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 1cow_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 0.000 174.892 174.700 0.320 0.000 1.109 9 T CA 0.000 62.229 62.100 0.215 0.000 1.349 9 T CB 0.000 69.006 68.868 0.230 0.000 0.612 10 T N 0.286 114.953 114.554 0.189 0.000 2.791 10 T HA 0.785 5.135 4.350 -0.000 0.000 0.288 10 T C 0.631 175.020 174.700 -0.518 0.000 0.999 10 T CA -0.401 61.657 62.100 -0.070 0.000 0.952 10 T CB 1.319 70.143 68.868 -0.073 0.000 0.938 10 T HN 1.190 nan 8.240 nan 0.000 0.444 11 G N 1.971 110.044 108.800 -1.212 0.000 2.601 11 G HA2 0.728 4.688 3.960 -0.000 0.000 0.317 11 G HA3 0.728 4.688 3.960 -0.000 0.000 0.317 11 G C -0.917 173.601 174.900 -0.635 0.000 1.246 11 G CA -1.250 42.904 45.100 -1.578 0.000 1.012 11 G HN 0.731 nan 8.290 nan 0.000 0.494 12 R N -0.820 119.425 120.500 -0.425 0.000 2.561 12 R HA 0.361 4.701 4.340 -0.000 0.000 0.297 12 R C -0.243 175.967 176.300 -0.150 0.000 0.969 12 R CA -0.716 55.250 56.100 -0.223 0.000 0.879 12 R CB 2.165 32.370 30.300 -0.159 0.000 1.178 12 R HN 0.398 nan 8.270 nan 0.000 0.445 13 I N 3.641 124.150 120.570 -0.101 0.000 2.664 13 I HA -0.142 4.028 4.170 -0.000 0.000 0.284 13 I C 1.076 177.166 176.117 -0.046 0.000 1.154 13 I CA 0.276 61.541 61.300 -0.059 0.000 1.402 13 I CB 0.709 38.685 38.000 -0.040 0.000 1.395 13 I HN 0.538 nan 8.210 nan 0.000 0.545 14 V N 6.748 126.643 119.914 -0.033 0.000 2.492 14 V HA 0.181 4.301 4.120 -0.000 0.000 0.241 14 V C 0.801 176.888 176.094 -0.013 0.000 1.041 14 V CA 1.306 63.593 62.300 -0.022 0.000 1.057 14 V CB 0.356 32.171 31.823 -0.014 0.000 0.711 14 V HN 0.859 nan 8.190 nan 0.000 0.468 15 A N -0.961 121.856 122.820 -0.006 0.000 2.539 15 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 15 A C -1.615 175.968 177.584 -0.001 0.000 1.073 15 A CA -0.367 51.668 52.037 -0.003 0.000 0.700 15 A CB 2.242 21.242 19.000 0.001 0.000 1.296 15 A HN -0.005 nan 8.150 nan 0.000 0.405 16 V N 1.410 121.322 119.914 -0.002 0.000 2.668 16 V HA 0.573 4.693 4.120 -0.000 0.000 0.304 16 V C -1.488 174.605 176.094 -0.001 0.000 1.071 16 V CA -0.137 62.162 62.300 -0.001 0.000 0.894 16 V CB 1.523 33.344 31.823 -0.003 0.000 1.008 16 V HN 0.697 nan 8.190 nan 0.000 0.425 17 I N 4.164 124.735 120.570 0.000 0.000 2.563 17 I HA 0.704 4.874 4.170 -0.000 0.000 0.285 17 I C 0.747 176.863 176.117 -0.001 0.000 1.123 17 I CA 0.683 61.982 61.300 -0.001 0.000 1.059 17 I CB 1.595 39.595 38.000 -0.001 0.000 1.229 17 I HN 0.841 nan 8.210 nan 0.000 0.442 18 G N 4.641 113.439 108.800 -0.002 0.000 2.651 18 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.315 18 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.315 18 G C 0.859 175.758 174.900 -0.002 0.000 1.258 18 G CA 0.742 45.840 45.100 -0.003 0.000 1.002 18 G HN 1.136 nan 8.290 nan 0.000 0.551 19 A N -0.828 121.990 122.820 -0.003 0.000 2.307 19 A HA 0.608 4.928 4.320 -0.000 0.000 0.218 19 A C 0.654 178.240 177.584 0.004 0.000 1.228 19 A CA 1.194 53.231 52.037 0.000 0.000 0.857 19 A CB 0.177 19.175 19.000 -0.003 0.000 0.897 19 A HN 1.307 nan 8.150 nan 0.000 0.495 20 V N 1.403 121.319 119.914 0.003 0.000 2.311 20 V HA 0.276 4.396 4.120 -0.000 0.000 0.275 20 V C -0.560 175.540 176.094 0.010 0.000 1.022 20 V CA -0.381 61.924 62.300 0.008 0.000 0.830 20 V CB 1.212 33.038 31.823 0.005 0.000 1.012 20 V HN 0.105 nan 8.190 nan 0.000 0.452 21 V N 4.156 124.080 119.914 0.016 0.000 2.370 21 V HA 0.444 4.564 4.120 -0.000 0.000 0.283 21 V C -0.451 175.659 176.094 0.027 0.000 1.023 21 V CA -0.629 61.681 62.300 0.017 0.000 0.857 21 V CB 1.879 33.712 31.823 0.017 0.000 0.985 21 V HN 0.744 nan 8.190 nan 0.000 0.443 22 D N 3.608 124.021 120.400 0.022 0.000 2.280 22 D HA 0.522 5.162 4.640 -0.000 0.000 0.236 22 D C -0.508 175.808 176.300 0.027 0.000 1.082 22 D CA 0.056 54.074 54.000 0.031 0.000 0.834 22 D CB 1.982 42.796 40.800 0.023 0.000 1.100 22 D HN 0.273 nan 8.370 nan 0.000 0.486 23 V N 2.751 122.698 119.914 0.055 0.000 2.495 23 V HA 0.362 4.482 4.120 -0.000 0.000 0.298 23 V C 0.029 176.173 176.094 0.084 0.000 1.031 23 V CA -0.926 61.398 62.300 0.039 0.000 0.871 23 V CB 1.781 33.649 31.823 0.075 0.000 0.988 23 V HN 0.407 nan 8.190 nan 0.000 0.432 24 Q N 2.860 122.648 119.800 -0.020 0.000 2.245 24 Q HA 0.680 5.020 4.340 -0.000 0.000 0.256 24 Q C -1.917 174.048 176.000 -0.059 0.000 0.942 24 Q CA -0.387 55.430 55.803 0.024 0.000 0.896 24 Q CB 1.613 30.338 28.738 -0.021 0.000 1.272 24 Q HN 0.595 nan 8.270 nan 0.000 0.442 25 F N 0.958 120.879 119.950 -0.049 0.000 2.593 25 F HA 0.340 4.867 4.527 -0.000 0.000 0.320 25 F C 0.388 176.162 175.800 -0.043 0.000 1.060 25 F CA -0.566 57.407 58.000 -0.046 0.000 0.940 25 F CB 2.170 41.136 39.000 -0.058 0.000 1.268 25 F HN 0.648 nan 8.300 nan 0.000 0.475 26 D N -0.252 120.243 120.400 0.157 0.000 2.525 26 D HA 0.003 4.643 4.640 -0.000 0.000 0.248 26 D C 1.261 177.607 176.300 0.076 0.000 1.000 26 D CA 0.718 54.765 54.000 0.078 0.000 0.923 26 D CB 0.459 41.276 40.800 0.029 0.000 1.101 26 D HN 0.504 nan 8.370 nan 0.000 0.493 27 E N 0.776 121.038 120.200 0.102 0.000 2.152 27 E HA 0.160 4.510 4.350 -0.000 0.000 0.195 27 E C 1.207 177.831 176.600 0.040 0.000 0.934 27 E CA 0.318 56.755 56.400 0.061 0.000 0.869 27 E CB 0.286 30.014 29.700 0.047 0.000 0.842 27 E HN 0.017 nan 8.360 nan 0.000 0.472 28 G N 2.292 111.127 108.800 0.057 0.000 2.468 28 G HA2 0.451 4.411 3.960 -0.000 0.000 0.315 28 G HA3 0.451 4.411 3.960 -0.000 0.000 0.315 28 G C -1.003 173.745 174.900 -0.254 0.000 1.203 28 G CA -0.474 44.590 45.100 -0.061 0.000 0.962 28 G HN -0.077 nan 8.290 nan 0.000 0.476 29 L N 5.422 126.488 121.223 -0.262 0.000 2.281 29 L HA 0.435 4.774 4.340 -0.000 0.000 0.285 29 L C -1.707 174.912 176.870 -0.418 0.000 1.074 29 L CA -2.446 52.132 54.840 -0.437 0.000 0.817 29 L CB 0.934 42.771 42.059 -0.370 0.000 1.168 29 L HN 0.306 nan 8.230 nan 0.000 0.434 30 P HA 0.306 nan 4.420 nan 0.000 0.275 30 P C -2.748 174.542 177.300 -0.018 0.000 1.227 30 P CA -1.516 61.404 63.100 -0.299 0.000 0.781 30 P CB 0.135 31.617 31.700 -0.364 0.000 0.906 31 P HA 0.155 nan 4.420 nan 0.000 0.270 31 P C 0.378 177.692 177.300 0.024 0.000 1.223 31 P CA -0.054 63.088 63.100 0.071 0.000 0.785 31 P CB 0.404 32.097 31.700 -0.012 0.000 0.923 32 I N 2.276 122.797 120.570 -0.083 0.000 2.752 32 I HA -0.074 4.096 4.170 -0.000 0.000 0.287 32 I C 1.495 177.543 176.117 -0.116 0.000 1.188 32 I CA 0.523 61.755 61.300 -0.113 0.000 1.427 32 I CB -0.286 37.595 38.000 -0.199 0.000 1.365 32 I HN 0.449 nan 8.210 nan 0.000 0.585 33 L N 2.379 123.527 121.223 -0.125 0.000 3.558 33 L HA -0.231 4.109 4.340 -0.000 0.000 0.422 33 L C 0.589 177.408 176.870 -0.085 0.000 0.740 33 L CA 0.353 55.078 54.840 -0.193 0.000 2.578 33 L CB -1.490 40.373 42.059 -0.327 0.000 1.116 33 L HN 0.732 nan 8.230 nan 0.000 0.626 34 N N 0.856 119.528 118.700 -0.046 0.000 2.513 34 N HA 0.416 5.156 4.740 -0.000 0.000 0.268 34 N C 0.368 175.883 175.510 0.008 0.000 1.180 34 N CA 0.572 53.612 53.050 -0.017 0.000 0.948 34 N CB 0.929 39.397 38.487 -0.032 0.000 1.083 34 N HN 0.287 nan 8.380 nan 0.000 0.455 35 A N 4.166 127.000 122.820 0.023 0.000 2.309 35 A HA 0.387 4.707 4.320 -0.000 0.000 0.290 35 A C -0.073 177.534 177.584 0.038 0.000 1.206 35 A CA -0.487 51.572 52.037 0.036 0.000 0.850 35 A CB 0.192 19.215 19.000 0.038 0.000 1.118 35 A HN 0.582 nan 8.150 nan 0.000 0.523 36 L N 2.212 123.469 121.223 0.056 0.000 2.334 36 L HA 0.506 4.846 4.340 -0.000 0.000 0.275 36 L C -0.050 176.856 176.870 0.060 0.000 1.036 36 L CA -0.689 54.200 54.840 0.081 0.000 0.807 36 L CB 1.377 43.517 42.059 0.133 0.000 1.231 36 L HN 0.621 nan 8.230 nan 0.000 0.438 37 E N 2.197 122.430 120.200 0.054 0.000 2.145 37 E HA 0.306 4.656 4.350 -0.000 0.000 0.270 37 E C -0.789 175.826 176.600 0.026 0.000 0.906 37 E CA -0.653 55.765 56.400 0.031 0.000 0.761 37 E CB 2.775 32.486 29.700 0.018 0.000 1.116 37 E HN 0.219 nan 8.360 nan 0.000 0.408 38 V N 3.808 123.733 119.914 0.017 0.000 2.637 38 V HA -0.031 4.089 4.120 -0.000 0.000 0.296 38 V C 0.511 176.603 176.094 -0.003 0.000 1.046 38 V CA -0.071 62.231 62.300 0.004 0.000 1.066 38 V CB 0.906 32.730 31.823 0.002 0.000 0.968 38 V HN 0.509 nan 8.190 nan 0.000 0.483 39 Q N 2.303 122.095 119.800 -0.013 0.000 2.222 39 Q HA 0.538 4.878 4.340 -0.000 0.000 0.252 39 Q C 0.838 176.828 176.000 -0.016 0.000 0.926 39 Q CA 0.319 56.113 55.803 -0.014 0.000 0.899 39 Q CB 1.550 30.276 28.738 -0.020 0.000 1.250 39 Q HN 1.138 nan 8.270 nan 0.000 0.441 40 G N 1.905 110.697 108.800 -0.013 0.000 2.255 40 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.239 40 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.239 40 G C -0.228 174.666 174.900 -0.010 0.000 1.083 40 G CA -0.240 44.852 45.100 -0.013 0.000 0.826 40 G HN 0.394 nan 8.290 nan 0.000 0.493 41 R N -0.754 119.742 120.500 -0.007 0.000 2.744 41 R HA 0.408 4.748 4.340 -0.000 0.000 0.279 41 R C 1.294 177.592 176.300 -0.004 0.000 0.977 41 R CA -0.405 55.691 56.100 -0.005 0.000 0.906 41 R CB 1.225 31.523 30.300 -0.004 0.000 1.197 41 R HN 0.345 nan 8.270 nan 0.000 0.463 42 E N 0.325 120.523 120.200 -0.003 0.000 2.085 42 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 42 E C 0.663 177.262 176.600 -0.002 0.000 0.994 42 E CA 1.487 57.885 56.400 -0.002 0.000 0.801 42 E CB -0.004 29.695 29.700 -0.002 0.000 0.743 42 E HN 0.635 nan 8.360 nan 0.000 0.453 43 T N -1.715 112.838 114.554 -0.001 0.000 2.916 43 T HA 0.396 4.746 4.350 -0.000 0.000 0.292 43 T C -0.326 174.375 174.700 0.002 0.000 1.064 43 T CA -1.120 60.980 62.100 0.001 0.000 1.011 43 T CB 2.249 71.118 68.868 0.002 0.000 1.152 43 T HN -0.041 nan 8.240 nan 0.000 0.510 44 R N 0.487 120.988 120.500 0.002 0.000 2.502 44 R HA 0.301 4.641 4.340 -0.000 0.000 0.292 44 R C -1.000 175.304 176.300 0.007 0.000 0.998 44 R CA -0.251 55.852 56.100 0.004 0.000 1.056 44 R CB -0.183 30.119 30.300 0.004 0.000 0.939 44 R HN 0.571 nan 8.270 nan 0.000 0.411 45 L N 5.857 127.085 121.223 0.008 0.000 2.401 45 L HA 0.308 4.648 4.340 -0.000 0.000 0.263 45 L C -1.293 175.587 176.870 0.017 0.000 1.004 45 L CA -0.510 54.337 54.840 0.012 0.000 0.881 45 L CB 1.713 43.778 42.059 0.009 0.000 1.219 45 L HN 0.281 nan 8.230 nan 0.000 0.441 46 V N 5.463 125.390 119.914 0.021 0.000 2.509 46 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 46 V C 0.192 176.306 176.094 0.033 0.000 1.047 46 V CA -0.468 61.848 62.300 0.028 0.000 0.952 46 V CB 1.479 33.319 31.823 0.028 0.000 0.988 46 V HN 0.554 nan 8.190 nan 0.000 0.469 47 L N 4.019 125.267 121.223 0.041 0.000 2.333 47 L HA 0.560 4.900 4.340 -0.000 0.000 0.280 47 L C -0.002 176.899 176.870 0.052 0.000 1.004 47 L CA -0.303 54.565 54.840 0.047 0.000 0.820 47 L CB 1.835 43.927 42.059 0.056 0.000 1.247 47 L HN 0.711 nan 8.230 nan 0.000 0.416 48 E N 3.044 123.274 120.200 0.051 0.000 2.134 48 E HA 0.322 4.672 4.350 -0.000 0.000 0.278 48 E C -0.886 175.735 176.600 0.035 0.000 0.959 48 E CA -0.761 55.669 56.400 0.050 0.000 0.783 48 E CB 1.738 31.483 29.700 0.074 0.000 1.095 48 E HN 0.326 nan 8.360 nan 0.000 0.399 49 V N 4.107 124.036 119.914 0.025 0.000 2.617 49 V HA 0.031 4.151 4.120 -0.000 0.000 0.304 49 V C 0.963 177.057 176.094 0.000 0.000 1.040 49 V CA 1.154 63.471 62.300 0.028 0.000 1.149 49 V CB 0.878 32.720 31.823 0.032 0.000 0.914 49 V HN 0.909 nan 8.190 nan 0.000 0.487 50 A N 3.984 126.813 122.820 0.015 0.000 2.127 50 A HA 0.352 4.672 4.320 -0.000 0.000 0.204 50 A C 0.546 178.119 177.584 -0.017 0.000 1.243 50 A CA 0.472 52.504 52.037 -0.009 0.000 0.887 50 A CB 0.357 19.358 19.000 0.002 0.000 0.933 50 A HN 0.929 nan 8.150 nan 0.000 0.479 51 Q N -1.237 118.578 119.800 0.026 0.000 2.721 51 Q HA 0.296 4.636 4.340 -0.000 0.000 0.282 51 Q C -1.835 174.257 176.000 0.153 0.000 0.932 51 Q CA -0.749 55.060 55.803 0.011 0.000 0.816 51 Q CB 0.411 29.149 28.738 0.001 0.000 1.506 51 Q HN 0.499 nan 8.270 nan 0.000 0.399 52 H N 1.391 120.452 119.070 -0.015 0.000 2.641 52 H HA 0.304 4.860 4.556 -0.000 0.000 0.295 52 H C 0.471 175.799 175.328 -0.001 0.000 1.070 52 H CA -0.543 55.500 56.048 -0.009 0.000 1.257 52 H CB 1.109 30.861 29.762 -0.018 0.000 1.393 52 H HN 0.416 nan 8.280 nan 0.000 0.464 53 L N 3.085 124.380 121.223 0.120 0.000 2.622 53 L HA 0.084 4.424 4.340 -0.000 0.000 0.233 53 L C 1.322 178.224 176.870 0.053 0.000 1.156 53 L CA 0.444 55.324 54.840 0.067 0.000 0.866 53 L CB -0.465 41.623 42.059 0.047 0.000 0.980 53 L HN 0.932 nan 8.230 nan 0.000 0.448 54 G N 0.389 109.227 108.800 0.062 0.000 2.828 54 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.463 54 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.463 54 G C 0.158 175.069 174.900 0.019 0.000 1.394 54 G CA -0.179 44.943 45.100 0.037 0.000 0.862 54 G HN 0.396 nan 8.290 nan 0.000 0.540 55 E N -1.354 118.853 120.200 0.012 0.000 2.637 55 E HA -0.186 4.164 4.350 -0.000 0.000 0.265 55 E C 0.930 177.534 176.600 0.006 0.000 1.073 55 E CA 1.282 57.687 56.400 0.008 0.000 0.778 55 E CB -1.452 28.254 29.700 0.010 0.000 1.362 55 E HN 1.994 nan 8.360 nan 0.000 0.413 56 S N -1.399 114.297 115.700 -0.006 0.000 3.521 56 S HA -0.214 4.256 4.470 -0.000 0.000 0.328 56 S C 0.046 174.654 174.600 0.012 0.000 1.165 56 S CA 1.475 59.669 58.200 -0.010 0.000 0.941 56 S CB -0.767 62.441 63.200 0.012 0.000 0.951 56 S HN 0.466 nan 8.310 nan 0.000 0.539 57 T N 0.736 115.293 114.554 0.006 0.000 2.924 57 T HA 0.716 5.066 4.350 -0.000 0.000 0.291 57 T C 0.034 174.750 174.700 0.027 0.000 1.045 57 T CA -0.327 61.797 62.100 0.039 0.000 1.015 57 T CB 2.036 70.926 68.868 0.036 0.000 1.103 57 T HN 0.571 nan 8.240 nan 0.000 0.496 58 V N -0.013 119.946 119.914 0.074 0.000 2.735 58 V HA 0.783 4.903 4.120 -0.000 0.000 0.310 58 V C -0.580 175.572 176.094 0.096 0.000 1.061 58 V CA -1.336 61.020 62.300 0.092 0.000 0.913 58 V CB 1.757 33.632 31.823 0.086 0.000 1.005 58 V HN 0.894 nan 8.190 nan 0.000 0.428 59 R N 2.672 123.225 120.500 0.089 0.000 2.338 59 R HA 0.753 5.093 4.340 -0.000 0.000 0.317 59 R C -0.094 176.240 176.300 0.057 0.000 0.968 59 R CA 0.356 56.493 56.100 0.062 0.000 0.849 59 R CB 1.532 31.859 30.300 0.045 0.000 1.128 59 R HN 1.160 nan 8.270 nan 0.000 0.448 60 T N 1.310 115.895 114.554 0.052 0.000 2.926 60 T HA 0.547 4.897 4.350 -0.000 0.000 0.289 60 T C -0.077 174.642 174.700 0.033 0.000 1.054 60 T CA -0.872 61.255 62.100 0.046 0.000 1.015 60 T CB 1.168 70.073 68.868 0.062 0.000 1.167 60 T HN 0.465 nan 8.240 nan 0.000 0.526 61 I N 1.825 122.413 120.570 0.030 0.000 2.382 61 I HA 0.544 4.714 4.170 -0.000 0.000 0.286 61 I C 0.786 176.918 176.117 0.026 0.000 1.002 61 I CA -1.190 60.123 61.300 0.023 0.000 1.135 61 I CB 1.388 39.400 38.000 0.019 0.000 1.288 61 I HN 0.981 nan 8.210 nan 0.000 0.448 62 A N 7.214 130.046 122.820 0.020 0.000 2.466 62 A HA 0.290 4.610 4.320 -0.000 0.000 0.238 62 A C 0.912 178.508 177.584 0.020 0.000 1.074 62 A CA 0.095 52.144 52.037 0.021 0.000 0.774 62 A CB 0.325 19.334 19.000 0.015 0.000 1.015 62 A HN 0.776 nan 8.150 nan 0.000 0.498 63 M N 0.432 120.046 119.600 0.023 0.000 2.371 63 M HA 0.206 4.686 4.480 -0.000 0.000 0.246 63 M C -0.150 176.161 176.300 0.018 0.000 1.103 63 M CA 0.504 55.818 55.300 0.023 0.000 1.010 63 M CB -0.772 31.845 32.600 0.028 0.000 1.457 63 M HN 0.757 nan 8.290 nan 0.000 0.486 64 D N -0.814 119.594 120.400 0.014 0.000 2.626 64 D HA 0.453 5.093 4.640 -0.000 0.000 0.278 64 D C -0.507 175.798 176.300 0.008 0.000 1.211 64 D CA -0.147 53.860 54.000 0.011 0.000 0.903 64 D CB 1.823 42.630 40.800 0.011 0.000 1.408 64 D HN 0.128 nan 8.370 nan 0.000 0.454 65 G N -0.597 108.206 108.800 0.006 0.000 2.391 65 G HA2 0.237 4.197 3.960 -0.000 0.000 0.234 65 G HA3 0.237 4.197 3.960 -0.000 0.000 0.234 65 G C 0.893 175.795 174.900 0.003 0.000 1.284 65 G CA 0.684 45.787 45.100 0.004 0.000 0.873 65 G HN 0.412 nan 8.290 nan 0.000 0.549 66 T N -1.137 113.419 114.554 0.002 0.000 3.105 66 T HA 0.199 4.549 4.350 -0.000 0.000 0.253 66 T C 0.407 175.106 174.700 -0.001 0.000 1.047 66 T CA -0.179 61.922 62.100 0.001 0.000 0.944 66 T CB -0.007 68.862 68.868 0.002 0.000 1.016 66 T HN 0.566 nan 8.240 nan 0.000 0.544 67 E N 1.375 121.575 120.200 -0.001 0.000 2.413 67 E HA 0.470 4.820 4.350 -0.000 0.000 0.263 67 E C 1.424 178.022 176.600 -0.003 0.000 1.015 67 E CA 0.476 56.875 56.400 -0.002 0.000 0.916 67 E CB -0.269 29.430 29.700 -0.002 0.000 0.947 67 E HN 0.271 nan 8.360 nan 0.000 0.440 68 G N 1.661 110.458 108.800 -0.004 0.000 2.284 68 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.230 68 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.230 68 G C 0.183 175.079 174.900 -0.007 0.000 1.021 68 G CA -0.075 45.022 45.100 -0.005 0.000 0.619 68 G HN 0.415 nan 8.290 nan 0.000 0.510 69 L N 0.997 122.216 121.223 -0.007 0.000 2.499 69 L HA 0.449 4.789 4.340 -0.000 0.000 0.281 69 L C 0.568 177.432 176.870 -0.011 0.000 1.234 69 L CA -0.005 54.829 54.840 -0.010 0.000 0.839 69 L CB 0.814 42.868 42.059 -0.008 0.000 1.104 69 L HN 0.067 nan 8.230 nan 0.000 0.500 70 V N 2.015 121.919 119.914 -0.016 0.000 2.789 70 V HA 0.378 4.498 4.120 -0.000 0.000 0.311 70 V C -0.008 176.073 176.094 -0.022 0.000 1.073 70 V CA -0.966 61.324 62.300 -0.017 0.000 0.921 70 V CB 1.968 33.781 31.823 -0.017 0.000 1.009 70 V HN 0.667 nan 8.190 nan 0.000 0.426 71 R N 1.863 122.351 120.500 -0.020 0.000 2.698 71 R HA 0.412 4.752 4.340 -0.000 0.000 0.266 71 R C 1.381 177.662 176.300 -0.031 0.000 1.026 71 R CA 1.111 57.196 56.100 -0.025 0.000 1.102 71 R CB 0.101 30.389 30.300 -0.020 0.000 0.978 71 R HN 1.253 nan 8.270 nan 0.000 0.436 72 G N 0.922 109.697 108.800 -0.041 0.000 2.199 72 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.254 72 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.254 72 G C 0.215 175.081 174.900 -0.058 0.000 0.982 72 G CA 0.337 45.408 45.100 -0.049 0.000 0.632 72 G HN 0.619 nan 8.290 nan 0.000 0.529 73 Q N 1.023 120.792 119.800 -0.052 0.000 2.395 73 Q HA 0.394 4.734 4.340 -0.000 0.000 0.271 73 Q C 0.211 176.165 176.000 -0.076 0.000 1.026 73 Q CA 0.041 55.812 55.803 -0.053 0.000 0.900 73 Q CB 0.392 29.107 28.738 -0.039 0.000 1.266 73 Q HN 0.239 nan 8.270 nan 0.000 0.430 74 K N 2.403 122.759 120.400 -0.073 0.000 2.276 74 K HA 0.320 4.640 4.320 -0.000 0.000 0.283 74 K C -0.985 175.563 176.600 -0.087 0.000 1.044 74 K CA -0.328 55.901 56.287 -0.097 0.000 0.944 74 K CB 1.336 33.791 32.500 -0.076 0.000 1.012 74 K HN 0.384 nan 8.250 nan 0.000 0.472 75 V N 3.526 123.361 119.914 -0.131 0.000 2.680 75 V HA 0.397 4.517 4.120 -0.000 0.000 0.309 75 V C -0.677 175.396 176.094 -0.035 0.000 1.052 75 V CA -1.104 61.154 62.300 -0.071 0.000 0.908 75 V CB 2.014 33.797 31.823 -0.066 0.000 1.001 75 V HN 0.561 nan 8.190 nan 0.000 0.431 76 L N 2.873 124.133 121.223 0.061 0.000 2.333 76 L HA 0.573 4.912 4.340 -0.000 0.000 0.280 76 L C -0.274 176.700 176.870 0.173 0.000 1.004 76 L CA -0.158 54.752 54.840 0.117 0.000 0.820 76 L CB 1.612 43.704 42.059 0.055 0.000 1.247 76 L HN 0.719 nan 8.230 nan 0.000 0.416 77 D N 1.721 122.259 120.400 0.230 0.000 2.382 77 D HA -0.010 4.630 4.640 -0.000 0.000 0.259 77 D C 1.162 177.491 176.300 0.048 0.000 1.224 77 D CA 0.665 54.730 54.000 0.109 0.000 0.894 77 D CB 1.288 42.091 40.800 0.004 0.000 1.127 77 D HN 0.613 nan 8.370 nan 0.000 0.487 78 S N 2.917 118.635 115.700 0.030 0.000 2.474 78 S HA 0.030 4.500 4.470 -0.000 0.000 0.235 78 S C 1.759 176.356 174.600 -0.006 0.000 0.997 78 S CA 0.811 59.016 58.200 0.009 0.000 0.949 78 S CB -0.247 62.954 63.200 0.002 0.000 0.766 78 S HN 0.921 nan 8.310 nan 0.000 0.517 79 G N 0.381 109.174 108.800 -0.012 0.000 2.225 79 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.254 79 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.254 79 G C 0.217 175.106 174.900 -0.018 0.000 0.988 79 G CA 0.019 45.106 45.100 -0.021 0.000 0.625 79 G HN 1.539 nan 8.290 nan 0.000 0.527 80 A N -0.504 122.310 122.820 -0.011 0.000 2.533 80 A HA 0.984 5.304 4.320 -0.000 0.000 0.293 80 A C -3.058 174.533 177.584 0.012 0.000 1.228 80 A CA -0.648 51.388 52.037 -0.002 0.000 0.689 80 A CB 1.173 20.172 19.000 -0.002 0.000 1.303 80 A HN 0.163 nan 8.150 nan 0.000 0.444 81 P HA 0.480 nan 4.420 nan 0.000 0.281 81 P C -0.538 176.810 177.300 0.081 0.000 1.281 81 P CA -0.583 62.559 63.100 0.070 0.000 0.811 81 P CB 0.301 32.072 31.700 0.119 0.000 1.154 82 I N 0.957 121.593 120.570 0.109 0.000 2.828 82 I HA -0.089 4.081 4.170 -0.000 0.000 0.292 82 I C 1.084 177.240 176.117 0.065 0.000 1.206 82 I CA 0.993 62.336 61.300 0.073 0.000 1.420 82 I CB -0.307 37.733 38.000 0.067 0.000 1.368 82 I HN 0.143 nan 8.210 nan 0.000 0.556 83 R N 7.241 127.775 120.500 0.056 0.000 2.514 83 R HA 0.738 5.078 4.340 -0.000 0.000 0.301 83 R C -0.686 175.710 176.300 0.161 0.000 0.962 83 R CA -0.744 55.411 56.100 0.092 0.000 0.882 83 R CB 2.092 32.436 30.300 0.073 0.000 1.143 83 R HN 0.602 nan 8.270 nan 0.000 0.452 84 I N -1.147 119.540 120.570 0.196 0.000 2.769 84 I HA 0.577 4.747 4.170 -0.000 0.000 0.298 84 I C -2.689 173.476 176.117 0.080 0.000 1.128 84 I CA -3.319 58.099 61.300 0.197 0.000 1.031 84 I CB 2.476 40.504 38.000 0.047 0.000 1.235 84 I HN 0.317 nan 8.210 nan 0.000 0.423 85 P HA 0.096 nan 4.420 nan 0.000 0.262 85 P C -0.611 176.391 177.300 -0.496 0.000 1.199 85 P CA 0.036 62.746 63.100 -0.649 0.000 0.763 85 P CB 0.548 32.015 31.700 -0.388 0.000 0.790 86 V N 1.290 120.814 119.914 -0.649 0.000 2.876 86 V HA 1.030 5.150 4.120 -0.000 0.000 0.312 86 V C -0.012 175.484 176.094 -0.996 0.000 1.085 86 V CA -0.136 61.729 62.300 -0.725 0.000 0.945 86 V CB 1.727 33.162 31.823 -0.648 0.000 1.017 86 V HN 0.878 nan 8.190 nan 0.000 0.428 87 G N 3.613 111.684 108.800 -1.214 0.000 2.357 87 G HA2 0.262 4.222 3.960 -0.000 0.000 0.289 87 G HA3 0.262 4.222 3.960 -0.000 0.000 0.289 87 G C -2.903 171.829 174.900 -0.280 0.000 1.302 87 G CA 0.100 44.646 45.100 -0.923 0.000 0.936 87 G HN 0.622 nan 8.290 nan 0.000 0.513 88 P HA 0.091 nan 4.420 nan 0.000 0.229 88 P C 1.141 178.441 177.300 0.001 0.000 1.160 88 P CA 1.127 64.295 63.100 0.113 0.000 0.777 88 P CB 0.132 31.912 31.700 0.132 0.000 0.814 89 E N 0.092 120.257 120.200 -0.059 0.000 2.516 89 E HA -0.058 4.292 4.350 -0.000 0.000 0.199 89 E C 1.166 177.731 176.600 -0.059 0.000 1.069 89 E CA 1.034 57.399 56.400 -0.060 0.000 0.876 89 E CB -1.412 28.245 29.700 -0.072 0.000 0.843 89 E HN 0.380 nan 8.360 nan 0.000 0.530 90 T N -1.870 112.651 114.554 -0.054 0.000 3.044 90 T HA 0.184 4.534 4.350 -0.000 0.000 0.250 90 T C 1.017 175.729 174.700 0.020 0.000 1.081 90 T CA -0.360 61.721 62.100 -0.031 0.000 1.040 90 T CB -0.140 68.693 68.868 -0.058 0.000 0.962 90 T HN 0.003 nan 8.240 nan 0.000 0.506 91 L N 2.141 123.370 121.223 0.010 0.000 2.462 91 L HA 0.433 4.773 4.340 -0.000 0.000 0.272 91 L C 1.583 178.456 176.870 0.004 0.000 1.166 91 L CA 1.019 55.841 54.840 -0.030 0.000 0.880 91 L CB 0.207 42.177 42.059 -0.148 0.000 1.142 91 L HN 0.587 nan 8.230 nan 0.000 0.473 92 G N 2.752 111.574 108.800 0.035 0.000 2.176 92 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.253 92 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.253 92 G C 0.315 175.277 174.900 0.104 0.000 0.979 92 G CA -0.147 44.993 45.100 0.067 0.000 0.641 92 G HN 0.561 nan 8.290 nan 0.000 0.530 93 R N -0.731 119.816 120.500 0.077 0.000 2.832 93 R HA 0.779 5.119 4.340 -0.000 0.000 0.271 93 R C -0.040 176.288 176.300 0.046 0.000 0.996 93 R CA -0.880 55.256 56.100 0.060 0.000 0.977 93 R CB 1.336 31.654 30.300 0.029 0.000 1.168 93 R HN 0.212 nan 8.270 nan 0.000 0.482 94 I N 3.482 124.044 120.570 -0.013 0.000 2.377 94 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 94 I C 0.096 176.217 176.117 0.007 0.000 0.987 94 I CA -0.527 60.766 61.300 -0.012 0.000 1.185 94 I CB 1.584 39.486 38.000 -0.164 0.000 1.341 94 I HN 0.475 nan 8.210 nan 0.000 0.455 95 M N 4.424 124.053 119.600 0.048 0.000 2.658 95 M HA 0.569 5.049 4.480 -0.000 0.000 0.295 95 M C -1.468 174.864 176.300 0.053 0.000 1.248 95 M CA -0.684 54.637 55.300 0.034 0.000 0.843 95 M CB 2.293 34.904 32.600 0.018 0.000 1.749 95 M HN 0.337 nan 8.290 nan 0.000 0.464 96 N N 0.422 119.146 118.700 0.039 0.000 2.347 96 N HA 0.285 5.025 4.740 -0.000 0.000 0.253 96 N C 1.158 176.686 175.510 0.030 0.000 1.274 96 N CA -0.261 52.813 53.050 0.040 0.000 0.941 96 N CB 1.170 39.675 38.487 0.030 0.000 1.200 96 N HN 0.604 nan 8.380 nan 0.000 0.514 97 V N 0.687 120.617 119.914 0.028 0.000 2.332 97 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 97 V C 1.728 177.831 176.094 0.014 0.000 1.055 97 V CA 1.653 63.962 62.300 0.015 0.000 1.038 97 V CB -0.820 31.014 31.823 0.019 0.000 0.651 97 V HN 0.747 nan 8.190 nan 0.000 0.450 98 I N -0.828 119.756 120.570 0.023 0.000 3.752 98 I HA 0.544 4.714 4.170 -0.000 0.000 0.313 98 I C 1.353 177.494 176.117 0.040 0.000 1.304 98 I CA 0.582 61.899 61.300 0.029 0.000 1.171 98 I CB -0.738 37.278 38.000 0.027 0.000 1.038 98 I HN 0.330 nan 8.210 nan 0.000 0.427 99 G N 1.204 110.026 108.800 0.038 0.000 2.166 99 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 99 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 99 G C -0.107 174.827 174.900 0.057 0.000 0.986 99 G CA 0.386 45.517 45.100 0.051 0.000 0.683 99 G HN 0.723 nan 8.290 nan 0.000 0.527 100 E N 1.365 121.590 120.200 0.042 0.000 2.277 100 E HA 0.431 4.781 4.350 -0.000 0.000 0.274 100 E C -2.327 174.287 176.600 0.024 0.000 1.022 100 E CA -2.108 54.314 56.400 0.037 0.000 0.853 100 E CB 1.386 31.102 29.700 0.026 0.000 1.086 100 E HN 0.205 nan 8.360 nan 0.000 0.397 101 P HA 0.043 nan 4.420 nan 0.000 0.271 101 P C 0.140 177.435 177.300 -0.008 0.000 1.218 101 P CA 0.226 63.329 63.100 0.004 0.000 0.780 101 P CB 0.433 32.136 31.700 0.005 0.000 0.901 102 I N -1.404 119.147 120.570 -0.031 0.000 3.597 102 I HA 0.286 4.456 4.170 -0.000 0.000 0.323 102 I C -0.155 175.902 176.117 -0.101 0.000 1.535 102 I CA -0.347 60.923 61.300 -0.050 0.000 1.028 102 I CB 0.268 38.241 38.000 -0.046 0.000 1.354 102 I HN 0.036 nan 8.210 nan 0.000 0.544 103 D N 0.183 120.528 120.400 -0.091 0.000 2.479 103 D HA 0.061 4.701 4.640 -0.000 0.000 0.218 103 D C 0.379 176.658 176.300 -0.034 0.000 1.177 103 D CA -0.263 53.662 54.000 -0.126 0.000 0.830 103 D CB 0.014 40.719 40.800 -0.158 0.000 1.014 103 D HN 0.441 nan 8.370 nan 0.000 0.503 104 E N 0.134 120.322 120.200 -0.021 0.000 2.403 104 E HA -0.258 4.092 4.350 -0.000 0.000 0.241 104 E C 0.042 176.653 176.600 0.018 0.000 1.201 104 E CA 0.299 56.700 56.400 0.003 0.000 0.721 104 E CB -0.912 28.794 29.700 0.010 0.000 1.245 104 E HN 0.397 nan 8.360 nan 0.000 0.392 105 R N -0.314 120.196 120.500 0.018 0.000 2.629 105 R HA 0.302 4.642 4.340 -0.000 0.000 0.386 105 R C 0.623 176.935 176.300 0.020 0.000 1.071 105 R CA 0.246 56.362 56.100 0.027 0.000 1.104 105 R CB 1.295 31.620 30.300 0.041 0.000 1.370 105 R HN 0.314 nan 8.270 nan 0.000 0.574 106 G N 1.834 110.644 108.800 0.016 0.000 2.685 106 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.387 106 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.387 106 G C -2.838 172.073 174.900 0.018 0.000 1.324 106 G CA -1.247 43.863 45.100 0.016 0.000 0.878 106 G HN 0.023 nan 8.290 nan 0.000 0.527 107 P HA 0.553 nan 4.420 nan 0.000 0.277 107 P C -0.030 177.285 177.300 0.024 0.000 1.240 107 P CA -0.509 62.609 63.100 0.030 0.000 0.798 107 P CB 0.615 32.338 31.700 0.038 0.000 0.979 108 I N 2.234 122.820 120.570 0.026 0.000 2.308 108 I HA 0.155 4.325 4.170 -0.000 0.000 0.293 108 I C 0.793 176.908 176.117 -0.003 0.000 1.078 108 I CA -0.001 61.297 61.300 -0.003 0.000 1.292 108 I CB -0.021 37.965 38.000 -0.024 0.000 1.423 108 I HN 0.054 nan 8.210 nan 0.000 0.493 109 K N 5.923 126.315 120.400 -0.013 0.000 2.257 109 K HA 0.311 4.631 4.320 -0.000 0.000 0.270 109 K C -0.181 176.382 176.600 -0.062 0.000 1.098 109 K CA -0.342 55.941 56.287 -0.006 0.000 0.943 109 K CB 0.761 33.269 32.500 0.012 0.000 1.316 109 K HN 0.625 nan 8.250 nan 0.000 0.447 110 T N -0.996 113.481 114.554 -0.129 0.000 2.932 110 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 110 T C 0.896 175.499 174.700 -0.161 0.000 1.039 110 T CA -1.047 60.911 62.100 -0.236 0.000 1.024 110 T CB 2.037 70.596 68.868 -0.514 0.000 1.090 110 T HN 0.281 nan 8.240 nan 0.000 0.496 111 K N 0.372 120.684 120.400 -0.148 0.000 2.044 111 K HA 0.024 4.344 4.320 -0.000 0.000 0.204 111 K C 0.310 176.880 176.600 -0.049 0.000 1.049 111 K CA 0.954 57.208 56.287 -0.057 0.000 0.945 111 K CB -0.053 32.427 32.500 -0.033 0.000 0.724 111 K HN 0.582 nan 8.250 nan 0.000 0.440 112 Q N -0.313 119.378 119.800 -0.181 0.000 2.248 112 Q HA 0.471 4.811 4.340 -0.000 0.000 0.263 112 Q C -1.028 174.720 176.000 -0.422 0.000 1.007 112 Q CA -0.440 55.275 55.803 -0.146 0.000 0.877 112 Q CB 1.064 29.744 28.738 -0.096 0.000 1.315 112 Q HN -0.041 nan 8.270 nan 0.000 0.454 113 F N 0.119 120.024 119.950 -0.075 0.000 2.540 113 F HA 0.794 5.321 4.527 -0.000 0.000 0.317 113 F C -0.366 175.401 175.800 -0.055 0.000 1.104 113 F CA -0.844 57.111 58.000 -0.074 0.000 0.913 113 F CB 2.050 41.022 39.000 -0.047 0.000 1.170 113 F HN 0.653 nan 8.300 nan 0.000 0.450 114 A N 1.756 124.619 122.820 0.072 0.000 2.356 114 A HA 0.904 5.224 4.320 -0.000 0.000 0.323 114 A C -1.079 176.545 177.584 0.066 0.000 1.119 114 A CA -0.697 51.369 52.037 0.049 0.000 0.790 114 A CB 1.093 20.089 19.000 -0.008 0.000 1.273 114 A HN 0.910 nan 8.150 nan 0.000 0.452 115 A N 1.044 123.898 122.820 0.058 0.000 2.310 115 A HA 0.523 4.843 4.320 -0.000 0.000 0.299 115 A C 1.058 178.658 177.584 0.025 0.000 1.147 115 A CA -0.146 51.926 52.037 0.059 0.000 0.818 115 A CB -0.087 18.959 19.000 0.078 0.000 1.096 115 A HN 1.549 nan 8.150 nan 0.000 0.495 116 I N -0.670 119.891 120.570 -0.014 0.000 2.916 116 I HA -0.035 4.135 4.170 -0.000 0.000 0.267 116 I C -0.086 175.904 176.117 -0.211 0.000 1.263 116 I CA 0.808 62.029 61.300 -0.132 0.000 1.471 116 I CB -0.376 37.506 38.000 -0.197 0.000 1.089 116 I HN 0.479 nan 8.210 nan 0.000 0.468 117 H N 2.428 121.502 119.070 0.007 0.000 2.581 117 H HA 0.750 5.306 4.556 -0.000 0.000 0.308 117 H C -0.352 174.977 175.328 0.002 0.000 1.040 117 H CA -0.218 55.833 56.048 0.005 0.000 1.231 117 H CB 1.438 31.204 29.762 0.008 0.000 1.396 117 H HN 0.399 nan 8.280 nan 0.000 0.467 118 A N 3.398 126.273 122.820 0.091 0.000 2.486 118 A HA 0.491 4.811 4.320 -0.000 0.000 0.289 118 A C -0.261 177.350 177.584 0.046 0.000 1.176 118 A CA -0.861 51.208 52.037 0.053 0.000 0.757 118 A CB 1.929 20.942 19.000 0.021 0.000 1.337 118 A HN 0.646 nan 8.150 nan 0.000 0.423 119 E N 0.012 120.231 120.200 0.031 0.000 2.250 119 E HA 0.542 4.892 4.350 -0.000 0.000 0.269 119 E C -0.087 176.524 176.600 0.019 0.000 1.018 119 E CA -0.640 55.777 56.400 0.027 0.000 0.873 119 E CB 1.749 31.464 29.700 0.025 0.000 1.134 119 E HN 0.778 nan 8.360 nan 0.000 0.403 120 A N 2.494 125.327 122.820 0.020 0.000 2.371 120 A HA 0.355 4.675 4.320 -0.000 0.000 0.257 120 A C -2.159 175.435 177.584 0.017 0.000 1.089 120 A CA -1.248 50.798 52.037 0.014 0.000 0.794 120 A CB -0.396 18.617 19.000 0.020 0.000 1.029 120 A HN 0.310 nan 8.150 nan 0.000 0.488 121 P HA 0.045 nan 4.420 nan 0.000 0.264 121 P C -0.154 177.161 177.300 0.026 0.000 1.179 121 P CA 0.253 63.357 63.100 0.007 0.000 0.763 121 P CB 0.364 32.057 31.700 -0.010 0.000 0.806 122 E N 1.459 121.680 120.200 0.034 0.000 2.371 122 E HA 0.028 4.378 4.350 -0.000 0.000 0.257 122 E C 0.930 177.584 176.600 0.090 0.000 1.134 122 E CA -0.402 56.042 56.400 0.074 0.000 0.919 122 E CB 0.206 29.949 29.700 0.072 0.000 1.025 122 E HN 0.373 nan 8.360 nan 0.000 0.438 123 F N 2.076 122.025 119.950 -0.002 0.000 2.043 123 F HA -0.294 4.233 4.527 -0.000 0.000 0.297 123 F C 2.043 177.841 175.800 -0.003 0.000 1.118 123 F CA 2.386 60.384 58.000 -0.002 0.000 1.202 123 F CB -0.519 38.479 39.000 -0.002 0.000 0.965 123 F HN 0.299 nan 8.300 nan 0.000 0.482 124 V N -1.371 118.596 119.914 0.089 0.000 2.688 124 V HA -0.245 3.875 4.120 -0.000 0.000 0.256 124 V C 1.622 177.671 176.094 -0.075 0.000 1.084 124 V CA 2.115 64.412 62.300 -0.005 0.000 1.103 124 V CB -1.247 30.615 31.823 0.066 0.000 0.688 124 V HN 0.552 nan 8.190 nan 0.000 0.480 125 E N -0.334 119.828 120.200 -0.064 0.000 2.371 125 E HA 0.107 4.457 4.350 -0.000 0.000 0.194 125 E C 0.768 177.307 176.600 -0.102 0.000 1.012 125 E CA -0.109 56.254 56.400 -0.063 0.000 0.860 125 E CB -0.139 29.542 29.700 -0.032 0.000 0.811 125 E HN 0.454 nan 8.360 nan 0.000 0.502 126 M N 1.281 120.778 119.600 -0.172 0.000 2.228 126 M HA 0.044 4.524 4.480 -0.000 0.000 0.303 126 M C 0.501 176.706 176.300 -0.158 0.000 1.099 126 M CA 0.226 55.413 55.300 -0.187 0.000 1.171 126 M CB 0.509 32.929 32.600 -0.301 0.000 1.412 126 M HN -0.099 nan 8.290 nan 0.000 0.447 127 S N 0.324 115.951 115.700 -0.122 0.000 2.568 127 S HA 0.770 5.240 4.470 -0.000 0.000 0.293 127 S C -0.176 174.374 174.600 -0.085 0.000 1.089 127 S CA -0.499 57.646 58.200 -0.092 0.000 0.945 127 S CB 1.457 64.619 63.200 -0.063 0.000 1.077 127 S HN 0.725 nan 8.310 nan 0.000 0.485 128 V N -0.292 119.581 119.914 -0.067 0.000 3.172 128 V HA 0.553 4.673 4.120 -0.000 0.000 0.343 128 V C -0.300 175.774 176.094 -0.033 0.000 1.429 128 V CA -0.499 61.770 62.300 -0.052 0.000 1.149 128 V CB 0.115 31.904 31.823 -0.057 0.000 1.106 128 V HN 0.671 nan 8.190 nan 0.000 0.526 129 E N 2.395 122.577 120.200 -0.030 0.000 2.338 129 E HA 0.427 4.777 4.350 -0.000 0.000 0.272 129 E C -0.451 176.143 176.600 -0.011 0.000 1.029 129 E CA 0.233 56.622 56.400 -0.018 0.000 0.872 129 E CB 1.207 30.897 29.700 -0.016 0.000 1.015 129 E HN 0.643 nan 8.360 nan 0.000 0.417 130 Q N 2.345 122.143 119.800 -0.004 0.000 2.401 130 Q HA 0.327 4.667 4.340 -0.000 0.000 0.260 130 Q C -0.578 175.429 176.000 0.013 0.000 1.034 130 Q CA -0.287 55.519 55.803 0.004 0.000 0.737 130 Q CB 1.939 30.680 28.738 0.004 0.000 1.227 130 Q HN 0.411 nan 8.270 nan 0.000 0.488 131 E N 2.522 122.733 120.200 0.019 0.000 2.183 131 E HA 0.419 4.769 4.350 -0.000 0.000 0.271 131 E C -0.946 175.680 176.600 0.044 0.000 0.919 131 E CA -0.701 55.716 56.400 0.029 0.000 0.781 131 E CB 1.960 31.675 29.700 0.025 0.000 1.140 131 E HN 0.543 nan 8.360 nan 0.000 0.402 132 I N 4.418 125.020 120.570 0.053 0.000 2.575 132 I HA 0.135 4.305 4.170 -0.000 0.000 0.285 132 I C -1.001 175.161 176.117 0.075 0.000 1.085 132 I CA -0.411 60.932 61.300 0.071 0.000 1.403 132 I CB 0.515 38.564 38.000 0.083 0.000 1.409 132 I HN 0.444 nan 8.210 nan 0.000 0.557 133 L N 8.806 130.085 121.223 0.094 0.000 2.295 133 L HA 0.430 4.770 4.340 -0.000 0.000 0.281 133 L C -0.996 175.916 176.870 0.070 0.000 1.018 133 L CA -0.327 54.569 54.840 0.094 0.000 0.841 133 L CB 1.307 43.444 42.059 0.130 0.000 1.218 133 L HN 0.355 nan 8.230 nan 0.000 0.424 134 V N 4.337 124.280 119.914 0.049 0.000 2.530 134 V HA 0.248 4.368 4.120 -0.000 0.000 0.282 134 V C 1.348 177.442 176.094 0.000 0.000 1.048 134 V CA 0.539 62.850 62.300 0.017 0.000 0.997 134 V CB 1.041 32.879 31.823 0.024 0.000 0.987 134 V HN 0.942 nan 8.190 nan 0.000 0.477 135 T N -0.297 114.226 114.554 -0.051 0.000 2.990 135 T HA 0.306 4.656 4.350 -0.000 0.000 0.250 135 T C 1.352 176.020 174.700 -0.052 0.000 1.041 135 T CA 0.770 62.837 62.100 -0.055 0.000 1.010 135 T CB 0.583 69.367 68.868 -0.139 0.000 1.003 135 T HN 1.502 nan 8.240 nan 0.000 0.499 136 G N 1.785 110.560 108.800 -0.042 0.000 2.176 136 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.253 136 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.253 136 G C -0.002 174.891 174.900 -0.011 0.000 0.979 136 G CA 0.024 45.111 45.100 -0.021 0.000 0.641 136 G HN 0.607 nan 8.290 nan 0.000 0.530 137 I N 1.256 121.809 120.570 -0.028 0.000 2.325 137 I HA 0.215 4.385 4.170 -0.000 0.000 0.291 137 I C 1.599 177.718 176.117 0.002 0.000 1.019 137 I CA -0.430 60.888 61.300 0.030 0.000 1.302 137 I CB 1.136 39.152 38.000 0.026 0.000 1.401 137 I HN 0.064 nan 8.210 nan 0.000 0.485 138 K N 4.024 124.426 120.400 0.004 0.000 1.987 138 K HA -0.158 4.162 4.320 -0.000 0.000 0.216 138 K C 1.829 178.424 176.600 -0.008 0.000 1.051 138 K CA 1.636 57.919 56.287 -0.006 0.000 0.942 138 K CB -0.248 32.200 32.500 -0.087 0.000 0.722 138 K HN 0.578 nan 8.250 nan 0.000 0.444 139 V N 0.879 120.780 119.914 -0.022 0.000 2.282 139 V HA -0.245 3.875 4.120 -0.000 0.000 0.249 139 V C 2.391 178.453 176.094 -0.053 0.000 1.057 139 V CA 1.757 64.026 62.300 -0.053 0.000 1.032 139 V CB -0.913 30.896 31.823 -0.024 0.000 0.645 139 V HN 0.086 nan 8.190 nan 0.000 0.447 140 V N 0.655 120.535 119.914 -0.056 0.000 2.223 140 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 140 V C 2.502 178.522 176.094 -0.124 0.000 1.045 140 V CA 2.504 64.726 62.300 -0.131 0.000 1.000 140 V CB -0.802 30.849 31.823 -0.286 0.000 0.635 140 V HN 0.514 nan 8.190 nan 0.000 0.445 141 D N -0.219 120.115 120.400 -0.110 0.000 2.126 141 D HA -0.203 4.437 4.640 -0.000 0.000 0.190 141 D C 1.902 178.260 176.300 0.096 0.000 1.001 141 D CA 1.675 55.658 54.000 -0.028 0.000 0.841 141 D CB -0.471 40.311 40.800 -0.030 0.000 0.949 141 D HN 0.322 nan 8.370 nan 0.000 0.446 142 L N 0.203 121.453 121.223 0.045 0.000 1.961 142 L HA -0.099 4.241 4.340 -0.000 0.000 0.210 142 L C 2.202 179.149 176.870 0.129 0.000 1.072 142 L CA 1.618 56.514 54.840 0.093 0.000 0.749 142 L CB -0.519 41.469 42.059 -0.118 0.000 0.889 142 L HN 0.029 nan 8.230 nan 0.000 0.432 143 L N -1.091 120.120 121.223 -0.021 0.000 2.249 143 L HA 0.198 4.538 4.340 -0.000 0.000 0.207 143 L C 0.924 177.779 176.870 -0.025 0.000 1.090 143 L CA 0.619 55.426 54.840 -0.054 0.000 0.802 143 L CB -0.279 41.724 42.059 -0.093 0.000 0.947 143 L HN 0.365 nan 8.230 nan 0.000 0.453 144 A N 0.194 123.018 122.820 0.006 0.000 3.410 144 A HA 0.416 4.736 4.320 -0.000 0.000 0.276 144 A C -2.564 175.067 177.584 0.079 0.000 0.995 144 A CA -0.958 51.111 52.037 0.054 0.000 0.934 144 A CB -0.252 18.806 19.000 0.096 0.000 1.191 144 A HN -0.134 nan 8.150 nan 0.000 0.511 145 P HA 0.052 nan 4.420 nan 0.000 0.264 145 P C -0.471 176.938 177.300 0.181 0.000 1.183 145 P CA 0.646 63.770 63.100 0.040 0.000 0.763 145 P CB 0.400 32.137 31.700 0.062 0.000 0.807 146 Y N 1.286 121.613 120.300 0.044 0.000 2.286 146 Y HA 0.531 5.081 4.550 -0.000 0.000 0.347 146 Y C 1.044 176.957 175.900 0.021 0.000 1.351 146 Y CA -1.547 56.570 58.100 0.028 0.000 1.640 146 Y CB -0.102 38.371 38.460 0.022 0.000 1.560 146 Y HN 0.443 nan 8.280 nan 0.000 0.574 147 A N 0.385 123.314 122.820 0.181 0.000 2.488 147 A HA 0.470 4.790 4.320 -0.000 0.000 0.298 147 A C -0.935 176.679 177.584 0.051 0.000 1.044 147 A CA -1.177 50.915 52.037 0.092 0.000 0.693 147 A CB 0.966 20.001 19.000 0.059 0.000 1.272 147 A HN 0.645 nan 8.150 nan 0.000 0.402 148 K N 0.909 121.335 120.400 0.044 0.000 2.524 148 K HA 0.283 4.603 4.320 -0.000 0.000 0.279 148 K C 1.235 177.835 176.600 -0.000 0.000 0.993 148 K CA 1.158 57.460 56.287 0.024 0.000 1.030 148 K CB 0.179 32.698 32.500 0.030 0.000 0.891 148 K HN 1.833 nan 8.250 nan 0.000 0.488 149 G N 1.977 110.765 108.800 -0.020 0.000 2.186 149 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.266 149 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.266 149 G C 0.550 175.421 174.900 -0.048 0.000 0.982 149 G CA 0.344 45.422 45.100 -0.036 0.000 0.670 149 G HN 0.898 nan 8.290 nan 0.000 0.533 150 G N -0.878 107.894 108.800 -0.048 0.000 2.588 150 G HA2 0.552 4.511 3.960 -0.000 0.000 0.281 150 G HA3 0.552 4.511 3.960 -0.000 0.000 0.281 150 G C -0.119 174.721 174.900 -0.099 0.000 1.236 150 G CA -0.610 44.458 45.100 -0.053 0.000 0.969 150 G HN 0.358 nan 8.290 nan 0.000 0.504 151 K N 0.189 120.534 120.400 -0.091 0.000 2.334 151 K HA 0.394 4.714 4.320 -0.000 0.000 0.265 151 K C -0.704 175.802 176.600 -0.157 0.000 1.039 151 K CA -0.124 56.092 56.287 -0.119 0.000 0.920 151 K CB 1.343 33.800 32.500 -0.071 0.000 1.160 151 K HN 0.264 nan 8.250 nan 0.000 0.451 152 I N 1.026 121.434 120.570 -0.269 0.000 2.525 152 I HA 0.460 4.630 4.170 -0.000 0.000 0.301 152 I C 0.500 176.452 176.117 -0.274 0.000 0.992 152 I CA -0.642 60.429 61.300 -0.381 0.000 1.162 152 I CB 2.068 39.596 38.000 -0.788 0.000 1.332 152 I HN 0.554 nan 8.210 nan 0.000 0.458 153 G N 5.518 114.209 108.800 -0.181 0.000 2.662 153 G HA2 0.684 4.644 3.960 -0.000 0.000 0.302 153 G HA3 0.684 4.644 3.960 -0.000 0.000 0.302 153 G C -1.238 173.623 174.900 -0.064 0.000 1.389 153 G CA -0.551 44.446 45.100 -0.171 0.000 0.998 153 G HN 0.432 nan 8.290 nan 0.000 0.502 154 L N 2.023 123.162 121.223 -0.140 0.000 2.295 154 L HA 0.454 4.794 4.340 -0.000 0.000 0.281 154 L C -0.806 176.006 176.870 -0.096 0.000 1.018 154 L CA -0.649 54.197 54.840 0.010 0.000 0.841 154 L CB 0.921 43.012 42.059 0.053 0.000 1.218 154 L HN 0.314 nan 8.230 nan 0.000 0.424 155 F N 1.522 121.457 119.950 -0.024 0.000 2.410 155 F HA 0.658 5.185 4.527 -0.000 0.000 0.348 155 F C 1.018 176.801 175.800 -0.029 0.000 1.106 155 F CA -0.165 57.799 58.000 -0.059 0.000 1.163 155 F CB 1.780 40.742 39.000 -0.064 0.000 1.129 155 F HN 0.433 nan 8.300 nan 0.000 0.516 156 G N 1.525 110.351 108.800 0.045 0.000 2.766 156 G HA2 0.504 4.464 3.960 -0.000 0.000 0.297 156 G HA3 0.504 4.464 3.960 -0.000 0.000 0.297 156 G C -0.535 174.280 174.900 -0.140 0.000 1.431 156 G CA -0.534 44.572 45.100 0.010 0.000 1.042 156 G HN 0.940 nan 8.290 nan 0.000 0.542 157 G N -0.005 108.707 108.800 -0.147 0.000 2.611 157 G HA2 0.658 4.618 3.960 -0.000 0.000 0.273 157 G HA3 0.658 4.618 3.960 -0.000 0.000 0.273 157 G C 0.782 175.600 174.900 -0.137 0.000 1.305 157 G CA 0.313 45.238 45.100 -0.292 0.000 1.010 157 G HN 1.538 nan 8.290 nan 0.000 0.509 158 A N -1.396 121.413 122.820 -0.019 0.000 2.498 158 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 158 A C 1.624 179.279 177.584 0.117 0.000 1.068 158 A CA 1.026 53.194 52.037 0.218 0.000 0.766 158 A CB -0.526 18.643 19.000 0.282 0.000 1.003 158 A HN 2.556 nan 8.150 nan 0.000 0.497 159 G N 1.071 109.946 108.800 0.124 0.000 2.321 159 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.287 159 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.287 159 G C 0.551 175.496 174.900 0.076 0.000 1.018 159 G CA 0.517 45.666 45.100 0.081 0.000 0.855 159 G HN 1.254 nan 8.290 nan 0.000 0.507 160 V N -1.243 118.724 119.914 0.089 0.000 2.992 160 V HA 0.499 4.619 4.120 -0.000 0.000 0.250 160 V C 2.172 178.357 176.094 0.151 0.000 1.090 160 V CA 1.788 64.149 62.300 0.101 0.000 1.101 160 V CB 0.309 32.169 31.823 0.061 0.000 0.743 160 V HN 1.718 nan 8.190 nan 0.000 0.468 161 G N -0.286 108.594 108.800 0.133 0.000 2.870 161 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 161 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 161 G C 0.751 175.748 174.900 0.161 0.000 0.973 161 G CA 0.186 45.379 45.100 0.155 0.000 0.807 161 G HN 0.341 nan 8.290 nan 0.000 0.573 162 K N 0.312 120.796 120.400 0.139 0.000 2.001 162 K HA -0.111 4.209 4.320 -0.000 0.000 0.214 162 K C 2.449 179.137 176.600 0.147 0.000 1.050 162 K CA 2.105 58.473 56.287 0.135 0.000 0.934 162 K CB -0.442 32.127 32.500 0.116 0.000 0.718 162 K HN 0.247 nan 8.250 nan 0.000 0.443 163 T N 1.173 115.812 114.554 0.142 0.000 2.777 163 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 163 T C 2.092 176.876 174.700 0.140 0.000 1.040 163 T CA 1.107 63.296 62.100 0.148 0.000 1.141 163 T CB -0.200 68.754 68.868 0.142 0.000 0.868 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.532 121.531 119.914 0.142 0.000 2.332 164 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 164 V C 2.386 178.595 176.094 0.192 0.000 1.055 164 V CA 1.294 63.692 62.300 0.165 0.000 1.038 164 V CB -0.602 31.323 31.823 0.170 0.000 0.651 164 V HN 0.327 nan 8.190 nan 0.000 0.450 165 L N -0.410 120.949 121.223 0.227 0.000 2.056 165 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 165 L C 2.124 179.063 176.870 0.115 0.000 1.078 165 L CA 1.766 56.731 54.840 0.208 0.000 0.749 165 L CB -0.522 41.696 42.059 0.266 0.000 0.901 165 L HN 0.198 nan 8.230 nan 0.000 0.433 166 I N -1.222 119.433 120.570 0.142 0.000 2.226 166 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 166 I C 2.306 178.437 176.117 0.023 0.000 1.100 166 I CA 1.122 62.511 61.300 0.148 0.000 1.374 166 I CB -0.145 37.981 38.000 0.209 0.000 1.057 166 I HN 0.318 nan 8.210 nan 0.000 0.413 167 M N -0.204 119.404 119.600 0.013 0.000 2.067 167 M HA -0.241 4.239 4.480 -0.000 0.000 0.260 167 M C 2.208 178.449 176.300 -0.098 0.000 1.069 167 M CA 1.722 56.989 55.300 -0.055 0.000 1.117 167 M CB -1.451 31.145 32.600 -0.007 0.000 1.334 167 M HN 0.119 nan 8.290 nan 0.000 0.407 168 E N 0.780 120.905 120.200 -0.125 0.000 2.097 168 E HA -0.148 4.202 4.350 -0.000 0.000 0.196 168 E C 2.061 178.532 176.600 -0.215 0.000 1.000 168 E CA 1.337 57.573 56.400 -0.274 0.000 0.804 168 E CB -0.348 28.912 29.700 -0.734 0.000 0.740 168 E HN 0.481 nan 8.360 nan 0.000 0.454 169 L N -0.125 121.026 121.223 -0.120 0.000 2.056 169 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 169 L C 2.475 179.354 176.870 0.015 0.000 1.078 169 L CA 0.925 55.772 54.840 0.012 0.000 0.749 169 L CB -0.317 41.862 42.059 0.199 0.000 0.901 169 L HN 0.235 nan 8.230 nan 0.000 0.433 170 I N -0.042 120.449 120.570 -0.131 0.000 2.208 170 I HA -0.344 3.826 4.170 -0.000 0.000 0.245 170 I C 2.273 178.322 176.117 -0.113 0.000 1.097 170 I CA 1.632 62.762 61.300 -0.284 0.000 1.363 170 I CB -0.290 37.411 38.000 -0.498 0.000 1.051 170 I HN 0.388 nan 8.210 nan 0.000 0.413 171 N N 1.195 119.835 118.700 -0.102 0.000 2.028 171 N HA -0.209 4.531 4.740 -0.000 0.000 0.194 171 N C 1.561 177.050 175.510 -0.036 0.000 1.050 171 N CA 1.821 54.831 53.050 -0.066 0.000 0.848 171 N CB -0.066 38.376 38.487 -0.076 0.000 1.038 171 N HN 0.126 nan 8.380 nan 0.000 0.423 172 N N -0.903 117.770 118.700 -0.046 0.000 2.364 172 N HA -0.067 4.673 4.740 -0.000 0.000 0.183 172 N C 0.958 176.481 175.510 0.021 0.000 1.022 172 N CA 0.680 53.715 53.050 -0.024 0.000 0.883 172 N CB 0.176 38.630 38.487 -0.055 0.000 0.965 172 N HN 0.192 nan 8.380 nan 0.000 0.438 173 V N -0.881 119.065 119.914 0.053 0.000 3.161 173 V HA 0.253 4.373 4.120 -0.000 0.000 0.221 173 V C 1.954 178.122 176.094 0.122 0.000 1.296 173 V CA 0.746 63.104 62.300 0.096 0.000 1.306 173 V CB -0.612 31.291 31.823 0.133 0.000 1.171 173 V HN 0.126 nan 8.190 nan 0.000 0.513 174 A N 0.328 123.230 122.820 0.136 0.000 1.883 174 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 174 A C 2.140 179.801 177.584 0.130 0.000 1.186 174 A CA 2.180 54.306 52.037 0.148 0.000 0.624 174 A CB -0.509 18.554 19.000 0.105 0.000 0.822 174 A HN 0.483 nan 8.150 nan 0.000 0.444 175 K N -0.577 119.863 120.400 0.067 0.000 2.044 175 K HA -0.143 4.177 4.320 -0.000 0.000 0.210 175 K C 1.150 177.792 176.600 0.070 0.000 1.049 175 K CA 1.368 57.685 56.287 0.051 0.000 0.927 175 K CB -0.311 32.199 32.500 0.016 0.000 0.713 175 K HN 0.430 nan 8.250 nan 0.000 0.443 176 A N 1.665 124.534 122.820 0.081 0.000 3.290 176 A HA 0.110 4.430 4.320 -0.000 0.000 0.297 176 A C -0.874 176.778 177.584 0.114 0.000 1.285 176 A CA -0.385 51.694 52.037 0.071 0.000 1.060 176 A CB -0.429 18.597 19.000 0.044 0.000 1.114 176 A HN 0.304 nan 8.150 nan 0.000 0.601 177 H N -1.059 118.024 119.070 0.021 0.000 2.492 177 H HA 0.579 5.135 4.556 -0.000 0.000 0.345 177 H C 1.205 176.523 175.328 -0.016 0.000 1.136 177 H CA 0.292 56.348 56.048 0.014 0.000 1.202 177 H CB 1.574 31.363 29.762 0.045 0.000 1.524 177 H HN 0.171 nan 8.280 nan 0.000 0.506 178 G N 3.081 111.545 108.800 -0.561 0.000 2.464 178 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 178 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 178 G C 0.993 175.547 174.900 -0.577 0.000 1.218 178 G CA 0.402 45.222 45.100 -0.467 0.000 0.794 178 G HN 0.812 nan 8.290 nan 0.000 0.542 179 G N -0.853 107.416 108.800 -0.885 0.000 2.441 179 G HA2 0.362 4.322 3.960 -0.000 0.000 0.258 179 G HA3 0.362 4.322 3.960 -0.000 0.000 0.258 179 G C -0.319 174.383 174.900 -0.330 0.000 1.487 179 G CA -0.342 44.378 45.100 -0.634 0.000 1.058 179 G HN 0.166 nan 8.290 nan 0.000 0.552 180 Y N -1.313 118.981 120.300 -0.011 0.000 2.480 180 Y HA 0.649 5.199 4.550 -0.000 0.000 0.323 180 Y C 0.719 176.669 175.900 0.083 0.000 1.267 180 Y CA -1.173 56.881 58.100 -0.077 0.000 1.336 180 Y CB 1.549 39.703 38.460 -0.510 0.000 1.361 180 Y HN 0.329 nan 8.280 nan 0.000 0.518 181 S N -0.240 115.609 115.700 0.250 0.000 2.546 181 S HA 0.732 5.202 4.470 -0.000 0.000 0.274 181 S C -1.610 173.118 174.600 0.214 0.000 1.121 181 S CA -0.790 57.544 58.200 0.224 0.000 0.887 181 S CB 2.087 65.449 63.200 0.270 0.000 1.094 181 S HN 0.267 nan 8.310 nan 0.000 0.474 182 V N 2.817 122.869 119.914 0.230 0.000 2.524 182 V HA 0.487 4.607 4.120 -0.000 0.000 0.297 182 V C -1.296 174.935 176.094 0.229 0.000 1.035 182 V CA -0.601 61.823 62.300 0.206 0.000 0.867 182 V CB 1.322 33.239 31.823 0.156 0.000 1.004 182 V HN 0.853 nan 8.190 nan 0.000 0.426 183 F N 4.187 124.188 119.950 0.085 0.000 2.420 183 F HA 0.807 5.334 4.527 -0.000 0.000 0.342 183 F C 0.297 176.019 175.800 -0.130 0.000 1.113 183 F CA -0.436 57.588 58.000 0.040 0.000 1.059 183 F CB 1.401 40.416 39.000 0.026 0.000 1.128 183 F HN 0.560 nan 8.300 nan 0.000 0.475 184 A N 4.401 126.901 122.820 -0.534 0.000 2.332 184 A HA 0.643 4.963 4.320 -0.000 0.000 0.300 184 A C -0.326 176.923 177.584 -0.559 0.000 1.153 184 A CA -0.360 51.413 52.037 -0.440 0.000 0.764 184 A CB 0.462 19.286 19.000 -0.293 0.000 1.174 184 A HN 1.040 nan 8.150 nan 0.000 0.467 185 G N 1.298 109.784 108.800 -0.524 0.000 2.329 185 G HA2 0.519 4.479 3.960 -0.000 0.000 0.309 185 G HA3 0.519 4.479 3.960 -0.000 0.000 0.309 185 G C -0.624 174.249 174.900 -0.044 0.000 1.110 185 G CA -0.226 44.788 45.100 -0.143 0.000 0.923 185 G HN 0.810 nan 8.290 nan 0.000 0.430 186 V N 2.397 122.302 119.914 -0.014 0.000 2.409 186 V HA 0.646 4.766 4.120 -0.000 0.000 0.291 186 V C 1.198 177.329 176.094 0.061 0.000 1.020 186 V CA 0.218 62.528 62.300 0.016 0.000 0.848 186 V CB 0.958 32.772 31.823 -0.015 0.000 0.990 186 V HN 1.361 nan 8.190 nan 0.000 0.430 187 G N 3.041 111.883 108.800 0.070 0.000 2.212 187 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.267 187 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.267 187 G C 0.267 175.209 174.900 0.069 0.000 1.002 187 G CA 0.737 45.872 45.100 0.058 0.000 0.729 187 G HN 0.641 nan 8.290 nan 0.000 0.517 188 E N -0.609 119.657 120.200 0.110 0.000 3.029 188 E HA 0.448 4.798 4.350 -0.000 0.000 0.249 188 E C 0.889 177.553 176.600 0.106 0.000 1.089 188 E CA -0.890 55.578 56.400 0.112 0.000 1.089 188 E CB 0.539 30.330 29.700 0.152 0.000 1.428 188 E HN 0.396 nan 8.360 nan 0.000 0.555 189 R N 0.156 120.716 120.500 0.101 0.000 2.438 189 R HA 0.175 4.515 4.340 -0.000 0.000 0.287 189 R C 1.288 177.623 176.300 0.058 0.000 1.077 189 R CA 0.071 56.212 56.100 0.069 0.000 1.034 189 R CB 0.316 30.651 30.300 0.058 0.000 0.993 189 R HN 0.407 nan 8.270 nan 0.000 0.459 190 T N 2.399 116.964 114.554 0.019 0.000 2.746 190 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 190 T C 1.761 176.425 174.700 -0.060 0.000 1.039 190 T CA 1.649 63.727 62.100 -0.037 0.000 1.142 190 T CB -0.155 68.692 68.868 -0.035 0.000 0.866 190 T HN 0.638 nan 8.240 nan 0.000 0.444 191 R N 1.641 122.130 120.500 -0.018 0.000 2.159 191 R HA -0.119 4.221 4.340 -0.000 0.000 0.237 191 R C 1.930 178.225 176.300 -0.008 0.000 1.131 191 R CA 1.777 57.872 56.100 -0.008 0.000 0.982 191 R CB -0.309 29.998 30.300 0.012 0.000 0.868 191 R HN 0.435 nan 8.270 nan 0.000 0.453 192 E N 0.041 120.245 120.200 0.006 0.000 2.072 192 E HA -0.072 4.278 4.350 -0.000 0.000 0.190 192 E C 2.054 178.633 176.600 -0.035 0.000 0.982 192 E CA 1.038 57.452 56.400 0.023 0.000 0.803 192 E CB -0.178 29.575 29.700 0.088 0.000 0.755 192 E HN 0.638 nan 8.360 nan 0.000 0.453 193 G N 1.239 109.957 108.800 -0.137 0.000 2.446 193 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.217 193 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.217 193 G C 1.409 176.134 174.900 -0.293 0.000 1.168 193 G CA 1.202 46.009 45.100 -0.488 0.000 0.771 193 G HN 0.229 nan 8.290 nan 0.000 0.551 194 N N 0.563 119.159 118.700 -0.174 0.000 2.120 194 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 194 N C 1.731 177.316 175.510 0.124 0.000 1.024 194 N CA 1.635 54.691 53.050 0.011 0.000 0.852 194 N CB -0.164 38.349 38.487 0.045 0.000 1.003 194 N HN 0.126 nan 8.380 nan 0.000 0.424 195 D N -0.104 120.326 120.400 0.049 0.000 2.149 195 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 195 D C 1.876 178.195 176.300 0.032 0.000 0.990 195 D CA 0.649 54.680 54.000 0.052 0.000 0.839 195 D CB -0.247 40.566 40.800 0.022 0.000 0.948 195 D HN 0.313 nan 8.370 nan 0.000 0.460 196 L N -0.327 120.883 121.223 -0.020 0.000 2.068 196 L HA -0.130 4.210 4.340 -0.000 0.000 0.204 196 L C 2.278 179.137 176.870 -0.018 0.000 1.076 196 L CA 1.247 56.042 54.840 -0.075 0.000 0.753 196 L CB -0.710 41.226 42.059 -0.205 0.000 0.910 196 L HN -0.049 nan 8.230 nan 0.000 0.439 197 Y N 0.417 120.623 120.300 -0.157 0.000 2.053 197 Y HA -0.370 4.180 4.550 -0.000 0.000 0.277 197 Y C 2.639 178.417 175.900 -0.204 0.000 1.159 197 Y CA 2.407 60.388 58.100 -0.199 0.000 1.125 197 Y CB -0.906 37.366 38.460 -0.313 0.000 0.969 197 Y HN 0.434 nan 8.280 nan 0.000 0.492 198 H N -0.736 118.261 119.070 -0.122 0.000 2.421 198 H HA -0.129 4.427 4.556 -0.000 0.000 0.298 198 H C 2.285 177.516 175.328 -0.162 0.000 1.087 198 H CA 1.627 57.548 56.048 -0.212 0.000 1.330 198 H CB -0.063 29.645 29.762 -0.089 0.000 1.388 198 H HN 0.524 nan 8.280 nan 0.000 0.526 199 E N 0.185 120.383 120.200 -0.003 0.000 2.152 199 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 199 E C 1.954 178.514 176.600 -0.066 0.000 0.983 199 E CA 0.648 57.030 56.400 -0.031 0.000 0.818 199 E CB 0.052 29.733 29.700 -0.031 0.000 0.758 199 E HN 0.327 nan 8.360 nan 0.000 0.467 200 M N 0.420 119.965 119.600 -0.093 0.000 2.175 200 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 200 M C 1.873 178.104 176.300 -0.116 0.000 1.063 200 M CA 1.066 56.312 55.300 -0.090 0.000 1.119 200 M CB -0.016 32.542 32.600 -0.069 0.000 1.377 200 M HN 0.153 nan 8.290 nan 0.000 0.415 201 I N -0.355 120.095 120.570 -0.199 0.000 2.099 201 I HA -0.319 3.851 4.170 -0.000 0.000 0.239 201 I C 2.340 178.394 176.117 -0.105 0.000 1.066 201 I CA 1.685 62.864 61.300 -0.201 0.000 1.324 201 I CB -0.367 37.450 38.000 -0.305 0.000 1.037 201 I HN 0.293 nan 8.210 nan 0.000 0.401 202 E N 1.057 121.210 120.200 -0.079 0.000 2.065 202 E HA -0.272 4.078 4.350 -0.000 0.000 0.201 202 E C 2.024 178.599 176.600 -0.041 0.000 1.016 202 E CA 2.289 58.659 56.400 -0.049 0.000 0.818 202 E CB -0.271 29.406 29.700 -0.038 0.000 0.749 202 E HN 0.511 nan 8.360 nan 0.000 0.453 203 S N -1.491 114.185 115.700 -0.041 0.000 2.650 203 S HA 0.231 4.701 4.470 -0.000 0.000 0.219 203 S C 1.471 176.056 174.600 -0.025 0.000 0.960 203 S CA 0.430 58.612 58.200 -0.029 0.000 0.925 203 S CB -0.076 63.107 63.200 -0.028 0.000 0.775 203 S HN 0.628 nan 8.310 nan 0.000 0.525 204 G N 1.050 109.831 108.800 -0.033 0.000 2.160 204 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.251 204 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.251 204 G C 0.736 175.627 174.900 -0.017 0.000 1.008 204 G CA 0.572 45.656 45.100 -0.027 0.000 0.724 204 G HN 1.411 nan 8.290 nan 0.000 0.514 205 V N -2.535 117.369 119.914 -0.017 0.000 2.871 205 V HA 0.403 4.523 4.120 -0.000 0.000 0.256 205 V C 1.193 177.289 176.094 0.004 0.000 1.082 205 V CA 0.868 63.170 62.300 0.004 0.000 1.105 205 V CB -0.056 31.778 31.823 0.019 0.000 0.713 205 V HN 0.350 nan 8.190 nan 0.000 0.473 206 I N 2.923 123.479 120.570 -0.024 0.000 2.354 206 I HA 0.505 4.675 4.170 -0.000 0.000 0.292 206 I C -0.725 175.365 176.117 -0.044 0.000 0.989 206 I CA -0.006 61.279 61.300 -0.026 0.000 1.188 206 I CB 1.145 39.106 38.000 -0.064 0.000 1.342 206 I HN 0.321 nan 8.210 nan 0.000 0.457 207 N N 6.761 125.448 118.700 -0.021 0.000 2.399 207 N HA 0.356 5.096 4.740 -0.000 0.000 0.280 207 N C -0.061 175.441 175.510 -0.014 0.000 1.008 207 N CA -0.475 52.562 53.050 -0.022 0.000 0.894 207 N CB 1.589 40.071 38.487 -0.008 0.000 1.273 207 N HN 0.462 nan 8.380 nan 0.000 0.486 208 L N 2.428 123.638 121.223 -0.022 0.000 2.591 208 L HA 0.223 4.563 4.340 -0.000 0.000 0.228 208 L C 1.717 178.588 176.870 0.002 0.000 1.133 208 L CA 0.278 55.115 54.840 -0.005 0.000 0.880 208 L CB -0.026 42.027 42.059 -0.009 0.000 1.033 208 L HN 0.352 nan 8.230 nan 0.000 0.450 209 K N -0.377 120.022 120.400 -0.001 0.000 2.216 209 K HA 0.215 4.535 4.320 -0.000 0.000 0.207 209 K C 0.237 176.840 176.600 0.005 0.000 1.041 209 K CA 0.552 56.840 56.287 0.002 0.000 0.966 209 K CB 0.290 32.789 32.500 -0.001 0.000 0.955 209 K HN 0.145 nan 8.250 nan 0.000 0.468 210 D N 0.006 120.409 120.400 0.005 0.000 2.549 210 D HA 0.322 4.962 4.640 -0.000 0.000 0.270 210 D C -0.590 175.717 176.300 0.012 0.000 1.181 210 D CA -0.562 53.444 54.000 0.009 0.000 1.070 210 D CB 0.841 41.646 40.800 0.009 0.000 1.154 210 D HN 0.008 nan 8.370 nan 0.000 0.602 211 A N 0.140 122.970 122.820 0.016 0.000 3.095 211 A HA 0.438 4.758 4.320 -0.000 0.000 0.301 211 A C 0.465 178.065 177.584 0.027 0.000 1.432 211 A CA -0.376 51.673 52.037 0.020 0.000 1.140 211 A CB -0.721 18.292 19.000 0.022 0.000 1.174 211 A HN 0.500 nan 8.150 nan 0.000 0.546 212 T N -3.114 111.454 114.554 0.024 0.000 3.262 212 T HA 0.218 4.568 4.350 -0.000 0.000 0.300 212 T C 0.337 175.057 174.700 0.034 0.000 0.959 212 T CA 0.096 62.215 62.100 0.032 0.000 0.936 212 T CB -0.283 68.598 68.868 0.021 0.000 1.169 212 T HN 0.244 nan 8.240 nan 0.000 0.532 213 S N 1.747 117.461 115.700 0.024 0.000 2.564 213 S HA 0.386 4.856 4.470 -0.000 0.000 0.278 213 S C 0.697 175.318 174.600 0.036 0.000 1.333 213 S CA -0.602 57.612 58.200 0.023 0.000 1.048 213 S CB 1.463 64.671 63.200 0.013 0.000 0.900 213 S HN 0.333 nan 8.310 nan 0.000 0.505 214 K N 0.893 121.331 120.400 0.063 0.000 2.358 214 K HA 0.269 4.589 4.320 -0.000 0.000 0.200 214 K C -0.721 175.931 176.600 0.087 0.000 1.030 214 K CA 0.141 56.506 56.287 0.130 0.000 1.097 214 K CB 0.669 33.271 32.500 0.170 0.000 0.862 214 K HN 0.373 nan 8.250 nan 0.000 0.534 215 V N 0.829 120.771 119.914 0.047 0.000 2.656 215 V HA 0.649 4.769 4.120 -0.000 0.000 0.307 215 V C -0.790 175.346 176.094 0.070 0.000 1.051 215 V CA -1.389 60.958 62.300 0.078 0.000 0.893 215 V CB 1.700 33.587 31.823 0.106 0.000 0.999 215 V HN 0.044 nan 8.190 nan 0.000 0.426 216 A N 5.268 128.151 122.820 0.105 0.000 2.318 216 A HA 0.903 5.223 4.320 -0.000 0.000 0.324 216 A C -0.868 176.800 177.584 0.140 0.000 1.170 216 A CA -0.527 51.581 52.037 0.118 0.000 0.810 216 A CB 0.759 19.853 19.000 0.156 0.000 1.198 216 A HN 0.804 nan 8.150 nan 0.000 0.484 217 L N 2.807 124.112 121.223 0.137 0.000 2.322 217 L HA 0.659 4.999 4.340 -0.000 0.000 0.281 217 L C -0.896 176.039 176.870 0.108 0.000 1.014 217 L CA -0.929 54.010 54.840 0.165 0.000 0.815 217 L CB 1.732 43.964 42.059 0.288 0.000 1.247 217 L HN 0.402 nan 8.230 nan 0.000 0.421 218 V N 2.944 122.841 119.914 -0.029 0.000 2.588 218 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 218 V C -1.217 174.732 176.094 -0.243 0.000 1.042 218 V CA -0.642 61.627 62.300 -0.052 0.000 0.877 218 V CB 1.971 33.757 31.823 -0.061 0.000 0.996 218 V HN 0.470 nan 8.190 nan 0.000 0.425 219 Y N 1.201 121.525 120.300 0.039 0.000 2.534 219 Y HA 0.756 5.306 4.550 -0.000 0.000 0.345 219 Y C 0.455 176.370 175.900 0.024 0.000 1.031 219 Y CA -0.677 57.451 58.100 0.046 0.000 1.022 219 Y CB 2.907 41.387 38.460 0.033 0.000 1.292 219 Y HN 0.710 nan 8.280 nan 0.000 0.459 220 G N 3.126 112.040 108.800 0.189 0.000 3.594 220 G HA2 0.267 4.227 3.960 -0.000 0.000 0.295 220 G HA3 0.267 4.227 3.960 -0.000 0.000 0.295 220 G C -1.081 173.890 174.900 0.118 0.000 1.576 220 G CA -0.629 44.540 45.100 0.115 0.000 0.661 220 G HN 0.282 nan 8.290 nan 0.000 0.452 221 Q N 0.903 120.784 119.800 0.136 0.000 2.397 221 Q HA 0.271 4.611 4.340 -0.000 0.000 0.193 221 Q C 1.871 177.909 176.000 0.063 0.000 1.083 221 Q CA -0.629 55.242 55.803 0.114 0.000 1.108 221 Q CB 0.691 29.499 28.738 0.118 0.000 1.172 221 Q HN 0.490 nan 8.270 nan 0.000 0.617 222 M N 0.908 120.541 119.600 0.054 0.000 2.514 222 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 222 M C 1.189 177.501 176.300 0.021 0.000 1.073 222 M CA 1.668 56.986 55.300 0.030 0.000 1.049 222 M CB -0.465 32.150 32.600 0.026 0.000 1.392 222 M HN 0.606 nan 8.290 nan 0.000 0.466 223 N N -1.212 117.502 118.700 0.023 0.000 2.299 223 N HA 0.035 4.775 4.740 -0.000 0.000 0.187 223 N C -0.140 175.379 175.510 0.015 0.000 1.099 223 N CA -0.245 52.814 53.050 0.015 0.000 0.867 223 N CB 0.278 38.772 38.487 0.012 0.000 0.974 223 N HN 0.128 nan 8.380 nan 0.000 0.477 224 E N 1.726 121.938 120.200 0.020 0.000 2.318 224 E HA 0.280 4.630 4.350 -0.000 0.000 0.265 224 E C -2.288 174.317 176.600 0.009 0.000 1.069 224 E CA -2.070 54.340 56.400 0.017 0.000 0.893 224 E CB 0.507 30.222 29.700 0.025 0.000 1.076 224 E HN 0.143 nan 8.360 nan 0.000 0.414 225 P HA 0.060 nan 4.420 nan 0.000 0.272 225 P C -1.912 175.386 177.300 -0.004 0.000 1.223 225 P CA -1.133 61.967 63.100 0.000 0.000 0.784 225 P CB -0.076 31.625 31.700 0.002 0.000 0.923 226 P HA -0.264 nan 4.420 nan 0.000 0.217 226 P C 1.631 178.914 177.300 -0.028 0.000 1.162 226 P CA 2.366 65.449 63.100 -0.028 0.000 0.901 226 P CB -0.815 30.863 31.700 -0.037 0.000 0.793 227 G N 0.037 108.827 108.800 -0.016 0.000 2.469 227 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 227 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 227 G C 1.805 176.708 174.900 0.006 0.000 1.136 227 G CA 1.333 46.429 45.100 -0.006 0.000 0.759 227 G HN 0.440 nan 8.290 nan 0.000 0.562 228 A N 0.474 123.299 122.820 0.009 0.000 1.898 228 A HA 0.071 4.391 4.320 -0.000 0.000 0.216 228 A C 2.420 180.018 177.584 0.023 0.000 1.181 228 A CA 1.540 53.589 52.037 0.019 0.000 0.620 228 A CB -0.358 18.655 19.000 0.021 0.000 0.819 228 A HN 0.334 nan 8.150 nan 0.000 0.442 229 R N -0.676 119.832 120.500 0.014 0.000 2.148 229 R HA -0.008 4.332 4.340 -0.000 0.000 0.227 229 R C 2.268 178.584 176.300 0.028 0.000 1.103 229 R CA 0.976 57.088 56.100 0.018 0.000 0.983 229 R CB -0.298 30.001 30.300 -0.002 0.000 0.874 229 R HN 0.513 nan 8.270 nan 0.000 0.451 230 A N 0.536 123.350 122.820 -0.009 0.000 2.066 230 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 230 A C 1.784 179.427 177.584 0.099 0.000 1.157 230 A CA 0.916 52.928 52.037 -0.042 0.000 0.670 230 A CB 0.026 18.965 19.000 -0.103 0.000 0.804 230 A HN 0.104 nan 8.150 nan 0.000 0.453 231 R N -0.698 119.848 120.500 0.076 0.000 2.250 231 R HA 0.056 4.396 4.340 -0.000 0.000 0.194 231 R C 1.907 178.222 176.300 0.024 0.000 0.927 231 R CA 1.184 57.321 56.100 0.061 0.000 1.052 231 R CB -0.721 29.596 30.300 0.028 0.000 1.055 231 R HN 0.465 nan 8.270 nan 0.000 0.537 232 V N 0.469 120.398 119.914 0.025 0.000 2.439 232 V HA -0.234 3.886 4.120 -0.000 0.000 0.253 232 V C 2.517 178.582 176.094 -0.048 0.000 1.074 232 V CA 1.999 64.293 62.300 -0.009 0.000 1.076 232 V CB -1.327 30.495 31.823 -0.001 0.000 0.664 232 V HN 0.184 nan 8.190 nan 0.000 0.461 233 A N 0.754 123.550 122.820 -0.040 0.000 1.902 233 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 233 A C 2.267 179.754 177.584 -0.162 0.000 1.181 233 A CA 2.058 54.013 52.037 -0.137 0.000 0.623 233 A CB -0.601 18.265 19.000 -0.224 0.000 0.818 233 A HN 0.537 nan 8.150 nan 0.000 0.443 234 L N -0.626 120.518 121.223 -0.132 0.000 2.042 234 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 234 L C 2.800 179.586 176.870 -0.140 0.000 1.076 234 L CA 1.937 56.681 54.840 -0.160 0.000 0.749 234 L CB -1.261 40.678 42.059 -0.200 0.000 0.893 234 L HN 0.382 nan 8.230 nan 0.000 0.432 235 T N -0.228 114.261 114.554 -0.109 0.000 2.674 235 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 235 T C 1.839 176.489 174.700 -0.083 0.000 1.039 235 T CA 1.480 63.529 62.100 -0.085 0.000 1.150 235 T CB -0.640 68.196 68.868 -0.054 0.000 0.864 235 T HN 0.556 nan 8.240 nan 0.000 0.427 236 G N 1.538 110.281 108.800 -0.094 0.000 2.442 236 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.219 236 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.219 236 G C 1.529 176.379 174.900 -0.083 0.000 1.141 236 G CA 0.797 45.843 45.100 -0.089 0.000 0.763 236 G HN 0.373 nan 8.290 nan 0.000 0.554 237 L N 1.241 122.397 121.223 -0.112 0.000 1.990 237 L HA -0.086 4.254 4.340 -0.000 0.000 0.213 237 L C 2.892 179.716 176.870 -0.077 0.000 1.072 237 L CA 2.789 57.563 54.840 -0.110 0.000 0.755 237 L CB -1.303 40.668 42.059 -0.147 0.000 0.889 237 L HN 0.213 nan 8.230 nan 0.000 0.432 238 T N -0.773 113.732 114.554 -0.082 0.000 2.635 238 T HA -0.222 4.128 4.350 -0.000 0.000 0.267 238 T C 2.007 176.667 174.700 -0.066 0.000 1.040 238 T CA 1.941 64.001 62.100 -0.067 0.000 1.156 238 T CB -0.605 68.220 68.868 -0.072 0.000 0.863 238 T HN 0.230 nan 8.240 nan 0.000 0.430 239 V N 1.728 121.596 119.914 -0.077 0.000 2.278 239 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 239 V C 2.859 178.912 176.094 -0.068 0.000 1.062 239 V CA 1.982 64.217 62.300 -0.108 0.000 1.038 239 V CB -1.274 30.521 31.823 -0.046 0.000 0.646 239 V HN 0.588 nan 8.190 nan 0.000 0.447 240 A N -0.551 122.291 122.820 0.037 0.000 1.877 240 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 240 A C 2.134 179.764 177.584 0.077 0.000 1.186 240 A CA 1.968 54.082 52.037 0.128 0.000 0.620 240 A CB -0.551 18.489 19.000 0.067 0.000 0.822 240 A HN 0.657 nan 8.150 nan 0.000 0.443 241 E N -1.531 118.673 120.200 0.005 0.000 2.097 241 E HA -0.274 4.076 4.350 -0.000 0.000 0.196 241 E C 1.828 178.412 176.600 -0.026 0.000 1.000 241 E CA 1.641 58.035 56.400 -0.010 0.000 0.804 241 E CB -0.430 29.257 29.700 -0.022 0.000 0.740 241 E HN 0.794 nan 8.360 nan 0.000 0.454 242 Y N 0.922 121.111 120.300 -0.186 0.000 2.030 242 Y HA -0.329 4.221 4.550 -0.000 0.000 0.274 242 Y C 1.990 177.786 175.900 -0.174 0.000 1.153 242 Y CA 1.971 59.910 58.100 -0.268 0.000 1.115 242 Y CB -0.536 37.630 38.460 -0.490 0.000 0.969 242 Y HN -0.061 nan 8.280 nan 0.000 0.488 243 F N 0.341 120.323 119.950 0.053 0.000 2.154 243 F HA -0.203 4.324 4.527 -0.000 0.000 0.301 243 F C 2.740 178.507 175.800 -0.054 0.000 1.087 243 F CA 1.881 59.896 58.000 0.026 0.000 1.274 243 F CB -1.020 38.142 39.000 0.270 0.000 1.009 243 F HN 0.041 nan 8.300 nan 0.000 0.485 244 R N 0.537 121.108 120.500 0.119 0.000 2.088 244 R HA -0.171 4.169 4.340 -0.000 0.000 0.232 244 R C 1.808 178.089 176.300 -0.032 0.000 1.136 244 R CA 2.271 58.396 56.100 0.042 0.000 0.926 244 R CB -0.411 29.904 30.300 0.024 0.000 0.837 244 R HN 0.164 nan 8.270 nan 0.000 0.429 245 D N -0.072 120.278 120.400 -0.084 0.000 2.162 245 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 245 D C 1.975 178.183 176.300 -0.153 0.000 0.964 245 D CA 0.852 54.792 54.000 -0.100 0.000 0.847 245 D CB -0.157 40.595 40.800 -0.080 0.000 0.988 245 D HN 0.266 nan 8.370 nan 0.000 0.480 246 Q N 0.283 119.900 119.800 -0.304 0.000 2.435 246 Q HA 0.008 4.348 4.340 -0.000 0.000 0.207 246 Q C 0.556 176.386 176.000 -0.283 0.000 0.956 246 Q CA 0.724 56.292 55.803 -0.392 0.000 0.917 246 Q CB 0.371 28.601 28.738 -0.847 0.000 0.997 246 Q HN 0.505 nan 8.270 nan 0.000 0.497 247 E N -1.219 118.871 120.200 -0.185 0.000 2.801 247 E HA 0.170 4.520 4.350 -0.000 0.000 0.212 247 E C 0.301 176.888 176.600 -0.022 0.000 0.963 247 E CA 0.133 56.501 56.400 -0.052 0.000 1.247 247 E CB 1.062 30.802 29.700 0.066 0.000 1.076 247 E HN 0.296 nan 8.360 nan 0.000 0.504 248 G N 2.306 111.083 108.800 -0.039 0.000 2.337 248 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.290 248 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.290 248 G C 0.359 175.248 174.900 -0.018 0.000 1.003 248 G CA 0.647 45.731 45.100 -0.028 0.000 0.825 248 G HN 0.124 nan 8.290 nan 0.000 0.509 249 Q N 0.037 119.841 119.800 0.007 0.000 2.373 249 Q HA 0.244 4.584 4.340 -0.000 0.000 0.255 249 Q C -0.251 175.759 176.000 0.015 0.000 0.980 249 Q CA 0.057 55.857 55.803 -0.005 0.000 0.882 249 Q CB 0.720 29.506 28.738 0.079 0.000 1.249 249 Q HN 0.329 nan 8.270 nan 0.000 0.438 250 D N 1.403 121.791 120.400 -0.019 0.000 2.380 250 D HA 0.252 4.892 4.640 -0.000 0.000 0.230 250 D C -0.525 175.875 176.300 0.166 0.000 1.154 250 D CA -0.104 53.930 54.000 0.056 0.000 0.859 250 D CB 0.830 41.660 40.800 0.051 0.000 1.045 250 D HN 0.069 nan 8.370 nan 0.000 0.495 251 V N 2.694 122.689 119.914 0.136 0.000 2.973 251 V HA 0.510 4.630 4.120 -0.000 0.000 0.314 251 V C 0.303 176.380 176.094 -0.029 0.000 1.066 251 V CA -0.897 61.484 62.300 0.134 0.000 1.021 251 V CB 1.692 33.602 31.823 0.146 0.000 1.076 251 V HN 0.352 nan 8.190 nan 0.000 0.462 252 L N 2.951 124.116 121.223 -0.098 0.000 2.410 252 L HA 0.617 4.957 4.340 -0.000 0.000 0.270 252 L C -1.400 175.349 176.870 -0.202 0.000 0.983 252 L CA -0.554 54.120 54.840 -0.277 0.000 0.822 252 L CB 1.951 43.824 42.059 -0.310 0.000 1.285 252 L HN 0.500 nan 8.230 nan 0.000 0.409 253 L N 3.701 124.675 121.223 -0.415 0.000 2.446 253 L HA 0.577 4.917 4.340 -0.000 0.000 0.268 253 L C -1.622 174.932 176.870 -0.526 0.000 0.975 253 L CA 0.132 54.796 54.840 -0.293 0.000 0.848 253 L CB 1.339 43.272 42.059 -0.210 0.000 1.225 253 L HN 0.214 nan 8.230 nan 0.000 0.410 254 F N 5.741 125.582 119.950 -0.182 0.000 2.436 254 F HA 0.659 5.186 4.527 -0.000 0.000 0.340 254 F C 0.066 175.488 175.800 -0.629 0.000 1.113 254 F CA -0.413 57.403 58.000 -0.306 0.000 1.022 254 F CB 1.548 40.463 39.000 -0.140 0.000 1.128 254 F HN 0.238 nan 8.300 nan 0.000 0.466 255 I N 2.654 122.994 120.570 -0.382 0.000 2.498 255 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 255 I C -1.388 174.521 176.117 -0.347 0.000 1.032 255 I CA -0.657 60.368 61.300 -0.459 0.000 1.073 255 I CB 2.194 40.009 38.000 -0.307 0.000 1.251 255 I HN 0.401 nan 8.210 nan 0.000 0.426 256 D N 5.683 125.886 120.400 -0.329 0.000 2.476 256 D HA 0.285 4.925 4.640 -0.000 0.000 0.251 256 D C -1.426 174.873 176.300 -0.000 0.000 1.291 256 D CA -0.234 53.727 54.000 -0.065 0.000 0.939 256 D CB 1.405 42.276 40.800 0.118 0.000 1.221 256 D HN 0.464 nan 8.370 nan 0.000 0.567 257 N N 3.905 122.623 118.700 0.030 0.000 2.258 257 N HA 0.225 4.965 4.740 -0.000 0.000 0.299 257 N C 0.439 175.976 175.510 0.046 0.000 1.047 257 N CA -0.466 52.616 53.050 0.054 0.000 0.814 257 N CB 1.904 40.481 38.487 0.150 0.000 1.413 257 N HN 0.340 nan 8.380 nan 0.000 0.478 258 I N 3.415 123.983 120.570 -0.003 0.000 3.111 258 I HA -0.038 4.132 4.170 -0.000 0.000 0.272 258 I C 1.594 177.764 176.117 0.089 0.000 1.268 258 I CA 0.480 61.764 61.300 -0.026 0.000 1.467 258 I CB -0.266 37.642 38.000 -0.155 0.000 1.087 258 I HN 0.579 nan 8.210 nan 0.000 0.467 259 F N 1.132 121.106 119.950 0.039 0.000 2.186 259 F HA -0.185 4.342 4.527 -0.000 0.000 0.299 259 F C 2.325 178.212 175.800 0.144 0.000 1.090 259 F CA 1.345 59.409 58.000 0.108 0.000 1.307 259 F CB -0.323 38.776 39.000 0.164 0.000 1.019 259 F HN -0.073 nan 8.300 nan 0.000 0.489 260 R N 0.374 120.842 120.500 -0.053 0.000 2.117 260 R HA -0.244 4.096 4.340 -0.000 0.000 0.243 260 R C 2.225 178.446 176.300 -0.130 0.000 1.143 260 R CA 1.796 57.821 56.100 -0.125 0.000 0.968 260 R CB -1.930 28.385 30.300 0.024 0.000 0.863 260 R HN 0.536 nan 8.270 nan 0.000 0.444 261 F N 1.773 121.611 119.950 -0.187 0.000 2.069 261 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 261 F C 2.051 177.752 175.800 -0.166 0.000 1.113 261 F CA 2.036 59.948 58.000 -0.147 0.000 1.214 261 F CB -0.635 38.289 39.000 -0.126 0.000 0.978 261 F HN -0.094 nan 8.300 nan 0.000 0.474 262 T N 0.383 114.779 114.554 -0.264 0.000 2.746 262 T HA -0.279 4.071 4.350 -0.000 0.000 0.267 262 T C 1.870 176.387 174.700 -0.305 0.000 1.039 262 T CA 1.652 63.545 62.100 -0.345 0.000 1.142 262 T CB -0.507 68.282 68.868 -0.132 0.000 0.866 262 T HN 0.513 nan 8.240 nan 0.000 0.444 263 Q N 0.888 120.427 119.800 -0.434 0.000 2.061 263 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 263 Q C 2.483 178.362 176.000 -0.201 0.000 0.984 263 Q CA 1.750 57.362 55.803 -0.318 0.000 0.846 263 Q CB -0.385 28.095 28.738 -0.431 0.000 0.902 263 Q HN 0.530 nan 8.270 nan 0.000 0.421 264 A N 0.479 123.164 122.820 -0.225 0.000 1.908 264 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 264 A C 2.297 179.767 177.584 -0.191 0.000 1.181 264 A CA 1.763 53.694 52.037 -0.175 0.000 0.627 264 A CB -1.463 17.441 19.000 -0.160 0.000 0.818 264 A HN 0.643 nan 8.150 nan 0.000 0.445 265 G N -0.109 108.516 108.800 -0.292 0.000 2.440 265 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 265 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 265 G C 1.960 176.786 174.900 -0.122 0.000 1.154 265 G CA 1.831 46.778 45.100 -0.255 0.000 0.767 265 G HN 0.936 nan 8.290 nan 0.000 0.552 266 S N 0.386 116.039 115.700 -0.079 0.000 2.423 266 S HA -0.023 4.447 4.470 -0.000 0.000 0.231 266 S C 1.931 176.494 174.600 -0.062 0.000 1.014 266 S CA 1.518 59.697 58.200 -0.035 0.000 0.965 266 S CB -0.224 62.952 63.200 -0.041 0.000 0.785 266 S HN 0.590 nan 8.310 nan 0.000 0.495 267 E N 0.939 121.094 120.200 -0.075 0.000 2.072 267 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 267 E C 2.313 178.885 176.600 -0.047 0.000 0.985 267 E CA 1.524 57.888 56.400 -0.059 0.000 0.801 267 E CB -0.303 29.362 29.700 -0.057 0.000 0.750 267 E HN 0.658 nan 8.360 nan 0.000 0.452 268 V N -1.557 118.326 119.914 -0.051 0.000 3.052 268 V HA -0.035 4.085 4.120 -0.000 0.000 0.254 268 V C 2.204 178.281 176.094 -0.028 0.000 1.100 268 V CA 1.343 63.621 62.300 -0.036 0.000 1.112 268 V CB 0.348 32.149 31.823 -0.037 0.000 0.738 268 V HN 0.130 nan 8.190 nan 0.000 0.469 269 S N 1.449 117.130 115.700 -0.032 0.000 2.372 269 S HA -0.273 4.197 4.470 -0.000 0.000 0.227 269 S C 2.166 176.760 174.600 -0.011 0.000 1.044 269 S CA 2.518 60.707 58.200 -0.019 0.000 1.050 269 S CB -0.699 62.494 63.200 -0.011 0.000 0.901 269 S HN 1.109 nan 8.310 nan 0.000 0.447 270 A N 1.451 124.263 122.820 -0.013 0.000 1.902 270 A HA 0.059 4.379 4.320 -0.000 0.000 0.217 270 A C 2.245 179.825 177.584 -0.006 0.000 1.181 270 A CA 1.516 53.548 52.037 -0.008 0.000 0.623 270 A CB -0.830 18.163 19.000 -0.011 0.000 0.818 270 A HN 0.601 nan 8.150 nan 0.000 0.443 271 L N -0.613 120.605 121.223 -0.009 0.000 2.079 271 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 271 L C 2.230 179.099 176.870 -0.002 0.000 1.081 271 L CA 1.031 55.867 54.840 -0.006 0.000 0.752 271 L CB -0.721 41.334 42.059 -0.007 0.000 0.896 271 L HN 0.360 nan 8.230 nan 0.000 0.433 272 L N 0.077 121.298 121.223 -0.004 0.000 2.549 272 L HA -0.020 4.320 4.340 -0.000 0.000 0.229 272 L C 1.395 178.267 176.870 0.003 0.000 1.158 272 L CA 0.681 55.521 54.840 0.000 0.000 0.842 272 L CB -0.729 41.328 42.059 -0.003 0.000 0.952 272 L HN 0.539 nan 8.230 nan 0.000 0.452 273 G N 0.646 109.447 108.800 0.002 0.000 2.171 273 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.238 273 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.238 273 G C 0.072 174.975 174.900 0.005 0.000 1.039 273 G CA -0.320 44.782 45.100 0.004 0.000 0.759 273 G HN 0.389 nan 8.290 nan 0.000 0.501 274 R N -0.582 119.921 120.500 0.005 0.000 2.428 274 R HA 0.641 4.981 4.340 -0.000 0.000 0.294 274 R C 0.928 177.234 176.300 0.011 0.000 1.000 274 R CA -0.889 55.216 56.100 0.008 0.000 0.960 274 R CB 1.280 31.585 30.300 0.009 0.000 1.076 274 R HN 0.288 nan 8.270 nan 0.000 0.475 275 I N 4.644 125.221 120.570 0.013 0.000 2.648 275 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 275 I C -1.599 174.531 176.117 0.022 0.000 1.153 275 I CA -1.573 59.736 61.300 0.015 0.000 1.426 275 I CB 0.401 38.410 38.000 0.016 0.000 1.381 275 I HN 0.320 nan 8.210 nan 0.000 0.571 276 P HA 0.126 nan 4.420 nan 0.000 0.274 276 P C -0.397 176.932 177.300 0.048 0.000 1.237 276 P CA -0.301 62.820 63.100 0.035 0.000 0.793 276 P CB 1.324 33.040 31.700 0.026 0.000 0.977 277 S N 0.287 116.030 115.700 0.073 0.000 2.521 277 S HA 0.623 5.093 4.470 -0.000 0.000 0.278 277 S C 0.040 174.699 174.600 0.098 0.000 1.140 277 S CA -0.424 57.824 58.200 0.080 0.000 1.028 277 S CB -0.033 63.222 63.200 0.091 0.000 1.203 277 S HN 0.606 nan 8.310 nan 0.000 0.491 278 A N 0.191 123.078 122.820 0.112 0.000 2.483 278 A HA 0.438 4.758 4.320 -0.000 0.000 0.238 278 A C 0.829 178.523 177.584 0.184 0.000 1.070 278 A CA 0.297 52.407 52.037 0.122 0.000 0.770 278 A CB -0.611 18.456 19.000 0.113 0.000 1.008 278 A HN 1.591 nan 8.150 nan 0.000 0.497 279 V N 0.767 120.758 119.914 0.129 0.000 4.349 279 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 279 V C 1.720 177.808 176.094 -0.010 0.000 0.442 279 V CA 1.474 63.832 62.300 0.096 0.000 0.865 279 V CB -2.591 29.346 31.823 0.190 0.000 0.887 279 V HN 2.928 nan 8.190 nan 0.000 1.302 280 G N -2.465 106.342 108.800 0.012 0.000 2.189 280 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.267 280 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.267 280 G C -0.096 174.785 174.900 -0.033 0.000 0.975 280 G CA 0.565 45.643 45.100 -0.036 0.000 0.644 280 G HN 0.955 nan 8.290 nan 0.000 0.537 281 Y N 1.673 121.988 120.300 0.024 0.000 2.314 281 Y HA 0.387 4.937 4.550 -0.000 0.000 0.334 281 Y C 1.527 177.429 175.900 0.003 0.000 1.266 281 Y CA 0.040 58.147 58.100 0.013 0.000 1.391 281 Y CB 0.491 38.967 38.460 0.027 0.000 1.306 281 Y HN 0.456 nan 8.280 nan 0.000 0.558 282 Q N 3.701 123.618 119.800 0.194 0.000 2.330 282 Q HA 0.053 4.393 4.340 -0.000 0.000 0.279 282 Q C -2.117 173.930 176.000 0.079 0.000 1.024 282 Q CA -1.554 54.303 55.803 0.090 0.000 0.900 282 Q CB 0.621 29.390 28.738 0.051 0.000 1.221 282 Q HN 0.400 nan 8.270 nan 0.000 0.396 283 P HA -0.138 nan 4.420 nan 0.000 0.225 283 P C 1.040 178.358 177.300 0.030 0.000 1.148 283 P CA 1.353 64.478 63.100 0.041 0.000 0.779 283 P CB -0.027 31.692 31.700 0.031 0.000 0.780 284 T N -4.178 110.391 114.554 0.024 0.000 3.122 284 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 284 T C 1.577 176.289 174.700 0.020 0.000 1.067 284 T CA -0.327 61.785 62.100 0.019 0.000 0.966 284 T CB -0.993 67.882 68.868 0.013 0.000 1.002 284 T HN -0.076 nan 8.240 nan 0.000 0.542 285 L N 1.335 122.565 121.223 0.011 0.000 1.987 285 L HA -0.216 4.124 4.340 -0.000 0.000 0.230 285 L C 2.891 179.779 176.870 0.028 0.000 1.089 285 L CA 2.417 57.251 54.840 -0.011 0.000 0.802 285 L CB -0.912 41.102 42.059 -0.076 0.000 0.905 285 L HN 0.416 nan 8.230 nan 0.000 0.441 286 A N -0.962 121.879 122.820 0.036 0.000 1.883 286 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 286 A C 2.340 179.980 177.584 0.094 0.000 1.186 286 A CA 2.688 54.769 52.037 0.073 0.000 0.624 286 A CB -1.366 17.669 19.000 0.058 0.000 0.822 286 A HN 0.709 nan 8.150 nan 0.000 0.444 287 T N -1.858 112.739 114.554 0.070 0.000 2.746 287 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 287 T C 1.355 176.112 174.700 0.095 0.000 1.039 287 T CA 1.634 63.778 62.100 0.074 0.000 1.142 287 T CB -0.612 68.287 68.868 0.051 0.000 0.866 287 T HN 0.384 nan 8.240 nan 0.000 0.444 288 D N 0.889 121.351 120.400 0.102 0.000 2.149 288 D HA -0.050 4.590 4.640 -0.000 0.000 0.198 288 D C 1.987 178.444 176.300 0.262 0.000 0.990 288 D CA 1.061 55.163 54.000 0.170 0.000 0.839 288 D CB -0.463 40.405 40.800 0.114 0.000 0.948 288 D HN 0.437 nan 8.370 nan 0.000 0.460 289 M N 0.474 120.201 119.600 0.210 0.000 2.117 289 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 289 M C 2.024 178.297 176.300 -0.046 0.000 1.065 289 M CA 1.931 57.301 55.300 0.117 0.000 1.114 289 M CB -0.219 32.442 32.600 0.102 0.000 1.361 289 M HN 0.039 nan 8.290 nan 0.000 0.408 290 G N -0.242 108.609 108.800 0.085 0.000 2.545 290 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.217 290 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.217 290 G C 1.350 176.285 174.900 0.059 0.000 1.218 290 G CA 1.728 46.906 45.100 0.130 0.000 0.787 290 G HN 0.592 nan 8.290 nan 0.000 0.571 291 T N -1.483 113.105 114.554 0.056 0.000 3.051 291 T HA 0.053 4.403 4.350 -0.000 0.000 0.269 291 T C 2.045 176.742 174.700 -0.005 0.000 1.127 291 T CA 1.429 63.553 62.100 0.039 0.000 1.107 291 T CB 0.023 68.928 68.868 0.062 0.000 0.898 291 T HN 0.248 nan 8.240 nan 0.000 0.517 292 M N 0.018 119.581 119.600 -0.062 0.000 2.556 292 M HA 0.101 4.581 4.480 -0.000 0.000 0.259 292 M C 2.151 178.304 176.300 -0.245 0.000 1.175 292 M CA 0.902 56.092 55.300 -0.183 0.000 1.202 292 M CB -0.232 32.156 32.600 -0.352 0.000 1.298 292 M HN 0.043 nan 8.290 nan 0.000 0.492 293 Q N 1.004 120.617 119.800 -0.311 0.000 2.181 293 Q HA -0.150 4.190 4.340 -0.000 0.000 0.205 293 Q C 1.586 177.494 176.000 -0.154 0.000 0.980 293 Q CA 1.318 56.911 55.803 -0.351 0.000 0.862 293 Q CB -0.410 27.874 28.738 -0.758 0.000 0.905 293 Q HN 0.585 nan 8.270 nan 0.000 0.429 294 E N 0.171 120.336 120.200 -0.060 0.000 2.472 294 E HA -0.111 4.239 4.350 -0.000 0.000 0.200 294 E C 1.446 178.031 176.600 -0.025 0.000 1.046 294 E CA 0.418 56.819 56.400 0.002 0.000 0.871 294 E CB 0.057 29.783 29.700 0.045 0.000 0.806 294 E HN 0.339 nan 8.360 nan 0.000 0.533 295 R N -0.092 120.371 120.500 -0.061 0.000 2.308 295 R HA 0.250 4.590 4.340 -0.000 0.000 0.202 295 R C 0.909 177.163 176.300 -0.076 0.000 0.898 295 R CA 0.015 56.079 56.100 -0.059 0.000 1.046 295 R CB 0.558 30.820 30.300 -0.063 0.000 1.026 295 R HN 0.026 nan 8.270 nan 0.000 0.512 296 I N 1.898 122.406 120.570 -0.103 0.000 2.227 296 I HA 0.097 4.267 4.170 -0.000 0.000 0.297 296 I C -0.111 175.954 176.117 -0.088 0.000 1.173 296 I CA 0.174 61.405 61.300 -0.115 0.000 1.356 296 I CB 0.580 38.483 38.000 -0.162 0.000 1.485 296 I HN -0.064 nan 8.210 nan 0.000 0.604 297 T N 2.632 117.145 114.554 -0.068 0.000 2.830 297 T HA 0.271 4.621 4.350 -0.000 0.000 0.322 297 T C -0.337 174.334 174.700 -0.048 0.000 1.501 297 T CA -0.316 61.751 62.100 -0.055 0.000 1.036 297 T CB 1.731 70.576 68.868 -0.038 0.000 1.379 297 T HN 0.275 nan 8.240 nan 0.000 0.493 298 T N 3.088 117.614 114.554 -0.047 0.000 2.904 298 T HA 0.651 5.001 4.350 -0.000 0.000 0.290 298 T C 0.356 175.031 174.700 -0.042 0.000 1.018 298 T CA -0.123 61.953 62.100 -0.041 0.000 1.075 298 T CB 0.888 69.733 68.868 -0.040 0.000 0.986 298 T HN 0.938 nan 8.240 nan 0.000 0.523 299 T N -0.753 113.778 114.554 -0.039 0.000 2.696 299 T HA 0.467 4.817 4.350 -0.000 0.000 0.291 299 T C 0.836 175.511 174.700 -0.041 0.000 1.095 299 T CA -1.011 61.062 62.100 -0.044 0.000 1.026 299 T CB 1.386 70.231 68.868 -0.039 0.000 1.390 299 T HN 0.350 nan 8.240 nan 0.000 0.513 300 K N -0.016 120.358 120.400 -0.044 0.000 2.211 300 K HA 0.055 4.375 4.320 -0.000 0.000 0.203 300 K C 2.086 178.667 176.600 -0.032 0.000 1.050 300 K CA 0.970 57.233 56.287 -0.039 0.000 0.945 300 K CB -0.073 32.403 32.500 -0.040 0.000 0.732 300 K HN 0.444 nan 8.250 nan 0.000 0.451 301 K N -0.481 119.901 120.400 -0.031 0.000 2.098 301 K HA 0.016 4.336 4.320 -0.000 0.000 0.203 301 K C 0.719 177.303 176.600 -0.027 0.000 1.051 301 K CA 0.784 57.053 56.287 -0.030 0.000 0.957 301 K CB 0.551 33.031 32.500 -0.034 0.000 0.738 301 K HN 0.174 nan 8.250 nan 0.000 0.447 302 G N -1.055 107.731 108.800 -0.024 0.000 2.660 302 G HA2 0.316 4.276 3.960 -0.000 0.000 0.290 302 G HA3 0.316 4.276 3.960 -0.000 0.000 0.290 302 G C -1.682 173.210 174.900 -0.012 0.000 1.432 302 G CA -0.560 44.532 45.100 -0.014 0.000 0.807 302 G HN -0.059 nan 8.290 nan 0.000 0.485 303 S N -0.685 115.014 115.700 -0.001 0.000 2.451 303 S HA 0.724 5.194 4.470 -0.000 0.000 0.301 303 S C -0.514 174.085 174.600 -0.003 0.000 1.116 303 S CA -0.652 57.545 58.200 -0.005 0.000 1.093 303 S CB 0.530 63.733 63.200 0.005 0.000 1.017 303 S HN 0.411 nan 8.310 nan 0.000 0.482 304 I N 4.479 125.032 120.570 -0.029 0.000 2.466 304 I HA 0.206 4.376 4.170 -0.000 0.000 0.279 304 I C -0.334 175.723 176.117 -0.100 0.000 1.033 304 I CA -0.376 60.892 61.300 -0.053 0.000 1.123 304 I CB 1.874 39.839 38.000 -0.057 0.000 1.237 304 I HN 0.514 nan 8.210 nan 0.000 0.460 305 T N 4.154 118.629 114.554 -0.131 0.000 2.794 305 T HA 0.320 4.670 4.350 -0.000 0.000 0.296 305 T C 0.131 174.657 174.700 -0.290 0.000 0.949 305 T CA -0.469 61.522 62.100 -0.181 0.000 1.101 305 T CB 0.679 69.441 68.868 -0.177 0.000 0.905 305 T HN 0.632 nan 8.240 nan 0.000 0.516 306 S N 1.813 117.334 115.700 -0.298 0.000 2.532 306 S HA 0.673 5.143 4.470 -0.000 0.000 0.299 306 S C -0.697 173.666 174.600 -0.396 0.000 1.105 306 S CA -0.882 57.092 58.200 -0.377 0.000 1.018 306 S CB 1.352 64.384 63.200 -0.280 0.000 1.021 306 S HN 0.404 nan 8.310 nan 0.000 0.483 307 V N 3.418 123.033 119.914 -0.498 0.000 2.384 307 V HA 0.489 4.609 4.120 -0.000 0.000 0.287 307 V C -0.461 175.489 176.094 -0.241 0.000 1.020 307 V CA -0.453 61.638 62.300 -0.347 0.000 0.850 307 V CB 1.143 32.816 31.823 -0.250 0.000 0.987 307 V HN 0.956 nan 8.190 nan 0.000 0.436 308 Q N 3.068 122.739 119.800 -0.214 0.000 2.321 308 Q HA 0.748 5.088 4.340 -0.000 0.000 0.270 308 Q C -0.483 175.414 176.000 -0.173 0.000 1.032 308 Q CA -0.638 55.046 55.803 -0.199 0.000 0.784 308 Q CB 2.747 31.343 28.738 -0.237 0.000 1.264 308 Q HN 0.852 nan 8.270 nan 0.000 0.448 309 A N 3.479 126.232 122.820 -0.111 0.000 2.328 309 A HA 0.578 4.898 4.320 -0.000 0.000 0.284 309 A C -0.388 177.132 177.584 -0.107 0.000 1.160 309 A CA -0.387 51.603 52.037 -0.078 0.000 0.818 309 A CB 0.087 19.099 19.000 0.020 0.000 1.087 309 A HN 0.748 nan 8.150 nan 0.000 0.504 310 I N 3.214 123.654 120.570 -0.217 0.000 2.405 310 I HA 0.141 4.311 4.170 -0.000 0.000 0.280 310 I C -0.624 175.410 176.117 -0.138 0.000 1.027 310 I CA -0.482 60.663 61.300 -0.258 0.000 1.161 310 I CB 0.792 38.319 38.000 -0.787 0.000 1.300 310 I HN 0.737 nan 8.210 nan 0.000 0.463 311 Y N 6.891 127.127 120.300 -0.107 0.000 2.610 311 Y HA 0.240 4.790 4.550 -0.000 0.000 0.332 311 Y C -0.249 175.344 175.900 -0.511 0.000 1.201 311 Y CA 0.173 58.111 58.100 -0.270 0.000 1.465 311 Y CB 0.751 39.076 38.460 -0.226 0.000 1.283 311 Y HN 0.261 nan 8.280 nan 0.000 0.563 312 V N 9.527 128.846 119.914 -0.992 0.000 2.313 312 V HA 0.283 4.403 4.120 -0.000 0.000 0.278 312 V C -2.172 173.378 176.094 -0.908 0.000 1.017 312 V CA -2.102 59.782 62.300 -0.693 0.000 0.823 312 V CB 1.053 32.708 31.823 -0.281 0.000 1.010 312 V HN 0.704 nan 8.190 nan 0.000 0.443 313 P HA 0.152 nan 4.420 nan 0.000 0.267 313 P C 0.601 177.842 177.300 -0.099 0.000 1.209 313 P CA 0.731 63.703 63.100 -0.214 0.000 0.763 313 P CB 0.994 32.739 31.700 0.074 0.000 0.816 314 A N 3.736 126.528 122.820 -0.046 0.000 2.829 314 A HA -0.269 4.051 4.320 -0.000 0.000 0.267 314 A C 0.917 178.471 177.584 -0.049 0.000 1.370 314 A CA 1.472 53.501 52.037 -0.014 0.000 0.900 314 A CB -2.616 16.398 19.000 0.022 0.000 1.044 314 A HN 0.542 nan 8.150 nan 0.000 0.691 315 D N -2.162 118.164 120.400 -0.123 0.000 3.028 315 D HA -0.162 4.478 4.640 -0.000 0.000 0.207 315 D C -0.237 176.030 176.300 -0.054 0.000 1.100 315 D CA 2.001 55.939 54.000 -0.103 0.000 0.995 315 D CB -1.297 39.469 40.800 -0.058 0.000 1.108 315 D HN 0.920 nan 8.370 nan 0.000 0.421 316 D N 0.423 120.801 120.400 -0.035 0.000 2.393 316 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 316 D C 1.406 177.730 176.300 0.039 0.000 1.192 316 D CA -0.214 53.792 54.000 0.011 0.000 0.882 316 D CB 0.185 41.008 40.800 0.038 0.000 1.038 316 D HN 0.177 nan 8.370 nan 0.000 0.499 317 L N 2.631 123.885 121.223 0.051 0.000 2.456 317 L HA -0.067 4.273 4.340 -0.000 0.000 0.224 317 L C 2.110 179.057 176.870 0.129 0.000 1.148 317 L CA 1.090 55.998 54.840 0.115 0.000 0.825 317 L CB -0.212 41.906 42.059 0.099 0.000 0.937 317 L HN 0.480 nan 8.230 nan 0.000 0.450 318 T N -5.079 109.525 114.554 0.083 0.000 3.107 318 T HA -0.011 4.339 4.350 -0.000 0.000 0.249 318 T C 0.481 175.247 174.700 0.109 0.000 1.096 318 T CA -0.457 61.690 62.100 0.080 0.000 1.012 318 T CB -0.409 68.486 68.868 0.044 0.000 0.977 318 T HN 0.140 nan 8.240 nan 0.000 0.527 319 D N 2.475 122.957 120.400 0.137 0.000 2.455 319 D HA 0.152 4.792 4.640 -0.000 0.000 0.241 319 D C -1.248 175.143 176.300 0.152 0.000 1.138 319 D CA -1.799 52.312 54.000 0.185 0.000 0.877 319 D CB 1.175 42.111 40.800 0.226 0.000 1.187 319 D HN -0.057 nan 8.370 nan 0.000 0.451 320 P HA -0.291 nan 4.420 nan 0.000 0.218 320 P C 0.811 178.035 177.300 -0.126 0.000 1.154 320 P CA 2.093 65.147 63.100 -0.078 0.000 0.872 320 P CB -0.037 31.520 31.700 -0.238 0.000 0.790 321 A N 0.194 122.915 122.820 -0.165 0.000 1.834 321 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 321 A C 0.026 177.712 177.584 0.170 0.000 1.203 321 A CA 2.804 54.851 52.037 0.017 0.000 0.621 321 A CB -2.313 16.849 19.000 0.270 0.000 0.841 321 A HN 0.224 nan 8.150 nan 0.000 0.446 322 P HA -0.101 nan 4.420 nan 0.000 0.217 322 P C 1.629 179.141 177.300 0.353 0.000 1.150 322 P CA 2.028 65.309 63.100 0.303 0.000 0.832 322 P CB -0.276 31.635 31.700 0.352 0.000 0.787 323 A N 0.061 123.074 122.820 0.322 0.000 1.892 323 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 323 A C 2.246 180.021 177.584 0.319 0.000 1.188 323 A CA 2.694 54.937 52.037 0.343 0.000 0.631 323 A CB -2.101 17.010 19.000 0.185 0.000 0.822 323 A HN 0.231 nan 8.150 nan 0.000 0.447 324 T N -0.285 114.392 114.554 0.205 0.000 3.113 324 T HA -0.006 4.344 4.350 -0.000 0.000 0.263 324 T C 1.479 176.329 174.700 0.251 0.000 1.143 324 T CA 1.525 63.731 62.100 0.178 0.000 1.090 324 T CB -0.261 68.672 68.868 0.108 0.000 0.922 324 T HN 0.599 nan 8.240 nan 0.000 0.521 325 T N 0.897 115.615 114.554 0.273 0.000 3.040 325 T HA 0.196 4.546 4.350 -0.000 0.000 0.252 325 T C 1.429 176.307 174.700 0.297 0.000 1.064 325 T CA -0.011 62.254 62.100 0.275 0.000 1.110 325 T CB -0.243 68.678 68.868 0.089 0.000 0.921 325 T HN 0.283 nan 8.240 nan 0.000 0.480 326 F N 2.635 122.761 119.950 0.294 0.000 2.065 326 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 326 F C 2.714 178.577 175.800 0.105 0.000 1.112 326 F CA 1.187 59.304 58.000 0.196 0.000 1.212 326 F CB -0.829 38.184 39.000 0.021 0.000 0.975 326 F HN 0.149 nan 8.300 nan 0.000 0.476 327 A N -1.440 121.507 122.820 0.212 0.000 2.245 327 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 327 A C 1.507 179.006 177.584 -0.141 0.000 1.171 327 A CA 1.631 53.664 52.037 -0.007 0.000 0.688 327 A CB -1.017 17.902 19.000 -0.135 0.000 0.781 327 A HN 0.576 nan 8.150 nan 0.000 0.479 328 H N -1.696 117.422 119.070 0.080 0.000 2.652 328 H HA 0.352 4.908 4.556 -0.000 0.000 0.274 328 H C -0.101 175.233 175.328 0.010 0.000 1.021 328 H CA -0.035 56.029 56.048 0.027 0.000 1.187 328 H CB 0.221 29.978 29.762 -0.008 0.000 1.505 328 H HN 0.376 nan 8.280 nan 0.000 0.530 329 L N 0.116 121.426 121.223 0.144 0.000 2.332 329 L HA 0.251 4.591 4.340 -0.000 0.000 0.269 329 L C 0.930 177.839 176.870 0.066 0.000 1.016 329 L CA -0.591 54.298 54.840 0.083 0.000 0.809 329 L CB 1.433 43.551 42.059 0.099 0.000 1.280 329 L HN -0.137 nan 8.230 nan 0.000 0.447 330 D N 0.310 120.729 120.400 0.031 0.000 2.380 330 D HA 0.245 4.885 4.640 -0.000 0.000 0.212 330 D C 0.114 176.448 176.300 0.056 0.000 1.021 330 D CA 0.566 54.587 54.000 0.033 0.000 0.884 330 D CB 1.051 41.857 40.800 0.009 0.000 1.001 330 D HN 0.513 nan 8.370 nan 0.000 0.506 331 A N 0.548 123.399 122.820 0.051 0.000 2.459 331 A HA 0.560 4.880 4.320 -0.000 0.000 0.296 331 A C -0.548 177.103 177.584 0.112 0.000 1.039 331 A CA -0.608 51.493 52.037 0.106 0.000 0.698 331 A CB 1.544 20.645 19.000 0.169 0.000 1.261 331 A HN -0.031 nan 8.150 nan 0.000 0.405 332 T N -0.799 113.874 114.554 0.199 0.000 2.848 332 T HA 0.702 5.052 4.350 -0.000 0.000 0.285 332 T C -0.539 174.331 174.700 0.284 0.000 0.995 332 T CA -0.475 61.789 62.100 0.274 0.000 0.970 332 T CB 1.449 70.537 68.868 0.366 0.000 0.976 332 T HN 0.527 nan 8.240 nan 0.000 0.441 333 T N 3.203 117.949 114.554 0.320 0.000 3.042 333 T HA 0.403 4.753 4.350 -0.000 0.000 0.356 333 T C 0.037 174.912 174.700 0.293 0.000 1.233 333 T CA -0.514 61.756 62.100 0.284 0.000 1.038 333 T CB 0.412 69.464 68.868 0.307 0.000 1.089 333 T HN 0.645 nan 8.240 nan 0.000 0.531 334 V N 5.601 125.652 119.914 0.227 0.000 2.389 334 V HA 0.259 4.379 4.120 -0.000 0.000 0.264 334 V C 0.423 176.600 176.094 0.140 0.000 1.049 334 V CA -0.555 61.867 62.300 0.204 0.000 0.932 334 V CB 0.233 32.114 31.823 0.097 0.000 1.011 334 V HN 0.735 nan 8.190 nan 0.000 0.475 335 L N 4.282 125.593 121.223 0.147 0.000 2.371 335 L HA 0.475 4.815 4.340 -0.000 0.000 0.272 335 L C 0.504 177.402 176.870 0.047 0.000 1.124 335 L CA 0.300 55.194 54.840 0.090 0.000 0.816 335 L CB 1.438 43.559 42.059 0.102 0.000 1.129 335 L HN 0.639 nan 8.230 nan 0.000 0.448 336 S N 1.646 117.350 115.700 0.007 0.000 2.502 336 S HA 0.336 4.806 4.470 -0.000 0.000 0.304 336 S C 0.693 175.269 174.600 -0.039 0.000 1.097 336 S CA -0.749 57.440 58.200 -0.018 0.000 1.045 336 S CB 1.726 64.905 63.200 -0.035 0.000 1.019 336 S HN 0.711 nan 8.310 nan 0.000 0.481 337 R N 3.480 123.962 120.500 -0.031 0.000 2.073 337 R HA -0.052 4.288 4.340 -0.000 0.000 0.234 337 R C 2.254 178.523 176.300 -0.053 0.000 1.134 337 R CA 1.921 58.001 56.100 -0.033 0.000 0.952 337 R CB -0.772 29.516 30.300 -0.020 0.000 0.850 337 R HN 0.797 nan 8.270 nan 0.000 0.433 338 A N 1.129 123.920 122.820 -0.047 0.000 1.903 338 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 338 A C 2.168 179.704 177.584 -0.080 0.000 1.191 338 A CA 1.858 53.863 52.037 -0.052 0.000 0.638 338 A CB -0.664 18.310 19.000 -0.043 0.000 0.823 338 A HN 0.408 nan 8.150 nan 0.000 0.451 339 I N -0.591 119.920 120.570 -0.098 0.000 2.202 339 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 339 I C 3.013 178.996 176.117 -0.224 0.000 1.091 339 I CA 1.021 62.239 61.300 -0.137 0.000 1.368 339 I CB -0.499 37.423 38.000 -0.130 0.000 1.058 339 I HN 0.367 nan 8.210 nan 0.000 0.410 340 A N 0.677 123.329 122.820 -0.279 0.000 1.908 340 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 340 A C 2.162 179.573 177.584 -0.288 0.000 1.181 340 A CA 1.809 53.552 52.037 -0.491 0.000 0.627 340 A CB -0.679 18.150 19.000 -0.286 0.000 0.818 340 A HN 0.477 nan 8.150 nan 0.000 0.445 341 E N -0.453 119.668 120.200 -0.132 0.000 2.265 341 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 341 E C 1.542 178.109 176.600 -0.055 0.000 0.996 341 E CA 0.570 56.936 56.400 -0.057 0.000 0.832 341 E CB -0.211 29.473 29.700 -0.028 0.000 0.756 341 E HN 0.622 nan 8.360 nan 0.000 0.491 342 L N -0.544 120.626 121.223 -0.089 0.000 2.554 342 L HA 0.059 4.399 4.340 -0.000 0.000 0.226 342 L C 1.364 178.205 176.870 -0.047 0.000 1.137 342 L CA 0.495 55.298 54.840 -0.062 0.000 0.863 342 L CB 0.123 42.140 42.059 -0.069 0.000 0.985 342 L HN 0.318 nan 8.230 nan 0.000 0.451 343 G N 0.218 108.968 108.800 -0.083 0.000 2.141 343 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.231 343 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.231 343 G C 0.208 175.120 174.900 0.020 0.000 0.984 343 G CA -0.482 44.634 45.100 0.026 0.000 0.660 343 G HN 0.139 nan 8.290 nan 0.000 0.525 344 I N 0.999 121.443 120.570 -0.210 0.000 2.312 344 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 344 I C -0.238 175.600 176.117 -0.465 0.000 1.031 344 I CA -0.520 60.674 61.300 -0.176 0.000 1.293 344 I CB 0.279 38.209 38.000 -0.116 0.000 1.403 344 I HN 0.041 nan 8.210 nan 0.000 0.484 345 Y N 7.136 127.356 120.300 -0.133 0.000 2.391 345 Y HA 0.402 4.952 4.550 -0.000 0.000 0.341 345 Y C -2.176 173.497 175.900 -0.378 0.000 0.965 345 Y CA -2.641 55.320 58.100 -0.232 0.000 1.067 345 Y CB 1.960 40.269 38.460 -0.252 0.000 1.199 345 Y HN 0.406 nan 8.280 nan 0.000 0.450 346 P HA 0.144 nan 4.420 nan 0.000 0.280 346 P C -0.190 177.091 177.300 -0.031 0.000 1.244 346 P CA -0.306 62.773 63.100 -0.035 0.000 0.784 346 P CB 1.286 33.026 31.700 0.067 0.000 0.913 347 A N 3.697 126.494 122.820 -0.039 0.000 2.190 347 A HA 0.110 4.430 4.320 -0.000 0.000 0.226 347 A C 0.620 178.181 177.584 -0.039 0.000 1.402 347 A CA -0.074 51.888 52.037 -0.125 0.000 1.288 347 A CB -1.405 17.495 19.000 -0.168 0.000 0.833 347 A HN 0.404 nan 8.150 nan 0.000 0.564 348 V N 1.153 121.064 119.914 -0.005 0.000 2.585 348 V HA 0.014 4.134 4.120 -0.000 0.000 0.296 348 V C 0.474 176.563 176.094 -0.009 0.000 1.035 348 V CA -0.281 62.033 62.300 0.023 0.000 1.084 348 V CB 0.938 32.786 31.823 0.041 0.000 0.953 348 V HN 0.559 nan 8.190 nan 0.000 0.483 349 D N 7.929 128.330 120.400 0.002 0.000 2.352 349 D HA 0.197 4.837 4.640 -0.000 0.000 0.245 349 D C -1.214 175.071 176.300 -0.025 0.000 1.224 349 D CA -2.102 51.885 54.000 -0.021 0.000 0.879 349 D CB 1.798 42.589 40.800 -0.015 0.000 1.057 349 D HN 0.261 nan 8.370 nan 0.000 0.491 350 P HA -0.080 nan 4.420 nan 0.000 0.220 350 P C 1.277 178.540 177.300 -0.061 0.000 1.148 350 P CA 0.672 63.736 63.100 -0.061 0.000 0.803 350 P CB 0.415 32.064 31.700 -0.085 0.000 0.782 351 L N -1.124 120.064 121.223 -0.059 0.000 2.607 351 L HA 0.192 4.532 4.340 -0.000 0.000 0.228 351 L C 1.534 178.368 176.870 -0.059 0.000 1.123 351 L CA 0.443 55.246 54.840 -0.060 0.000 0.890 351 L CB -0.228 41.797 42.059 -0.058 0.000 1.103 351 L HN -0.114 nan 8.230 nan 0.000 0.468 352 D N -1.277 119.093 120.400 -0.049 0.000 2.498 352 D HA 0.076 4.716 4.640 -0.000 0.000 0.223 352 D C 0.345 176.627 176.300 -0.030 0.000 1.125 352 D CA 0.248 54.213 54.000 -0.059 0.000 0.835 352 D CB 0.748 41.510 40.800 -0.063 0.000 1.086 352 D HN -0.063 nan 8.370 nan 0.000 0.510 353 S N -0.035 115.668 115.700 0.004 0.000 2.525 353 S HA 0.608 5.078 4.470 -0.000 0.000 0.278 353 S C 0.200 174.825 174.600 0.042 0.000 1.234 353 S CA -0.511 57.722 58.200 0.055 0.000 1.058 353 S CB 1.664 64.911 63.200 0.079 0.000 0.983 353 S HN 0.317 nan 8.310 nan 0.000 0.495 354 T N -1.043 113.555 114.554 0.074 0.000 2.838 354 T HA 0.816 5.166 4.350 -0.000 0.000 0.292 354 T C -0.745 174.007 174.700 0.086 0.000 1.113 354 T CA -0.916 61.216 62.100 0.052 0.000 1.008 354 T CB 1.809 70.694 68.868 0.027 0.000 1.259 354 T HN 0.496 nan 8.240 nan 0.000 0.520 355 S N -0.925 114.814 115.700 0.065 0.000 2.592 355 S HA 0.339 4.809 4.470 -0.000 0.000 0.275 355 S C 0.379 175.012 174.600 0.054 0.000 1.169 355 S CA -0.821 57.427 58.200 0.079 0.000 0.958 355 S CB 1.351 64.608 63.200 0.094 0.000 1.095 355 S HN 0.781 nan 8.310 nan 0.000 0.471 356 R N 2.733 123.265 120.500 0.053 0.000 2.397 356 R HA 0.037 4.377 4.340 -0.000 0.000 0.213 356 R C 0.885 177.203 176.300 0.030 0.000 1.102 356 R CA 0.804 56.926 56.100 0.037 0.000 1.040 356 R CB -0.224 30.095 30.300 0.032 0.000 0.844 356 R HN 0.559 nan 8.270 nan 0.000 0.478 357 I N -0.211 120.379 120.570 0.033 0.000 3.860 357 I HA 0.005 4.175 4.170 -0.000 0.000 0.319 357 I C 0.817 176.935 176.117 0.003 0.000 1.279 357 I CA 0.076 61.387 61.300 0.018 0.000 1.220 357 I CB -0.178 37.838 38.000 0.028 0.000 1.027 357 I HN 0.099 nan 8.210 nan 0.000 0.428 358 M N 2.094 121.704 119.600 0.017 0.000 3.593 358 M HA 0.077 4.557 4.480 -0.000 0.000 0.204 358 M C -0.504 175.898 176.300 0.169 0.000 1.569 358 M CA -0.037 55.285 55.300 0.037 0.000 1.694 358 M CB -1.317 31.290 32.600 0.012 0.000 1.149 358 M HN -0.006 nan 8.290 nan 0.000 0.552 359 D N 1.698 122.154 120.400 0.093 0.000 2.787 359 D HA 0.437 5.077 4.640 -0.000 0.000 0.246 359 D C -2.331 173.915 176.300 -0.091 0.000 1.150 359 D CA -2.029 51.963 54.000 -0.013 0.000 0.864 359 D CB 2.222 42.999 40.800 -0.038 0.000 1.481 359 D HN 0.066 nan 8.370 nan 0.000 0.509 360 P HA -0.119 nan 4.420 nan 0.000 0.216 360 P C 0.244 177.471 177.300 -0.122 0.000 1.150 360 P CA 1.313 64.242 63.100 -0.284 0.000 0.843 360 P CB 0.026 31.420 31.700 -0.510 0.000 0.787 361 N N -1.345 117.280 118.700 -0.125 0.000 2.571 361 N HA 0.042 4.782 4.740 -0.000 0.000 0.189 361 N C 1.298 176.789 175.510 -0.033 0.000 1.154 361 N CA 0.468 53.478 53.050 -0.067 0.000 0.907 361 N CB -0.289 38.160 38.487 -0.064 0.000 0.977 361 N HN 0.260 nan 8.380 nan 0.000 0.449 362 I N -1.240 119.314 120.570 -0.026 0.000 4.033 362 I HA 0.001 4.171 4.170 -0.000 0.000 0.296 362 I C 1.498 177.626 176.117 0.017 0.000 1.210 362 I CA 0.156 61.454 61.300 -0.003 0.000 1.341 362 I CB 0.265 38.261 38.000 -0.006 0.000 1.369 362 I HN 0.025 nan 8.210 nan 0.000 0.453 363 V N -0.632 119.286 119.914 0.007 0.000 3.649 363 V HA 0.573 4.693 4.120 -0.000 0.000 0.275 363 V C 0.822 176.992 176.094 0.128 0.000 1.281 363 V CA 0.230 62.552 62.300 0.036 0.000 1.143 363 V CB -1.020 30.664 31.823 -0.232 0.000 0.892 363 V HN 0.486 nan 8.190 nan 0.000 0.441 364 G N 1.033 109.883 108.800 0.084 0.000 2.716 364 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.686 364 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.686 364 G C 0.438 175.416 174.900 0.130 0.000 1.337 364 G CA 0.264 45.420 45.100 0.093 0.000 0.829 364 G HN 1.409 nan 8.290 nan 0.000 0.599 365 S N -0.396 115.365 115.700 0.102 0.000 2.428 365 S HA -0.034 4.436 4.470 -0.000 0.000 0.230 365 S C 1.717 176.429 174.600 0.186 0.000 1.014 365 S CA 1.639 59.926 58.200 0.145 0.000 0.957 365 S CB 0.006 63.254 63.200 0.081 0.000 0.784 365 S HN 0.876 nan 8.310 nan 0.000 0.499 366 E N 1.139 121.430 120.200 0.151 0.000 2.038 366 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 366 E C 2.022 178.737 176.600 0.192 0.000 1.000 366 E CA 1.431 57.915 56.400 0.140 0.000 0.803 366 E CB -0.353 29.409 29.700 0.103 0.000 0.750 366 E HN 0.858 nan 8.360 nan 0.000 0.448 367 H N -1.391 117.734 119.070 0.092 0.000 2.267 367 H HA -0.222 4.334 4.556 -0.000 0.000 0.297 367 H C 2.191 177.566 175.328 0.079 0.000 1.080 367 H CA 1.681 57.776 56.048 0.078 0.000 1.278 367 H CB -0.207 29.601 29.762 0.077 0.000 1.365 367 H HN 0.255 nan 8.280 nan 0.000 0.489 368 Y N 1.640 122.008 120.300 0.112 0.000 2.139 368 Y HA -0.298 4.252 4.550 -0.000 0.000 0.282 368 Y C 1.817 177.742 175.900 0.042 0.000 1.179 368 Y CA 2.165 60.274 58.100 0.015 0.000 1.161 368 Y CB -0.218 38.234 38.460 -0.013 0.000 0.970 368 Y HN 0.400 nan 8.280 nan 0.000 0.511 369 D N -1.165 119.311 120.400 0.127 0.000 2.234 369 D HA -0.104 4.536 4.640 -0.000 0.000 0.205 369 D C 2.322 178.621 176.300 -0.003 0.000 0.962 369 D CA 1.222 55.253 54.000 0.051 0.000 0.855 369 D CB -0.252 40.620 40.800 0.120 0.000 0.951 369 D HN 0.321 nan 8.370 nan 0.000 0.500 370 V N 1.449 121.385 119.914 0.037 0.000 2.379 370 V HA -0.154 3.966 4.120 -0.000 0.000 0.245 370 V C 2.559 178.625 176.094 -0.045 0.000 1.044 370 V CA 1.516 63.835 62.300 0.033 0.000 1.036 370 V CB -0.825 31.050 31.823 0.087 0.000 0.664 370 V HN 0.144 nan 8.190 nan 0.000 0.453 371 A N 0.590 123.376 122.820 -0.056 0.000 1.859 371 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 371 A C 2.294 179.755 177.584 -0.205 0.000 1.198 371 A CA 1.958 53.913 52.037 -0.136 0.000 0.629 371 A CB -0.546 18.367 19.000 -0.146 0.000 0.830 371 A HN 0.406 nan 8.150 nan 0.000 0.446 372 R N -0.383 119.940 120.500 -0.295 0.000 2.237 372 R HA -0.054 4.286 4.340 -0.000 0.000 0.219 372 R C 2.193 178.410 176.300 -0.138 0.000 1.080 372 R CA 0.969 56.914 56.100 -0.258 0.000 0.995 372 R CB -1.303 28.791 30.300 -0.344 0.000 0.875 372 R HN 0.582 nan 8.270 nan 0.000 0.462 373 G N 0.411 109.150 108.800 -0.102 0.000 2.414 373 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 373 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 373 G C 1.550 176.425 174.900 -0.042 0.000 1.188 373 G CA 0.517 45.591 45.100 -0.045 0.000 0.783 373 G HN 0.127 nan 8.290 nan 0.000 0.537 374 V N 0.932 120.802 119.914 -0.074 0.000 2.255 374 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 374 V C 2.978 179.020 176.094 -0.086 0.000 1.051 374 V CA 2.427 64.671 62.300 -0.092 0.000 1.018 374 V CB -0.730 30.956 31.823 -0.229 0.000 0.641 374 V HN 0.466 nan 8.190 nan 0.000 0.445 375 Q N -0.271 119.464 119.800 -0.108 0.000 2.135 375 Q HA -0.285 4.055 4.340 -0.000 0.000 0.204 375 Q C 2.351 178.319 176.000 -0.053 0.000 0.981 375 Q CA 1.854 57.604 55.803 -0.087 0.000 0.856 375 Q CB -0.309 28.369 28.738 -0.101 0.000 0.902 375 Q HN 0.590 nan 8.270 nan 0.000 0.425 376 K N 1.037 121.409 120.400 -0.047 0.000 2.057 376 K HA -0.138 4.182 4.320 -0.000 0.000 0.207 376 K C 2.005 178.604 176.600 -0.000 0.000 1.049 376 K CA 0.922 57.195 56.287 -0.023 0.000 0.931 376 K CB -0.098 32.390 32.500 -0.020 0.000 0.714 376 K HN 0.212 nan 8.250 nan 0.000 0.440 377 I N 1.094 121.667 120.570 0.005 0.000 2.252 377 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 377 I C 1.809 177.962 176.117 0.059 0.000 1.102 377 I CA 1.064 62.384 61.300 0.034 0.000 1.385 377 I CB 0.079 38.102 38.000 0.039 0.000 1.064 377 I HN 0.215 nan 8.210 nan 0.000 0.414 378 L N 0.142 121.379 121.223 0.023 0.000 2.201 378 L HA -0.215 4.125 4.340 -0.000 0.000 0.212 378 L C 2.504 179.397 176.870 0.039 0.000 1.105 378 L CA 0.896 55.743 54.840 0.012 0.000 0.775 378 L CB -0.620 41.405 42.059 -0.055 0.000 0.913 378 L HN 0.305 nan 8.230 nan 0.000 0.440 379 Q N 0.369 120.181 119.800 0.021 0.000 2.123 379 Q HA -0.188 4.152 4.340 -0.000 0.000 0.199 379 Q C 1.711 177.740 176.000 0.048 0.000 0.966 379 Q CA 1.644 57.460 55.803 0.021 0.000 0.845 379 Q CB -0.033 28.703 28.738 -0.003 0.000 0.907 379 Q HN 0.368 nan 8.270 nan 0.000 0.439 380 D N -0.873 119.560 120.400 0.055 0.000 2.097 380 D HA -0.170 4.470 4.640 -0.000 0.000 0.195 380 D C 1.550 177.902 176.300 0.086 0.000 0.989 380 D CA 1.150 55.181 54.000 0.052 0.000 0.827 380 D CB -0.508 40.315 40.800 0.038 0.000 0.966 380 D HN 0.319 nan 8.370 nan 0.000 0.456 381 Y N 2.052 122.344 120.300 -0.013 0.000 2.081 381 Y HA -0.284 4.266 4.550 -0.000 0.000 0.280 381 Y C 2.274 178.166 175.900 -0.012 0.000 1.163 381 Y CA 1.922 60.016 58.100 -0.011 0.000 1.135 381 Y CB -0.333 38.121 38.460 -0.010 0.000 0.970 381 Y HN -0.163 nan 8.280 nan 0.000 0.498 382 K N -0.126 120.445 120.400 0.285 0.000 2.089 382 K HA -0.245 4.075 4.320 -0.000 0.000 0.210 382 K C 2.204 178.859 176.600 0.092 0.000 1.048 382 K CA 2.334 58.728 56.287 0.177 0.000 0.926 382 K CB -0.383 32.167 32.500 0.083 0.000 0.714 382 K HN 0.547 nan 8.250 nan 0.000 0.448 383 S N 0.391 116.121 115.700 0.050 0.000 2.428 383 S HA -0.062 4.408 4.470 -0.000 0.000 0.230 383 S C 1.951 176.546 174.600 -0.008 0.000 1.014 383 S CA 0.693 58.903 58.200 0.015 0.000 0.957 383 S CB -0.351 62.852 63.200 0.005 0.000 0.784 383 S HN 0.279 nan 8.310 nan 0.000 0.499 384 L N 0.985 122.188 121.223 -0.035 0.000 2.201 384 L HA -0.075 4.265 4.340 -0.000 0.000 0.212 384 L C 2.960 179.785 176.870 -0.075 0.000 1.105 384 L CA 1.055 55.846 54.840 -0.083 0.000 0.775 384 L CB -0.659 41.298 42.059 -0.170 0.000 0.913 384 L HN 0.371 nan 8.230 nan 0.000 0.440 385 Q N 0.020 119.802 119.800 -0.029 0.000 2.217 385 Q HA -0.303 4.037 4.340 -0.000 0.000 0.209 385 Q C 1.658 177.665 176.000 0.013 0.000 0.988 385 Q CA 2.134 57.952 55.803 0.023 0.000 0.878 385 Q CB -0.109 28.704 28.738 0.125 0.000 0.909 385 Q HN 0.489 nan 8.270 nan 0.000 0.424 386 D N -0.335 120.068 120.400 0.004 0.000 2.084 386 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 386 D C 1.563 177.859 176.300 -0.007 0.000 0.990 386 D CA 1.351 55.352 54.000 0.002 0.000 0.826 386 D CB 0.063 40.863 40.800 -0.001 0.000 0.971 386 D HN 0.201 nan 8.370 nan 0.000 0.453 387 I N 0.512 121.071 120.570 -0.018 0.000 2.202 387 I HA -0.197 3.973 4.170 -0.000 0.000 0.242 387 I C 1.957 178.057 176.117 -0.028 0.000 1.091 387 I CA 0.530 61.816 61.300 -0.023 0.000 1.368 387 I CB -0.382 37.599 38.000 -0.032 0.000 1.058 387 I HN 0.086 nan 8.210 nan 0.000 0.410 388 I N 1.636 122.180 120.570 -0.043 0.000 2.399 388 I HA -0.294 3.876 4.170 -0.000 0.000 0.254 388 I C 2.748 178.855 176.117 -0.018 0.000 1.146 388 I CA 1.636 62.909 61.300 -0.045 0.000 1.412 388 I CB -1.881 36.075 38.000 -0.073 0.000 1.076 388 I HN 0.248 nan 8.210 nan 0.000 0.432 389 A N 0.746 123.562 122.820 -0.007 0.000 1.969 389 A HA -0.105 4.215 4.320 -0.000 0.000 0.218 389 A C 2.181 179.765 177.584 0.000 0.000 1.169 389 A CA 1.266 53.306 52.037 0.004 0.000 0.635 389 A CB -0.241 18.765 19.000 0.010 0.000 0.810 389 A HN 0.297 nan 8.150 nan 0.000 0.445 390 I N -1.200 119.367 120.570 -0.004 0.000 2.729 390 I HA 0.092 4.262 4.170 -0.000 0.000 0.256 390 I C 1.877 177.990 176.117 -0.005 0.000 1.115 390 I CA 0.802 62.100 61.300 -0.003 0.000 1.446 390 I CB -1.185 36.812 38.000 -0.004 0.000 1.176 390 I HN 0.198 nan 8.210 nan 0.000 0.446 391 L N 0.264 121.482 121.223 -0.010 0.000 2.607 391 L HA 0.358 4.698 4.340 -0.000 0.000 0.228 391 L C 1.235 178.097 176.870 -0.014 0.000 1.123 391 L CA 0.266 55.099 54.840 -0.011 0.000 0.890 391 L CB -0.461 41.590 42.059 -0.013 0.000 1.103 391 L HN 0.418 nan 8.230 nan 0.000 0.468 392 G N 0.746 109.536 108.800 -0.016 0.000 2.601 392 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.252 392 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.252 392 G C 0.356 175.238 174.900 -0.031 0.000 1.294 392 G CA 0.367 45.456 45.100 -0.019 0.000 0.912 392 G HN 0.113 nan 8.290 nan 0.000 0.574 393 M N 0.206 119.788 119.600 -0.030 0.000 2.476 393 M HA 0.087 4.567 4.480 -0.000 0.000 0.262 393 M C 2.102 178.384 176.300 -0.029 0.000 1.111 393 M CA 1.263 56.540 55.300 -0.038 0.000 1.127 393 M CB -0.219 32.360 32.600 -0.036 0.000 1.376 393 M HN 0.590 nan 8.290 nan 0.000 0.465 394 D N 0.892 121.280 120.400 -0.019 0.000 2.230 394 D HA -0.246 4.394 4.640 -0.000 0.000 0.189 394 D C 1.525 177.815 176.300 -0.016 0.000 1.006 394 D CA 1.698 55.689 54.000 -0.015 0.000 0.853 394 D CB -0.396 40.398 40.800 -0.011 0.000 0.959 394 D HN 0.294 nan 8.370 nan 0.000 0.449 395 E N 0.046 120.235 120.200 -0.018 0.000 2.472 395 E HA 0.050 4.400 4.350 -0.000 0.000 0.200 395 E C 0.463 177.049 176.600 -0.023 0.000 1.046 395 E CA -0.084 56.305 56.400 -0.018 0.000 0.871 395 E CB -0.097 29.593 29.700 -0.017 0.000 0.806 395 E HN 0.329 nan 8.360 nan 0.000 0.533 396 L N 0.743 121.948 121.223 -0.029 0.000 2.461 396 L HA 0.050 4.390 4.340 -0.000 0.000 0.272 396 L C 0.862 177.716 176.870 -0.027 0.000 1.197 396 L CA -0.205 54.613 54.840 -0.035 0.000 0.836 396 L CB 0.711 42.739 42.059 -0.050 0.000 1.105 396 L HN 0.066 nan 8.230 nan 0.000 0.477 397 S N 1.171 116.854 115.700 -0.027 0.000 2.585 397 S HA -0.015 4.455 4.470 -0.000 0.000 0.273 397 S C 0.944 175.533 174.600 -0.018 0.000 1.339 397 S CA -0.406 57.782 58.200 -0.020 0.000 1.028 397 S CB 1.281 64.470 63.200 -0.019 0.000 0.906 397 S HN 0.651 nan 8.310 nan 0.000 0.528 398 E N 1.637 121.830 120.200 -0.012 0.000 2.118 398 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 398 E C 1.843 178.438 176.600 -0.008 0.000 0.992 398 E CA 1.971 58.366 56.400 -0.008 0.000 0.804 398 E CB -0.169 29.529 29.700 -0.004 0.000 0.741 398 E HN 0.859 nan 8.360 nan 0.000 0.458 399 E N -0.343 119.851 120.200 -0.009 0.000 2.046 399 E HA -0.175 4.175 4.350 -0.000 0.000 0.190 399 E C 1.406 177.997 176.600 -0.015 0.000 0.982 399 E CA 1.177 57.572 56.400 -0.008 0.000 0.800 399 E CB 0.041 29.737 29.700 -0.007 0.000 0.756 399 E HN 0.213 nan 8.360 nan 0.000 0.449 400 D N 0.677 121.063 120.400 -0.024 0.000 2.097 400 D HA -0.150 4.490 4.640 -0.000 0.000 0.195 400 D C 1.761 178.032 176.300 -0.049 0.000 0.989 400 D CA 1.127 55.103 54.000 -0.040 0.000 0.827 400 D CB -0.087 40.683 40.800 -0.050 0.000 0.966 400 D HN 0.115 nan 8.370 nan 0.000 0.456 401 K N 0.102 120.477 120.400 -0.041 0.000 2.218 401 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 401 K C 1.955 178.541 176.600 -0.023 0.000 1.046 401 K CA 0.408 56.671 56.287 -0.039 0.000 0.933 401 K CB -0.084 32.401 32.500 -0.024 0.000 0.728 401 K HN 0.067 nan 8.250 nan 0.000 0.454 402 L N 0.890 122.106 121.223 -0.012 0.000 2.179 402 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 402 L C 2.460 179.334 176.870 0.006 0.000 1.096 402 L CA 1.807 56.648 54.840 0.002 0.000 0.779 402 L CB -0.674 41.389 42.059 0.007 0.000 0.922 402 L HN 0.289 nan 8.230 nan 0.000 0.443 403 T N -3.708 110.845 114.554 -0.002 0.000 2.737 403 T HA -0.145 4.205 4.350 -0.000 0.000 0.265 403 T C 1.866 176.590 174.700 0.040 0.000 1.038 403 T CA 1.585 63.695 62.100 0.017 0.000 1.144 403 T CB -1.000 67.874 68.868 0.010 0.000 0.866 403 T HN 0.100 nan 8.240 nan 0.000 0.434 404 V N 2.444 122.347 119.914 -0.019 0.000 2.282 404 V HA -0.228 3.892 4.120 -0.000 0.000 0.249 404 V C 3.121 179.262 176.094 0.079 0.000 1.057 404 V CA 2.336 64.620 62.300 -0.027 0.000 1.032 404 V CB -1.283 30.444 31.823 -0.161 0.000 0.645 404 V HN 0.627 nan 8.190 nan 0.000 0.447 405 S N -0.083 115.639 115.700 0.037 0.000 2.351 405 S HA -0.265 4.205 4.470 -0.000 0.000 0.220 405 S C 2.074 176.688 174.600 0.024 0.000 1.035 405 S CA 1.818 60.041 58.200 0.037 0.000 1.031 405 S CB -0.455 62.760 63.200 0.026 0.000 0.928 405 S HN 0.506 nan 8.310 nan 0.000 0.433 406 R N 1.261 121.771 120.500 0.018 0.000 2.091 406 R HA -0.043 4.297 4.340 -0.000 0.000 0.238 406 R C 2.601 178.909 176.300 0.014 0.000 1.136 406 R CA 1.333 57.429 56.100 -0.007 0.000 0.959 406 R CB -0.607 29.701 30.300 0.014 0.000 0.856 406 R HN 0.469 nan 8.270 nan 0.000 0.437 407 A N 0.839 123.715 122.820 0.093 0.000 1.930 407 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 407 A C 1.972 179.596 177.584 0.067 0.000 1.175 407 A CA 1.200 53.313 52.037 0.126 0.000 0.627 407 A CB -0.295 18.886 19.000 0.301 0.000 0.815 407 A HN 0.235 nan 8.150 nan 0.000 0.443 408 R N -0.388 120.179 120.500 0.113 0.000 2.189 408 R HA -0.024 4.316 4.340 -0.000 0.000 0.218 408 R C 1.749 178.047 176.300 -0.004 0.000 1.074 408 R CA 1.343 57.486 56.100 0.070 0.000 0.991 408 R CB -0.126 30.252 30.300 0.129 0.000 0.883 408 R HN 0.493 nan 8.270 nan 0.000 0.457 409 K N -0.053 120.278 120.400 -0.115 0.000 2.284 409 K HA 0.086 4.406 4.320 -0.000 0.000 0.198 409 K C 1.757 178.187 176.600 -0.284 0.000 1.048 409 K CA 0.526 56.584 56.287 -0.382 0.000 0.987 409 K CB 0.253 32.207 32.500 -0.910 0.000 0.800 409 K HN 0.061 nan 8.250 nan 0.000 0.486 410 I N 1.233 121.757 120.570 -0.077 0.000 2.406 410 I HA -0.203 3.967 4.170 -0.000 0.000 0.249 410 I C 2.496 178.739 176.117 0.210 0.000 1.122 410 I CA 1.049 62.450 61.300 0.168 0.000 1.431 410 I CB 0.131 38.249 38.000 0.197 0.000 1.087 410 I HN 0.172 nan 8.210 nan 0.000 0.424 411 Q N 0.314 120.157 119.800 0.071 0.000 2.050 411 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 411 Q C 2.344 178.398 176.000 0.089 0.000 0.980 411 Q CA 1.630 57.451 55.803 0.030 0.000 0.840 411 Q CB 0.063 28.766 28.738 -0.058 0.000 0.898 411 Q HN 0.354 nan 8.270 nan 0.000 0.424 412 R N -0.726 119.850 120.500 0.126 0.000 2.075 412 R HA -0.120 4.220 4.340 -0.000 0.000 0.232 412 R C 1.960 178.405 176.300 0.241 0.000 1.126 412 R CA 1.251 57.485 56.100 0.223 0.000 0.963 412 R CB -0.293 30.184 30.300 0.295 0.000 0.858 412 R HN 0.207 nan 8.270 nan 0.000 0.435 413 F N 1.121 121.115 119.950 0.074 0.000 2.408 413 F HA -0.051 4.476 4.527 -0.000 0.000 0.300 413 F C 1.383 177.257 175.800 0.123 0.000 1.090 413 F CA 0.993 59.008 58.000 0.025 0.000 1.427 413 F CB 0.020 38.897 39.000 -0.205 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.549 414 L N -0.402 120.897 121.223 0.127 0.000 2.465 414 L HA -0.040 4.300 4.340 -0.000 0.000 0.224 414 L C 1.418 178.237 176.870 -0.085 0.000 1.145 414 L CA 0.364 55.240 54.840 0.059 0.000 0.834 414 L CB -0.855 41.243 42.059 0.065 0.000 0.944 414 L HN 0.135 nan 8.230 nan 0.000 0.451 415 S N -0.332 115.296 115.700 -0.121 0.000 2.669 415 S HA 0.500 4.970 4.470 -0.000 0.000 0.270 415 S C -0.375 174.070 174.600 -0.259 0.000 1.225 415 S CA -0.569 57.516 58.200 -0.192 0.000 0.991 415 S CB 2.052 65.104 63.200 -0.246 0.000 0.987 415 S HN 0.269 nan 8.310 nan 0.000 0.552 416 Q N -0.100 119.528 119.800 -0.285 0.000 2.617 416 Q HA 0.347 4.687 4.340 -0.000 0.000 0.270 416 Q C -3.335 172.497 176.000 -0.279 0.000 0.967 416 Q CA -1.521 54.133 55.803 -0.248 0.000 0.887 416 Q CB 2.009 30.663 28.738 -0.140 0.000 1.516 416 Q HN 0.538 nan 8.270 nan 0.000 0.395 417 P HA 0.319 nan 4.420 nan 0.000 0.286 417 P C -1.107 176.277 177.300 0.140 0.000 1.269 417 P CA -0.191 62.852 63.100 -0.095 0.000 0.787 417 P CB 0.328 31.999 31.700 -0.049 0.000 0.920 418 F N 1.733 121.683 119.950 0.000 0.000 2.425 418 F HA 0.275 4.802 4.527 -0.000 0.000 0.331 418 F C 2.119 177.931 175.800 0.021 0.000 1.085 418 F CA -1.117 56.889 58.000 0.011 0.000 1.028 418 F CB 1.220 40.232 39.000 0.020 0.000 1.177 418 F HN 0.446 nan 8.300 nan 0.000 0.487 419 Q N 1.645 121.558 119.800 0.187 0.000 2.002 419 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 419 Q C 1.478 177.546 176.000 0.114 0.000 0.988 419 Q CA 2.424 58.291 55.803 0.107 0.000 0.843 419 Q CB -0.200 28.568 28.738 0.051 0.000 0.908 419 Q HN 0.515 nan 8.270 nan 0.000 0.420 420 V N 1.061 121.044 119.914 0.116 0.000 2.511 420 V HA -0.287 3.833 4.120 -0.000 0.000 0.257 420 V C 1.897 178.097 176.094 0.178 0.000 1.088 420 V CA 1.862 64.234 62.300 0.119 0.000 1.098 420 V CB -0.859 31.022 31.823 0.097 0.000 0.674 420 V HN 0.546 nan 8.190 nan 0.000 0.470 421 A N -1.456 121.500 122.820 0.227 0.000 2.535 421 A HA 0.230 4.550 4.320 -0.000 0.000 0.273 421 A C 1.695 179.390 177.584 0.184 0.000 1.267 421 A CA -0.071 52.111 52.037 0.242 0.000 0.940 421 A CB -0.175 18.919 19.000 0.156 0.000 1.101 421 A HN 0.524 nan 8.150 nan 0.000 0.521 422 E N -0.071 120.196 120.200 0.112 0.000 2.097 422 E HA -0.185 4.165 4.350 -0.000 0.000 0.196 422 E C 1.645 178.241 176.600 -0.007 0.000 1.000 422 E CA 1.701 58.138 56.400 0.063 0.000 0.804 422 E CB -0.268 29.457 29.700 0.042 0.000 0.740 422 E HN 0.478 nan 8.360 nan 0.000 0.454 423 V N 0.203 120.051 119.914 -0.109 0.000 2.828 423 V HA -0.230 3.890 4.120 -0.000 0.000 0.260 423 V C 1.502 177.345 176.094 -0.418 0.000 1.101 423 V CA 1.589 63.698 62.300 -0.318 0.000 1.123 423 V CB -0.643 30.846 31.823 -0.558 0.000 0.704 423 V HN 0.199 nan 8.190 nan 0.000 0.493 424 F N 0.188 120.125 119.950 -0.021 0.000 2.637 424 F HA 0.063 4.590 4.527 -0.000 0.000 0.284 424 F C 2.574 178.372 175.800 -0.003 0.000 1.105 424 F CA 0.893 58.874 58.000 -0.033 0.000 1.356 424 F CB -0.692 38.253 39.000 -0.091 0.000 1.096 424 F HN 0.151 nan 8.300 nan 0.000 0.616 425 T N -2.635 112.042 114.554 0.203 0.000 2.985 425 T HA 0.215 4.565 4.350 -0.000 0.000 0.266 425 T C 1.956 176.800 174.700 0.239 0.000 1.076 425 T CA 0.969 63.213 62.100 0.241 0.000 1.135 425 T CB -0.467 68.533 68.868 0.219 0.000 0.890 425 T HN 0.476 nan 8.240 nan 0.000 0.480 426 G N 1.062 109.909 108.800 0.078 0.000 2.148 426 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 426 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 426 G C -0.152 174.643 174.900 -0.174 0.000 0.981 426 G CA 0.398 45.449 45.100 -0.082 0.000 0.670 426 G HN 0.869 nan 8.290 nan 0.000 0.528 427 H N -1.855 117.226 119.070 0.018 0.000 2.865 427 H HA 0.672 5.228 4.556 -0.000 0.000 0.372 427 H C -0.109 175.228 175.328 0.014 0.000 1.173 427 H CA -0.999 55.057 56.048 0.014 0.000 1.147 427 H CB 1.402 31.170 29.762 0.010 0.000 1.805 427 H HN 0.198 nan 8.280 nan 0.000 0.553 428 L N 1.645 122.963 121.223 0.158 0.000 2.410 428 L HA 0.313 4.653 4.340 -0.000 0.000 0.273 428 L C 0.902 177.825 176.870 0.088 0.000 1.144 428 L CA 0.260 55.155 54.840 0.092 0.000 0.863 428 L CB 0.239 42.337 42.059 0.066 0.000 1.140 428 L HN 0.886 nan 8.230 nan 0.000 0.463 429 G N 4.354 113.204 108.800 0.084 0.000 2.414 429 G HA2 0.160 4.120 3.960 -0.000 0.000 0.236 429 G HA3 0.160 4.120 3.960 -0.000 0.000 0.236 429 G C -0.470 174.475 174.900 0.076 0.000 1.293 429 G CA -0.424 44.735 45.100 0.099 0.000 0.869 429 G HN 0.480 nan 8.290 nan 0.000 0.556 430 K N 0.562 121.014 120.400 0.086 0.000 2.375 430 K HA 0.516 4.835 4.320 -0.000 0.000 0.249 430 K C -1.346 175.293 176.600 0.065 0.000 0.942 430 K CA -1.047 55.276 56.287 0.059 0.000 0.806 430 K CB 2.571 35.093 32.500 0.036 0.000 1.227 430 K HN 0.289 nan 8.250 nan 0.000 0.430 431 L N 2.254 123.500 121.223 0.039 0.000 2.372 431 L HA 0.362 4.702 4.340 -0.000 0.000 0.273 431 L C -1.317 175.568 176.870 0.025 0.000 0.989 431 L CA -0.726 54.130 54.840 0.026 0.000 0.841 431 L CB 1.756 43.823 42.059 0.013 0.000 1.225 431 L HN 0.293 nan 8.230 nan 0.000 0.414 432 V N 6.912 126.840 119.914 0.023 0.000 2.394 432 V HA 0.512 4.632 4.120 -0.000 0.000 0.282 432 V C -2.033 174.076 176.094 0.024 0.000 1.031 432 V CA -1.602 60.716 62.300 0.029 0.000 0.881 432 V CB 1.374 33.215 31.823 0.030 0.000 0.982 432 V HN 0.653 nan 8.190 nan 0.000 0.451 433 P HA 0.132 nan 4.420 nan 0.000 0.271 433 P C 0.723 178.034 177.300 0.019 0.000 1.216 433 P CA -0.389 62.724 63.100 0.022 0.000 0.776 433 P CB 0.841 32.556 31.700 0.024 0.000 0.881 434 L N 4.959 126.184 121.223 0.004 0.000 1.991 434 L HA -0.280 4.060 4.340 -0.000 0.000 0.221 434 L C 2.259 179.112 176.870 -0.029 0.000 1.079 434 L CA 2.391 57.216 54.840 -0.026 0.000 0.778 434 L CB -1.332 40.708 42.059 -0.032 0.000 0.893 434 L HN 0.471 nan 8.230 nan 0.000 0.437 435 K N -1.517 118.878 120.400 -0.008 0.000 2.218 435 K HA -0.204 4.116 4.320 -0.000 0.000 0.205 435 K C 1.633 178.253 176.600 0.033 0.000 1.046 435 K CA 1.764 58.054 56.287 0.005 0.000 0.933 435 K CB -0.491 32.020 32.500 0.018 0.000 0.728 435 K HN 0.408 nan 8.250 nan 0.000 0.454 436 E N 0.706 120.934 120.200 0.047 0.000 2.152 436 E HA -0.067 4.282 4.350 -0.000 0.000 0.192 436 E C 1.945 178.623 176.600 0.130 0.000 0.983 436 E CA 1.406 57.852 56.400 0.077 0.000 0.818 436 E CB -0.198 29.545 29.700 0.072 0.000 0.758 436 E HN 0.463 nan 8.360 nan 0.000 0.467 437 T N 2.249 116.880 114.554 0.128 0.000 2.770 437 T HA -0.026 4.324 4.350 -0.000 0.000 0.258 437 T C 2.052 176.918 174.700 0.276 0.000 1.039 437 T CA 0.567 62.805 62.100 0.230 0.000 1.143 437 T CB -0.045 68.913 68.868 0.150 0.000 0.866 437 T HN 0.043 nan 8.240 nan 0.000 0.428 438 I N 1.860 122.489 120.570 0.098 0.000 2.118 438 I HA -0.218 3.952 4.170 -0.000 0.000 0.241 438 I C 2.432 178.641 176.117 0.153 0.000 1.070 438 I CA 1.660 63.003 61.300 0.072 0.000 1.327 438 I CB -1.131 36.849 38.000 -0.034 0.000 1.034 438 I HN 0.299 nan 8.210 nan 0.000 0.405 439 K N 1.300 121.771 120.400 0.118 0.000 1.965 439 K HA -0.186 4.134 4.320 -0.000 0.000 0.218 439 K C 2.222 178.895 176.600 0.121 0.000 1.048 439 K CA 2.104 58.455 56.287 0.106 0.000 0.960 439 K CB -0.723 31.823 32.500 0.077 0.000 0.732 439 K HN 0.320 nan 8.250 nan 0.000 0.444 440 G N 0.220 109.077 108.800 0.096 0.000 2.550 440 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.222 440 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.222 440 G C 1.271 176.097 174.900 -0.122 0.000 1.113 440 G CA 1.133 46.197 45.100 -0.060 0.000 0.748 440 G HN 0.324 nan 8.290 nan 0.000 0.585 441 F N 0.602 120.655 119.950 0.172 0.000 2.335 441 F HA 0.095 4.622 4.527 -0.000 0.000 0.296 441 F C 2.996 178.845 175.800 0.082 0.000 1.091 441 F CA 1.067 59.157 58.000 0.149 0.000 1.399 441 F CB -0.289 38.804 39.000 0.155 0.000 1.067 441 F HN 0.192 nan 8.300 nan 0.000 0.520 442 Q N 0.121 120.056 119.800 0.224 0.000 1.975 442 Q HA -0.278 4.062 4.340 -0.000 0.000 0.205 442 Q C 2.148 178.205 176.000 0.094 0.000 0.990 442 Q CA 1.995 57.880 55.803 0.137 0.000 0.845 442 Q CB -0.620 28.175 28.738 0.095 0.000 0.913 442 Q HN 0.463 nan 8.270 nan 0.000 0.420 443 Q N 0.429 120.273 119.800 0.072 0.000 2.118 443 Q HA -0.235 4.105 4.340 -0.000 0.000 0.211 443 Q C 2.149 178.176 176.000 0.044 0.000 0.998 443 Q CA 1.749 57.565 55.803 0.021 0.000 0.872 443 Q CB -0.463 28.318 28.738 0.072 0.000 0.925 443 Q HN 0.445 nan 8.270 nan 0.000 0.414 444 I N 0.375 121.009 120.570 0.108 0.000 2.163 444 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 444 I C 2.326 178.474 176.117 0.051 0.000 1.085 444 I CA 1.133 62.477 61.300 0.073 0.000 1.347 444 I CB -0.368 37.605 38.000 -0.045 0.000 1.044 444 I HN 0.231 nan 8.210 nan 0.000 0.408 445 L N 0.652 121.927 121.223 0.086 0.000 2.012 445 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 445 L C 2.561 179.454 176.870 0.038 0.000 1.073 445 L CA 1.462 56.344 54.840 0.070 0.000 0.748 445 L CB -0.608 41.504 42.059 0.089 0.000 0.891 445 L HN 0.261 nan 8.230 nan 0.000 0.431 446 A N -0.346 122.491 122.820 0.028 0.000 2.264 446 A HA 0.138 4.458 4.320 -0.000 0.000 0.207 446 A C 1.636 179.211 177.584 -0.016 0.000 1.196 446 A CA 0.805 52.844 52.037 0.004 0.000 0.778 446 A CB -0.910 18.086 19.000 -0.006 0.000 0.779 446 A HN 0.631 nan 8.150 nan 0.000 0.483 447 G N -0.581 108.213 108.800 -0.009 0.000 2.179 447 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 447 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 447 G C 0.411 175.286 174.900 -0.042 0.000 1.010 447 G CA 0.598 45.694 45.100 -0.006 0.000 0.736 447 G HN 0.679 nan 8.290 nan 0.000 0.513 448 E N -1.284 118.825 120.200 -0.153 0.000 2.511 448 E HA 0.089 4.438 4.350 -0.000 0.000 0.196 448 E C 0.531 176.833 176.600 -0.496 0.000 1.066 448 E CA 0.560 56.746 56.400 -0.357 0.000 0.871 448 E CB 0.084 29.456 29.700 -0.547 0.000 0.863 448 E HN 0.712 nan 8.360 nan 0.000 0.520 449 Y N -0.674 119.664 120.300 0.062 0.000 2.768 449 Y HA 0.123 4.673 4.550 -0.000 0.000 0.249 449 Y C 0.444 176.266 175.900 -0.130 0.000 1.146 449 Y CA -0.861 57.178 58.100 -0.101 0.000 1.171 449 Y CB 0.491 38.972 38.460 0.035 0.000 1.249 449 Y HN -0.082 nan 8.280 nan 0.000 0.567 450 D N -0.386 120.091 120.400 0.129 0.000 2.351 450 D HA -0.158 4.482 4.640 -0.000 0.000 0.216 450 D C 1.967 178.348 176.300 0.135 0.000 0.968 450 D CA 1.373 55.442 54.000 0.115 0.000 0.899 450 D CB -0.102 40.758 40.800 0.100 0.000 0.907 450 D HN 0.594 nan 8.370 nan 0.000 0.514 451 H N -0.626 118.527 119.070 0.138 0.000 2.465 451 H HA 0.119 4.675 4.556 -0.000 0.000 0.289 451 H C 1.122 176.526 175.328 0.126 0.000 1.022 451 H CA -0.082 56.031 56.048 0.110 0.000 1.340 451 H CB -0.380 29.432 29.762 0.083 0.000 1.437 451 H HN 0.086 nan 8.280 nan 0.000 0.539 452 L N 2.756 123.817 121.223 -0.271 0.000 2.473 452 L HA 0.181 4.521 4.340 -0.000 0.000 0.268 452 L C -2.003 174.914 176.870 0.079 0.000 1.215 452 L CA -1.773 53.004 54.840 -0.104 0.000 0.823 452 L CB 0.219 42.133 42.059 -0.242 0.000 1.099 452 L HN 0.130 nan 8.230 nan 0.000 0.483 453 P HA 0.192 nan 4.420 nan 0.000 0.284 453 P C -0.231 177.198 177.300 0.215 0.000 1.258 453 P CA -0.582 62.579 63.100 0.102 0.000 0.824 453 P CB 0.908 32.632 31.700 0.041 0.000 1.038 454 E N 0.841 121.184 120.200 0.238 0.000 2.033 454 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 454 E C 1.907 178.717 176.600 0.350 0.000 1.011 454 E CA 1.359 57.966 56.400 0.344 0.000 0.815 454 E CB -0.349 29.454 29.700 0.173 0.000 0.755 454 E HN 0.520 nan 8.360 nan 0.000 0.451 455 Q N 0.583 120.479 119.800 0.160 0.000 2.290 455 Q HA -0.250 4.090 4.340 -0.000 0.000 0.211 455 Q C 2.141 178.190 176.000 0.082 0.000 0.991 455 Q CA 1.698 57.565 55.803 0.107 0.000 0.893 455 Q CB -0.669 28.094 28.738 0.042 0.000 0.913 455 Q HN 0.319 nan 8.270 nan 0.000 0.428 456 A N 0.464 123.250 122.820 -0.056 0.000 2.019 456 A HA -0.069 4.251 4.320 -0.000 0.000 0.219 456 A C 1.714 179.073 177.584 -0.374 0.000 1.164 456 A CA 1.073 52.920 52.037 -0.317 0.000 0.644 456 A CB -0.652 17.982 19.000 -0.610 0.000 0.805 456 A HN 0.333 nan 8.150 nan 0.000 0.449 457 F N -2.401 117.557 119.950 0.013 0.000 2.416 457 F HA 0.140 4.667 4.527 -0.000 0.000 0.296 457 F C 1.045 176.930 175.800 0.142 0.000 1.099 457 F CA -0.169 57.861 58.000 0.050 0.000 1.427 457 F CB -0.586 38.436 39.000 0.037 0.000 1.079 457 F HN 0.250 nan 8.300 nan 0.000 0.536 458 Y N 1.889 122.289 120.300 0.167 0.000 2.712 458 Y HA 0.037 4.587 4.550 -0.000 0.000 0.333 458 Y C 0.864 176.766 175.900 0.003 0.000 1.225 458 Y CA -0.792 57.359 58.100 0.085 0.000 1.499 458 Y CB 0.202 38.699 38.460 0.062 0.000 1.288 458 Y HN 0.036 nan 8.280 nan 0.000 0.575 459 M N 5.500 124.672 119.600 -0.713 0.000 2.516 459 M HA -0.168 4.312 4.480 -0.000 0.000 0.183 459 M C -1.231 174.847 176.300 -0.370 0.000 0.928 459 M CA 1.175 56.064 55.300 -0.684 0.000 0.573 459 M CB -2.377 29.658 32.600 -0.941 0.000 1.126 459 M HN 0.530 nan 8.290 nan 0.000 0.859 460 V N -2.420 117.380 119.914 -0.191 0.000 3.181 460 V HA 1.077 5.197 4.120 -0.000 0.000 0.308 460 V C 0.513 176.589 176.094 -0.030 0.000 1.214 460 V CA -0.093 62.167 62.300 -0.066 0.000 1.053 460 V CB 1.767 33.614 31.823 0.040 0.000 1.069 460 V HN 0.462 nan 8.190 nan 0.000 0.441 461 G N 0.183 108.999 108.800 0.026 0.000 3.199 461 G HA2 0.488 4.448 3.960 -0.000 0.000 0.184 461 G HA3 0.488 4.448 3.960 -0.000 0.000 0.184 461 G C -2.288 172.711 174.900 0.164 0.000 1.974 461 G CA -0.420 44.702 45.100 0.037 0.000 0.885 461 G HN 0.784 nan 8.290 nan 0.000 0.575 462 P HA 0.075 nan 4.420 nan 0.000 0.269 462 P C 0.790 178.172 177.300 0.138 0.000 1.217 462 P CA -0.340 62.873 63.100 0.189 0.000 0.783 462 P CB 1.212 32.961 31.700 0.081 0.000 0.898 463 I N 1.582 122.140 120.570 -0.021 0.000 2.264 463 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 463 I C 1.968 177.921 176.117 -0.274 0.000 1.111 463 I CA 1.827 62.900 61.300 -0.379 0.000 1.382 463 I CB -0.527 37.202 38.000 -0.452 0.000 1.060 463 I HN 0.314 nan 8.210 nan 0.000 0.418 464 E N 0.592 120.719 120.200 -0.122 0.000 2.147 464 E HA -0.278 4.072 4.350 -0.000 0.000 0.199 464 E C 2.009 178.543 176.600 -0.111 0.000 1.005 464 E CA 1.885 58.232 56.400 -0.090 0.000 0.810 464 E CB -0.295 29.389 29.700 -0.027 0.000 0.736 464 E HN 0.628 nan 8.360 nan 0.000 0.460 465 E N -0.059 120.088 120.200 -0.088 0.000 2.274 465 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 465 E C 1.907 178.418 176.600 -0.148 0.000 0.996 465 E CA 0.694 57.046 56.400 -0.080 0.000 0.840 465 E CB -0.003 29.681 29.700 -0.026 0.000 0.772 465 E HN 0.291 nan 8.360 nan 0.000 0.491 466 A N 0.967 123.637 122.820 -0.251 0.000 2.016 466 A HA -0.024 4.295 4.320 -0.000 0.000 0.217 466 A C 2.389 179.665 177.584 -0.514 0.000 1.162 466 A CA 0.446 52.230 52.037 -0.423 0.000 0.662 466 A CB -0.182 18.460 19.000 -0.596 0.000 0.812 466 A HN 0.089 nan 8.150 nan 0.000 0.450 467 V N -0.302 119.363 119.914 -0.416 0.000 2.379 467 V HA -0.169 3.951 4.120 -0.000 0.000 0.245 467 V C 3.018 178.998 176.094 -0.189 0.000 1.044 467 V CA 1.743 63.851 62.300 -0.320 0.000 1.036 467 V CB -0.822 30.880 31.823 -0.202 0.000 0.664 467 V HN 0.593 nan 8.190 nan 0.000 0.453 468 A N -0.035 122.698 122.820 -0.145 0.000 1.851 468 A HA -0.309 4.011 4.320 -0.000 0.000 0.216 468 A C 2.292 179.819 177.584 -0.096 0.000 1.195 468 A CA 2.368 54.351 52.037 -0.090 0.000 0.622 468 A CB -0.691 18.270 19.000 -0.065 0.000 0.831 468 A HN 0.509 nan 8.150 nan 0.000 0.444 469 K N -0.293 120.036 120.400 -0.118 0.000 2.228 469 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 469 K C 1.944 178.478 176.600 -0.109 0.000 1.045 469 K CA 1.444 57.672 56.287 -0.097 0.000 0.931 469 K CB -0.320 32.120 32.500 -0.101 0.000 0.727 469 K HN 0.423 nan 8.250 nan 0.000 0.458 470 A N 1.158 123.879 122.820 -0.165 0.000 1.929 470 A HA -0.141 4.179 4.320 -0.000 0.000 0.216 470 A C 1.563 179.107 177.584 -0.068 0.000 1.176 470 A CA 1.697 53.648 52.037 -0.143 0.000 0.628 470 A CB -0.335 18.541 19.000 -0.207 0.000 0.816 470 A HN 0.375 nan 8.150 nan 0.000 0.444 471 D N -0.241 120.126 120.400 -0.055 0.000 2.097 471 D HA -0.147 4.493 4.640 -0.000 0.000 0.197 471 D C 1.856 178.144 176.300 -0.020 0.000 0.984 471 D CA 1.576 55.561 54.000 -0.025 0.000 0.826 471 D CB -0.319 40.469 40.800 -0.021 0.000 0.973 471 D HN 0.546 nan 8.370 nan 0.000 0.460 472 K N 0.562 120.948 120.400 -0.024 0.000 2.160 472 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 472 K C 2.020 178.614 176.600 -0.009 0.000 1.047 472 K CA 0.815 57.094 56.287 -0.013 0.000 0.930 472 K CB -0.056 32.438 32.500 -0.010 0.000 0.720 472 K HN 0.139 nan 8.250 nan 0.000 0.450 473 L N -0.276 120.937 121.223 -0.016 0.000 2.240 473 L HA 0.083 4.423 4.340 -0.000 0.000 0.211 473 L C 1.254 178.123 176.870 -0.003 0.000 1.106 473 L CA 0.208 55.044 54.840 -0.008 0.000 0.793 473 L CB -0.367 41.684 42.059 -0.013 0.000 0.927 473 L HN 0.149 nan 8.230 nan 0.000 0.446 474 A N 0.000 122.817 122.820 -0.005 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.039 52.037 0.003 0.000 0.836 474 A CB 0.000 19.005 19.000 0.008 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486