.829 175.379 174.700 -0.250 0.000 1.044 110 T CA -1.083 60.831 62.100 -0.311 0.000 1.023 110 T CB 2.037 70.518 68.868 -0.645 0.000 1.123 110 T HN 0.289 nan 8.240 nan 0.000 0.512 111 K N 0.056 120.328 120.400 -0.212 0.000 2.067 111 K HA 0.056 4.376 4.320 -0.000 0.000 0.203 111 K C 0.287 176.802 176.600 -0.141 0.000 1.048 111 K CA 0.925 57.161 56.287 -0.085 0.000 0.954 111 K CB 0.027 32.510 32.500 -0.028 0.000 0.737 111 K HN 0.555 nan 8.250 nan 0.000 0.444 112 Q N -0.252 119.354 119.800 -0.323 0.000 2.235 112 Q HA 0.401 4.741 4.340 -0.000 0.000 0.256 112 Q C -1.124 174.483 176.000 -0.655 0.000 0.951 112 Q CA -0.257 55.384 55.803 -0.271 0.000 0.890 112 Q CB 1.077 29.741 28.738 -0.123 0.000 1.279 112 Q HN -0.034 nan 8.270 nan 0.000 0.444 113 F N 0.530 120.445 119.950 -0.057 0.000 2.507 113 F HA 0.719 5.246 4.527 -0.000 0.000 0.328 113 F C -0.170 175.604 175.800 -0.043 0.000 1.136 113 F CA -0.984 56.978 58.000 -0.062 0.000 0.930 113 F CB 1.585 40.560 39.000 -0.042 0.000 1.166 113 F HN 0.589 nan 8.300 nan 0.000 0.436 114 A N 1.928 124.782 122.820 0.057 0.000 2.306 114 A HA 0.883 5.203 4.320 -0.000 0.000 0.330 114 A C -0.398 177.212 177.584 0.043 0.000 1.146 114 A CA -0.637 51.425 52.037 0.042 0.000 0.827 114 A CB 0.796 19.798 19.000 0.002 0.000 1.178 114 A HN 0.900 nan 8.150 nan 0.000 0.490 115 A N 1.008 123.851 122.820 0.040 0.000 2.388 115 A HA 0.462 4.782 4.320 -0.000 0.000 0.257 115 A C 1.008 178.583 177.584 -0.016 0.000 1.095 115 A CA 0.004 52.060 52.037 0.031 0.000 0.791 115 A CB -0.248 18.788 19.000 0.060 0.000 1.029 115 A HN 1.477 nan 8.150 nan 0.000 0.489 116 I N -0.846 119.675 120.570 -0.082 0.000 3.444 116 I HA 0.081 4.251 4.170 -0.000 0.000 0.287 116 I C -0.204 175.743 176.117 -0.284 0.000 1.302 116 I CA 0.464 61.651 61.300 -0.188 0.000 1.368 116 I CB -0.329 37.526 38.000 -0.241 0.000 1.048 116 I HN 0.449 nan 8.210 nan 0.000 0.487 117 H N 2.717 121.788 119.070 0.000 0.000 2.673 117 H HA 0.737 5.293 4.556 -0.000 0.000 0.293 117 H C -0.595 174.730 175.328 -0.004 0.000 1.065 117 H CA -0.446 55.601 56.048 -0.001 0.000 1.236 117 H CB 1.463 31.227 29.762 0.003 0.000 1.389 117 H HN 0.393 nan 8.280 nan 0.000 0.481 118 A N 3.543 126.424 122.820 0.102 0.000 2.435 118 A HA 0.442 4.762 4.320 -0.000 0.000 0.304 118 A C -0.101 177.508 177.584 0.043 0.000 1.064 118 A CA -0.864 51.206 52.037 0.055 0.000 0.727 118 A CB 1.675 20.689 19.000 0.023 0.000 1.284 118 A HN 0.643 nan 8.150 nan 0.000 0.415 119 E N 0.920 121.138 120.200 0.030 0.000 2.383 119 E HA 0.424 4.774 4.350 -0.000 0.000 0.264 119 E C 0.488 177.097 176.600 0.014 0.000 1.050 119 E CA -0.041 56.372 56.400 0.022 0.000 0.896 119 E CB 0.963 30.673 29.700 0.017 0.000 0.982 119 E HN 0.807 nan 8.360 nan 0.000 0.424 120 A N 3.871 126.700 122.820 0.014 0.000 2.425 120 A HA 0.218 4.538 4.320 -0.000 0.000 0.242 120 A C -2.091 175.501 177.584 0.013 0.000 1.077 120 A CA -1.131 50.911 52.037 0.008 0.000 0.781 120 A CB -0.393 18.616 19.000 0.014 0.000 1.020 120 A HN 0.366 nan 8.150 nan 0.000 0.494 121 P HA 0.073 nan 4.420 nan 0.000 0.265 121 P C -0.171 177.146 177.300 0.027 0.000 1.187 121 P CA 0.221 63.325 63.100 0.007 0.000 0.766 121 P CB 0.390 32.085 31.700 -0.009 0.000 0.820 122 E N 1.554 121.774 120.200 0.033 0.000 2.374 122 E HA 0.024 4.374 4.350 -0.000 0.000 0.260 122 E C 0.830 177.488 176.600 0.096 0.000 1.101 122 E CA -0.320 56.123 56.400 0.072 0.000 0.907 122 E CB 0.171 29.910 29.700 0.065 0.000 1.014 122 E HN 0.421 nan 8.360 nan 0.000 0.427 123 F N 2.106 122.055 119.950 -0.002 0.000 2.154 123 F HA -0.246 4.281 4.527 -0.000 0.000 0.301 123 F C 1.801 177.599 175.800 -0.003 0.000 1.087 123 F CA 1.779 59.778 58.000 -0.002 0.000 1.274 123 F CB -0.009 38.990 39.000 -0.001 0.000 1.009 123 F HN 0.280 nan 8.300 nan 0.000 0.485 124 V N -2.498 117.451 119.914 0.058 0.000 3.305 124 V HA -0.085 4.035 4.120 -0.000 0.000 0.269 124 V C 1.438 177.475 176.094 -0.095 0.000 1.157 124 V CA 1.665 63.938 62.300 -0.044 0.000 1.157 124 V CB -0.827 31.022 31.823 0.042 0.000 0.772 124 V HN 0.440 nan 8.190 nan 0.000 0.498 125 E N -0.233 119.916 120.200 -0.085 0.000 2.447 125 E HA 0.193 4.543 4.350 -0.000 0.000 0.195 125 E C 0.522 177.057 176.600 -0.109 0.000 1.028 125 E CA -0.299 56.057 56.400 -0.074 0.000 0.876 125 E CB 0.059 29.736 29.700 -0.038 0.000 0.885 125 E HN 0.445 nan 8.360 nan 0.000 0.500 126 M N 1.225 120.717 119.600 -0.179 0.000 2.249 126 M HA 0.034 4.514 4.480 -0.000 0.000 0.340 126 M C 0.503 176.707 176.300 -0.161 0.000 1.166 126 M CA 0.301 55.488 55.300 -0.188 0.000 1.115 126 M CB 0.619 33.039 32.600 -0.300 0.000 1.606 126 M HN -0.132 nan 8.290 nan 0.000 0.448 127 S N 1.714 117.347 115.700 -0.112 0.000 2.690 127 S HA 0.715 5.185 4.470 -0.000 0.000 0.291 127 S C 0.267 174.818 174.600 -0.082 0.000 1.138 127 S CA -0.562 57.586 58.200 -0.087 0.000 1.013 127 S CB 1.110 64.274 63.200 -0.060 0.000 1.053 127 S HN 0.679 nan 8.310 nan 0.000 0.539 128 V N -0.324 119.551 119.914 -0.065 0.000 3.261 128 V HA 0.513 4.633 4.120 -0.000 0.000 0.330 128 V C -0.504 175.570 176.094 -0.034 0.000 1.461 128 V CA -0.544 61.725 62.300 -0.051 0.000 1.127 128 V CB 0.104 31.893 31.823 -0.056 0.000 1.044 128 V HN 0.660 nan 8.190 nan 0.000 0.499 129 E N 2.759 122.941 120.200 -0.030 0.000 2.166 129 E HA 0.308 4.658 4.350 -0.000 0.000 0.279 129 E C -0.287 176.306 176.600 -0.013 0.000 1.095 129 E CA 0.234 56.623 56.400 -0.020 0.000 0.888 129 E CB 0.792 30.481 29.700 -0.018 0.000 1.041 129 E HN 0.530 nan 8.360 nan 0.000 0.414 130 Q N 2.315 122.110 119.800 -0.009 0.000 2.349 130 Q HA 0.256 4.596 4.340 -0.000 0.000 0.254 130 Q C -0.256 175.747 176.000 0.004 0.000 0.980 130 Q CA 0.014 55.816 55.803 -0.002 0.000 0.924 130 Q CB 1.434 30.170 28.738 -0.003 0.000 1.209 130 Q HN 0.471 nan 8.270 nan 0.000 0.445 131 E N 3.054 123.261 120.200 0.013 0.000 2.278 131 E HA 0.318 4.668 4.350 -0.000 0.000 0.272 131 E C -0.969 175.653 176.600 0.036 0.000 0.890 131 E CA -0.635 55.778 56.400 0.021 0.000 0.770 131 E CB 1.987 31.698 29.700 0.018 0.000 1.212 131 E HN 0.603 nan 8.360 nan 0.000 0.415 132 I N 4.343 124.938 120.570 0.042 0.000 2.752 132 I HA -0.004 4.166 4.170 -0.000 0.000 0.287 132 I C -0.777 175.383 176.117 0.073 0.000 1.188 132 I CA -0.035 61.302 61.300 0.061 0.000 1.427 132 I CB 0.418 38.458 38.000 0.067 0.000 1.365 132 I HN 0.466 nan 8.210 nan 0.000 0.585 133 L N 8.991 130.272 121.223 0.098 0.000 2.337 133 L HA 0.385 4.725 4.340 -0.000 0.000 0.269 133 L C -0.818 176.110 176.870 0.096 0.000 1.018 133 L CA -0.369 54.535 54.840 0.106 0.000 0.876 133 L CB 1.066 43.208 42.059 0.138 0.000 1.236 133 L HN 0.319 nan 8.230 nan 0.000 0.436 134 V N 4.404 124.360 119.914 0.070 0.000 2.521 134 V HA 0.145 4.265 4.120 -0.000 0.000 0.286 134 V C 1.541 177.657 176.094 0.037 0.000 1.034 134 V CA 0.821 63.148 62.300 0.044 0.000 1.045 134 V CB 0.801 32.650 31.823 0.043 0.000 0.974 134 V HN 0.934 nan 8.190 nan 0.000 0.480 135 T N 0.441 114.995 114.554 -0.001 0.000 3.023 135 T HA 0.274 4.624 4.350 -0.000 0.000 0.249 135 T C 1.372 176.063 174.700 -0.015 0.000 1.050 135 T CA 0.824 62.927 62.100 0.004 0.000 1.088 135 T CB 0.463 69.311 68.868 -0.034 0.000 0.946 135 T HN 1.514 nan 8.240 nan 0.000 0.480 136 G N 1.699 110.486 108.800 -0.020 0.000 2.141 136 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.231 136 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.231 136 G C -0.048 174.849 174.900 -0.004 0.000 0.984 136 G CA -0.037 45.057 45.100 -0.010 0.000 0.660 136 G HN 0.599 nan 8.290 nan 0.000 0.525 137 I N 1.190 121.750 120.570 -0.016 0.000 2.307 137 I HA 0.230 4.400 4.170 -0.000 0.000 0.289 137 I C 1.575 177.693 176.117 0.002 0.000 1.021 137 I CA -0.515 60.812 61.300 0.044 0.000 1.224 137 I CB 1.011 39.053 38.000 0.071 0.000 1.376 137 I HN 0.049 nan 8.210 nan 0.000 0.470 138 K N 3.653 124.058 120.400 0.008 0.000 2.052 138 K HA -0.185 4.135 4.320 -0.000 0.000 0.215 138 K C 1.824 178.378 176.600 -0.077 0.000 1.053 138 K CA 1.760 58.030 56.287 -0.029 0.000 0.934 138 K CB -0.105 32.362 32.500 -0.055 0.000 0.717 138 K HN 0.591 nan 8.250 nan 0.000 0.450 139 V N 0.490 120.369 119.914 -0.059 0.000 2.261 139 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 139 V C 2.373 178.406 176.094 -0.103 0.000 1.047 139 V CA 1.734 63.978 62.300 -0.093 0.000 1.015 139 V CB -0.930 30.875 31.823 -0.031 0.000 0.642 139 V HN 0.052 nan 8.190 nan 0.000 0.446 140 V N 0.931 120.784 119.914 -0.101 0.000 2.233 140 V HA -0.299 3.821 4.120 -0.000 0.000 0.247 140 V C 2.478 178.463 176.094 -0.182 0.000 1.050 140 V CA 2.583 64.761 62.300 -0.202 0.000 1.010 140 V CB -0.956 30.610 31.823 -0.429 0.000 0.637 140 V HN 0.503 nan 8.190 nan 0.000 0.444 141 D N -0.364 119.946 120.400 -0.150 0.000 2.133 141 D HA -0.167 4.473 4.640 -0.000 0.000 0.195 141 D C 1.822 178.130 176.300 0.014 0.000 0.997 141 D CA 1.349 55.310 54.000 -0.065 0.000 0.840 141 D CB -0.297 40.467 40.800 -0.060 0.000 0.947 141 D HN 0.348 nan 8.370 nan 0.000 0.452 142 L N -0.042 121.134 121.223 -0.078 0.000 2.022 142 L HA 0.023 4.363 4.340 -0.000 0.000 0.204 142 L C 2.077 178.972 176.870 0.042 0.000 1.076 142 L CA 1.354 56.142 54.840 -0.085 0.000 0.749 142 L CB -0.487 41.369 42.059 -0.339 0.000 0.903 142 L HN -0.009 nan 8.230 nan 0.000 0.439 143 L N -0.597 120.577 121.223 -0.081 0.000 2.240 143 L HA 0.142 4.482 4.340 -0.000 0.000 0.211 143 L C 0.707 177.563 176.870 -0.023 0.000 1.106 143 L CA 0.714 55.512 54.840 -0.070 0.000 0.793 143 L CB -0.414 41.581 42.059 -0.105 0.000 0.927 143 L HN 0.407 nan 8.230 nan 0.000 0.446 144 A N -0.064 122.750 122.820 -0.008 0.000 3.399 144 A HA 0.372 4.692 4.320 -0.000 0.000 0.262 144 A C -2.610 174.987 177.584 0.021 0.000 1.145 144 A CA -0.786 51.267 52.037 0.027 0.000 0.916 144 A CB -0.197 18.838 19.000 0.059 0.000 1.360 144 A HN -0.153 nan 8.150 nan 0.000 0.628 145 P HA 0.023 nan 4.420 nan 0.000 0.263 145 P C -0.592 176.790 177.300 0.136 0.000 1.175 145 P CA 0.740 63.846 63.100 0.011 0.000 0.761 145 P CB 0.368 32.097 31.700 0.050 0.000 0.794 146 Y N 1.403 121.730 120.300 0.045 0.000 2.295 146 Y HA 0.477 5.027 4.550 -0.000 0.000 0.331 146 Y C 1.123 177.035 175.900 0.020 0.000 1.311 146 Y CA -1.313 56.805 58.100 0.029 0.000 1.430 146 Y CB 0.124 38.599 38.460 0.025 0.000 1.339 146 Y HN 0.443 nan 8.280 nan 0.000 0.552 147 A N 1.162 124.087 122.820 0.175 0.000 2.413 147 A HA 0.596 4.916 4.320 -0.000 0.000 0.307 147 A C -0.778 176.835 177.584 0.048 0.000 1.087 147 A CA -1.161 50.928 52.037 0.088 0.000 0.750 147 A CB 1.021 20.052 19.000 0.052 0.000 1.296 147 A HN 0.695 nan 8.150 nan 0.000 0.423 148 K N 0.378 120.801 120.400 0.037 0.000 2.350 148 K HA 0.401 4.721 4.320 -0.000 0.000 0.279 148 K C 1.120 177.716 176.600 -0.007 0.000 1.027 148 K CA 1.030 57.328 56.287 0.018 0.000 0.969 148 K CB 0.470 32.987 32.500 0.028 0.000 0.954 148 K HN 1.558 nan 8.250 nan 0.000 0.474 149 G N 1.829 110.611 108.800 -0.029 0.000 2.180 149 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.263 149 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.263 149 G C 0.467 175.336 174.900 -0.052 0.000 0.989 149 G CA 0.296 45.370 45.100 -0.042 0.000 0.692 149 G HN 0.844 nan 8.290 nan 0.000 0.526 150 G N -0.950 107.817 108.800 -0.054 0.000 2.531 150 G HA2 0.603 4.563 3.960 -0.000 0.000 0.313 150 G HA3 0.603 4.563 3.960 -0.000 0.000 0.313 150 G C -0.219 174.619 174.900 -0.104 0.000 1.238 150 G CA -0.791 44.275 45.100 -0.056 0.000 0.994 150 G HN 0.344 nan 8.290 nan 0.000 0.493 151 K N 0.170 120.515 120.400 -0.092 0.000 2.281 151 K HA 0.383 4.703 4.320 -0.000 0.000 0.272 151 K C -0.995 175.519 176.600 -0.143 0.000 1.048 151 K CA -0.299 55.914 56.287 -0.122 0.000 0.898 151 K CB 1.714 34.172 32.500 -0.069 0.000 1.128 151 K HN 0.184 nan 8.250 nan 0.000 0.460 152 I N 1.476 121.892 120.570 -0.256 0.000 2.392 152 I HA 0.309 4.479 4.170 -0.000 0.000 0.295 152 I C 0.546 176.518 176.117 -0.242 0.000 0.985 152 I CA -0.160 60.927 61.300 -0.355 0.000 1.221 152 I CB 1.924 39.478 38.000 -0.744 0.000 1.366 152 I HN 0.605 nan 8.210 nan 0.000 0.467 153 G N 6.689 115.411 108.800 -0.130 0.000 2.626 153 G HA2 0.652 4.612 3.960 -0.000 0.000 0.304 153 G HA3 0.652 4.612 3.960 -0.000 0.000 0.304 153 G C -1.001 173.860 174.900 -0.063 0.000 1.385 153 G CA -0.540 44.460 45.100 -0.166 0.000 0.957 153 G HN 0.445 nan 8.290 nan 0.000 0.504 154 L N 2.573 123.710 121.223 -0.143 0.000 2.272 154 L HA 0.435 4.775 4.340 -0.000 0.000 0.284 154 L C -0.700 176.116 176.870 -0.090 0.000 1.045 154 L CA -0.634 54.209 54.840 0.006 0.000 0.842 154 L CB 0.532 42.618 42.059 0.044 0.000 1.224 154 L HN 0.321 nan 8.230 nan 0.000 0.430 155 F N 1.507 121.451 119.950 -0.011 0.000 2.394 155 F HA 0.720 5.247 4.527 0.000 0.000 0.340 155 F C 0.980 176.762 175.800 -0.030 0.000 1.105 155 F CA -0.345 57.623 58.000 -0.053 0.000 1.124 155 F CB 1.854 40.807 39.000 -0.078 0.000 1.145 155 F HN 0.435 nan 8.300 nan 0.000 0.505 156 G N 1.044 109.885 108.800 0.069 0.000 2.691 156 G HA2 0.485 4.445 3.960 -0.000 0.000 0.298 156 G HA3 0.485 4.445 3.960 -0.000 0.000 0.298 156 G C -0.710 174.090 174.900 -0.166 0.000 1.471 156 G CA -0.509 44.593 45.100 0.004 0.000 0.912 156 G HN 0.909 nan 8.290 nan 0.000 0.553 157 G N -0.249 108.446 108.800 -0.176 0.000 2.651 157 G HA2 0.636 4.596 3.960 -0.000 0.000 0.260 157 G HA3 0.636 4.596 3.960 -0.000 0.000 0.260 157 G C 0.843 175.634 174.900 -0.182 0.000 1.216 157 G CA 0.427 45.341 45.100 -0.309 0.000 0.913 157 G HN 1.718 nan 8.290 nan 0.000 0.535 158 A N -0.810 121.942 122.820 -0.114 0.000 2.566 158 A HA 0.489 4.809 4.320 -0.000 0.000 0.245 158 A C 1.690 179.334 177.584 0.101 0.000 1.056 158 A CA 1.239 53.379 52.037 0.171 0.000 0.757 158 A CB -0.633 18.506 19.000 0.231 0.000 0.979 158 A HN 2.618 nan 8.150 nan 0.000 0.508 159 G N 1.195 110.062 108.800 0.112 0.000 2.155 159 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 159 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 159 G C 0.681 175.626 174.900 0.076 0.000 0.983 159 G CA 0.525 45.670 45.100 0.074 0.000 0.676 159 G HN 1.287 nan 8.290 nan 0.000 0.528 160 V N -0.631 119.333 119.914 0.083 0.000 3.052 160 V HA 0.481 4.601 4.120 -0.000 0.000 0.254 160 V C 2.122 178.316 176.094 0.167 0.000 1.100 160 V CA 1.952 64.318 62.300 0.110 0.000 1.112 160 V CB 0.217 32.075 31.823 0.058 0.000 0.738 160 V HN 1.840 nan 8.190 nan 0.000 0.469 161 G N -0.210 108.669 108.800 0.131 0.000 2.456 161 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.208 161 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.208 161 G C 0.651 175.639 174.900 0.147 0.000 1.004 161 G CA 0.157 45.344 45.100 0.145 0.000 0.791 161 G HN 0.373 nan 8.290 nan 0.000 0.537 162 K N 0.160 120.637 120.400 0.128 0.000 1.985 162 K HA -0.035 4.285 4.320 -0.000 0.000 0.210 162 K C 2.500 179.183 176.600 0.138 0.000 1.047 162 K CA 1.931 58.296 56.287 0.129 0.000 0.932 162 K CB -0.395 32.170 32.500 0.108 0.000 0.716 162 K HN 0.216 nan 8.250 nan 0.000 0.439 163 T N 1.394 116.025 114.554 0.128 0.000 2.708 163 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 163 T C 2.114 176.891 174.700 0.128 0.000 1.037 163 T CA 1.272 63.452 62.100 0.134 0.000 1.146 163 T CB -0.292 68.650 68.868 0.123 0.000 0.865 163 T HN -0.053 nan 8.240 nan 0.000 0.435 164 V N 1.464 121.449 119.914 0.118 0.000 2.407 164 V HA -0.118 4.002 4.120 -0.000 0.000 0.248 164 V C 2.385 178.602 176.094 0.204 0.000 1.055 164 V CA 1.271 63.659 62.300 0.146 0.000 1.049 164 V CB -0.644 31.247 31.823 0.114 0.000 0.662 164 V HN 0.314 nan 8.190 nan 0.000 0.455 165 L N 0.235 121.599 121.223 0.235 0.000 2.017 165 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 165 L C 2.204 179.167 176.870 0.154 0.000 1.073 165 L CA 1.915 56.908 54.840 0.255 0.000 0.745 165 L CB -0.601 41.630 42.059 0.286 0.000 0.894 165 L HN 0.284 nan 8.230 nan 0.000 0.432 166 I N -1.424 119.240 120.570 0.157 0.000 2.163 166 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 166 I C 2.381 178.532 176.117 0.056 0.000 1.085 166 I CA 1.229 62.623 61.300 0.157 0.000 1.347 166 I CB -0.680 37.440 38.000 0.200 0.000 1.044 166 I HN 0.270 nan 8.210 nan 0.000 0.408 167 M N 0.502 120.128 119.600 0.043 0.000 2.159 167 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 167 M C 2.267 178.530 176.300 -0.061 0.000 1.063 167 M CA 1.695 56.980 55.300 -0.026 0.000 1.110 167 M CB -1.308 31.295 32.600 0.006 0.000 1.374 167 M HN 0.244 nan 8.290 nan 0.000 0.411 168 E N 0.834 120.993 120.200 -0.067 0.000 2.077 168 E HA -0.118 4.232 4.350 -0.000 0.000 0.193 168 E C 2.032 178.533 176.600 -0.166 0.000 0.989 168 E CA 1.190 57.460 56.400 -0.216 0.000 0.800 168 E CB -0.295 29.047 29.700 -0.597 0.000 0.746 168 E HN 0.518 nan 8.360 nan 0.000 0.452 169 L N 0.131 121.320 121.223 -0.057 0.000 2.046 169 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 169 L C 2.554 179.459 176.870 0.059 0.000 1.077 169 L CA 1.032 55.910 54.840 0.064 0.000 0.747 169 L CB -0.474 41.727 42.059 0.237 0.000 0.896 169 L HN 0.218 nan 8.230 nan 0.000 0.432 170 I N 0.279 120.793 120.570 -0.094 0.000 2.118 170 I HA -0.368 3.802 4.170 -0.000 0.000 0.241 170 I C 2.375 178.443 176.117 -0.081 0.000 1.070 170 I CA 1.944 63.097 61.300 -0.244 0.000 1.327 170 I CB -0.412 37.300 38.000 -0.480 0.000 1.034 170 I HN 0.383 nan 8.210 nan 0.000 0.405 171 N N 0.954 119.605 118.700 -0.082 0.000 2.094 171 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 171 N C 1.548 177.044 175.510 -0.024 0.000 1.023 171 N CA 1.946 54.965 53.050 -0.051 0.000 0.857 171 N CB 0.010 38.458 38.487 -0.064 0.000 1.013 171 N HN 0.258 nan 8.380 nan 0.000 0.426 172 N N -0.804 117.882 118.700 -0.024 0.000 2.220 172 N HA -0.009 4.731 4.740 -0.000 0.000 0.182 172 N C 1.594 177.131 175.510 0.045 0.000 1.023 172 N CA 0.850 53.898 53.050 -0.003 0.000 0.856 172 N CB -0.326 38.142 38.487 -0.031 0.000 0.997 172 N HN 0.090 nan 8.380 nan 0.000 0.429 173 V N 1.183 121.146 119.914 0.082 0.000 2.300 173 V HA 0.054 4.174 4.120 -0.000 0.000 0.241 173 V C 2.354 178.526 176.094 0.130 0.000 1.034 173 V CA 1.559 63.929 62.300 0.118 0.000 1.021 173 V CB -1.041 30.881 31.823 0.164 0.000 0.662 173 V HN 0.238 nan 8.190 nan 0.000 0.458 174 A N -0.118 122.791 122.820 0.148 0.000 1.883 174 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 174 A C 2.245 179.916 177.584 0.145 0.000 1.186 174 A CA 2.201 54.326 52.037 0.148 0.000 0.624 174 A CB -0.555 18.527 19.000 0.137 0.000 0.822 174 A HN 0.514 nan 8.150 nan 0.000 0.444 175 K N -0.459 119.993 120.400 0.087 0.000 2.000 175 K HA -0.175 4.145 4.320 -0.000 0.000 0.218 175 K C 1.469 178.122 176.600 0.088 0.000 1.053 175 K CA 1.481 57.810 56.287 0.069 0.000 0.946 175 K CB -0.405 32.117 32.500 0.036 0.000 0.723 175 K HN 0.418 nan 8.250 nan 0.000 0.446 176 A N 1.737 124.610 122.820 0.088 0.000 2.916 176 A HA 0.002 4.322 4.320 -0.000 0.000 0.254 176 A C -0.578 177.080 177.584 0.124 0.000 1.544 176 A CA 0.058 52.143 52.037 0.079 0.000 1.224 176 A CB -0.818 18.218 19.000 0.060 0.000 1.012 176 A HN 0.370 nan 8.150 nan 0.000 0.636 177 H N -0.861 118.223 119.070 0.024 0.000 2.529 177 H HA 0.551 5.107 4.556 -0.000 0.000 0.348 177 H C 0.265 175.586 175.328 -0.012 0.000 1.079 177 H CA 0.056 56.114 56.048 0.016 0.000 1.198 177 H CB 1.443 31.231 29.762 0.043 0.000 1.521 177 H HN 0.169 nan 8.280 nan 0.000 0.514 178 G N 2.946 111.370 108.800 -0.627 0.000 2.546 178 G HA2 0.544 4.504 3.960 -0.000 0.000 0.320 178 G HA3 0.544 4.504 3.960 -0.000 0.000 0.320 178 G C -0.234 174.122 174.900 -0.907 0.000 0.984 178 G CA 0.236 45.004 45.100 -0.552 0.000 1.183 178 G HN 0.947 nan 8.290 nan 0.000 0.443 179 G N 1.019 109.412 108.800 -0.677 0.000 2.356 179 G HA2 0.320 4.280 3.960 -0.000 0.000 0.300 179 G HA3 0.320 4.280 3.960 -0.000 0.000 0.300 179 G C -1.604 173.225 174.900 -0.118 0.000 1.331 179 G CA -1.012 43.807 45.100 -0.468 0.000 0.905 179 G HN 0.335 nan 8.290 nan 0.000 0.587 180 Y N 0.163 120.478 120.300 0.024 0.000 2.376 180 Y HA 0.787 5.337 4.550 -0.000 0.000 0.325 180 Y C 0.922 176.853 175.900 0.051 0.000 1.199 180 Y CA -1.057 56.980 58.100 -0.106 0.000 1.206 180 Y CB 2.052 40.145 38.460 -0.611 0.000 1.229 180 Y HN 0.454 nan 8.280 nan 0.000 0.480 181 S N 0.871 116.722 115.700 0.252 0.000 2.513 181 S HA 0.742 5.212 4.470 -0.000 0.000 0.299 181 S C -1.186 173.578 174.600 0.275 0.000 1.087 181 S CA -0.740 57.612 58.200 0.253 0.000 1.012 181 S CB 1.649 65.016 63.200 0.278 0.000 1.044 181 S HN 0.308 nan 8.310 nan 0.000 0.485 182 V N 3.348 123.433 119.914 0.284 0.000 2.588 182 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 182 V C -1.328 174.922 176.094 0.261 0.000 1.042 182 V CA -0.660 61.794 62.300 0.256 0.000 0.877 182 V CB 1.495 33.435 31.823 0.195 0.000 0.996 182 V HN 0.839 nan 8.190 nan 0.000 0.425 183 F N 4.194 124.208 119.950 0.108 0.000 2.445 183 F HA 0.779 5.306 4.527 -0.000 0.000 0.348 183 F C 0.242 175.972 175.800 -0.117 0.000 1.125 183 F CA -0.695 57.336 58.000 0.052 0.000 0.983 183 F CB 1.227 40.248 39.000 0.036 0.000 1.198 183 F HN 0.554 nan 8.300 nan 0.000 0.436 184 A N 4.549 127.144 122.820 -0.375 0.000 2.253 184 A HA 0.617 4.937 4.320 -0.000 0.000 0.316 184 A C 0.286 177.620 177.584 -0.417 0.000 1.327 184 A CA -0.249 51.599 52.037 -0.314 0.000 0.917 184 A CB -0.018 18.837 19.000 -0.241 0.000 1.162 184 A HN 0.995 nan 8.150 nan 0.000 0.535 185 G N 1.294 109.752 108.800 -0.571 0.000 2.351 185 G HA2 0.483 4.443 3.960 -0.000 0.000 0.287 185 G HA3 0.483 4.443 3.960 -0.000 0.000 0.287 185 G C -0.517 174.299 174.900 -0.139 0.000 1.159 185 G CA -0.086 44.760 45.100 -0.424 0.000 0.929 185 G HN 0.774 nan 8.290 nan 0.000 0.435 186 V N 2.766 122.654 119.914 -0.043 0.000 2.357 186 V HA 0.581 4.701 4.120 -0.000 0.000 0.281 186 V C 1.028 177.145 176.094 0.039 0.000 1.015 186 V CA 0.141 62.438 62.300 -0.005 0.000 0.827 186 V CB 0.745 32.552 31.823 -0.027 0.000 1.018 186 V HN 1.401 nan 8.190 nan 0.000 0.432 187 G N 3.109 111.940 108.800 0.051 0.000 2.225 187 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.267 187 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.267 187 G C 0.247 175.182 174.900 0.059 0.000 1.024 187 G CA 0.631 45.757 45.100 0.043 0.000 0.784 187 G HN 0.573 nan 8.290 nan 0.000 0.507 188 E N -0.603 119.655 120.200 0.096 0.000 3.032 188 E HA 0.441 4.791 4.350 -0.000 0.000 0.229 188 E C 0.893 177.558 176.600 0.108 0.000 0.857 188 E CA -0.819 55.644 56.400 0.105 0.000 1.257 188 E CB 0.396 30.182 29.700 0.144 0.000 1.676 188 E HN 0.352 nan 8.360 nan 0.000 0.480 189 R N 0.608 121.177 120.500 0.116 0.000 2.216 189 R HA 0.223 4.563 4.340 -0.000 0.000 0.332 189 R C 1.127 177.479 176.300 0.087 0.000 1.056 189 R CA 0.015 56.167 56.100 0.087 0.000 0.901 189 R CB 0.443 30.787 30.300 0.074 0.000 1.039 189 R HN 0.394 nan 8.270 nan 0.000 0.456 190 T N 3.005 117.590 114.554 0.052 0.000 2.653 190 T HA -0.247 4.102 4.350 -0.000 0.000 0.268 190 T C 1.745 176.424 174.700 -0.036 0.000 1.035 190 T CA 2.101 64.196 62.100 -0.007 0.000 1.154 190 T CB -0.126 68.730 68.868 -0.020 0.000 0.862 190 T HN 0.607 nan 8.240 nan 0.000 0.441 191 R N 2.035 122.535 120.500 0.000 0.000 2.159 191 R HA -0.074 4.266 4.340 -0.000 0.000 0.237 191 R C 1.801 178.107 176.300 0.009 0.000 1.131 191 R CA 1.760 57.863 56.100 0.006 0.000 0.982 191 R CB -0.734 29.581 30.300 0.025 0.000 0.868 191 R HN 0.469 nan 8.270 nan 0.000 0.453 192 E N 0.200 120.418 120.200 0.030 0.000 2.152 192 E HA -0.019 4.331 4.350 -0.000 0.000 0.192 192 E C 2.092 178.689 176.600 -0.005 0.000 0.983 192 E CA 0.917 57.342 56.400 0.041 0.000 0.818 192 E CB -0.200 29.555 29.700 0.091 0.000 0.758 192 E HN 0.647 nan 8.360 nan 0.000 0.467 193 G N 1.636 110.396 108.800 -0.066 0.000 2.421 193 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.216 193 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.216 193 G C 1.454 176.171 174.900 -0.304 0.000 1.171 193 G CA 1.154 46.025 45.100 -0.383 0.000 0.775 193 G HN 0.214 nan 8.290 nan 0.000 0.543 194 N N 0.775 119.359 118.700 -0.193 0.000 2.084 194 N HA -0.115 4.625 4.740 -0.000 0.000 0.190 194 N C 1.742 177.245 175.510 -0.012 0.000 1.030 194 N CA 1.783 54.776 53.050 -0.095 0.000 0.849 194 N CB -0.167 38.332 38.487 0.020 0.000 1.012 194 N HN 0.174 nan 8.380 nan 0.000 0.423 195 D N 0.187 120.599 120.400 0.019 0.000 2.104 195 D HA -0.166 4.473 4.640 -0.000 0.000 0.194 195 D C 1.997 178.290 176.300 -0.012 0.000 0.994 195 D CA 0.755 54.780 54.000 0.042 0.000 0.830 195 D CB -0.540 40.280 40.800 0.032 0.000 0.959 195 D HN 0.304 nan 8.370 nan 0.000 0.452 196 L N 0.148 121.329 121.223 -0.069 0.000 1.989 196 L HA -0.235 4.105 4.340 -0.000 0.000 0.211 196 L C 2.383 179.210 176.870 -0.072 0.000 1.071 196 L CA 1.568 56.336 54.840 -0.119 0.000 0.749 196 L CB -0.818 41.096 42.059 -0.241 0.000 0.890 196 L HN -0.026 nan 8.230 nan 0.000 0.431 197 Y N 0.183 120.331 120.300 -0.253 0.000 2.081 197 Y HA -0.340 4.210 4.550 -0.000 0.000 0.280 197 Y C 2.814 178.555 175.900 -0.264 0.000 1.163 197 Y CA 2.410 60.331 58.100 -0.298 0.000 1.135 197 Y CB -0.729 37.458 38.460 -0.455 0.000 0.970 197 Y HN 0.414 nan 8.280 nan 0.000 0.498 198 H N -0.244 118.756 119.070 -0.117 0.000 2.389 198 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 198 H C 2.281 177.523 175.328 -0.143 0.000 1.081 198 H CA 1.491 57.424 56.048 -0.193 0.000 1.345 198 H CB -0.423 29.277 29.762 -0.103 0.000 1.393 198 H HN 0.562 nan 8.280 nan 0.000 0.520 199 E N 0.824 121.024 120.200 0.001 0.000 2.051 199 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 199 E C 2.117 178.684 176.600 -0.055 0.000 0.991 199 E CA 0.826 57.211 56.400 -0.025 0.000 0.799 199 E CB 0.047 29.728 29.700 -0.032 0.000 0.748 199 E HN 0.355 nan 8.360 nan 0.000 0.449 200 M N 0.278 119.830 119.600 -0.080 0.000 2.117 200 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 200 M C 2.420 178.667 176.300 -0.089 0.000 1.065 200 M CA 1.153 56.410 55.300 -0.071 0.000 1.114 200 M CB -0.198 32.373 32.600 -0.049 0.000 1.361 200 M HN 0.194 nan 8.290 nan 0.000 0.408 201 I N 0.062 120.536 120.570 -0.160 0.000 2.179 201 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 201 I C 2.528 178.592 176.117 -0.088 0.000 1.088 201 I CA 1.528 62.731 61.300 -0.161 0.000 1.357 201 I CB -0.402 37.438 38.000 -0.266 0.000 1.051 201 I HN 0.393 nan 8.210 nan 0.000 0.409 202 E N 0.908 121.067 120.200 -0.069 0.000 2.058 202 E HA -0.259 4.091 4.350 -0.000 0.000 0.194 202 E C 2.207 178.786 176.600 -0.036 0.000 0.997 202 E CA 2.021 58.394 56.400 -0.046 0.000 0.801 202 E CB 0.026 29.705 29.700 -0.035 0.000 0.746 202 E HN 0.546 nan 8.360 nan 0.000 0.450 203 S N -1.133 114.547 115.700 -0.035 0.000 2.402 203 S HA 0.024 4.494 4.470 -0.000 0.000 0.229 203 S C 1.719 176.307 174.600 -0.019 0.000 1.021 203 S CA 0.927 59.113 58.200 -0.024 0.000 0.974 203 S CB 0.093 63.280 63.200 -0.022 0.000 0.800 203 S HN 0.592 nan 8.310 nan 0.000 0.484 204 G N 0.207 108.992 108.800 -0.025 0.000 2.184 204 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.206 204 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.206 204 G C 0.829 175.725 174.900 -0.006 0.000 0.995 204 G CA 0.446 45.536 45.100 -0.017 0.000 0.651 204 G HN 1.351 nan 8.290 nan 0.000 0.511 205 V N -1.350 118.561 119.914 -0.005 0.000 2.667 205 V HA 0.348 4.468 4.120 -0.000 0.000 0.252 205 V C 1.018 177.121 176.094 0.015 0.000 1.065 205 V CA 1.155 63.464 62.300 0.014 0.000 1.083 205 V CB -0.165 31.671 31.823 0.021 0.000 0.692 205 V HN 0.319 nan 8.190 nan 0.000 0.468 206 I N 3.206 123.772 120.570 -0.006 0.000 2.371 206 I HA 0.465 4.635 4.170 -0.000 0.000 0.282 206 I C -0.395 175.709 176.117 -0.021 0.000 1.031 206 I CA -0.353 60.946 61.300 -0.002 0.000 1.180 206 I CB 0.445 38.439 38.000 -0.011 0.000 1.336 206 I HN 0.302 nan 8.210 nan 0.000 0.467 207 N N 6.836 125.533 118.700 -0.005 0.000 2.422 207 N HA 0.278 5.018 4.740 -0.000 0.000 0.266 207 N C 0.558 176.066 175.510 -0.003 0.000 1.007 207 N CA -0.336 52.708 53.050 -0.010 0.000 0.941 207 N CB 1.595 40.080 38.487 -0.003 0.000 1.115 207 N HN 0.495 nan 8.380 nan 0.000 0.492 208 L N 2.465 123.682 121.223 -0.010 0.000 2.599 208 L HA 0.060 4.400 4.340 -0.000 0.000 0.230 208 L C 1.598 178.474 176.870 0.009 0.000 1.141 208 L CA 0.445 55.289 54.840 0.007 0.000 0.877 208 L CB -0.032 42.029 42.059 0.003 0.000 1.009 208 L HN 0.395 nan 8.230 nan 0.000 0.447 209 K N -0.232 120.170 120.400 0.004 0.000 2.448 209 K HA 0.198 4.518 4.320 -0.000 0.000 0.220 209 K C 0.142 176.745 176.600 0.005 0.000 1.259 209 K CA 0.113 56.403 56.287 0.005 0.000 0.810 209 K CB -0.028 32.473 32.500 0.001 0.000 1.540 209 K HN 0.106 nan 8.250 nan 0.000 0.434 210 D N 0.736 121.139 120.400 0.004 0.000 2.354 210 D HA 0.125 4.765 4.640 -0.000 0.000 0.238 210 D C 0.215 176.518 176.300 0.006 0.000 1.250 210 D CA 0.256 54.260 54.000 0.005 0.000 0.911 210 D CB 0.596 41.399 40.800 0.005 0.000 1.163 210 D HN 0.265 nan 8.370 nan 0.000 0.456 211 A N 0.277 123.101 122.820 0.007 0.000 2.532 211 A HA 0.127 4.447 4.320 -0.000 0.000 0.273 211 A C 1.224 178.811 177.584 0.005 0.000 1.342 211 A CA -0.239 51.800 52.037 0.003 0.000 0.929 211 A CB -0.682 18.320 19.000 0.005 0.000 1.051 211 A HN 0.562 nan 8.150 nan 0.000 0.521 212 T N -2.333 112.228 114.554 0.011 0.000 3.188 212 T HA 0.157 4.507 4.350 -0.000 0.000 0.250 212 T C 0.570 175.284 174.700 0.024 0.000 1.077 212 T CA 0.196 62.310 62.100 0.024 0.000 0.967 212 T CB -0.489 68.393 68.868 0.023 0.000 1.006 212 T HN 0.184 nan 8.240 nan 0.000 0.552 213 S N 2.306 118.008 115.700 0.003 0.000 2.562 213 S HA 0.243 4.713 4.470 -0.000 0.000 0.281 213 S C 0.926 175.521 174.600 -0.007 0.000 1.333 213 S CA -0.720 57.482 58.200 0.004 0.000 1.052 213 S CB 0.844 64.044 63.200 -0.000 0.000 0.884 213 S HN 0.325 nan 8.310 nan 0.000 0.506 214 K N 0.773 121.201 120.400 0.046 0.000 2.373 214 K HA 0.237 4.557 4.320 -0.000 0.000 0.200 214 K C -0.244 176.411 176.600 0.092 0.000 1.054 214 K CA 0.221 56.577 56.287 0.116 0.000 1.065 214 K CB 0.351 32.963 32.500 0.186 0.000 0.886 214 K HN 0.390 nan 8.250 nan 0.000 0.546 215 V N 1.619 121.576 119.914 0.072 0.000 2.459 215 V HA 0.574 4.694 4.120 -0.000 0.000 0.295 215 V C -0.274 175.887 176.094 0.113 0.000 1.029 215 V CA -1.334 61.035 62.300 0.116 0.000 0.874 215 V CB 1.533 33.432 31.823 0.127 0.000 0.985 215 V HN 0.145 nan 8.190 nan 0.000 0.438 216 A N 5.822 128.742 122.820 0.166 0.000 2.305 216 A HA 0.899 5.219 4.320 -0.000 0.000 0.322 216 A C -0.769 176.928 177.584 0.188 0.000 1.187 216 A CA -0.515 51.625 52.037 0.172 0.000 0.825 216 A CB 0.670 19.812 19.000 0.236 0.000 1.164 216 A HN 0.807 nan 8.150 nan 0.000 0.498 217 L N 2.200 123.525 121.223 0.169 0.000 2.346 217 L HA 0.701 5.041 4.340 -0.000 0.000 0.274 217 L C -0.963 176.012 176.870 0.175 0.000 1.007 217 L CA -0.927 54.045 54.840 0.220 0.000 0.818 217 L CB 2.001 44.235 42.059 0.291 0.000 1.284 217 L HN 0.404 nan 8.230 nan 0.000 0.424 218 V N 2.530 122.514 119.914 0.116 0.000 2.569 218 V HA 0.485 4.605 4.120 -0.000 0.000 0.301 218 V C -1.312 174.748 176.094 -0.055 0.000 1.044 218 V CA -0.641 61.695 62.300 0.059 0.000 0.874 218 V CB 1.823 33.642 31.823 -0.006 0.000 1.002 218 V HN 0.459 nan 8.190 nan 0.000 0.424 219 Y N 1.371 121.688 120.300 0.030 0.000 2.512 219 Y HA 0.803 5.353 4.550 -0.000 0.000 0.348 219 Y C 0.574 176.483 175.900 0.015 0.000 0.990 219 Y CA -0.760 57.361 58.100 0.035 0.000 1.033 219 Y CB 2.888 41.357 38.460 0.015 0.000 1.259 219 Y HN 0.698 nan 8.280 nan 0.000 0.461 220 G N 2.732 111.638 108.800 0.176 0.000 3.982 220 G HA2 0.230 4.190 3.960 -0.000 0.000 0.274 220 G HA3 0.230 4.190 3.960 -0.000 0.000 0.274 220 G C -1.029 173.934 174.900 0.105 0.000 1.847 220 G CA -0.614 44.548 45.100 0.104 0.000 0.608 220 G HN 0.283 nan 8.290 nan 0.000 0.407 221 Q N 0.689 120.571 119.800 0.137 0.000 2.397 221 Q HA 0.292 4.632 4.340 -0.000 0.000 0.193 221 Q C 1.943 177.981 176.000 0.064 0.000 1.083 221 Q CA -0.507 55.367 55.803 0.119 0.000 1.108 221 Q CB 0.553 29.376 28.738 0.142 0.000 1.172 221 Q HN 0.534 nan 8.270 nan 0.000 0.617 222 M N 0.596 120.227 119.600 0.052 0.000 2.623 222 M HA -0.179 4.301 4.480 -0.000 0.000 0.258 222 M C 1.174 177.485 176.300 0.019 0.000 1.067 222 M CA 1.347 56.663 55.300 0.026 0.000 1.068 222 M CB -0.776 31.836 32.600 0.021 0.000 1.409 222 M HN 0.555 nan 8.290 nan 0.000 0.504 223 N N -0.500 118.215 118.700 0.024 0.000 2.336 223 N HA 0.036 4.776 4.740 -0.000 0.000 0.189 223 N C -0.098 175.419 175.510 0.012 0.000 1.113 223 N CA -0.189 52.870 53.050 0.015 0.000 0.858 223 N CB 0.242 38.737 38.487 0.014 0.000 0.970 223 N HN 0.187 nan 8.380 nan 0.000 0.471 224 E N 2.033 122.242 120.200 0.016 0.000 2.277 224 E HA 0.295 4.645 4.350 -0.000 0.000 0.274 224 E C -2.203 174.397 176.600 0.001 0.000 1.022 224 E CA -2.185 54.222 56.400 0.011 0.000 0.853 224 E CB 1.008 30.720 29.700 0.018 0.000 1.086 224 E HN 0.148 nan 8.360 nan 0.000 0.397 225 P HA 0.027 nan 4.420 nan 0.000 0.271 225 P C -1.887 175.404 177.300 -0.016 0.000 1.233 225 P CA -0.968 62.127 63.100 -0.008 0.000 0.789 225 P CB -0.056 31.641 31.700 -0.006 0.000 0.951 226 P HA -0.203 nan 4.420 nan 0.000 0.216 226 P C 1.612 178.886 177.300 -0.043 0.000 1.153 226 P CA 2.152 65.226 63.100 -0.043 0.000 0.858 226 P CB -0.728 30.942 31.700 -0.049 0.000 0.789 227 G N 0.271 109.055 108.800 -0.027 0.000 2.442 227 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 227 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 227 G C 1.803 176.699 174.900 -0.007 0.000 1.141 227 G CA 1.103 46.193 45.100 -0.017 0.000 0.763 227 G HN 0.405 nan 8.290 nan 0.000 0.554 228 A N 0.339 123.157 122.820 -0.003 0.000 1.930 228 A HA 0.158 4.478 4.320 -0.000 0.000 0.215 228 A C 2.387 179.977 177.584 0.009 0.000 1.176 228 A CA 1.160 53.201 52.037 0.007 0.000 0.632 228 A CB -0.252 18.755 19.000 0.011 0.000 0.819 228 A HN 0.313 nan 8.150 nan 0.000 0.445 229 R N -0.586 119.913 120.500 -0.003 0.000 2.189 229 R HA 0.039 4.379 4.340 -0.000 0.000 0.218 229 R C 2.068 178.372 176.300 0.006 0.000 1.074 229 R CA 0.845 56.945 56.100 0.000 0.000 0.991 229 R CB -0.226 30.062 30.300 -0.019 0.000 0.883 229 R HN 0.487 nan 8.270 nan 0.000 0.457 230 A N 0.362 123.165 122.820 -0.029 0.000 2.167 230 A HA -0.001 4.319 4.320 -0.000 0.000 0.214 230 A C 1.653 179.299 177.584 0.105 0.000 1.151 230 A CA 0.709 52.708 52.037 -0.063 0.000 0.735 230 A CB 0.159 19.055 19.000 -0.173 0.000 0.802 230 A HN 0.063 nan 8.150 nan 0.000 0.467 231 R N -0.993 119.553 120.500 0.077 0.000 2.394 231 R HA 0.084 4.423 4.340 -0.000 0.000 0.220 231 R C 1.767 178.082 176.300 0.025 0.000 0.887 231 R CA 1.156 57.295 56.100 0.065 0.000 1.034 231 R CB -0.520 29.792 30.300 0.020 0.000 1.179 231 R HN 0.437 nan 8.270 nan 0.000 0.561 232 V N 0.124 120.053 119.914 0.025 0.000 2.380 232 V HA -0.194 3.926 4.120 -0.000 0.000 0.251 232 V C 2.482 178.553 176.094 -0.038 0.000 1.063 232 V CA 2.035 64.331 62.300 -0.006 0.000 1.055 232 V CB -1.306 30.516 31.823 -0.002 0.000 0.657 232 V HN 0.157 nan 8.190 nan 0.000 0.455 233 A N 0.603 123.409 122.820 -0.023 0.000 1.940 233 A HA -0.087 4.233 4.320 -0.000 0.000 0.219 233 A C 2.271 179.771 177.584 -0.139 0.000 1.176 233 A CA 2.108 54.077 52.037 -0.112 0.000 0.631 233 A CB -0.605 18.286 19.000 -0.182 0.000 0.814 233 A HN 0.563 nan 8.150 nan 0.000 0.446 234 L N -0.949 120.210 121.223 -0.107 0.000 2.141 234 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 234 L C 2.724 179.518 176.870 -0.127 0.000 1.094 234 L CA 1.646 56.406 54.840 -0.133 0.000 0.763 234 L CB -0.959 41.009 42.059 -0.152 0.000 0.908 234 L HN 0.353 nan 8.230 nan 0.000 0.437 235 T N -0.262 114.230 114.554 -0.102 0.000 2.737 235 T HA -0.112 4.238 4.350 -0.000 0.000 0.265 235 T C 1.807 176.457 174.700 -0.084 0.000 1.038 235 T CA 1.468 63.516 62.100 -0.087 0.000 1.144 235 T CB -0.456 68.378 68.868 -0.057 0.000 0.866 235 T HN 0.529 nan 8.240 nan 0.000 0.434 236 G N 1.255 110.003 108.800 -0.086 0.000 2.448 236 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.218 236 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.218 236 G C 1.551 176.399 174.900 -0.086 0.000 1.135 236 G CA 0.673 45.726 45.100 -0.078 0.000 0.784 236 G HN 0.448 nan 8.290 nan 0.000 0.543 237 L N 0.883 122.040 121.223 -0.110 0.000 2.056 237 L HA 0.050 4.390 4.340 -0.000 0.000 0.207 237 L C 2.636 179.451 176.870 -0.092 0.000 1.078 237 L CA 2.619 57.393 54.840 -0.110 0.000 0.749 237 L CB -1.125 40.850 42.059 -0.141 0.000 0.901 237 L HN 0.093 nan 8.230 nan 0.000 0.433 238 T N -0.517 113.978 114.554 -0.097 0.000 2.759 238 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 238 T C 1.982 176.613 174.700 -0.114 0.000 1.042 238 T CA 1.742 63.787 62.100 -0.090 0.000 1.140 238 T CB -0.499 68.314 68.868 -0.091 0.000 0.864 238 T HN 0.253 nan 8.240 nan 0.000 0.455 239 V N 1.606 121.439 119.914 -0.135 0.000 2.343 239 V HA -0.151 3.969 4.120 -0.000 0.000 0.247 239 V C 2.873 178.816 176.094 -0.252 0.000 1.051 239 V CA 1.653 63.818 62.300 -0.225 0.000 1.036 239 V CB -1.160 30.577 31.823 -0.142 0.000 0.654 239 V HN 0.536 nan 8.190 nan 0.000 0.451 240 A N -0.569 122.204 122.820 -0.078 0.000 1.969 240 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 240 A C 2.154 179.744 177.584 0.010 0.000 1.169 240 A CA 1.684 53.742 52.037 0.034 0.000 0.635 240 A CB -0.435 18.584 19.000 0.032 0.000 0.810 240 A HN 0.610 nan 8.150 nan 0.000 0.445 241 E N -1.469 118.708 120.200 -0.038 0.000 2.058 241 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 241 E C 1.815 178.409 176.600 -0.009 0.000 0.997 241 E CA 1.673 58.059 56.400 -0.023 0.000 0.801 241 E CB -0.355 29.327 29.700 -0.030 0.000 0.746 241 E HN 0.787 nan 8.360 nan 0.000 0.450 242 Y N 0.462 120.643 120.300 -0.198 0.000 2.070 242 Y HA -0.307 4.243 4.550 -0.000 0.000 0.280 242 Y C 1.937 177.793 175.900 -0.073 0.000 1.148 242 Y CA 1.824 59.799 58.100 -0.209 0.000 1.125 242 Y CB -0.328 37.900 38.460 -0.386 0.000 0.975 242 Y HN -0.019 nan 8.280 nan 0.000 0.492 243 F N 0.424 120.509 119.950 0.224 0.000 2.161 243 F HA -0.186 4.341 4.527 -0.000 0.000 0.300 243 F C 2.713 178.531 175.800 0.031 0.000 1.089 243 F CA 1.759 59.860 58.000 0.168 0.000 1.282 243 F CB -1.142 38.025 39.000 0.279 0.000 1.010 243 F HN 0.067 nan 8.300 nan 0.000 0.485 244 R N 0.331 120.936 120.500 0.175 0.000 2.073 244 R HA -0.146 4.194 4.340 -0.000 0.000 0.234 244 R C 1.551 177.851 176.300 0.000 0.000 1.134 244 R CA 2.100 58.245 56.100 0.074 0.000 0.952 244 R CB -0.239 30.084 30.300 0.037 0.000 0.850 244 R HN 0.187 nan 8.270 nan 0.000 0.433 245 D N -0.086 120.282 120.400 -0.053 0.000 2.394 245 D HA -0.052 4.588 4.640 -0.000 0.000 0.237 245 D C 1.549 177.750 176.300 -0.164 0.000 1.028 245 D CA 0.561 54.506 54.000 -0.093 0.000 0.937 245 D CB -0.452 40.295 40.800 -0.089 0.000 1.072 245 D HN 0.091 nan 8.370 nan 0.000 0.457 246 Q N 0.753 120.351 119.800 -0.336 0.000 2.518 246 Q HA 0.002 4.342 4.340 -0.000 0.000 0.217 246 Q C 0.372 176.136 176.000 -0.393 0.000 0.974 246 Q CA 0.654 56.159 55.803 -0.496 0.000 0.971 246 Q CB 0.080 28.187 28.738 -1.051 0.000 0.988 246 Q HN 0.542 nan 8.270 nan 0.000 0.536 247 E N -1.636 118.453 120.200 -0.185 0.000 2.642 247 E HA 0.090 4.440 4.350 -0.000 0.000 0.206 247 E C 0.101 176.689 176.600 -0.019 0.000 0.939 247 E CA 0.187 56.562 56.400 -0.041 0.000 1.372 247 E CB 0.810 30.579 29.700 0.114 0.000 1.334 247 E HN 0.303 nan 8.360 nan 0.000 0.709 248 G N 3.224 112.004 108.800 -0.034 0.000 2.334 248 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.279 248 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.279 248 G C -0.044 174.842 174.900 -0.024 0.000 0.918 248 G CA 0.904 45.988 45.100 -0.027 0.000 1.314 248 G HN -0.022 nan 8.290 nan 0.000 0.463 249 Q N -0.051 119.747 119.800 -0.003 0.000 2.451 249 Q HA 0.323 4.663 4.340 -0.000 0.000 0.281 249 Q C -0.615 175.390 176.000 0.008 0.000 1.099 249 Q CA -0.831 54.951 55.803 -0.035 0.000 0.806 249 Q CB 1.690 30.387 28.738 -0.069 0.000 1.419 249 Q HN 0.424 nan 8.270 nan 0.000 0.427 250 D N 1.497 121.898 120.400 0.001 0.000 2.352 250 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 250 D C -0.151 176.273 176.300 0.205 0.000 1.224 250 D CA 0.084 54.147 54.000 0.104 0.000 0.879 250 D CB 0.816 41.724 40.800 0.179 0.000 1.057 250 D HN 0.066 nan 8.370 nan 0.000 0.491 251 V N 3.001 122.994 119.914 0.132 0.000 2.716 251 V HA 0.390 4.510 4.120 -0.000 0.000 0.304 251 V C 0.551 176.630 176.094 -0.025 0.000 1.053 251 V CA -0.807 61.571 62.300 0.131 0.000 0.984 251 V CB 1.634 33.559 31.823 0.170 0.000 1.021 251 V HN 0.317 nan 8.190 nan 0.000 0.467 252 L N 4.340 125.511 121.223 -0.088 0.000 2.346 252 L HA 0.629 4.969 4.340 -0.000 0.000 0.276 252 L C -0.952 175.802 176.870 -0.194 0.000 1.006 252 L CA -0.607 54.079 54.840 -0.257 0.000 0.817 252 L CB 1.769 43.664 42.059 -0.273 0.000 1.272 252 L HN 0.446 nan 8.230 nan 0.000 0.421 253 L N 3.364 124.351 121.223 -0.394 0.000 2.372 253 L HA 0.587 4.927 4.340 -0.000 0.000 0.274 253 L C -1.495 175.060 176.870 -0.525 0.000 0.988 253 L CA 0.104 54.772 54.840 -0.287 0.000 0.833 253 L CB 1.227 43.164 42.059 -0.203 0.000 1.236 253 L HN 0.219 nan 8.230 nan 0.000 0.410 254 F N 5.889 125.692 119.950 -0.245 0.000 2.444 254 F HA 0.630 5.157 4.527 -0.000 0.000 0.342 254 F C -0.037 175.347 175.800 -0.694 0.000 1.121 254 F CA -0.400 57.361 58.000 -0.398 0.000 0.997 254 F CB 1.529 40.332 39.000 -0.328 0.000 1.130 254 F HN 0.247 nan 8.300 nan 0.000 0.454 255 I N 2.943 123.277 120.570 -0.392 0.000 2.436 255 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 255 I C -1.244 174.688 176.117 -0.308 0.000 1.010 255 I CA -0.533 60.509 61.300 -0.429 0.000 1.098 255 I CB 1.946 39.773 38.000 -0.288 0.000 1.266 255 I HN 0.412 nan 8.210 nan 0.000 0.434 256 D N 5.968 126.202 120.400 -0.277 0.000 2.575 256 D HA 0.262 4.902 4.640 -0.000 0.000 0.250 256 D C -1.477 174.833 176.300 0.017 0.000 1.279 256 D CA -0.305 53.673 54.000 -0.036 0.000 0.925 256 D CB 1.308 42.188 40.800 0.133 0.000 1.261 256 D HN 0.408 nan 8.370 nan 0.000 0.567 257 N N 4.256 122.978 118.700 0.037 0.000 2.296 257 N HA 0.165 4.905 4.740 -0.000 0.000 0.294 257 N C 0.507 176.050 175.510 0.055 0.000 1.033 257 N CA -0.510 52.575 53.050 0.057 0.000 0.839 257 N CB 1.652 40.223 38.487 0.140 0.000 1.395 257 N HN 0.302 nan 8.380 nan 0.000 0.479 258 I N 3.958 124.534 120.570 0.010 0.000 2.756 258 I HA -0.046 4.124 4.170 -0.000 0.000 0.262 258 I C 1.550 177.736 176.117 0.115 0.000 1.225 258 I CA 0.604 61.902 61.300 -0.003 0.000 1.472 258 I CB -0.683 37.248 38.000 -0.115 0.000 1.094 258 I HN 0.613 nan 8.210 nan 0.000 0.454 259 F N 1.175 121.147 119.950 0.038 0.000 2.234 259 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 259 F C 2.222 178.096 175.800 0.123 0.000 1.087 259 F CA 1.195 59.255 58.000 0.100 0.000 1.340 259 F CB -0.347 38.747 39.000 0.155 0.000 1.031 259 F HN -0.068 nan 8.300 nan 0.000 0.500 260 R N 0.184 120.659 120.500 -0.043 0.000 2.200 260 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 260 R C 2.133 178.347 176.300 -0.143 0.000 1.127 260 R CA 1.401 57.409 56.100 -0.154 0.000 0.989 260 R CB -1.745 28.557 30.300 0.004 0.000 0.869 260 R HN 0.516 nan 8.270 nan 0.000 0.459 261 F N 1.573 121.410 119.950 -0.187 0.000 2.113 261 F HA -0.170 4.357 4.527 -0.000 0.000 0.297 261 F C 1.987 177.683 175.800 -0.175 0.000 1.103 261 F CA 1.676 59.586 58.000 -0.149 0.000 1.248 261 F CB -0.408 38.520 39.000 -0.119 0.000 0.999 261 F HN -0.126 nan 8.300 nan 0.000 0.475 262 T N 0.212 114.632 114.554 -0.222 0.000 2.777 262 T HA -0.237 4.113 4.350 -0.000 0.000 0.266 262 T C 1.905 176.407 174.700 -0.331 0.000 1.040 262 T CA 1.603 63.514 62.100 -0.315 0.000 1.141 262 T CB -0.418 68.379 68.868 -0.119 0.000 0.868 262 T HN 0.443 nan 8.240 nan 0.000 0.444 263 Q N 0.580 120.075 119.800 -0.510 0.000 2.124 263 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 263 Q C 2.493 178.354 176.000 -0.231 0.000 0.977 263 Q CA 1.422 57.003 55.803 -0.371 0.000 0.850 263 Q CB -0.298 28.089 28.738 -0.586 0.000 0.901 263 Q HN 0.536 nan 8.270 nan 0.000 0.429 264 A N 0.428 123.095 122.820 -0.255 0.000 1.908 264 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 264 A C 2.236 179.703 177.584 -0.195 0.000 1.181 264 A CA 1.747 53.669 52.037 -0.192 0.000 0.627 264 A CB -1.294 17.596 19.000 -0.183 0.000 0.818 264 A HN 0.607 nan 8.150 nan 0.000 0.445 265 G N -0.228 108.403 108.800 -0.281 0.000 2.422 265 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.218 265 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.218 265 G C 1.919 176.751 174.900 -0.112 0.000 1.140 265 G CA 1.645 46.603 45.100 -0.238 0.000 0.775 265 G HN 0.829 nan 8.290 nan 0.000 0.545 266 S N 0.687 116.350 115.700 -0.063 0.000 2.383 266 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 266 S C 1.919 176.488 174.600 -0.051 0.000 1.026 266 S CA 1.419 59.609 58.200 -0.017 0.000 0.981 266 S CB -0.286 62.906 63.200 -0.013 0.000 0.818 266 S HN 0.562 nan 8.310 nan 0.000 0.472 267 E N 1.085 121.244 120.200 -0.068 0.000 2.110 267 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 267 E C 2.307 178.879 176.600 -0.046 0.000 0.988 267 E CA 1.599 57.965 56.400 -0.057 0.000 0.804 267 E CB -0.408 29.256 29.700 -0.060 0.000 0.745 267 E HN 0.693 nan 8.360 nan 0.000 0.458 268 V N -2.042 117.841 119.914 -0.052 0.000 2.725 268 V HA -0.031 4.089 4.120 -0.000 0.000 0.247 268 V C 2.238 178.314 176.094 -0.030 0.000 1.058 268 V CA 1.287 63.564 62.300 -0.039 0.000 1.080 268 V CB 0.100 31.897 31.823 -0.044 0.000 0.713 268 V HN 0.111 nan 8.190 nan 0.000 0.465 269 S N 1.236 116.917 115.700 -0.033 0.000 2.387 269 S HA -0.211 4.259 4.470 -0.000 0.000 0.230 269 S C 2.140 176.733 174.600 -0.010 0.000 1.035 269 S CA 2.089 60.278 58.200 -0.018 0.000 1.014 269 S CB -0.586 62.609 63.200 -0.009 0.000 0.836 269 S HN 1.000 nan 8.310 nan 0.000 0.466 270 A N 1.464 124.275 122.820 -0.014 0.000 1.858 270 A HA 0.026 4.346 4.320 -0.000 0.000 0.216 270 A C 2.167 179.746 177.584 -0.009 0.000 1.190 270 A CA 1.585 53.615 52.037 -0.011 0.000 0.617 270 A CB -0.890 18.099 19.000 -0.018 0.000 0.827 270 A HN 0.587 nan 8.150 nan 0.000 0.443 271 L N -0.638 120.578 121.223 -0.011 0.000 2.362 271 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 271 L C 1.884 178.753 176.870 -0.003 0.000 1.134 271 L CA 0.422 55.258 54.840 -0.007 0.000 0.807 271 L CB -0.396 41.658 42.059 -0.009 0.000 0.927 271 L HN 0.339 nan 8.230 nan 0.000 0.447 272 L N -0.214 121.007 121.223 -0.004 0.000 2.599 272 L HA 0.131 4.471 4.340 -0.000 0.000 0.230 272 L C 1.344 178.217 176.870 0.004 0.000 1.141 272 L CA 0.438 55.278 54.840 0.001 0.000 0.877 272 L CB -0.371 41.687 42.059 -0.002 0.000 1.009 272 L HN 0.446 nan 8.230 nan 0.000 0.447 273 G N 0.971 109.773 108.800 0.003 0.000 2.182 273 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.248 273 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.248 273 G C 0.070 174.974 174.900 0.006 0.000 1.042 273 G CA -0.204 44.899 45.100 0.005 0.000 0.775 273 G HN 0.369 nan 8.290 nan 0.000 0.501 274 R N -0.671 119.832 120.500 0.006 0.000 2.474 274 R HA 0.634 4.974 4.340 -0.000 0.000 0.295 274 R C 0.952 177.258 176.300 0.011 0.000 0.980 274 R CA -0.972 55.133 56.100 0.009 0.000 0.934 274 R CB 1.260 31.566 30.300 0.010 0.000 1.101 274 R HN 0.283 nan 8.270 nan 0.000 0.469 275 I N 4.890 125.468 120.570 0.013 0.000 2.662 275 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 275 I C -1.627 174.504 176.117 0.023 0.000 1.161 275 I CA -1.492 59.818 61.300 0.016 0.000 1.415 275 I CB 0.121 38.130 38.000 0.016 0.000 1.385 275 I HN 0.292 nan 8.210 nan 0.000 0.552 276 P HA 0.033 nan 4.420 nan 0.000 0.268 276 P C -0.224 177.104 177.300 0.047 0.000 1.205 276 P CA -0.053 63.067 63.100 0.034 0.000 0.771 276 P CB 1.156 32.869 31.700 0.022 0.000 0.858 277 S N 1.698 117.441 115.700 0.072 0.000 2.566 277 S HA 0.608 5.078 4.470 -0.000 0.000 0.277 277 S C 0.070 174.731 174.600 0.102 0.000 1.150 277 S CA -0.362 57.887 58.200 0.082 0.000 1.032 277 S CB 0.107 63.360 63.200 0.090 0.000 1.157 277 S HN 0.588 nan 8.310 nan 0.000 0.507 278 A N 0.298 123.187 122.820 0.114 0.000 2.531 278 A HA 0.386 4.706 4.320 -0.000 0.000 0.236 278 A C 0.998 178.695 177.584 0.187 0.000 1.062 278 A CA 0.398 52.509 52.037 0.125 0.000 0.760 278 A CB -0.857 18.211 19.000 0.113 0.000 0.995 278 A HN 1.677 nan 8.150 nan 0.000 0.501 279 V N 1.003 120.993 119.914 0.126 0.000 3.525 279 V HA -0.305 3.815 4.120 -0.000 0.000 0.200 279 V C 1.775 177.848 176.094 -0.036 0.000 0.451 279 V CA 1.604 63.954 62.300 0.083 0.000 1.037 279 V CB -2.547 29.369 31.823 0.155 0.000 1.164 279 V HN 2.942 nan 8.190 nan 0.000 1.195 280 G N -2.796 106.002 108.800 -0.004 0.000 2.179 280 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.260 280 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.260 280 G C -0.101 174.768 174.900 -0.053 0.000 0.977 280 G CA 0.368 45.434 45.100 -0.057 0.000 0.641 280 G HN 0.885 nan 8.290 nan 0.000 0.533 281 Y N 1.844 122.162 120.300 0.030 0.000 2.330 281 Y HA 0.406 4.956 4.550 -0.000 0.000 0.341 281 Y C 1.410 177.315 175.900 0.008 0.000 1.278 281 Y CA 0.024 58.136 58.100 0.021 0.000 1.453 281 Y CB 0.434 38.918 38.460 0.039 0.000 1.342 281 Y HN 0.394 nan 8.280 nan 0.000 0.590 282 Q N 3.040 122.967 119.800 0.210 0.000 2.337 282 Q HA 0.075 4.415 4.340 -0.000 0.000 0.270 282 Q C -2.366 173.685 176.000 0.085 0.000 1.002 282 Q CA -1.667 54.193 55.803 0.095 0.000 0.888 282 Q CB 0.788 29.554 28.738 0.046 0.000 1.222 282 Q HN 0.382 nan 8.270 nan 0.000 0.400 283 P HA -0.073 nan 4.420 nan 0.000 0.230 283 P C 0.808 178.130 177.300 0.036 0.000 1.158 283 P CA 1.208 64.336 63.100 0.048 0.000 0.769 283 P CB -0.025 31.697 31.700 0.036 0.000 0.807 284 T N -4.444 110.127 114.554 0.029 0.000 3.105 284 T HA 0.167 4.517 4.350 -0.000 0.000 0.253 284 T C 1.494 176.210 174.700 0.026 0.000 1.047 284 T CA -0.335 61.780 62.100 0.024 0.000 0.944 284 T CB -0.933 67.944 68.868 0.015 0.000 1.016 284 T HN -0.047 nan 8.240 nan 0.000 0.544 285 L N 1.282 122.516 121.223 0.019 0.000 2.010 285 L HA -0.162 4.178 4.340 -0.000 0.000 0.219 285 L C 2.807 179.701 176.870 0.040 0.000 1.077 285 L CA 2.252 57.092 54.840 -0.000 0.000 0.773 285 L CB -0.681 41.339 42.059 -0.066 0.000 0.892 285 L HN 0.407 nan 8.230 nan 0.000 0.436 286 A N -1.133 121.716 122.820 0.048 0.000 1.929 286 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 286 A C 2.323 179.967 177.584 0.100 0.000 1.176 286 A CA 1.945 54.034 52.037 0.087 0.000 0.628 286 A CB -1.092 17.952 19.000 0.074 0.000 0.816 286 A HN 0.648 nan 8.150 nan 0.000 0.444 287 T N -2.013 112.585 114.554 0.073 0.000 2.812 287 T HA -0.128 4.222 4.350 -0.000 0.000 0.264 287 T C 1.363 176.111 174.700 0.081 0.000 1.042 287 T CA 1.372 63.514 62.100 0.070 0.000 1.140 287 T CB -0.495 68.402 68.868 0.047 0.000 0.870 287 T HN 0.329 nan 8.240 nan 0.000 0.445 288 D N 1.211 121.667 120.400 0.092 0.000 2.116 288 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 288 D C 1.998 178.436 176.300 0.230 0.000 0.998 288 D CA 1.371 55.464 54.000 0.156 0.000 0.836 288 D CB -0.465 40.405 40.800 0.117 0.000 0.951 288 D HN 0.437 nan 8.370 nan 0.000 0.449 289 M N 0.459 120.178 119.600 0.199 0.000 2.117 289 M HA -0.083 4.397 4.480 -0.000 0.000 0.262 289 M C 2.075 178.300 176.300 -0.125 0.000 1.065 289 M CA 2.152 57.504 55.300 0.086 0.000 1.114 289 M CB -0.276 32.382 32.600 0.096 0.000 1.361 289 M HN 0.020 nan 8.290 nan 0.000 0.408 290 G N -0.207 108.595 108.800 0.003 0.000 2.459 290 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.217 290 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.217 290 G C 1.451 176.336 174.900 -0.025 0.000 1.183 290 G CA 1.716 46.833 45.100 0.028 0.000 0.776 290 G HN 0.618 nan 8.290 nan 0.000 0.552 291 T N -1.630 112.929 114.554 0.009 0.000 2.849 291 T HA -0.074 4.276 4.350 -0.000 0.000 0.270 291 T C 2.177 176.851 174.700 -0.043 0.000 1.066 291 T CA 1.635 63.739 62.100 0.006 0.000 1.130 291 T CB -0.132 68.757 68.868 0.036 0.000 0.864 291 T HN 0.156 nan 8.240 nan 0.000 0.481 292 M N 0.394 119.926 119.600 -0.113 0.000 2.191 292 M HA 0.049 4.529 4.480 -0.000 0.000 0.262 292 M C 2.293 178.427 176.300 -0.277 0.000 1.083 292 M CA 1.313 56.475 55.300 -0.230 0.000 1.154 292 M CB -0.546 31.784 32.600 -0.451 0.000 1.344 292 M HN 0.213 nan 8.290 nan 0.000 0.431 293 Q N 0.431 120.014 119.800 -0.362 0.000 2.167 293 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 293 Q C 1.620 177.513 176.000 -0.180 0.000 0.970 293 Q CA 1.075 56.662 55.803 -0.360 0.000 0.855 293 Q CB -0.379 27.956 28.738 -0.673 0.000 0.911 293 Q HN 0.565 nan 8.270 nan 0.000 0.438 294 E N 0.639 120.776 120.200 -0.104 0.000 2.401 294 E HA -0.146 4.203 4.350 -0.000 0.000 0.199 294 E C 1.624 178.200 176.600 -0.040 0.000 1.023 294 E CA 0.597 56.986 56.400 -0.019 0.000 0.859 294 E CB -0.044 29.671 29.700 0.024 0.000 0.780 294 E HN 0.347 nan 8.360 nan 0.000 0.523 295 R N 0.017 120.472 120.500 -0.075 0.000 2.246 295 R HA 0.196 4.536 4.340 -0.000 0.000 0.199 295 R C 0.972 177.223 176.300 -0.081 0.000 0.984 295 R CA 0.136 56.196 56.100 -0.067 0.000 1.015 295 R CB 0.351 30.608 30.300 -0.071 0.000 0.930 295 R HN 0.052 nan 8.270 nan 0.000 0.475 296 I N 1.766 122.273 120.570 -0.107 0.000 2.224 296 I HA 0.089 4.259 4.170 -0.000 0.000 0.293 296 I C -0.032 176.031 176.117 -0.090 0.000 1.155 296 I CA 0.032 61.262 61.300 -0.116 0.000 1.297 296 I CB 0.679 38.582 38.000 -0.161 0.000 1.487 296 I HN -0.053 nan 8.210 nan 0.000 0.564 297 T N 2.209 116.721 114.554 -0.070 0.000 2.792 297 T HA 0.317 4.667 4.350 -0.000 0.000 0.303 297 T C -0.344 174.325 174.700 -0.051 0.000 1.310 297 T CA -0.278 61.788 62.100 -0.056 0.000 1.007 297 T CB 1.929 70.775 68.868 -0.038 0.000 1.335 297 T HN 0.202 nan 8.240 nan 0.000 0.504 298 T N 2.735 117.261 114.554 -0.048 0.000 2.910 298 T HA 0.628 4.978 4.350 -0.000 0.000 0.293 298 T C 0.203 174.877 174.700 -0.043 0.000 1.015 298 T CA -0.192 61.883 62.100 -0.042 0.000 1.094 298 T CB 0.776 69.619 68.868 -0.041 0.000 0.968 298 T HN 0.896 nan 8.240 nan 0.000 0.521 299 T N -0.169 114.361 114.554 -0.040 0.000 2.888 299 T HA 0.485 4.835 4.350 -0.000 0.000 0.288 299 T C 0.929 175.603 174.700 -0.044 0.000 1.063 299 T CA -1.061 61.012 62.100 -0.045 0.000 1.010 299 T CB 1.493 70.338 68.868 -0.039 0.000 1.214 299 T HN 0.375 nan 8.240 nan 0.000 0.533 300 K N -0.132 120.239 120.400 -0.049 0.000 2.362 300 K HA 0.013 4.333 4.320 -0.000 0.000 0.200 300 K C 2.047 178.626 176.600 -0.036 0.000 1.046 300 K CA 0.845 57.105 56.287 -0.044 0.000 0.952 300 K CB -0.048 32.424 32.500 -0.047 0.000 0.753 300 K HN 0.499 nan 8.250 nan 0.000 0.466 301 K N -0.246 120.134 120.400 -0.034 0.000 2.243 301 K HA 0.001 4.321 4.320 -0.000 0.000 0.201 301 K C 0.418 177.000 176.600 -0.030 0.000 1.051 301 K CA 0.676 56.943 56.287 -0.033 0.000 0.970 301 K CB 0.506 32.985 32.500 -0.035 0.000 0.755 301 K HN 0.206 nan 8.250 nan 0.000 0.465 302 G N -0.747 108.038 108.800 -0.026 0.000 2.466 302 G HA2 0.233 4.193 3.960 -0.000 0.000 0.291 302 G HA3 0.233 4.193 3.960 -0.000 0.000 0.291 302 G C -1.747 173.145 174.900 -0.014 0.000 1.460 302 G CA -0.625 44.465 45.100 -0.017 0.000 0.791 302 G HN 0.008 nan 8.290 nan 0.000 0.505 303 S N -0.691 115.006 115.700 -0.005 0.000 2.482 303 S HA 0.800 5.270 4.470 -0.000 0.000 0.303 303 S C -0.601 173.997 174.600 -0.003 0.000 1.091 303 S CA -0.720 57.474 58.200 -0.009 0.000 1.057 303 S CB 1.153 64.349 63.200 -0.007 0.000 1.031 303 S HN 0.631 nan 8.310 nan 0.000 0.485 304 I N 3.525 124.078 120.570 -0.029 0.000 2.410 304 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 304 I C -0.310 175.746 176.117 -0.102 0.000 1.009 304 I CA -0.501 60.767 61.300 -0.054 0.000 1.111 304 I CB 2.135 40.098 38.000 -0.061 0.000 1.262 304 I HN 0.588 nan 8.210 nan 0.000 0.443 305 T N 4.527 118.995 114.554 -0.143 0.000 2.747 305 T HA 0.248 4.598 4.350 -0.000 0.000 0.301 305 T C 0.253 174.762 174.700 -0.318 0.000 0.952 305 T CA -0.516 61.464 62.100 -0.200 0.000 0.983 305 T CB 0.343 69.092 68.868 -0.198 0.000 0.930 305 T HN 0.662 nan 8.240 nan 0.000 0.494 306 S N 2.300 117.821 115.700 -0.299 0.000 2.525 306 S HA 0.712 5.182 4.470 -0.000 0.000 0.290 306 S C -0.409 173.948 174.600 -0.404 0.000 1.152 306 S CA -0.832 57.149 58.200 -0.365 0.000 1.072 306 S CB 1.376 64.417 63.200 -0.264 0.000 1.027 306 S HN 0.375 nan 8.310 nan 0.000 0.500 307 V N 3.237 122.864 119.914 -0.478 0.000 2.409 307 V HA 0.415 4.535 4.120 -0.000 0.000 0.290 307 V C -0.623 175.329 176.094 -0.237 0.000 1.017 307 V CA -0.530 61.561 62.300 -0.349 0.000 0.841 307 V CB 1.116 32.776 31.823 -0.271 0.000 1.003 307 V HN 0.956 nan 8.190 nan 0.000 0.426 308 Q N 3.171 122.841 119.800 -0.218 0.000 2.333 308 Q HA 0.751 5.091 4.340 -0.000 0.000 0.265 308 Q C -0.155 175.739 176.000 -0.177 0.000 0.989 308 Q CA -0.517 55.164 55.803 -0.202 0.000 0.842 308 Q CB 2.640 31.239 28.738 -0.232 0.000 1.262 308 Q HN 0.863 nan 8.270 nan 0.000 0.451 309 A N 3.601 126.353 122.820 -0.114 0.000 2.354 309 A HA 0.605 4.925 4.320 -0.000 0.000 0.269 309 A C -0.362 177.157 177.584 -0.108 0.000 1.109 309 A CA -0.281 51.709 52.037 -0.078 0.000 0.800 309 A CB 0.218 19.227 19.000 0.016 0.000 1.045 309 A HN 0.762 nan 8.150 nan 0.000 0.489 310 I N 2.320 122.785 120.570 -0.175 0.000 2.503 310 I HA 0.153 4.323 4.170 -0.000 0.000 0.282 310 I C -0.883 175.179 176.117 -0.091 0.000 1.059 310 I CA -0.404 60.779 61.300 -0.195 0.000 1.081 310 I CB 1.292 38.888 38.000 -0.675 0.000 1.210 310 I HN 0.740 nan 8.210 nan 0.000 0.450 311 Y N 6.906 127.139 120.300 -0.111 0.000 2.511 311 Y HA 0.337 4.887 4.550 -0.000 0.000 0.332 311 Y C -0.268 175.372 175.900 -0.435 0.000 1.177 311 Y CA 0.103 58.057 58.100 -0.243 0.000 1.422 311 Y CB 0.883 39.187 38.460 -0.260 0.000 1.271 311 Y HN 0.282 nan 8.280 nan 0.000 0.550 312 V N 9.127 128.500 119.914 -0.903 0.000 2.304 312 V HA 0.278 4.398 4.120 -0.000 0.000 0.278 312 V C -2.258 173.408 176.094 -0.714 0.000 1.018 312 V CA -2.170 59.791 62.300 -0.566 0.000 0.814 312 V CB 0.795 32.474 31.823 -0.240 0.000 1.021 312 V HN 0.720 nan 8.190 nan 0.000 0.440 313 P HA 0.061 nan 4.420 nan 0.000 0.264 313 P C 0.764 178.016 177.300 -0.081 0.000 1.183 313 P CA 0.805 63.834 63.100 -0.118 0.000 0.763 313 P CB 0.605 32.364 31.700 0.098 0.000 0.807 314 A N 3.573 126.378 122.820 -0.024 0.000 2.774 314 A HA -0.280 4.040 4.320 -0.000 0.000 0.290 314 A C 0.928 178.484 177.584 -0.047 0.000 1.484 314 A CA 1.447 53.478 52.037 -0.010 0.000 0.863 314 A CB -2.512 16.505 19.000 0.028 0.000 0.989 314 A HN 0.618 nan 8.150 nan 0.000 0.554 315 D N -2.179 118.151 120.400 -0.118 0.000 3.059 315 D HA -0.193 4.447 4.640 -0.000 0.000 0.220 315 D C -0.184 176.084 176.300 -0.053 0.000 1.169 315 D CA 2.183 56.121 54.000 -0.103 0.000 0.902 315 D CB -1.306 39.456 40.800 -0.063 0.000 1.116 315 D HN 1.018 nan 8.370 nan 0.000 0.417 316 D N 0.086 120.466 120.400 -0.034 0.000 2.428 316 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 316 D C 1.436 177.759 176.300 0.038 0.000 1.123 316 D CA -0.390 53.616 54.000 0.010 0.000 0.869 316 D CB 0.263 41.082 40.800 0.031 0.000 1.032 316 D HN 0.093 nan 8.370 nan 0.000 0.506 317 L N 2.570 123.822 121.223 0.048 0.000 2.353 317 L HA -0.079 4.261 4.340 -0.000 0.000 0.220 317 L C 2.133 179.087 176.870 0.140 0.000 1.133 317 L CA 1.318 56.224 54.840 0.110 0.000 0.798 317 L CB -0.438 41.676 42.059 0.092 0.000 0.922 317 L HN 0.547 nan 8.230 nan 0.000 0.445 318 T N -4.950 109.655 114.554 0.084 0.000 3.107 318 T HA -0.031 4.319 4.350 -0.000 0.000 0.249 318 T C 0.522 175.289 174.700 0.111 0.000 1.096 318 T CA -0.405 61.744 62.100 0.081 0.000 1.012 318 T CB -0.412 68.481 68.868 0.040 0.000 0.977 318 T HN 0.203 nan 8.240 nan 0.000 0.527 319 D N 2.515 122.995 120.400 0.133 0.000 2.493 319 D HA 0.125 4.764 4.640 -0.000 0.000 0.240 319 D C -1.298 175.097 176.300 0.158 0.000 1.142 319 D CA -1.569 52.539 54.000 0.180 0.000 0.872 319 D CB 1.057 41.986 40.800 0.214 0.000 1.173 319 D HN -0.052 nan 8.370 nan 0.000 0.467 320 P HA -0.321 nan 4.420 nan 0.000 0.219 320 P C 0.823 178.076 177.300 -0.078 0.000 1.158 320 P CA 2.309 65.393 63.100 -0.027 0.000 0.895 320 P CB -0.002 31.613 31.700 -0.142 0.000 0.792 321 A N -0.149 122.596 122.820 -0.125 0.000 1.834 321 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 321 A C 0.026 177.711 177.584 0.168 0.000 1.203 321 A CA 2.860 54.925 52.037 0.046 0.000 0.621 321 A CB -2.358 16.875 19.000 0.388 0.000 0.841 321 A HN 0.221 nan 8.150 nan 0.000 0.446 322 P HA -0.135 nan 4.420 nan 0.000 0.215 322 P C 1.619 179.088 177.300 0.282 0.000 1.153 322 P CA 2.132 65.373 63.100 0.236 0.000 0.853 322 P CB -0.290 31.559 31.700 0.249 0.000 0.788 323 A N -0.216 122.798 122.820 0.323 0.000 1.940 323 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 323 A C 2.269 180.072 177.584 0.364 0.000 1.176 323 A CA 2.502 54.791 52.037 0.420 0.000 0.631 323 A CB -1.945 17.186 19.000 0.219 0.000 0.814 323 A HN 0.229 nan 8.150 nan 0.000 0.446 324 T N -0.419 114.268 114.554 0.223 0.000 2.995 324 T HA -0.049 4.301 4.350 -0.000 0.000 0.269 324 T C 1.790 176.640 174.700 0.249 0.000 1.091 324 T CA 1.607 63.822 62.100 0.191 0.000 1.128 324 T CB -0.312 68.631 68.868 0.126 0.000 0.891 324 T HN 0.571 nan 8.240 nan 0.000 0.492 325 T N 1.708 116.402 114.554 0.233 0.000 2.951 325 T HA 0.059 4.409 4.350 -0.000 0.000 0.268 325 T C 1.470 176.315 174.700 0.241 0.000 1.073 325 T CA 0.529 62.760 62.100 0.218 0.000 1.134 325 T CB -0.459 68.426 68.868 0.027 0.000 0.884 325 T HN 0.310 nan 8.240 nan 0.000 0.479 326 F N 2.263 122.395 119.950 0.305 0.000 2.087 326 F HA -0.138 4.389 4.527 0.000 0.000 0.299 326 F C 2.653 178.505 175.800 0.087 0.000 1.100 326 F CA 1.101 59.228 58.000 0.211 0.000 1.226 326 F CB -0.796 38.227 39.000 0.039 0.000 0.983 326 F HN 0.156 nan 8.300 nan 0.000 0.479 327 A N -1.630 121.285 122.820 0.158 0.000 2.216 327 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 327 A C 1.486 178.961 177.584 -0.182 0.000 1.160 327 A CA 1.046 53.055 52.037 -0.047 0.000 0.725 327 A CB -0.947 17.973 19.000 -0.133 0.000 0.784 327 A HN 0.476 nan 8.150 nan 0.000 0.472 328 H N -1.004 118.116 119.070 0.083 0.000 2.539 328 H HA 0.346 4.902 4.556 -0.000 0.000 0.269 328 H C -0.187 175.150 175.328 0.014 0.000 0.980 328 H CA 0.245 56.310 56.048 0.028 0.000 1.152 328 H CB 0.056 29.812 29.762 -0.009 0.000 1.407 328 H HN 0.362 nan 8.280 nan 0.000 0.564 329 L N 0.028 121.325 121.223 0.123 0.000 2.333 329 L HA 0.263 4.603 4.340 -0.000 0.000 0.269 329 L C 0.742 177.657 176.870 0.075 0.000 1.010 329 L CA -0.661 54.231 54.840 0.086 0.000 0.818 329 L CB 2.008 44.138 42.059 0.119 0.000 1.306 329 L HN -0.135 nan 8.230 nan 0.000 0.430 330 D N 0.730 121.158 120.400 0.046 0.000 2.355 330 D HA 0.223 4.863 4.640 -0.000 0.000 0.206 330 D C 0.218 176.566 176.300 0.080 0.000 1.010 330 D CA 0.535 54.564 54.000 0.049 0.000 0.875 330 D CB 1.193 42.008 40.800 0.024 0.000 0.966 330 D HN 0.510 nan 8.370 nan 0.000 0.512 331 A N 0.724 123.597 122.820 0.088 0.000 2.488 331 A HA 0.560 4.880 4.320 -0.000 0.000 0.298 331 A C -0.453 177.243 177.584 0.187 0.000 1.044 331 A CA -0.620 51.514 52.037 0.161 0.000 0.693 331 A CB 1.588 20.745 19.000 0.262 0.000 1.272 331 A HN -0.024 nan 8.150 nan 0.000 0.402 332 T N -0.837 113.865 114.554 0.248 0.000 2.863 332 T HA 0.739 5.089 4.350 -0.000 0.000 0.285 332 T C -0.509 174.380 174.700 0.315 0.000 1.009 332 T CA -0.538 61.755 62.100 0.321 0.000 0.989 332 T CB 1.535 70.622 68.868 0.365 0.000 1.004 332 T HN 0.523 nan 8.240 nan 0.000 0.455 333 T N 2.784 117.549 114.554 0.351 0.000 2.912 333 T HA 0.445 4.795 4.350 -0.000 0.000 0.326 333 T C -0.198 174.683 174.700 0.301 0.000 1.080 333 T CA -0.550 61.729 62.100 0.298 0.000 1.000 333 T CB 0.652 69.712 68.868 0.320 0.000 1.008 333 T HN 0.638 nan 8.240 nan 0.000 0.473 334 V N 5.595 125.644 119.914 0.225 0.000 2.385 334 V HA 0.353 4.473 4.120 -0.000 0.000 0.269 334 V C 0.219 176.393 176.094 0.132 0.000 1.043 334 V CA -0.684 61.729 62.300 0.189 0.000 0.906 334 V CB 0.609 32.482 31.823 0.083 0.000 0.995 334 V HN 0.737 nan 8.190 nan 0.000 0.467 335 L N 4.065 125.371 121.223 0.139 0.000 2.334 335 L HA 0.560 4.900 4.340 -0.000 0.000 0.277 335 L C 0.415 177.312 176.870 0.045 0.000 1.075 335 L CA 0.105 54.999 54.840 0.089 0.000 0.804 335 L CB 1.708 43.830 42.059 0.105 0.000 1.174 335 L HN 0.654 nan 8.230 nan 0.000 0.438 336 S N 1.834 117.540 115.700 0.010 0.000 2.482 336 S HA 0.329 4.799 4.470 -0.000 0.000 0.303 336 S C 0.728 175.308 174.600 -0.033 0.000 1.091 336 S CA -0.737 57.455 58.200 -0.013 0.000 1.057 336 S CB 1.768 64.954 63.200 -0.023 0.000 1.031 336 S HN 0.725 nan 8.310 nan 0.000 0.485 337 R N 3.325 123.808 120.500 -0.028 0.000 2.081 337 R HA -0.047 4.293 4.340 -0.000 0.000 0.235 337 R C 2.103 178.377 176.300 -0.043 0.000 1.131 337 R CA 1.805 57.889 56.100 -0.028 0.000 0.960 337 R CB -0.702 29.587 30.300 -0.019 0.000 0.856 337 R HN 0.776 nan 8.270 nan 0.000 0.436 338 A N 0.871 123.666 122.820 -0.042 0.000 1.972 338 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 338 A C 2.101 179.645 177.584 -0.065 0.000 1.169 338 A CA 1.256 53.265 52.037 -0.046 0.000 0.635 338 A CB -0.420 18.556 19.000 -0.041 0.000 0.810 338 A HN 0.370 nan 8.150 nan 0.000 0.446 339 I N -0.581 119.942 120.570 -0.078 0.000 2.286 339 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 339 I C 2.982 178.978 176.117 -0.202 0.000 1.104 339 I CA 0.894 62.130 61.300 -0.106 0.000 1.397 339 I CB -0.423 37.527 38.000 -0.084 0.000 1.072 339 I HN 0.355 nan 8.210 nan 0.000 0.417 340 A N 0.803 123.471 122.820 -0.254 0.000 1.883 340 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 340 A C 2.188 179.608 177.584 -0.273 0.000 1.186 340 A CA 1.796 53.550 52.037 -0.472 0.000 0.624 340 A CB -0.672 18.175 19.000 -0.255 0.000 0.822 340 A HN 0.438 nan 8.150 nan 0.000 0.444 341 E N -0.142 119.990 120.200 -0.114 0.000 2.118 341 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 341 E C 1.601 178.173 176.600 -0.048 0.000 0.992 341 E CA 1.169 57.543 56.400 -0.044 0.000 0.804 341 E CB -0.369 29.317 29.700 -0.024 0.000 0.741 341 E HN 0.655 nan 8.360 nan 0.000 0.458 342 L N -0.243 120.937 121.223 -0.072 0.000 2.633 342 L HA -0.007 4.333 4.340 -0.000 0.000 0.235 342 L C 1.583 178.415 176.870 -0.063 0.000 1.163 342 L CA 0.571 55.375 54.840 -0.059 0.000 0.859 342 L CB -0.409 41.620 42.059 -0.050 0.000 0.973 342 L HN 0.342 nan 8.230 nan 0.000 0.451 343 G N -0.237 108.526 108.800 -0.061 0.000 2.176 343 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.253 343 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.253 343 G C 0.336 175.301 174.900 0.109 0.000 0.979 343 G CA -0.357 44.776 45.100 0.055 0.000 0.641 343 G HN 0.173 nan 8.290 nan 0.000 0.530 344 I N 0.830 121.357 120.570 -0.072 0.000 2.416 344 I HA 0.491 4.661 4.170 -0.000 0.000 0.288 344 I C -0.043 175.889 176.117 -0.308 0.000 1.051 344 I CA -0.237 61.056 61.300 -0.010 0.000 1.375 344 I CB 0.185 38.182 38.000 -0.004 0.000 1.407 344 I HN 0.070 nan 8.210 nan 0.000 0.516 345 Y N 6.626 126.919 120.300 -0.011 0.000 2.470 345 Y HA 0.383 4.933 4.550 0.000 0.000 0.341 345 Y C -2.203 173.517 175.900 -0.299 0.000 1.021 345 Y CA -2.310 55.707 58.100 -0.138 0.000 1.025 345 Y CB 2.263 40.628 38.460 -0.157 0.000 1.266 345 Y HN 0.409 nan 8.280 nan 0.000 0.448 346 P HA 0.141 nan 4.420 nan 0.000 0.271 346 P C -0.409 176.896 177.300 0.008 0.000 1.218 346 P CA -0.208 62.886 63.100 -0.011 0.000 0.780 346 P CB 1.109 32.830 31.700 0.035 0.000 0.901 347 A N 3.273 126.102 122.820 0.015 0.000 2.916 347 A HA 0.227 4.547 4.320 -0.000 0.000 0.254 347 A C 0.511 178.090 177.584 -0.009 0.000 1.544 347 A CA -0.319 51.662 52.037 -0.094 0.000 1.224 347 A CB -1.258 17.645 19.000 -0.163 0.000 1.012 347 A HN 0.368 nan 8.150 nan 0.000 0.636 348 V N 0.866 120.793 119.914 0.023 0.000 2.637 348 V HA 0.054 4.174 4.120 -0.000 0.000 0.296 348 V C 0.401 176.507 176.094 0.021 0.000 1.046 348 V CA -0.483 61.845 62.300 0.046 0.000 1.066 348 V CB 1.067 32.926 31.823 0.061 0.000 0.968 348 V HN 0.565 nan 8.190 nan 0.000 0.483 349 D N 7.151 127.567 120.400 0.027 0.000 2.365 349 D HA 0.214 4.854 4.640 -0.000 0.000 0.237 349 D C -1.260 175.044 176.300 0.007 0.000 1.190 349 D CA -2.116 51.890 54.000 0.009 0.000 0.867 349 D CB 1.832 42.634 40.800 0.004 0.000 1.050 349 D HN 0.278 nan 8.370 nan 0.000 0.491 350 P HA -0.063 nan 4.420 nan 0.000 0.226 350 P C 1.164 178.449 177.300 -0.024 0.000 1.153 350 P CA 0.549 63.638 63.100 -0.018 0.000 0.777 350 P CB 0.507 32.194 31.700 -0.021 0.000 0.794 351 L N -1.173 120.037 121.223 -0.021 0.000 2.728 351 L HA 0.237 4.576 4.340 -0.000 0.000 0.238 351 L C 1.155 178.002 176.870 -0.038 0.000 1.143 351 L CA 0.419 55.241 54.840 -0.031 0.000 0.937 351 L CB 0.009 42.049 42.059 -0.030 0.000 1.225 351 L HN -0.116 nan 8.230 nan 0.000 0.507 352 D N -1.453 118.931 120.400 -0.028 0.000 2.490 352 D HA 0.059 4.699 4.640 -0.000 0.000 0.246 352 D C 0.193 176.490 176.300 -0.005 0.000 1.196 352 D CA 0.225 54.201 54.000 -0.040 0.000 0.812 352 D CB 0.838 41.608 40.800 -0.049 0.000 1.191 352 D HN -0.143 nan 8.370 nan 0.000 0.531 353 S N 0.590 116.305 115.700 0.026 0.000 2.430 353 S HA 0.536 5.006 4.470 -0.000 0.000 0.289 353 S C 0.199 174.835 174.600 0.059 0.000 1.143 353 S CA -0.490 57.755 58.200 0.074 0.000 1.067 353 S CB 1.257 64.509 63.200 0.086 0.000 0.964 353 S HN 0.294 nan 8.310 nan 0.000 0.485 354 T N -0.280 114.324 114.554 0.083 0.000 2.927 354 T HA 0.829 5.179 4.350 -0.000 0.000 0.286 354 T C -0.374 174.387 174.700 0.102 0.000 1.040 354 T CA -0.973 61.166 62.100 0.066 0.000 1.010 354 T CB 1.799 70.692 68.868 0.042 0.000 1.177 354 T HN 0.421 nan 8.240 nan 0.000 0.546 355 S N -1.375 114.373 115.700 0.081 0.000 2.562 355 S HA 0.339 4.809 4.470 -0.000 0.000 0.274 355 S C 0.445 175.084 174.600 0.066 0.000 1.160 355 S CA -0.840 57.415 58.200 0.092 0.000 0.933 355 S CB 1.441 64.701 63.200 0.100 0.000 1.100 355 S HN 0.759 nan 8.310 nan 0.000 0.468 356 R N 2.686 123.223 120.500 0.062 0.000 2.237 356 R HA 0.056 4.396 4.340 -0.000 0.000 0.219 356 R C 1.325 177.645 176.300 0.034 0.000 1.080 356 R CA 0.961 57.087 56.100 0.043 0.000 0.995 356 R CB -0.191 30.131 30.300 0.036 0.000 0.875 356 R HN 0.592 nan 8.270 nan 0.000 0.462 357 I N 0.380 120.972 120.570 0.037 0.000 2.928 357 I HA -0.080 4.090 4.170 -0.000 0.000 0.266 357 I C 1.113 177.230 176.117 0.000 0.000 1.234 357 I CA 0.483 61.793 61.300 0.017 0.000 1.483 357 I CB -0.521 37.497 38.000 0.030 0.000 1.097 357 I HN 0.153 nan 8.210 nan 0.000 0.455 358 M N 2.140 121.755 119.600 0.026 0.000 3.596 358 M HA 0.109 4.589 4.480 -0.000 0.000 0.212 358 M C -0.500 175.901 176.300 0.167 0.000 1.519 358 M CA 0.076 55.411 55.300 0.058 0.000 1.670 358 M CB -1.177 31.457 32.600 0.057 0.000 1.113 358 M HN -0.029 nan 8.290 nan 0.000 0.565 359 D N 2.859 123.296 120.400 0.061 0.000 2.896 359 D HA 0.393 5.033 4.640 -0.000 0.000 0.241 359 D C -2.325 173.871 176.300 -0.174 0.000 1.188 359 D CA -1.608 52.342 54.000 -0.084 0.000 0.879 359 D CB 2.533 43.292 40.800 -0.068 0.000 1.553 359 D HN 0.131 nan 8.370 nan 0.000 0.515 360 P HA -0.095 nan 4.420 nan 0.000 0.221 360 P C 0.368 177.581 177.300 -0.146 0.000 1.145 360 P CA 1.002 63.917 63.100 -0.309 0.000 0.795 360 P CB 0.362 31.775 31.700 -0.480 0.000 0.775 361 N N -1.113 117.506 118.700 -0.137 0.000 2.422 361 N HA 0.111 4.851 4.740 -0.000 0.000 0.181 361 N C 1.694 177.174 175.510 -0.051 0.000 1.080 361 N CA 0.199 53.202 53.050 -0.079 0.000 0.893 361 N CB -0.020 38.422 38.487 -0.075 0.000 0.973 361 N HN 0.195 nan 8.380 nan 0.000 0.456 362 I N -0.663 119.874 120.570 -0.055 0.000 3.132 362 I HA -0.028 4.142 4.170 -0.000 0.000 0.255 362 I C 1.750 177.850 176.117 -0.028 0.000 1.118 362 I CA 0.328 61.608 61.300 -0.034 0.000 1.463 362 I CB 0.105 38.086 38.000 -0.032 0.000 1.356 362 I HN -0.012 nan 8.210 nan 0.000 0.463 363 V N -0.785 119.093 119.914 -0.060 0.000 3.649 363 V HA 0.519 4.639 4.120 -0.000 0.000 0.275 363 V C 0.830 176.941 176.094 0.027 0.000 1.281 363 V CA 0.226 62.480 62.300 -0.078 0.000 1.143 363 V CB -1.108 30.465 31.823 -0.417 0.000 0.892 363 V HN 0.522 nan 8.190 nan 0.000 0.441 364 G N 0.929 109.741 108.800 0.020 0.000 2.712 364 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 364 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 364 G C 0.502 175.459 174.900 0.095 0.000 1.321 364 G CA 0.385 45.517 45.100 0.053 0.000 0.813 364 G HN 1.409 nan 8.290 nan 0.000 0.599 365 S N -0.465 115.282 115.700 0.079 0.000 2.356 365 S HA -0.137 4.333 4.470 -0.000 0.000 0.223 365 S C 1.856 176.556 174.600 0.166 0.000 1.032 365 S CA 2.007 60.276 58.200 0.114 0.000 1.005 365 S CB -0.295 62.944 63.200 0.066 0.000 0.867 365 S HN 0.989 nan 8.310 nan 0.000 0.449 366 E N 0.827 121.111 120.200 0.140 0.000 2.058 366 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 366 E C 2.120 178.831 176.600 0.186 0.000 0.997 366 E CA 1.426 57.909 56.400 0.137 0.000 0.801 366 E CB -0.401 29.363 29.700 0.106 0.000 0.746 366 E HN 0.885 nan 8.360 nan 0.000 0.450 367 H N -1.455 117.669 119.070 0.090 0.000 2.293 367 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 367 H C 2.185 177.563 175.328 0.084 0.000 1.082 367 H CA 1.646 57.740 56.048 0.077 0.000 1.308 367 H CB -0.165 29.641 29.762 0.073 0.000 1.375 367 H HN 0.254 nan 8.280 nan 0.000 0.495 368 Y N 1.731 122.113 120.300 0.136 0.000 2.128 368 Y HA -0.271 4.279 4.550 -0.000 0.000 0.284 368 Y C 2.098 178.035 175.900 0.061 0.000 1.154 368 Y CA 2.031 60.154 58.100 0.038 0.000 1.149 368 Y CB -0.353 38.099 38.460 -0.013 0.000 0.976 368 Y HN 0.344 nan 8.280 nan 0.000 0.505 369 D N -0.472 120.041 120.400 0.188 0.000 2.104 369 D HA -0.189 4.451 4.640 -0.000 0.000 0.194 369 D C 2.380 178.683 176.300 0.005 0.000 0.994 369 D CA 1.884 55.931 54.000 0.078 0.000 0.830 369 D CB -0.529 40.346 40.800 0.125 0.000 0.959 369 D HN 0.337 nan 8.370 nan 0.000 0.452 370 V N 1.552 121.495 119.914 0.049 0.000 2.358 370 V HA -0.207 3.913 4.120 -0.000 0.000 0.246 370 V C 2.582 178.659 176.094 -0.028 0.000 1.047 370 V CA 1.633 63.955 62.300 0.037 0.000 1.035 370 V CB -0.851 31.018 31.823 0.077 0.000 0.658 370 V HN 0.168 nan 8.190 nan 0.000 0.452 371 A N 0.157 122.946 122.820 -0.052 0.000 1.908 371 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 371 A C 2.319 179.797 177.584 -0.176 0.000 1.181 371 A CA 1.648 53.612 52.037 -0.122 0.000 0.627 371 A CB -0.439 18.512 19.000 -0.081 0.000 0.818 371 A HN 0.403 nan 8.150 nan 0.000 0.445 372 R N -0.538 119.811 120.500 -0.252 0.000 2.115 372 R HA -0.052 4.288 4.340 -0.000 0.000 0.230 372 R C 2.275 178.507 176.300 -0.113 0.000 1.111 372 R CA 1.143 57.100 56.100 -0.238 0.000 0.976 372 R CB -1.506 28.587 30.300 -0.346 0.000 0.870 372 R HN 0.537 nan 8.270 nan 0.000 0.445 373 G N 0.205 108.962 108.800 -0.072 0.000 2.394 373 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.215 373 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.215 373 G C 1.555 176.448 174.900 -0.011 0.000 1.165 373 G CA 0.513 45.600 45.100 -0.022 0.000 0.784 373 G HN 0.131 nan 8.290 nan 0.000 0.535 374 V N 0.895 120.797 119.914 -0.020 0.000 2.287 374 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 374 V C 2.929 179.010 176.094 -0.021 0.000 1.053 374 V CA 2.336 64.630 62.300 -0.009 0.000 1.027 374 V CB -0.645 31.121 31.823 -0.095 0.000 0.646 374 V HN 0.451 nan 8.190 nan 0.000 0.447 375 Q N -0.448 119.321 119.800 -0.053 0.000 2.167 375 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 375 Q C 2.355 178.344 176.000 -0.019 0.000 0.970 375 Q CA 1.284 57.062 55.803 -0.042 0.000 0.855 375 Q CB -0.211 28.486 28.738 -0.069 0.000 0.911 375 Q HN 0.581 nan 8.270 nan 0.000 0.438 376 K N 1.216 121.604 120.400 -0.021 0.000 2.057 376 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 376 K C 1.947 178.556 176.600 0.016 0.000 1.050 376 K CA 0.928 57.212 56.287 -0.006 0.000 0.935 376 K CB -0.064 32.431 32.500 -0.008 0.000 0.715 376 K HN 0.190 nan 8.250 nan 0.000 0.439 377 I N 1.042 121.624 120.570 0.020 0.000 2.546 377 I HA -0.198 3.972 4.170 -0.000 0.000 0.255 377 I C 1.704 177.867 176.117 0.077 0.000 1.163 377 I CA 0.599 61.921 61.300 0.036 0.000 1.457 377 I CB 0.197 38.207 38.000 0.017 0.000 1.092 377 I HN 0.197 nan 8.210 nan 0.000 0.434 378 L N -0.095 121.172 121.223 0.073 0.000 2.109 378 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 378 L C 2.497 179.430 176.870 0.106 0.000 1.086 378 L CA 0.890 55.804 54.840 0.124 0.000 0.760 378 L CB -0.588 41.521 42.059 0.084 0.000 0.910 378 L HN 0.276 nan 8.230 nan 0.000 0.437 379 Q N 0.439 120.269 119.800 0.050 0.000 2.079 379 Q HA -0.196 4.144 4.340 -0.000 0.000 0.200 379 Q C 1.726 177.746 176.000 0.034 0.000 0.974 379 Q CA 1.653 57.469 55.803 0.021 0.000 0.840 379 Q CB 0.009 28.748 28.738 0.002 0.000 0.898 379 Q HN 0.330 nan 8.270 nan 0.000 0.430 380 D N -0.877 119.556 120.400 0.056 0.000 2.144 380 D HA -0.168 4.472 4.640 -0.000 0.000 0.199 380 D C 1.513 177.882 176.300 0.115 0.000 0.984 380 D CA 1.031 55.069 54.000 0.063 0.000 0.834 380 D CB -0.365 40.467 40.800 0.054 0.000 0.955 380 D HN 0.341 nan 8.370 nan 0.000 0.465 381 Y N 1.884 122.178 120.300 -0.011 0.000 2.181 381 Y HA -0.150 4.400 4.550 -0.000 0.000 0.288 381 Y C 2.148 178.041 175.900 -0.012 0.000 1.146 381 Y CA 1.407 59.501 58.100 -0.010 0.000 1.164 381 Y CB -0.326 38.128 38.460 -0.010 0.000 0.982 381 Y HN -0.180 nan 8.280 nan 0.000 0.515 382 K N -0.374 119.960 120.400 -0.111 0.000 2.152 382 K HA -0.162 4.158 4.320 -0.000 0.000 0.206 382 K C 2.199 178.713 176.600 -0.143 0.000 1.048 382 K CA 1.645 57.803 56.287 -0.214 0.000 0.933 382 K CB -0.170 32.263 32.500 -0.111 0.000 0.721 382 K HN 0.294 nan 8.250 nan 0.000 0.447 383 S N 0.738 116.400 115.700 -0.064 0.000 2.368 383 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 383 S C 1.644 176.220 174.600 -0.041 0.000 1.029 383 S CA 0.964 59.139 58.200 -0.041 0.000 0.988 383 S CB -0.102 63.091 63.200 -0.012 0.000 0.838 383 S HN 0.262 nan 8.310 nan 0.000 0.462 384 L N 1.493 122.703 121.223 -0.021 0.000 2.465 384 L HA -0.033 4.307 4.340 -0.000 0.000 0.224 384 L C 2.507 179.351 176.870 -0.042 0.000 1.145 384 L CA 0.507 55.347 54.840 0.001 0.000 0.834 384 L CB -0.520 41.586 42.059 0.077 0.000 0.944 384 L HN 0.336 nan 8.230 nan 0.000 0.451 385 Q N 0.065 119.783 119.800 -0.136 0.000 2.096 385 Q HA -0.300 4.040 4.340 -0.000 0.000 0.208 385 Q C 1.833 177.781 176.000 -0.087 0.000 0.993 385 Q CA 2.074 57.774 55.803 -0.172 0.000 0.862 385 Q CB -0.196 28.393 28.738 -0.248 0.000 0.915 385 Q HN 0.498 nan 8.270 nan 0.000 0.416 386 D N 0.356 120.715 120.400 -0.068 0.000 2.097 386 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 386 D C 1.910 178.194 176.300 -0.026 0.000 0.989 386 D CA 1.074 55.048 54.000 -0.044 0.000 0.827 386 D CB -0.025 40.752 40.800 -0.037 0.000 0.966 386 D HN 0.242 nan 8.370 nan 0.000 0.456 387 I N 1.218 121.776 120.570 -0.019 0.000 2.163 387 I HA -0.271 3.898 4.170 -0.000 0.000 0.243 387 I C 2.499 178.616 176.117 0.000 0.000 1.085 387 I CA 0.616 61.912 61.300 -0.006 0.000 1.347 387 I CB -0.434 37.567 38.000 0.002 0.000 1.044 387 I HN 0.040 nan 8.210 nan 0.000 0.408 388 I N 1.751 122.324 120.570 0.004 0.000 2.151 388 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 388 I C 3.040 179.159 176.117 0.004 0.000 1.080 388 I CA 1.845 63.154 61.300 0.016 0.000 1.339 388 I CB -1.618 36.402 38.000 0.033 0.000 1.039 388 I HN 0.236 nan 8.210 nan 0.000 0.409 389 A N 1.537 124.350 122.820 -0.011 0.000 1.896 389 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 389 A C 2.258 179.838 177.584 -0.007 0.000 1.206 389 A CA 2.057 54.086 52.037 -0.013 0.000 0.647 389 A CB -0.617 18.369 19.000 -0.023 0.000 0.828 389 A HN 0.332 nan 8.150 nan 0.000 0.455 390 I N -0.819 119.748 120.570 -0.006 0.000 2.260 390 I HA -0.040 4.130 4.170 -0.000 0.000 0.237 390 I C 2.136 178.254 176.117 0.000 0.000 1.075 390 I CA 1.019 62.317 61.300 -0.003 0.000 1.376 390 I CB -1.403 36.594 38.000 -0.004 0.000 1.107 390 I HN 0.244 nan 8.210 nan 0.000 0.420 391 L N 0.502 121.727 121.223 0.002 0.000 2.612 391 L HA 0.261 4.601 4.340 -0.000 0.000 0.230 391 L C 1.149 178.024 176.870 0.008 0.000 1.140 391 L CA 0.125 54.968 54.840 0.005 0.000 0.896 391 L CB -0.989 41.074 42.059 0.005 0.000 1.065 391 L HN 0.465 nan 8.230 nan 0.000 0.447 392 G N 0.460 109.266 108.800 0.010 0.000 2.749 392 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.242 392 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.242 392 G C 0.355 175.267 174.900 0.020 0.000 1.364 392 G CA 0.021 45.130 45.100 0.015 0.000 0.888 392 G HN 0.142 nan 8.290 nan 0.000 0.566 393 M N 0.236 119.851 119.600 0.024 0.000 2.561 393 M HA 0.057 4.537 4.480 -0.000 0.000 0.238 393 M C 1.373 177.684 176.300 0.019 0.000 1.131 393 M CA 0.630 55.947 55.300 0.027 0.000 1.046 393 M CB -0.121 32.498 32.600 0.031 0.000 1.532 393 M HN 0.495 nan 8.290 nan 0.000 0.497 394 D N 0.886 121.295 120.400 0.015 0.000 2.194 394 D HA -0.052 4.588 4.640 -0.000 0.000 0.204 394 D C 0.446 176.752 176.300 0.011 0.000 0.964 394 D CA 1.065 55.072 54.000 0.012 0.000 0.846 394 D CB 0.129 40.935 40.800 0.010 0.000 0.962 394 D HN 0.265 nan 8.370 nan 0.000 0.490 395 E N 0.429 120.635 120.200 0.011 0.000 2.452 395 E HA 0.239 4.589 4.350 -0.000 0.000 0.293 395 E C -0.481 176.126 176.600 0.012 0.000 1.535 395 E CA -0.013 56.393 56.400 0.009 0.000 1.816 395 E CB 0.071 29.775 29.700 0.008 0.000 1.494 395 E HN 0.116 nan 8.360 nan 0.000 0.464 396 L N 0.744 121.975 121.223 0.013 0.000 2.362 396 L HA 0.383 4.723 4.340 -0.000 0.000 0.271 396 L C 0.154 177.032 176.870 0.013 0.000 1.002 396 L CA -0.958 53.892 54.840 0.016 0.000 0.818 396 L CB 1.988 44.061 42.059 0.022 0.000 1.298 396 L HN 0.206 nan 8.230 nan 0.000 0.420 397 S N 1.326 117.033 115.700 0.013 0.000 2.563 397 S HA -0.069 4.401 4.470 -0.000 0.000 0.284 397 S C 0.949 175.554 174.600 0.009 0.000 1.331 397 S CA -0.004 58.202 58.200 0.010 0.000 1.047 397 S CB 1.161 64.367 63.200 0.010 0.000 0.859 397 S HN 0.734 nan 8.310 nan 0.000 0.514 398 E N 1.916 122.120 120.200 0.006 0.000 2.153 398 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 398 E C 1.848 178.450 176.600 0.003 0.000 0.988 398 E CA 1.993 58.396 56.400 0.004 0.000 0.811 398 E CB -0.273 29.430 29.700 0.004 0.000 0.746 398 E HN 0.879 nan 8.360 nan 0.000 0.466 399 E N -0.095 120.107 120.200 0.004 0.000 2.031 399 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 399 E C 1.260 177.862 176.600 0.004 0.000 0.994 399 E CA 1.536 57.938 56.400 0.003 0.000 0.800 399 E CB -0.109 29.594 29.700 0.004 0.000 0.752 399 E HN 0.250 nan 8.360 nan 0.000 0.447 400 D N 0.412 120.818 120.400 0.010 0.000 2.178 400 D HA -0.117 4.523 4.640 -0.000 0.000 0.201 400 D C 1.809 178.116 176.300 0.011 0.000 0.980 400 D CA 0.881 54.892 54.000 0.017 0.000 0.842 400 D CB -0.072 40.745 40.800 0.028 0.000 0.948 400 D HN 0.167 nan 8.370 nan 0.000 0.472 401 K N 0.082 120.485 120.400 0.006 0.000 2.103 401 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 401 K C 1.984 178.568 176.600 -0.026 0.000 1.048 401 K CA 0.534 56.819 56.287 -0.004 0.000 0.930 401 K CB -0.154 32.346 32.500 -0.001 0.000 0.716 401 K HN 0.051 nan 8.250 nan 0.000 0.444 402 L N 1.094 122.303 121.223 -0.022 0.000 2.093 402 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 402 L C 2.233 179.070 176.870 -0.055 0.000 1.085 402 L CA 1.995 56.815 54.840 -0.034 0.000 0.755 402 L CB -0.795 41.252 42.059 -0.020 0.000 0.904 402 L HN 0.315 nan 8.230 nan 0.000 0.435 403 T N -4.208 110.320 114.554 -0.044 0.000 2.737 403 T HA -0.133 4.217 4.350 -0.000 0.000 0.265 403 T C 1.897 176.514 174.700 -0.140 0.000 1.038 403 T CA 1.357 63.424 62.100 -0.055 0.000 1.144 403 T CB -1.158 67.706 68.868 -0.007 0.000 0.866 403 T HN 0.122 nan 8.240 nan 0.000 0.434 404 V N 1.840 121.670 119.914 -0.140 0.000 2.252 404 V HA -0.218 3.902 4.120 -0.000 0.000 0.249 404 V C 3.113 178.983 176.094 -0.373 0.000 1.056 404 V CA 2.288 64.394 62.300 -0.323 0.000 1.022 404 V CB -1.148 30.615 31.823 -0.099 0.000 0.641 404 V HN 0.527 nan 8.190 nan 0.000 0.445 405 S N -0.988 114.593 115.700 -0.197 0.000 2.370 405 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 405 S C 2.107 176.586 174.600 -0.202 0.000 1.033 405 S CA 1.670 59.770 58.200 -0.167 0.000 1.011 405 S CB -0.272 62.874 63.200 -0.090 0.000 0.852 405 S HN 0.524 nan 8.310 nan 0.000 0.457 406 R N 0.929 121.318 120.500 -0.184 0.000 2.062 406 R HA 0.019 4.359 4.340 -0.000 0.000 0.231 406 R C 2.668 178.843 176.300 -0.209 0.000 1.136 406 R CA 1.175 57.165 56.100 -0.183 0.000 0.948 406 R CB -0.656 29.574 30.300 -0.118 0.000 0.845 406 R HN 0.388 nan 8.270 nan 0.000 0.430 407 A N 1.644 124.323 122.820 -0.236 0.000 1.903 407 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 407 A C 2.145 179.575 177.584 -0.257 0.000 1.191 407 A CA 1.805 53.693 52.037 -0.247 0.000 0.638 407 A CB -0.530 18.204 19.000 -0.444 0.000 0.823 407 A HN 0.273 nan 8.150 nan 0.000 0.451 408 R N -0.559 119.716 120.500 -0.375 0.000 2.115 408 R HA -0.054 4.286 4.340 -0.000 0.000 0.230 408 R C 2.138 178.354 176.300 -0.138 0.000 1.111 408 R CA 1.428 57.397 56.100 -0.218 0.000 0.976 408 R CB -0.172 30.004 30.300 -0.206 0.000 0.870 408 R HN 0.559 nan 8.270 nan 0.000 0.445 409 K N 0.276 120.529 120.400 -0.244 0.000 2.116 409 K HA -0.032 4.288 4.320 -0.000 0.000 0.203 409 K C 2.005 178.412 176.600 -0.321 0.000 1.052 409 K CA 0.966 56.986 56.287 -0.445 0.000 0.952 409 K CB -0.006 31.993 32.500 -0.834 0.000 0.729 409 K HN 0.131 nan 8.250 nan 0.000 0.446 410 I N 1.610 122.091 120.570 -0.148 0.000 2.252 410 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 410 I C 2.850 179.101 176.117 0.223 0.000 1.102 410 I CA 1.190 62.561 61.300 0.119 0.000 1.385 410 I CB -0.115 37.992 38.000 0.178 0.000 1.064 410 I HN 0.243 nan 8.210 nan 0.000 0.414 411 Q N 0.904 120.773 119.800 0.114 0.000 2.135 411 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 411 Q C 2.249 178.344 176.000 0.157 0.000 0.981 411 Q CA 1.728 57.609 55.803 0.130 0.000 0.856 411 Q CB 0.072 28.876 28.738 0.110 0.000 0.902 411 Q HN 0.405 nan 8.270 nan 0.000 0.425 412 R N -0.992 119.605 120.500 0.163 0.000 2.127 412 R HA -0.022 4.318 4.340 -0.000 0.000 0.217 412 R C 1.835 178.313 176.300 0.298 0.000 1.074 412 R CA 0.809 57.062 56.100 0.254 0.000 0.991 412 R CB -0.123 30.348 30.300 0.284 0.000 0.895 412 R HN 0.216 nan 8.270 nan 0.000 0.450 413 F N 0.939 120.941 119.950 0.087 0.000 2.604 413 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 413 F C 1.293 177.199 175.800 0.178 0.000 1.131 413 F CA 0.788 58.812 58.000 0.040 0.000 1.457 413 F CB 0.098 38.963 39.000 -0.224 0.000 1.095 413 F HN -0.081 nan 8.300 nan 0.000 0.574 414 L N -0.365 120.990 121.223 0.219 0.000 2.395 414 L HA -0.030 4.310 4.340 -0.000 0.000 0.218 414 L C 1.444 178.323 176.870 0.016 0.000 1.130 414 L CA 0.404 55.335 54.840 0.152 0.000 0.826 414 L CB -0.748 41.391 42.059 0.133 0.000 0.941 414 L HN 0.124 nan 8.230 nan 0.000 0.451 415 S N -0.515 115.194 115.700 0.015 0.000 2.603 415 S HA 0.375 4.845 4.470 -0.000 0.000 0.268 415 S C -0.372 174.142 174.600 -0.145 0.000 1.317 415 S CA -0.533 57.634 58.200 -0.054 0.000 1.012 415 S CB 1.949 65.139 63.200 -0.016 0.000 0.926 415 S HN 0.257 nan 8.310 nan 0.000 0.539 416 Q N 0.577 120.259 119.800 -0.197 0.000 2.353 416 Q HA 0.447 4.787 4.340 -0.000 0.000 0.275 416 Q C -3.101 172.763 176.000 -0.227 0.000 1.029 416 Q CA -2.195 53.508 55.803 -0.166 0.000 0.848 416 Q CB 2.456 31.187 28.738 -0.011 0.000 1.390 416 Q HN 0.520 nan 8.270 nan 0.000 0.401 417 P HA 0.241 nan 4.420 nan 0.000 0.287 417 P C -1.142 176.285 177.300 0.212 0.000 1.294 417 P CA -0.075 63.011 63.100 -0.023 0.000 0.776 417 P CB 0.216 31.910 31.700 -0.012 0.000 0.889 418 F N 1.690 121.660 119.950 0.034 0.000 2.397 418 F HA 0.301 4.828 4.527 -0.000 0.000 0.331 418 F C 2.127 177.954 175.800 0.045 0.000 1.090 418 F CA -1.182 56.842 58.000 0.039 0.000 1.065 418 F CB 0.942 39.970 39.000 0.046 0.000 1.184 418 F HN 0.393 nan 8.300 nan 0.000 0.499 419 Q N 1.515 121.439 119.800 0.206 0.000 1.948 419 Q HA -0.132 4.208 4.340 -0.000 0.000 0.205 419 Q C 1.567 177.643 176.000 0.128 0.000 0.992 419 Q CA 2.604 58.475 55.803 0.114 0.000 0.849 419 Q CB -0.388 28.380 28.738 0.050 0.000 0.918 419 Q HN 0.493 nan 8.270 nan 0.000 0.421 420 V N 0.889 120.878 119.914 0.126 0.000 2.613 420 V HA -0.309 3.811 4.120 -0.000 0.000 0.259 420 V C 1.939 178.161 176.094 0.214 0.000 1.099 420 V CA 1.870 64.254 62.300 0.139 0.000 1.115 420 V CB -0.974 30.925 31.823 0.126 0.000 0.686 420 V HN 0.572 nan 8.190 nan 0.000 0.481 421 A N -1.547 121.425 122.820 0.254 0.000 2.390 421 A HA 0.160 4.480 4.320 -0.000 0.000 0.232 421 A C 1.844 179.565 177.584 0.229 0.000 1.233 421 A CA 0.106 52.333 52.037 0.318 0.000 0.907 421 A CB -0.168 18.955 19.000 0.205 0.000 0.967 421 A HN 0.515 nan 8.150 nan 0.000 0.512 422 E N -0.109 120.166 120.200 0.124 0.000 2.147 422 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 422 E C 1.683 178.252 176.600 -0.052 0.000 1.005 422 E CA 1.625 58.054 56.400 0.049 0.000 0.810 422 E CB -0.180 29.538 29.700 0.029 0.000 0.736 422 E HN 0.450 nan 8.360 nan 0.000 0.460 423 V N 0.243 120.047 119.914 -0.184 0.000 2.427 423 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 423 V C 1.737 177.552 176.094 -0.465 0.000 1.051 423 V CA 1.630 63.685 62.300 -0.408 0.000 1.048 423 V CB -0.456 30.980 31.823 -0.646 0.000 0.666 423 V HN 0.216 nan 8.190 nan 0.000 0.456 424 F N 0.811 120.743 119.950 -0.030 0.000 2.416 424 F HA -0.036 4.491 4.527 -0.000 0.000 0.296 424 F C 2.613 178.398 175.800 -0.024 0.000 1.099 424 F CA 1.268 59.242 58.000 -0.043 0.000 1.427 424 F CB -1.123 37.820 39.000 -0.095 0.000 1.079 424 F HN 0.246 nan 8.300 nan 0.000 0.536 425 T N -3.312 111.329 114.554 0.144 0.000 3.035 425 T HA 0.296 4.646 4.350 -0.000 0.000 0.259 425 T C 1.892 176.606 174.700 0.023 0.000 1.078 425 T CA 0.630 62.831 62.100 0.167 0.000 1.132 425 T CB -0.346 68.652 68.868 0.217 0.000 0.900 425 T HN 0.433 nan 8.240 nan 0.000 0.480 426 G N 1.210 109.961 108.800 -0.082 0.000 2.160 426 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.251 426 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.251 426 G C -0.196 174.467 174.900 -0.395 0.000 1.008 426 G CA 0.371 45.330 45.100 -0.234 0.000 0.724 426 G HN 0.854 nan 8.290 nan 0.000 0.514 427 H N -1.968 117.103 119.070 0.002 0.000 2.851 427 H HA 0.593 5.149 4.556 -0.000 0.000 0.372 427 H C -0.009 175.323 175.328 0.006 0.000 1.158 427 H CA -1.076 54.971 56.048 -0.002 0.000 1.159 427 H CB 1.641 31.393 29.762 -0.018 0.000 1.757 427 H HN 0.219 nan 8.280 nan 0.000 0.546 428 L N 1.875 123.179 121.223 0.135 0.000 2.490 428 L HA 0.243 4.583 4.340 -0.000 0.000 0.274 428 L C 0.871 177.797 176.870 0.093 0.000 1.201 428 L CA 0.451 55.341 54.840 0.085 0.000 0.869 428 L CB 0.281 42.376 42.059 0.061 0.000 1.123 428 L HN 0.865 nan 8.230 nan 0.000 0.484 429 G N 4.318 113.171 108.800 0.089 0.000 2.432 429 G HA2 0.249 4.209 3.960 -0.000 0.000 0.239 429 G HA3 0.249 4.209 3.960 -0.000 0.000 0.239 429 G C -0.540 174.410 174.900 0.083 0.000 1.291 429 G CA -0.502 44.663 45.100 0.109 0.000 0.863 429 G HN 0.534 nan 8.290 nan 0.000 0.560 430 K N 0.784 121.244 120.400 0.100 0.000 2.375 430 K HA 0.477 4.797 4.320 -0.000 0.000 0.249 430 K C -1.413 175.231 176.600 0.072 0.000 0.942 430 K CA -1.045 55.282 56.287 0.067 0.000 0.806 430 K CB 2.666 35.192 32.500 0.043 0.000 1.227 430 K HN 0.295 nan 8.250 nan 0.000 0.430 431 L N 2.407 123.655 121.223 0.041 0.000 2.377 431 L HA 0.331 4.671 4.340 -0.000 0.000 0.270 431 L C -1.369 175.515 176.870 0.025 0.000 0.991 431 L CA -0.696 54.160 54.840 0.025 0.000 0.851 431 L CB 1.623 43.688 42.059 0.011 0.000 1.218 431 L HN 0.294 nan 8.230 nan 0.000 0.420 432 V N 6.939 126.867 119.914 0.024 0.000 2.394 432 V HA 0.505 4.625 4.120 -0.000 0.000 0.282 432 V C -2.024 174.083 176.094 0.022 0.000 1.031 432 V CA -1.617 60.698 62.300 0.025 0.000 0.881 432 V CB 1.371 33.205 31.823 0.018 0.000 0.982 432 V HN 0.647 nan 8.190 nan 0.000 0.451 433 P HA 0.109 nan 4.420 nan 0.000 0.271 433 P C 0.728 178.042 177.300 0.022 0.000 1.216 433 P CA -0.370 62.745 63.100 0.025 0.000 0.776 433 P CB 0.779 32.497 31.700 0.030 0.000 0.881 434 L N 4.932 126.162 121.223 0.011 0.000 2.021 434 L HA -0.268 4.072 4.340 -0.000 0.000 0.215 434 L C 2.192 179.053 176.870 -0.016 0.000 1.074 434 L CA 2.183 57.012 54.840 -0.017 0.000 0.760 434 L CB -1.142 40.913 42.059 -0.006 0.000 0.889 434 L HN 0.426 nan 8.230 nan 0.000 0.433 435 K N -1.555 118.853 120.400 0.014 0.000 2.063 435 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 435 K C 1.701 178.331 176.600 0.050 0.000 1.048 435 K CA 1.670 57.974 56.287 0.027 0.000 0.928 435 K CB -0.615 31.906 32.500 0.036 0.000 0.713 435 K HN 0.347 nan 8.250 nan 0.000 0.442 436 E N 0.849 121.085 120.200 0.061 0.000 2.152 436 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 436 E C 2.098 178.785 176.600 0.146 0.000 0.983 436 E CA 1.418 57.874 56.400 0.094 0.000 0.818 436 E CB -0.383 29.367 29.700 0.084 0.000 0.758 436 E HN 0.451 nan 8.360 nan 0.000 0.467 437 T N 2.333 116.961 114.554 0.123 0.000 2.708 437 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 437 T C 2.006 176.889 174.700 0.306 0.000 1.037 437 T CA 0.820 63.045 62.100 0.208 0.000 1.146 437 T CB -0.078 68.843 68.868 0.088 0.000 0.865 437 T HN 0.052 nan 8.240 nan 0.000 0.435 438 I N 1.663 122.304 120.570 0.118 0.000 2.127 438 I HA -0.185 3.985 4.170 -0.000 0.000 0.241 438 I C 2.480 178.710 176.117 0.188 0.000 1.075 438 I CA 1.605 62.967 61.300 0.104 0.000 1.334 438 I CB -1.146 36.852 38.000 -0.004 0.000 1.040 438 I HN 0.298 nan 8.210 nan 0.000 0.405 439 K N 1.064 121.554 120.400 0.150 0.000 2.032 439 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 439 K C 2.212 178.909 176.600 0.161 0.000 1.048 439 K CA 1.878 58.246 56.287 0.135 0.000 0.927 439 K CB -0.491 32.072 32.500 0.106 0.000 0.712 439 K HN 0.351 nan 8.250 nan 0.000 0.441 440 G N 0.501 109.422 108.800 0.202 0.000 2.491 440 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 440 G C 1.279 176.177 174.900 -0.003 0.000 1.180 440 G CA 1.064 46.225 45.100 0.102 0.000 0.774 440 G HN 0.315 nan 8.290 nan 0.000 0.562 441 F N 0.999 121.107 119.950 0.264 0.000 2.234 441 F HA 0.009 4.536 4.527 -0.000 0.000 0.299 441 F C 3.073 178.924 175.800 0.086 0.000 1.087 441 F CA 1.375 59.479 58.000 0.172 0.000 1.340 441 F CB -0.299 38.786 39.000 0.142 0.000 1.031 441 F HN 0.172 nan 8.300 nan 0.000 0.500 442 Q N 0.191 120.128 119.800 0.228 0.000 2.002 442 Q HA -0.284 4.056 4.340 -0.000 0.000 0.204 442 Q C 2.209 178.252 176.000 0.072 0.000 0.988 442 Q CA 2.015 57.895 55.803 0.129 0.000 0.843 442 Q CB -0.505 28.292 28.738 0.098 0.000 0.908 442 Q HN 0.506 nan 8.270 nan 0.000 0.420 443 Q N 0.205 120.041 119.800 0.060 0.000 2.135 443 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 443 Q C 2.079 178.059 176.000 -0.034 0.000 0.981 443 Q CA 1.294 57.089 55.803 -0.013 0.000 0.856 443 Q CB -0.195 28.566 28.738 0.038 0.000 0.902 443 Q HN 0.443 nan 8.270 nan 0.000 0.425 444 I N 0.239 120.830 120.570 0.035 0.000 2.353 444 I HA -0.253 3.917 4.170 -0.000 0.000 0.248 444 I C 2.122 178.222 176.117 -0.029 0.000 1.119 444 I CA 0.836 62.129 61.300 -0.011 0.000 1.417 444 I CB -0.205 37.703 38.000 -0.153 0.000 1.078 444 I HN 0.189 nan 8.210 nan 0.000 0.421 445 L N 0.730 121.964 121.223 0.019 0.000 2.042 445 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 445 L C 2.580 179.446 176.870 -0.007 0.000 1.076 445 L CA 1.361 56.213 54.840 0.019 0.000 0.749 445 L CB -0.571 41.520 42.059 0.054 0.000 0.893 445 L HN 0.258 nan 8.230 nan 0.000 0.432 446 A N -0.562 122.247 122.820 -0.018 0.000 2.239 446 A HA 0.183 4.503 4.320 -0.000 0.000 0.209 446 A C 1.727 179.279 177.584 -0.054 0.000 1.171 446 A CA 0.804 52.821 52.037 -0.034 0.000 0.768 446 A CB -0.662 18.314 19.000 -0.041 0.000 0.790 446 A HN 0.582 nan 8.150 nan 0.000 0.478 447 G N -0.597 108.167 108.800 -0.060 0.000 2.148 447 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.254 447 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.254 447 G C 0.551 175.399 174.900 -0.086 0.000 0.981 447 G CA 0.665 45.733 45.100 -0.054 0.000 0.670 447 G HN 0.633 nan 8.290 nan 0.000 0.528 448 E N -1.156 118.922 120.200 -0.202 0.000 2.204 448 E HA -0.082 4.268 4.350 -0.000 0.000 0.195 448 E C 0.874 177.216 176.600 -0.429 0.000 0.990 448 E CA 1.157 57.334 56.400 -0.372 0.000 0.821 448 E CB -0.075 29.246 29.700 -0.632 0.000 0.750 448 E HN 0.762 nan 8.360 nan 0.000 0.477 449 Y N -0.027 120.269 120.300 -0.005 0.000 2.720 449 Y HA 0.146 4.696 4.550 -0.000 0.000 0.268 449 Y C 0.487 176.296 175.900 -0.151 0.000 1.142 449 Y CA -0.591 57.422 58.100 -0.146 0.000 1.193 449 Y CB 0.351 38.824 38.460 0.021 0.000 1.176 449 Y HN -0.117 nan 8.280 nan 0.000 0.542 450 D N -0.248 120.191 120.400 0.064 0.000 2.403 450 D HA -0.148 4.492 4.640 -0.000 0.000 0.227 450 D C 1.797 178.157 176.300 0.100 0.000 0.995 450 D CA 1.170 55.206 54.000 0.060 0.000 0.928 450 D CB -0.126 40.707 40.800 0.055 0.000 0.887 450 D HN 0.623 nan 8.370 nan 0.000 0.529 451 H N -1.332 117.797 119.070 0.098 0.000 2.654 451 H HA 0.174 4.730 4.556 -0.000 0.000 0.264 451 H C 0.814 176.198 175.328 0.094 0.000 0.954 451 H CA -0.225 55.868 56.048 0.076 0.000 1.199 451 H CB 0.044 29.837 29.762 0.052 0.000 1.446 451 H HN 0.043 nan 8.280 nan 0.000 0.516 452 L N 3.515 124.592 121.223 -0.243 0.000 2.417 452 L HA 0.265 4.605 4.340 -0.000 0.000 0.268 452 L C -2.121 174.786 176.870 0.063 0.000 1.158 452 L CA -2.014 52.765 54.840 -0.102 0.000 0.819 452 L CB 0.483 42.400 42.059 -0.236 0.000 1.112 452 L HN 0.013 nan 8.230 nan 0.000 0.458 453 P HA 0.116 nan 4.420 nan 0.000 0.276 453 P C 0.108 177.497 177.300 0.149 0.000 1.243 453 P CA -0.284 62.855 63.100 0.066 0.000 0.768 453 P CB 0.843 32.556 31.700 0.023 0.000 0.856 454 E N 2.338 122.647 120.200 0.182 0.000 2.132 454 E HA -0.335 4.015 4.350 -0.000 0.000 0.218 454 E C 1.900 178.672 176.600 0.287 0.000 1.058 454 E CA 1.816 58.367 56.400 0.253 0.000 0.882 454 E CB -0.355 29.400 29.700 0.091 0.000 0.774 454 E HN 0.591 nan 8.360 nan 0.000 0.467 455 Q N 0.197 120.077 119.800 0.133 0.000 2.344 455 Q HA -0.232 4.108 4.340 -0.000 0.000 0.212 455 Q C 2.062 178.118 176.000 0.094 0.000 0.991 455 Q CA 1.706 57.574 55.803 0.107 0.000 0.897 455 Q CB -0.534 28.234 28.738 0.050 0.000 0.915 455 Q HN 0.353 nan 8.270 nan 0.000 0.438 456 A N 0.163 122.960 122.820 -0.038 0.000 2.119 456 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 456 A C 1.416 178.809 177.584 -0.318 0.000 1.153 456 A CA 0.478 52.364 52.037 -0.252 0.000 0.692 456 A CB -0.491 18.198 19.000 -0.518 0.000 0.799 456 A HN 0.309 nan 8.150 nan 0.000 0.458 457 F N -2.395 117.545 119.950 -0.017 0.000 2.776 457 F HA 0.189 4.716 4.527 -0.000 0.000 0.300 457 F C 0.748 176.635 175.800 0.145 0.000 1.116 457 F CA -0.297 57.713 58.000 0.016 0.000 1.375 457 F CB -0.209 38.773 39.000 -0.029 0.000 1.109 457 F HN 0.294 nan 8.300 nan 0.000 0.585 458 Y N 1.359 121.742 120.300 0.139 0.000 2.359 458 Y HA 0.282 4.832 4.550 -0.000 0.000 0.330 458 Y C 0.756 176.639 175.900 -0.028 0.000 1.143 458 Y CA -1.516 56.628 58.100 0.073 0.000 1.318 458 Y CB 0.329 38.824 38.460 0.059 0.000 1.234 458 Y HN 0.039 nan 8.280 nan 0.000 0.522 459 M N 5.896 125.041 119.600 -0.759 0.000 2.303 459 M HA -0.168 4.312 4.480 -0.000 0.000 0.189 459 M C -1.114 174.919 176.300 -0.445 0.000 0.688 459 M CA 1.099 55.943 55.300 -0.760 0.000 0.479 459 M CB -2.540 29.348 32.600 -1.187 0.000 1.094 459 M HN 0.495 nan 8.290 nan 0.000 0.907 460 V N -3.083 116.707 119.914 -0.206 0.000 3.164 460 V HA 1.093 5.213 4.120 -0.000 0.000 0.313 460 V C 0.692 176.760 176.094 -0.044 0.000 1.188 460 V CA -0.065 62.177 62.300 -0.097 0.000 1.058 460 V CB 1.619 33.435 31.823 -0.012 0.000 1.110 460 V HN 0.400 nan 8.190 nan 0.000 0.453 461 G N -0.048 108.755 108.800 0.004 0.000 3.226 461 G HA2 0.472 4.432 3.960 -0.000 0.000 0.190 461 G HA3 0.472 4.432 3.960 -0.000 0.000 0.190 461 G C -2.280 172.670 174.900 0.084 0.000 1.988 461 G CA -0.320 44.790 45.100 0.017 0.000 0.859 461 G HN 0.790 nan 8.290 nan 0.000 0.631 462 P HA 0.123 nan 4.420 nan 0.000 0.272 462 P C 0.749 178.173 177.300 0.205 0.000 1.223 462 P CA -0.436 62.765 63.100 0.168 0.000 0.784 462 P CB 1.556 33.310 31.700 0.090 0.000 0.923 463 I N 1.708 122.405 120.570 0.212 0.000 2.315 463 I HA -0.306 3.864 4.170 -0.000 0.000 0.251 463 I C 1.885 177.879 176.117 -0.204 0.000 1.125 463 I CA 1.859 63.060 61.300 -0.164 0.000 1.392 463 I CB -0.499 37.341 38.000 -0.268 0.000 1.065 463 I HN 0.313 nan 8.210 nan 0.000 0.424 464 E N 0.615 120.772 120.200 -0.072 0.000 2.097 464 E HA -0.269 4.081 4.350 -0.000 0.000 0.196 464 E C 2.074 178.608 176.600 -0.110 0.000 1.000 464 E CA 1.895 58.249 56.400 -0.077 0.000 0.804 464 E CB -0.311 29.378 29.700 -0.019 0.000 0.740 464 E HN 0.611 nan 8.360 nan 0.000 0.454 465 E N 0.230 120.384 120.200 -0.077 0.000 2.204 465 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 465 E C 2.031 178.527 176.600 -0.174 0.000 0.990 465 E CA 0.763 57.111 56.400 -0.087 0.000 0.821 465 E CB -0.163 29.513 29.700 -0.041 0.000 0.750 465 E HN 0.301 nan 8.360 nan 0.000 0.477 466 A N 1.144 123.801 122.820 -0.271 0.000 1.877 466 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 466 A C 2.544 179.799 177.584 -0.549 0.000 1.186 466 A CA 1.327 53.057 52.037 -0.512 0.000 0.620 466 A CB -0.744 17.766 19.000 -0.817 0.000 0.822 466 A HN 0.120 nan 8.150 nan 0.000 0.443 467 V N -0.024 119.604 119.914 -0.476 0.000 2.287 467 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 467 V C 3.048 179.021 176.094 -0.202 0.000 1.053 467 V CA 2.041 64.141 62.300 -0.333 0.000 1.027 467 V CB -1.406 30.293 31.823 -0.207 0.000 0.646 467 V HN 0.614 nan 8.190 nan 0.000 0.447 468 A N -0.715 122.011 122.820 -0.155 0.000 1.978 468 A HA -0.253 4.067 4.320 -0.000 0.000 0.220 468 A C 2.354 179.877 177.584 -0.101 0.000 1.170 468 A CA 2.067 54.045 52.037 -0.098 0.000 0.636 468 A CB -0.465 18.493 19.000 -0.070 0.000 0.810 468 A HN 0.506 nan 8.150 nan 0.000 0.448 469 K N -0.633 119.680 120.400 -0.144 0.000 2.296 469 K HA 0.107 4.427 4.320 -0.000 0.000 0.200 469 K C 2.049 178.570 176.600 -0.132 0.000 1.048 469 K CA 0.768 56.982 56.287 -0.122 0.000 0.966 469 K CB -0.172 32.247 32.500 -0.134 0.000 0.754 469 K HN 0.408 nan 8.250 nan 0.000 0.466 470 A N 1.529 124.236 122.820 -0.188 0.000 1.897 470 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 470 A C 1.470 179.006 177.584 -0.080 0.000 1.181 470 A CA 1.616 53.556 52.037 -0.162 0.000 0.620 470 A CB -0.274 18.591 19.000 -0.224 0.000 0.821 470 A HN 0.271 nan 8.150 nan 0.000 0.443 471 D N -0.192 120.168 120.400 -0.067 0.000 2.117 471 D HA -0.121 4.519 4.640 -0.000 0.000 0.198 471 D C 1.822 178.106 176.300 -0.027 0.000 0.982 471 D CA 1.285 55.265 54.000 -0.033 0.000 0.828 471 D CB -0.310 40.474 40.800 -0.027 0.000 0.967 471 D HN 0.463 nan 8.370 nan 0.000 0.464 472 K N 0.343 120.722 120.400 -0.034 0.000 2.063 472 K HA -0.070 4.250 4.320 -0.000 0.000 0.208 472 K C 2.104 178.695 176.600 -0.016 0.000 1.048 472 K CA 0.675 56.949 56.287 -0.022 0.000 0.928 472 K CB -0.117 32.370 32.500 -0.022 0.000 0.713 472 K HN 0.124 nan 8.250 nan 0.000 0.442 473 L N 0.412 121.621 121.223 -0.024 0.000 2.376 473 L HA -0.019 4.321 4.340 -0.000 0.000 0.219 473 L C 0.843 177.708 176.870 -0.008 0.000 1.133 473 L CA 0.270 55.102 54.840 -0.014 0.000 0.816 473 L CB -0.629 41.416 42.059 -0.023 0.000 0.933 473 L HN 0.305 nan 8.230 nan 0.000 0.449 474 A N 0.000 122.815 122.820 -0.009 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 474 A CB 0.000 19.000 19.000 0.001 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486