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 3oee_1_D DATA FIRST_RESID 6 DATA SEQUENCE STPITGKVTA VIGAIVDVHF EQSELPAILN ALEIKTPQGK LVLEVAQHLG DATA SEQUENCE ENTVRTIAMD GTEGLVRGEK VLDTGGPISV PVGRETLGRI INVIGEPIDE DATA SEQUENCE RGPIKSKLRK PIHADPPSFA EQSTSAEILE TGIKVVDLLA PYARGGKIGL DATA SEQUENCE FGGAGVGKTV FIQELINNIA KAHGGFSVFT GVGERTREGN DLYREMKETG DATA SEQUENCE VINLEGESKV ALVFGQMNEP PGARARVALT GLTIAEYFRD EEGQDVLLFI DATA SEQUENCE DNIFRFTQAG SEVSALLGRI PSAVGYQPTL ATDMGLLQER ITTTKKGSVT DATA SEQUENCE SVQAVYVPAD DLTDPAPATT FAHLDATTVL SRGISELGIY PAVDPLDSKS DATA SEQUENCE RLLDAAVVGQ EHYDVASKVQ ETLQTYKSLQ DIIAILGMDE LSEQDKLTVE DATA SEQUENCE RARKIQRFLS QPFAVAEVFT GIPGKLVRLK DTVASFKAVL EGKYDNIPEH DATA SEQUENCE AFYMVGGIED VVAKAEKLAA 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.604 174.600 0.006 0.000 1.055 6 S CA 0.000 58.203 58.200 0.005 0.000 1.107 6 S CB 0.000 63.203 63.200 0.005 0.000 0.593 7 T N 4.437 118.996 114.554 0.008 0.000 3.160 7 T HA 0.431 4.781 4.350 0.001 0.000 0.344 7 T C -2.904 171.808 174.700 0.019 0.000 0.981 7 T CA -1.020 61.087 62.100 0.012 0.000 1.170 7 T CB 0.347 69.219 68.868 0.008 0.000 1.016 7 T HN 0.254 nan 8.240 nan 0.000 0.492 8 P HA 0.350 nan 4.420 nan 0.000 0.260 8 P C -0.125 177.206 177.300 0.051 0.000 1.651 8 P CA -0.317 62.803 63.100 0.033 0.000 1.139 8 P CB -0.198 31.518 31.700 0.027 0.000 1.756 9 I N 1.783 122.392 120.570 0.066 0.000 2.517 9 I HA 0.038 4.208 4.170 0.001 0.000 0.285 9 I C 1.040 177.270 176.117 0.188 0.000 1.106 9 I CA 0.609 61.974 61.300 0.109 0.000 1.402 9 I CB 0.526 38.575 38.000 0.081 0.000 1.399 9 I HN 0.221 nan 8.210 nan 0.000 0.535 10 T N 4.765 119.414 114.554 0.159 0.000 2.888 10 T HA 0.745 5.096 4.350 0.001 0.000 0.284 10 T C -0.122 174.542 174.700 -0.060 0.000 1.017 10 T CA -0.461 61.687 62.100 0.080 0.000 1.022 10 T CB 1.417 70.296 68.868 0.019 0.000 1.013 10 T HN 0.803 nan 8.240 nan 0.000 0.465 11 G N 2.282 110.864 108.800 -0.363 0.000 2.725 11 G HA2 0.681 4.642 3.960 0.001 0.000 0.288 11 G HA3 0.681 4.642 3.960 0.001 0.000 0.288 11 G C -1.720 172.925 174.900 -0.425 0.000 1.399 11 G CA -0.770 43.860 45.100 -0.784 0.000 0.859 11 G HN 0.680 nan 8.290 nan 0.000 0.479 12 K N 0.065 120.266 120.400 -0.330 0.000 2.324 12 K HA 0.524 4.844 4.320 0.001 0.000 0.253 12 K C -0.530 175.991 176.600 -0.133 0.000 0.932 12 K CA -0.744 55.443 56.287 -0.167 0.000 0.799 12 K CB 2.886 35.332 32.500 -0.090 0.000 1.154 12 K HN 0.243 nan 8.250 nan 0.000 0.425 13 V N 2.672 122.532 119.914 -0.091 0.000 2.599 13 V HA -0.060 4.060 4.120 0.001 0.000 0.300 13 V C 1.331 177.403 176.094 -0.036 0.000 1.034 13 V CA 0.806 63.075 62.300 -0.051 0.000 1.115 13 V CB 0.740 32.543 31.823 -0.034 0.000 0.934 13 V HN 1.061 nan 8.190 nan 0.000 0.485 14 T N 0.744 115.288 114.554 -0.018 0.000 3.003 14 T HA 0.635 4.985 4.350 0.001 0.000 0.261 14 T C 0.221 174.916 174.700 -0.009 0.000 1.003 14 T CA 0.421 62.512 62.100 -0.016 0.000 0.917 14 T CB 0.553 69.418 68.868 -0.005 0.000 1.084 14 T HN 1.155 nan 8.240 nan 0.000 0.522 15 A N 0.466 123.285 122.820 -0.002 0.000 2.565 15 A HA 0.632 4.953 4.320 0.001 0.000 0.298 15 A C -1.659 175.927 177.584 0.003 0.000 1.062 15 A CA -0.715 51.322 52.037 0.001 0.000 0.723 15 A CB 1.435 20.439 19.000 0.006 0.000 1.282 15 A HN 0.370 nan 8.150 nan 0.000 0.400 16 V N 3.164 123.078 119.914 0.001 0.000 2.398 16 V HA 0.463 4.583 4.120 0.001 0.000 0.282 16 V C -0.730 175.365 176.094 0.002 0.000 1.014 16 V CA -0.049 62.252 62.300 0.002 0.000 0.838 16 V CB 0.956 32.779 31.823 0.000 0.000 1.018 16 V HN 0.692 nan 8.190 nan 0.000 0.432 17 I N 3.983 124.555 120.570 0.003 0.000 2.411 17 I HA 0.641 4.812 4.170 0.001 0.000 0.284 17 I C 1.241 177.359 176.117 0.002 0.000 1.012 17 I CA -0.226 61.075 61.300 0.002 0.000 1.119 17 I CB 1.389 39.390 38.000 0.002 0.000 1.261 17 I HN 0.751 nan 8.210 nan 0.000 0.448 18 G N 5.144 113.944 108.800 0.000 0.000 2.685 18 G HA2 -0.414 3.546 3.960 0.001 0.000 0.329 18 G HA3 -0.414 3.546 3.960 0.001 0.000 0.329 18 G C 0.950 175.851 174.900 0.001 0.000 1.271 18 G CA 0.860 45.960 45.100 -0.001 0.000 1.003 18 G HN 0.841 nan 8.290 nan 0.000 0.549 19 A N -0.731 122.090 122.820 0.001 0.000 2.218 19 A HA 0.529 4.849 4.320 0.001 0.000 0.209 19 A C 0.943 178.532 177.584 0.008 0.000 1.168 19 A CA 0.919 52.958 52.037 0.004 0.000 0.804 19 A CB 0.001 19.001 19.000 -0.000 0.000 0.834 19 A HN 0.537 nan 8.150 nan 0.000 0.482 20 I N 1.066 121.641 120.570 0.008 0.000 2.336 20 I HA 0.327 4.497 4.170 0.001 0.000 0.292 20 I C -0.654 175.473 176.117 0.017 0.000 0.991 20 I CA -0.889 60.419 61.300 0.014 0.000 1.227 20 I CB 1.159 39.166 38.000 0.011 0.000 1.366 20 I HN -0.143 nan 8.210 nan 0.000 0.466 21 V N 5.747 125.676 119.914 0.025 0.000 2.407 21 V HA 0.305 4.426 4.120 0.001 0.000 0.291 21 V C -0.521 175.596 176.094 0.038 0.000 1.018 21 V CA -0.918 61.397 62.300 0.026 0.000 0.842 21 V CB 1.832 33.670 31.823 0.025 0.000 0.996 21 V HN 0.555 nan 8.190 nan 0.000 0.426 22 D N 3.686 124.106 120.400 0.034 0.000 2.351 22 D HA 0.481 5.121 4.640 0.001 0.000 0.251 22 D C -0.325 176.002 176.300 0.044 0.000 1.137 22 D CA 0.132 54.160 54.000 0.047 0.000 0.879 22 D CB 1.931 42.755 40.800 0.039 0.000 1.181 22 D HN 0.276 nan 8.370 nan 0.000 0.448 23 V N 2.751 122.708 119.914 0.072 0.000 2.569 23 V HA 0.136 4.256 4.120 0.001 0.000 0.301 23 V C -0.119 176.001 176.094 0.043 0.000 1.044 23 V CA -0.917 61.398 62.300 0.025 0.000 0.874 23 V CB 1.887 33.736 31.823 0.044 0.000 1.002 23 V HN 0.576 nan 8.190 nan 0.000 0.424 24 H N 3.939 122.918 119.070 -0.151 0.000 2.511 24 H HA 0.647 5.204 4.556 0.001 0.000 0.346 24 H C -1.665 173.469 175.328 -0.324 0.000 1.128 24 H CA 0.072 56.050 56.048 -0.116 0.000 1.342 24 H CB 1.269 30.978 29.762 -0.089 0.000 1.470 24 H HN 0.515 nan 8.280 nan 0.000 0.546 25 F N 0.869 120.447 119.950 -0.621 0.000 2.664 25 F HA 0.189 4.716 4.527 0.001 0.000 0.317 25 F C 0.095 175.591 175.800 -0.508 0.000 1.108 25 F CA -0.963 56.812 58.000 -0.376 0.000 0.957 25 F CB 1.416 40.273 39.000 -0.239 0.000 1.365 25 F HN 0.452 nan 8.300 nan 0.000 0.475 26 E N 0.430 120.627 120.200 -0.005 0.000 2.312 26 E HA 0.128 4.478 4.350 0.001 0.000 0.259 26 E C -0.727 175.854 176.600 -0.031 0.000 1.122 26 E CA -0.620 55.768 56.400 -0.021 0.000 0.922 26 E CB 0.475 30.195 29.700 0.035 0.000 1.109 26 E HN 0.553 nan 8.360 nan 0.000 0.442 27 Q N 0.244 120.039 119.800 -0.010 0.000 3.113 27 Q HA -0.118 4.222 4.340 0.001 0.000 0.355 27 Q C -0.115 175.870 176.000 -0.024 0.000 1.078 27 Q CA 0.732 56.528 55.803 -0.012 0.000 1.197 27 Q CB -0.952 27.788 28.738 0.005 0.000 0.954 27 Q HN 0.629 nan 8.270 nan 0.000 0.415 28 S N 1.384 117.057 115.700 -0.045 0.000 3.491 28 S HA -0.257 4.214 4.470 0.001 0.000 0.371 28 S C -0.042 174.523 174.600 -0.057 0.000 0.980 28 S CA 1.596 59.763 58.200 -0.054 0.000 1.204 28 S CB -1.878 61.303 63.200 -0.032 0.000 0.915 28 S HN 0.958 nan 8.310 nan 0.000 0.482 29 E N -0.384 119.775 120.200 -0.070 0.000 3.385 29 E HA 0.531 4.881 4.350 0.001 0.000 0.206 29 E C -0.054 176.417 176.600 -0.215 0.000 0.997 29 E CA -0.882 55.466 56.400 -0.086 0.000 1.278 29 E CB 0.262 29.950 29.700 -0.021 0.000 1.165 29 E HN 0.664 nan 8.360 nan 0.000 0.452 30 L N 2.506 123.559 121.223 -0.283 0.000 2.371 30 L HA 0.373 4.713 4.340 0.001 0.000 0.272 30 L C -1.761 174.863 176.870 -0.410 0.000 1.124 30 L CA -1.991 52.545 54.840 -0.506 0.000 0.816 30 L CB 0.351 42.120 42.059 -0.483 0.000 1.129 30 L HN 0.184 nan 8.230 nan 0.000 0.448 31 P HA 0.203 nan 4.420 nan 0.000 0.279 31 P C -0.769 176.510 177.300 -0.035 0.000 1.239 31 P CA -0.524 62.415 63.100 -0.269 0.000 0.789 31 P CB 1.237 32.739 31.700 -0.331 0.000 0.933 32 A N 4.170 126.971 122.820 -0.032 0.000 2.531 32 A HA 0.109 4.430 4.320 0.001 0.000 0.236 32 A C 0.735 178.276 177.584 -0.072 0.000 1.062 32 A CA -0.284 51.729 52.037 -0.040 0.000 0.760 32 A CB -0.706 18.256 19.000 -0.063 0.000 0.995 32 A HN 0.570 nan 8.150 nan 0.000 0.501 33 I N 1.378 121.845 120.570 -0.173 0.000 2.919 33 I HA -0.139 4.031 4.170 0.001 0.000 0.303 33 I C 0.917 176.950 176.117 -0.141 0.000 1.221 33 I CA 1.030 62.233 61.300 -0.163 0.000 1.444 33 I CB 0.082 37.944 38.000 -0.230 0.000 1.331 33 I HN 0.750 nan 8.210 nan 0.000 0.572 34 L N 2.006 123.152 121.223 -0.129 0.000 4.586 34 L HA -0.238 4.103 4.340 0.001 0.000 0.401 34 L C 0.097 176.929 176.870 -0.062 0.000 0.854 34 L CA -0.048 54.689 54.840 -0.173 0.000 1.918 34 L CB -1.567 40.284 42.059 -0.347 0.000 1.631 34 L HN 0.693 nan 8.230 nan 0.000 0.579 35 N N 1.159 119.836 118.700 -0.037 0.000 2.508 35 N HA 0.485 5.226 4.740 0.001 0.000 0.264 35 N C 0.305 175.828 175.510 0.021 0.000 1.216 35 N CA 0.869 53.915 53.050 -0.007 0.000 0.943 35 N CB 0.919 39.390 38.487 -0.027 0.000 1.113 35 N HN 0.297 nan 8.380 nan 0.000 0.447 36 A N 2.400 125.239 122.820 0.032 0.000 2.328 36 A HA 0.551 4.871 4.320 0.001 0.000 0.284 36 A C -0.323 177.290 177.584 0.047 0.000 1.160 36 A CA -0.461 51.601 52.037 0.042 0.000 0.818 36 A CB -0.020 19.003 19.000 0.038 0.000 1.087 36 A HN 0.612 nan 8.150 nan 0.000 0.504 37 L N 1.776 123.037 121.223 0.064 0.000 2.333 37 L HA 0.598 4.939 4.340 0.001 0.000 0.269 37 L C -0.025 176.883 176.870 0.064 0.000 1.010 37 L CA -0.548 54.343 54.840 0.086 0.000 0.818 37 L CB 1.907 44.048 42.059 0.138 0.000 1.306 37 L HN 0.722 nan 8.230 nan 0.000 0.430 38 E N 2.122 122.358 120.200 0.060 0.000 2.222 38 E HA 0.567 4.917 4.350 0.001 0.000 0.267 38 E C -1.240 175.379 176.600 0.032 0.000 0.884 38 E CA -0.549 55.874 56.400 0.039 0.000 0.764 38 E CB 3.095 32.813 29.700 0.030 0.000 1.169 38 E HN 0.400 nan 8.360 nan 0.000 0.413 39 I N 2.754 123.337 120.570 0.022 0.000 2.362 39 I HA 0.219 4.389 4.170 0.001 0.000 0.289 39 I C -0.023 176.099 176.117 0.008 0.000 0.994 39 I CA -0.666 60.641 61.300 0.011 0.000 1.158 39 I CB 1.307 39.312 38.000 0.007 0.000 1.315 39 I HN 0.231 nan 8.210 nan 0.000 0.451 40 K N 5.310 125.714 120.400 0.005 0.000 2.339 40 K HA 0.298 4.618 4.320 0.001 0.000 0.286 40 K C -0.279 176.322 176.600 0.001 0.000 1.050 40 K CA -0.031 56.258 56.287 0.004 0.000 0.956 40 K CB 0.694 33.196 32.500 0.003 0.000 0.990 40 K HN 0.723 nan 8.250 nan 0.000 0.475 41 T N 1.125 115.680 114.554 0.002 0.000 2.916 41 T HA 0.338 4.689 4.350 0.001 0.000 0.292 41 T C -1.794 172.906 174.700 -0.000 0.000 1.055 41 T CA -1.803 60.297 62.100 0.000 0.000 1.009 41 T CB 1.461 70.330 68.868 0.001 0.000 1.118 41 T HN 0.339 nan 8.240 nan 0.000 0.497 42 P HA -0.203 nan 4.420 nan 0.000 0.220 42 P C 1.718 179.017 177.300 -0.000 0.000 1.155 42 P CA 2.267 65.367 63.100 -0.001 0.000 0.880 42 P CB -0.231 31.468 31.700 -0.002 0.000 0.790 43 Q N -0.608 119.192 119.800 -0.000 0.000 2.297 43 Q HA 0.411 4.751 4.340 0.001 0.000 0.203 43 Q C 1.545 177.546 176.000 0.001 0.000 0.931 43 Q CA 1.518 57.321 55.803 0.000 0.000 0.885 43 Q CB -0.104 28.634 28.738 0.000 0.000 0.991 43 Q HN 0.451 nan 8.270 nan 0.000 0.498 44 G N -0.471 108.330 108.800 0.002 0.000 2.637 44 G HA2 0.378 4.339 3.960 0.001 0.000 0.112 44 G HA3 0.378 4.339 3.960 0.001 0.000 0.112 44 G C -1.195 173.707 174.900 0.004 0.000 1.181 44 G CA -0.018 45.084 45.100 0.002 0.000 1.150 44 G HN 0.613 nan 8.290 nan 0.000 0.561 45 K N -0.400 120.003 120.400 0.005 0.000 2.203 45 K HA 0.819 5.139 4.320 0.001 0.000 0.251 45 K C -1.434 175.171 176.600 0.009 0.000 0.944 45 K CA -0.821 55.470 56.287 0.007 0.000 0.829 45 K CB 2.806 35.311 32.500 0.009 0.000 1.125 45 K HN 0.516 nan 8.250 nan 0.000 0.430 46 L N 2.510 123.739 121.223 0.011 0.000 2.296 46 L HA 0.363 4.703 4.340 0.001 0.000 0.286 46 L C -1.293 175.589 176.870 0.019 0.000 1.023 46 L CA -0.549 54.299 54.840 0.014 0.000 0.812 46 L CB 1.822 43.889 42.059 0.012 0.000 1.223 46 L HN 0.573 nan 8.230 nan 0.000 0.421 47 V N 6.380 126.307 119.914 0.021 0.000 2.439 47 V HA 0.442 4.563 4.120 0.001 0.000 0.282 47 V C 0.111 176.225 176.094 0.034 0.000 1.039 47 V CA -0.515 61.802 62.300 0.028 0.000 0.913 47 V CB 1.340 33.178 31.823 0.025 0.000 0.983 47 V HN 0.619 nan 8.190 nan 0.000 0.460 48 L N 3.925 125.174 121.223 0.043 0.000 2.346 48 L HA 0.638 4.978 4.340 0.001 0.000 0.274 48 L C -0.084 176.819 176.870 0.056 0.000 1.007 48 L CA -0.474 54.396 54.840 0.050 0.000 0.818 48 L CB 2.084 44.178 42.059 0.059 0.000 1.284 48 L HN 0.647 nan 8.230 nan 0.000 0.424 49 E N 1.800 122.032 120.200 0.055 0.000 2.151 49 E HA 0.374 4.725 4.350 0.001 0.000 0.275 49 E C -1.127 175.500 176.600 0.045 0.000 0.936 49 E CA -0.779 55.654 56.400 0.055 0.000 0.777 49 E CB 1.930 31.673 29.700 0.072 0.000 1.108 49 E HN 0.335 nan 8.360 nan 0.000 0.401 50 V N 3.859 123.794 119.914 0.036 0.000 2.585 50 V HA 0.122 4.243 4.120 0.001 0.000 0.296 50 V C 0.891 176.988 176.094 0.005 0.000 1.035 50 V CA 0.941 63.263 62.300 0.036 0.000 1.084 50 V CB 0.881 32.723 31.823 0.031 0.000 0.953 50 V HN 0.899 nan 8.190 nan 0.000 0.483 51 A N 3.737 126.569 122.820 0.019 0.000 2.074 51 A HA 0.374 4.694 4.320 0.001 0.000 0.200 51 A C 0.670 178.249 177.584 -0.009 0.000 1.335 51 A CA 0.153 52.187 52.037 -0.006 0.000 0.922 51 A CB 0.446 19.449 19.000 0.006 0.000 0.972 51 A HN 0.759 nan 8.150 nan 0.000 0.475 52 Q N -1.241 118.580 119.800 0.035 0.000 2.511 52 Q HA 0.398 4.739 4.340 0.001 0.000 0.289 52 Q C -1.639 174.472 176.000 0.186 0.000 1.021 52 Q CA -0.597 55.236 55.803 0.050 0.000 0.785 52 Q CB 1.973 30.741 28.738 0.050 0.000 1.472 52 Q HN 0.604 nan 8.270 nan 0.000 0.411 53 H N 1.830 120.895 119.070 -0.009 0.000 2.673 53 H HA 0.257 4.813 4.556 0.001 0.000 0.293 53 H C 0.545 175.878 175.328 0.008 0.000 1.065 53 H CA -0.249 55.797 56.048 -0.004 0.000 1.236 53 H CB 0.841 30.592 29.762 -0.019 0.000 1.389 53 H HN 0.440 nan 8.280 nan 0.000 0.481 54 L N 2.764 124.051 121.223 0.107 0.000 2.362 54 L HA 0.046 4.386 4.340 0.001 0.000 0.219 54 L C 1.219 178.122 176.870 0.054 0.000 1.134 54 L CA 0.763 55.645 54.840 0.070 0.000 0.807 54 L CB -0.224 41.870 42.059 0.059 0.000 0.927 54 L HN 0.864 nan 8.230 nan 0.000 0.447 55 G N -0.114 108.713 108.800 0.045 0.000 2.663 55 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 55 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 55 G C -0.000 174.918 174.900 0.030 0.000 1.288 55 G CA -0.427 44.691 45.100 0.030 0.000 0.836 55 G HN 0.284 nan 8.290 nan 0.000 0.584 56 E N 0.232 120.450 120.200 0.030 0.000 2.328 56 E HA -0.269 4.081 4.350 0.001 0.000 0.233 56 E C 0.933 177.583 176.600 0.082 0.000 1.219 56 E CA 0.800 57.234 56.400 0.056 0.000 0.717 56 E CB -0.919 28.819 29.700 0.063 0.000 1.210 56 E HN 1.042 nan 8.360 nan 0.000 0.381 57 N N -1.783 116.916 118.700 -0.001 0.000 2.741 57 N HA -0.156 4.584 4.740 0.001 0.000 0.251 57 N C -0.627 174.841 175.510 -0.070 0.000 1.112 57 N CA 1.897 54.891 53.050 -0.092 0.000 0.750 57 N CB -1.321 37.064 38.487 -0.169 0.000 1.119 57 N HN 0.274 nan 8.380 nan 0.000 0.561 58 T N 0.136 114.709 114.554 0.032 0.000 2.859 58 T HA 0.617 4.967 4.350 0.001 0.000 0.281 58 T C 0.647 175.378 174.700 0.051 0.000 1.005 58 T CA -0.665 61.485 62.100 0.085 0.000 1.025 58 T CB 2.633 71.573 68.868 0.119 0.000 0.977 58 T HN 0.150 nan 8.240 nan 0.000 0.458 59 V N 1.278 121.259 119.914 0.113 0.000 2.769 59 V HA 0.771 4.891 4.120 0.001 0.000 0.312 59 V C -0.323 175.843 176.094 0.120 0.000 1.058 59 V CA -1.333 61.042 62.300 0.124 0.000 0.952 59 V CB 1.693 33.608 31.823 0.153 0.000 1.019 59 V HN 0.863 nan 8.190 nan 0.000 0.445 60 R N 2.175 122.737 120.500 0.103 0.000 2.445 60 R HA 0.736 5.076 4.340 0.001 0.000 0.308 60 R C -0.247 176.095 176.300 0.069 0.000 0.961 60 R CA 0.224 56.369 56.100 0.075 0.000 0.862 60 R CB 1.680 32.014 30.300 0.056 0.000 1.144 60 R HN 1.160 nan 8.270 nan 0.000 0.447 61 T N 1.063 115.654 114.554 0.062 0.000 2.930 61 T HA 0.539 4.889 4.350 0.001 0.000 0.290 61 T C -0.018 174.706 174.700 0.040 0.000 1.052 61 T CA -0.840 61.293 62.100 0.056 0.000 1.017 61 T CB 1.272 70.183 68.868 0.072 0.000 1.137 61 T HN 0.435 nan 8.240 nan 0.000 0.511 62 I N 1.497 122.089 120.570 0.037 0.000 2.378 62 I HA 0.560 4.730 4.170 0.001 0.000 0.291 62 I C 0.512 176.648 176.117 0.031 0.000 0.992 62 I CA -1.200 60.117 61.300 0.028 0.000 1.154 62 I CB 1.611 39.626 38.000 0.025 0.000 1.315 62 I HN 0.981 nan 8.210 nan 0.000 0.448 63 A N 7.082 129.917 122.820 0.024 0.000 2.340 63 A HA 0.481 4.801 4.320 0.001 0.000 0.268 63 A C 0.595 178.193 177.584 0.022 0.000 1.100 63 A CA -0.346 51.706 52.037 0.023 0.000 0.803 63 A CB 0.653 19.663 19.000 0.018 0.000 1.043 63 A HN 0.744 nan 8.150 nan 0.000 0.488 64 M N 0.659 120.273 119.600 0.024 0.000 2.371 64 M HA 0.222 4.702 4.480 0.001 0.000 0.246 64 M C -0.194 176.117 176.300 0.018 0.000 1.103 64 M CA 0.423 55.736 55.300 0.023 0.000 1.010 64 M CB -0.824 31.791 32.600 0.025 0.000 1.457 64 M HN 0.780 nan 8.290 nan 0.000 0.486 65 D N -0.954 119.455 120.400 0.016 0.000 2.752 65 D HA 0.512 5.153 4.640 0.001 0.000 0.313 65 D C -0.430 175.875 176.300 0.010 0.000 1.225 65 D CA -0.193 53.814 54.000 0.012 0.000 0.976 65 D CB 1.349 42.155 40.800 0.011 0.000 1.443 65 D HN 0.107 nan 8.370 nan 0.000 0.515 66 G N -0.985 107.819 108.800 0.007 0.000 2.484 66 G HA2 0.314 4.275 3.960 0.001 0.000 0.235 66 G HA3 0.314 4.275 3.960 0.001 0.000 0.235 66 G C 0.860 175.763 174.900 0.005 0.000 1.282 66 G CA 0.636 45.739 45.100 0.005 0.000 0.857 66 G HN 0.415 nan 8.290 nan 0.000 0.571 67 T N -1.405 113.152 114.554 0.004 0.000 3.069 67 T HA 0.134 4.484 4.350 0.001 0.000 0.252 67 T C 0.830 175.531 174.700 0.001 0.000 1.053 67 T CA 0.162 62.264 62.100 0.004 0.000 0.964 67 T CB -0.102 68.769 68.868 0.004 0.000 1.005 67 T HN 0.702 nan 8.240 nan 0.000 0.532 68 E N 1.971 122.171 120.200 0.001 0.000 2.653 68 E HA 0.119 4.470 4.350 0.001 0.000 0.264 68 E C 1.232 177.832 176.600 -0.001 0.000 0.949 68 E CA 0.948 57.348 56.400 -0.000 0.000 0.953 68 E CB -0.420 29.279 29.700 -0.000 0.000 0.925 68 E HN 0.552 nan 8.360 nan 0.000 0.475 69 G N 2.647 111.446 108.800 -0.002 0.000 2.205 69 G HA2 -0.292 3.669 3.960 0.001 0.000 0.261 69 G HA3 -0.292 3.669 3.960 0.001 0.000 0.261 69 G C 0.343 175.241 174.900 -0.004 0.000 0.980 69 G CA 0.270 45.368 45.100 -0.003 0.000 0.632 69 G HN 0.485 nan 8.290 nan 0.000 0.533 70 L N 0.410 121.631 121.223 -0.003 0.000 2.452 70 L HA 0.556 4.896 4.340 0.001 0.000 0.267 70 L C 0.468 177.333 176.870 -0.008 0.000 1.188 70 L CA -0.390 54.447 54.840 -0.005 0.000 0.821 70 L CB 1.349 43.406 42.059 -0.003 0.000 1.102 70 L HN -0.011 nan 8.230 nan 0.000 0.470 71 V N 2.687 122.594 119.914 -0.011 0.000 2.638 71 V HA 0.328 4.448 4.120 0.001 0.000 0.306 71 V C -0.065 176.018 176.094 -0.018 0.000 1.052 71 V CA -0.856 61.436 62.300 -0.014 0.000 0.885 71 V CB 1.991 33.806 31.823 -0.014 0.000 0.999 71 V HN 0.678 nan 8.190 nan 0.000 0.424 72 R N 2.615 123.103 120.500 -0.019 0.000 2.504 72 R HA 0.359 4.699 4.340 0.001 0.000 0.291 72 R C 1.335 177.616 176.300 -0.030 0.000 0.974 72 R CA 1.266 57.351 56.100 -0.025 0.000 1.077 72 R CB 0.057 30.342 30.300 -0.025 0.000 0.926 72 R HN 1.200 nan 8.270 nan 0.000 0.407 73 G N 1.944 110.721 108.800 -0.038 0.000 2.238 73 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 73 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 73 G C 0.129 175.003 174.900 -0.043 0.000 0.996 73 G CA -0.151 44.924 45.100 -0.042 0.000 0.632 73 G HN 0.603 nan 8.290 nan 0.000 0.503 74 E N 1.423 121.599 120.200 -0.039 0.000 2.442 74 E HA 0.330 4.681 4.350 0.001 0.000 0.262 74 E C 0.555 177.124 176.600 -0.052 0.000 1.004 74 E CA 0.120 56.498 56.400 -0.036 0.000 0.928 74 E CB 0.317 30.000 29.700 -0.027 0.000 0.937 74 E HN 0.343 nan 8.360 nan 0.000 0.446 75 K N 1.650 122.023 120.400 -0.045 0.000 2.237 75 K HA 0.247 4.568 4.320 0.001 0.000 0.270 75 K C -1.032 175.537 176.600 -0.052 0.000 1.015 75 K CA -0.382 55.871 56.287 -0.057 0.000 0.949 75 K CB 1.090 33.568 32.500 -0.037 0.000 0.976 75 K HN 0.211 nan 8.250 nan 0.000 0.472 76 V N 3.989 123.857 119.914 -0.076 0.000 2.569 76 V HA 0.247 4.367 4.120 0.001 0.000 0.301 76 V C -0.827 175.282 176.094 0.026 0.000 1.044 76 V CA -1.059 61.221 62.300 -0.032 0.000 0.874 76 V CB 1.426 33.214 31.823 -0.059 0.000 1.002 76 V HN 0.583 nan 8.190 nan 0.000 0.424 77 L N 3.050 124.313 121.223 0.067 0.000 2.312 77 L HA 0.675 5.015 4.340 0.001 0.000 0.281 77 L C -0.065 176.891 176.870 0.142 0.000 1.070 77 L CA 0.280 55.179 54.840 0.100 0.000 0.805 77 L CB 1.333 43.426 42.059 0.058 0.000 1.174 77 L HN 0.735 nan 8.230 nan 0.000 0.434 78 D N 1.880 122.378 120.400 0.163 0.000 2.312 78 D HA 0.100 4.740 4.640 0.001 0.000 0.252 78 D C 1.064 177.395 176.300 0.052 0.000 1.150 78 D CA 0.421 54.480 54.000 0.098 0.000 0.870 78 D CB 1.482 42.303 40.800 0.034 0.000 1.153 78 D HN 0.743 nan 8.370 nan 0.000 0.457 79 T N 0.917 115.493 114.554 0.037 0.000 3.085 79 T HA 0.172 4.522 4.350 0.001 0.000 0.263 79 T C 1.533 176.238 174.700 0.009 0.000 1.127 79 T CA 0.524 62.638 62.100 0.022 0.000 1.103 79 T CB -0.195 68.684 68.868 0.020 0.000 0.921 79 T HN 0.660 nan 8.240 nan 0.000 0.510 80 G N -0.097 108.702 108.800 -0.000 0.000 2.179 80 G HA2 0.133 4.093 3.960 0.001 0.000 0.260 80 G HA3 0.133 4.093 3.960 0.001 0.000 0.260 80 G C 0.394 175.286 174.900 -0.014 0.000 0.977 80 G CA -0.278 44.814 45.100 -0.013 0.000 0.641 80 G HN 1.392 nan 8.290 nan 0.000 0.533 81 G N -1.451 107.346 108.800 -0.006 0.000 2.550 81 G HA2 0.721 4.681 3.960 0.001 0.000 0.293 81 G HA3 0.721 4.681 3.960 0.001 0.000 0.293 81 G C -3.274 171.633 174.900 0.012 0.000 1.402 81 G CA -0.255 44.844 45.100 -0.002 0.000 0.784 81 G HN 0.187 nan 8.290 nan 0.000 0.482 82 P HA 0.284 nan 4.420 nan 0.000 0.272 82 P C 0.337 177.669 177.300 0.053 0.000 1.240 82 P CA -0.412 62.730 63.100 0.070 0.000 0.791 82 P CB 0.566 32.343 31.700 0.129 0.000 0.978 83 I N 0.510 121.121 120.570 0.068 0.000 2.906 83 I HA -0.096 4.074 4.170 0.001 0.000 0.301 83 I C 0.699 176.811 176.117 -0.008 0.000 1.221 83 I CA 1.288 62.604 61.300 0.025 0.000 1.435 83 I CB -0.218 37.795 38.000 0.022 0.000 1.345 83 I HN 0.239 nan 8.210 nan 0.000 0.558 84 S N 5.505 121.192 115.700 -0.022 0.000 2.501 84 S HA 0.658 5.128 4.470 0.001 0.000 0.301 84 S C -0.478 174.086 174.600 -0.060 0.000 1.096 84 S CA -0.716 57.457 58.200 -0.044 0.000 1.063 84 S CB 1.983 65.159 63.200 -0.040 0.000 1.042 84 S HN 0.470 nan 8.310 nan 0.000 0.494 85 V N 1.013 120.875 119.914 -0.086 0.000 2.823 85 V HA 0.774 4.894 4.120 0.001 0.000 0.312 85 V C -2.865 173.149 176.094 -0.133 0.000 1.072 85 V CA -2.944 59.297 62.300 -0.099 0.000 0.937 85 V CB 1.656 33.416 31.823 -0.106 0.000 1.013 85 V HN 0.632 nan 8.190 nan 0.000 0.430 86 P HA 0.304 nan 4.420 nan 0.000 0.271 86 P C -0.317 176.850 177.300 -0.221 0.000 1.216 86 P CA 0.165 63.171 63.100 -0.156 0.000 0.771 86 P CB 1.430 33.067 31.700 -0.105 0.000 0.864 87 V N -0.318 119.391 119.914 -0.341 0.000 3.113 87 V HA 0.983 5.104 4.120 0.001 0.000 0.316 87 V C 0.249 176.079 176.094 -0.440 0.000 1.125 87 V CA -0.087 61.910 62.300 -0.506 0.000 1.026 87 V CB 0.976 32.281 31.823 -0.863 0.000 1.080 87 V HN 1.005 nan 8.190 nan 0.000 0.444 88 G N 1.609 110.232 108.800 -0.295 0.000 2.610 88 G HA2 -0.133 3.827 3.960 0.001 0.000 0.304 88 G HA3 -0.133 3.827 3.960 0.001 0.000 0.304 88 G C 0.166 175.208 174.900 0.236 0.000 1.309 88 G CA 0.117 45.312 45.100 0.158 0.000 0.906 88 G HN 0.925 nan 8.290 nan 0.000 0.521 89 R N 0.241 120.889 120.500 0.246 0.000 2.193 89 R HA -0.052 4.288 4.340 0.001 0.000 0.229 89 R C 2.027 178.339 176.300 0.019 0.000 1.110 89 R CA 1.528 57.666 56.100 0.063 0.000 0.988 89 R CB -0.140 30.155 30.300 -0.009 0.000 0.871 89 R HN 0.594 nan 8.270 nan 0.000 0.458 90 E N -0.243 119.976 120.200 0.032 0.000 2.418 90 E HA -0.093 4.258 4.350 0.001 0.000 0.197 90 E C 1.748 178.354 176.600 0.010 0.000 1.026 90 E CA 1.369 57.775 56.400 0.011 0.000 0.862 90 E CB -0.021 29.680 29.700 0.001 0.000 0.799 90 E HN 0.456 nan 8.360 nan 0.000 0.518 91 T N -1.327 113.239 114.554 0.021 0.000 3.043 91 T HA 0.047 4.398 4.350 0.001 0.000 0.263 91 T C 1.272 176.003 174.700 0.051 0.000 1.094 91 T CA -0.058 62.057 62.100 0.024 0.000 1.127 91 T CB -0.186 68.686 68.868 0.006 0.000 0.905 91 T HN -0.030 nan 8.240 nan 0.000 0.490 92 L N 2.012 123.260 121.223 0.043 0.000 2.499 92 L HA 0.406 4.746 4.340 0.001 0.000 0.273 92 L C 1.758 178.653 176.870 0.042 0.000 1.195 92 L CA 0.870 55.722 54.840 0.020 0.000 0.882 92 L CB 0.006 42.004 42.059 -0.103 0.000 1.133 92 L HN 0.577 nan 8.230 nan 0.000 0.483 93 G N 1.916 110.761 108.800 0.075 0.000 2.205 93 G HA2 -0.227 3.733 3.960 0.001 0.000 0.261 93 G HA3 -0.227 3.733 3.960 0.001 0.000 0.261 93 G C 0.432 175.416 174.900 0.139 0.000 0.980 93 G CA -0.264 44.898 45.100 0.104 0.000 0.632 93 G HN 0.485 nan 8.290 nan 0.000 0.533 94 R N -0.080 120.482 120.500 0.102 0.000 2.596 94 R HA 0.740 5.080 4.340 0.001 0.000 0.267 94 R C 0.375 176.720 176.300 0.074 0.000 1.026 94 R CA -0.875 55.276 56.100 0.085 0.000 1.087 94 R CB 0.690 31.018 30.300 0.047 0.000 1.132 94 R HN 0.318 nan 8.270 nan 0.000 0.531 95 I N 2.605 123.194 120.570 0.032 0.000 2.378 95 I HA 0.393 4.563 4.170 0.001 0.000 0.291 95 I C -0.297 175.836 176.117 0.026 0.000 0.992 95 I CA -0.719 60.596 61.300 0.024 0.000 1.154 95 I CB 1.236 39.207 38.000 -0.050 0.000 1.315 95 I HN 0.276 nan 8.210 nan 0.000 0.448 96 I N 5.734 126.324 120.570 0.032 0.000 2.545 96 I HA 0.344 4.514 4.170 0.001 0.000 0.292 96 I C -0.052 176.082 176.117 0.028 0.000 1.040 96 I CA -0.504 60.803 61.300 0.013 0.000 1.068 96 I CB 1.688 39.679 38.000 -0.014 0.000 1.251 96 I HN 0.601 nan 8.210 nan 0.000 0.424 97 N N 4.365 123.081 118.700 0.026 0.000 2.514 97 N HA 0.191 4.931 4.740 0.001 0.000 0.299 97 N C 0.784 176.298 175.510 0.006 0.000 1.292 97 N CA -0.684 52.387 53.050 0.035 0.000 0.963 97 N CB 0.086 38.596 38.487 0.037 0.000 1.124 97 N HN 0.366 nan 8.380 nan 0.000 0.580 98 V N -0.574 119.345 119.914 0.009 0.000 2.515 98 V HA -0.065 4.055 4.120 0.001 0.000 0.250 98 V C 1.549 177.633 176.094 -0.017 0.000 1.058 98 V CA 1.647 63.943 62.300 -0.007 0.000 1.064 98 V CB -0.869 30.958 31.823 0.006 0.000 0.675 98 V HN 0.635 nan 8.190 nan 0.000 0.461 99 I N -2.528 118.037 120.570 -0.008 0.000 3.875 99 I HA 0.570 4.741 4.170 0.001 0.000 0.329 99 I C 1.466 177.571 176.117 -0.019 0.000 1.295 99 I CA 0.682 61.976 61.300 -0.010 0.000 1.129 99 I CB 0.037 38.038 38.000 0.001 0.000 1.008 99 I HN 0.288 nan 8.210 nan 0.000 0.413 100 G N 1.063 109.848 108.800 -0.025 0.000 2.254 100 G HA2 -0.229 3.731 3.960 0.001 0.000 0.225 100 G HA3 -0.229 3.731 3.960 0.001 0.000 0.225 100 G C 0.028 174.913 174.900 -0.025 0.000 1.003 100 G CA -0.144 44.935 45.100 -0.034 0.000 0.622 100 G HN 0.560 nan 8.290 nan 0.000 0.507 101 E N 2.800 122.992 120.200 -0.014 0.000 2.383 101 E HA 0.375 4.725 4.350 0.001 0.000 0.264 101 E C -2.233 174.364 176.600 -0.005 0.000 1.050 101 E CA -1.378 55.017 56.400 -0.009 0.000 0.896 101 E CB 0.919 30.617 29.700 -0.004 0.000 0.982 101 E HN 0.245 nan 8.360 nan 0.000 0.424 102 P HA 0.003 nan 4.420 nan 0.000 0.271 102 P C 0.107 177.405 177.300 -0.002 0.000 1.216 102 P CA 0.393 63.492 63.100 -0.002 0.000 0.771 102 P CB 0.330 32.030 31.700 -0.000 0.000 0.864 103 I N -0.206 120.361 120.570 -0.004 0.000 3.927 103 I HA 0.240 4.410 4.170 0.001 0.000 0.332 103 I C 0.150 176.241 176.117 -0.042 0.000 1.485 103 I CA -0.185 61.106 61.300 -0.014 0.000 1.131 103 I CB -0.112 37.887 38.000 -0.002 0.000 1.092 103 I HN 0.037 nan 8.210 nan 0.000 0.410 104 D N 0.601 120.978 120.400 -0.039 0.000 2.462 104 D HA 0.021 4.662 4.640 0.001 0.000 0.221 104 D C 0.233 176.530 176.300 -0.004 0.000 1.173 104 D CA -0.268 53.701 54.000 -0.052 0.000 0.831 104 D CB -0.266 40.495 40.800 -0.065 0.000 1.001 104 D HN 0.503 nan 8.370 nan 0.000 0.499 105 E N 0.335 120.534 120.200 -0.002 0.000 2.328 105 E HA -0.258 4.092 4.350 0.001 0.000 0.233 105 E C 0.062 176.673 176.600 0.019 0.000 1.219 105 E CA 0.301 56.705 56.400 0.008 0.000 0.717 105 E CB -1.222 28.483 29.700 0.008 0.000 1.210 105 E HN 0.460 nan 8.360 nan 0.000 0.381 106 R N -0.046 120.466 120.500 0.021 0.000 2.662 106 R HA 0.306 4.647 4.340 0.001 0.000 0.396 106 R C 0.774 177.086 176.300 0.020 0.000 1.096 106 R CA 0.237 56.354 56.100 0.028 0.000 1.081 106 R CB 1.243 31.569 30.300 0.045 0.000 1.382 106 R HN 0.328 nan 8.270 nan 0.000 0.580 107 G N 2.146 110.954 108.800 0.013 0.000 2.698 107 G HA2 -0.220 3.740 3.960 0.001 0.000 0.225 107 G HA3 -0.220 3.740 3.960 0.001 0.000 0.225 107 G C -2.640 172.263 174.900 0.006 0.000 1.345 107 G CA -1.202 43.903 45.100 0.009 0.000 0.871 107 G HN 0.040 nan 8.290 nan 0.000 0.540 108 P HA 0.465 nan 4.420 nan 0.000 0.272 108 P C 0.132 177.431 177.300 -0.003 0.000 1.240 108 P CA -0.362 62.737 63.100 -0.002 0.000 0.791 108 P CB 0.368 32.066 31.700 -0.004 0.000 0.978 109 I N 1.350 121.914 120.570 -0.010 0.000 2.268 109 I HA 0.137 4.308 4.170 0.001 0.000 0.290 109 I C 0.612 176.717 176.117 -0.020 0.000 1.125 109 I CA -0.165 61.127 61.300 -0.013 0.000 1.236 109 I CB -0.211 37.776 38.000 -0.022 0.000 1.469 109 I HN 0.061 nan 8.210 nan 0.000 0.512 110 K N 4.838 125.231 120.400 -0.012 0.000 2.081 110 K HA 0.100 4.420 4.320 0.001 0.000 0.230 110 K C 0.247 176.837 176.600 -0.016 0.000 1.199 110 K CA -0.156 56.124 56.287 -0.012 0.000 1.130 110 K CB -0.078 32.420 32.500 -0.003 0.000 1.386 110 K HN 0.612 nan 8.250 nan 0.000 0.280 111 S N 0.270 115.951 115.700 -0.032 0.000 2.549 111 S HA 0.265 4.735 4.470 0.001 0.000 0.297 111 S C 0.803 175.376 174.600 -0.046 0.000 1.115 111 S CA -1.022 57.151 58.200 -0.045 0.000 1.059 111 S CB 1.850 64.999 63.200 -0.085 0.000 1.046 111 S HN 0.363 nan 8.310 nan 0.000 0.506 112 K N 0.998 121.377 120.400 -0.035 0.000 2.283 112 K HA 0.150 4.471 4.320 0.001 0.000 0.202 112 K C 0.094 176.662 176.600 -0.053 0.000 1.048 112 K CA 0.834 57.105 56.287 -0.027 0.000 0.948 112 K CB -0.397 32.104 32.500 0.002 0.000 0.742 112 K HN 0.515 nan 8.250 nan 0.000 0.458 113 L N 0.560 121.719 121.223 -0.106 0.000 2.409 113 L HA 0.403 4.744 4.340 0.001 0.000 0.262 113 L C -0.510 176.251 176.870 -0.181 0.000 0.992 113 L CA -0.917 53.837 54.840 -0.144 0.000 0.817 113 L CB 2.450 44.395 42.059 -0.189 0.000 1.350 113 L HN -0.078 nan 8.230 nan 0.000 0.411 114 R N 1.569 121.983 120.500 -0.144 0.000 2.711 114 R HA 0.644 4.984 4.340 0.001 0.000 0.284 114 R C -1.130 175.084 176.300 -0.144 0.000 0.968 114 R CA -0.911 55.102 56.100 -0.144 0.000 0.924 114 R CB 2.750 32.995 30.300 -0.093 0.000 1.162 114 R HN 0.468 nan 8.270 nan 0.000 0.465 115 K N 1.822 122.130 120.400 -0.153 0.000 2.435 115 K HA 0.449 4.770 4.320 0.001 0.000 0.251 115 K C -2.619 173.929 176.600 -0.086 0.000 0.954 115 K CA -2.135 54.080 56.287 -0.119 0.000 0.820 115 K CB 2.369 34.781 32.500 -0.146 0.000 1.292 115 K HN 0.265 nan 8.250 nan 0.000 0.436 116 P HA 0.075 nan 4.420 nan 0.000 0.271 116 P C 0.435 177.698 177.300 -0.062 0.000 1.216 116 P CA -0.152 62.929 63.100 -0.032 0.000 0.776 116 P CB 0.306 32.011 31.700 0.007 0.000 0.881 117 I N -1.204 119.307 120.570 -0.099 0.000 3.291 117 I HA 0.068 4.238 4.170 0.001 0.000 0.279 117 I C 0.140 176.062 176.117 -0.325 0.000 1.294 117 I CA 0.740 61.913 61.300 -0.213 0.000 1.428 117 I CB -0.471 37.374 38.000 -0.258 0.000 1.070 117 I HN 0.206 nan 8.210 nan 0.000 0.478 118 H N 2.455 121.507 119.070 -0.031 0.000 2.511 118 H HA 0.804 5.360 4.556 0.001 0.000 0.328 118 H C -0.581 174.732 175.328 -0.025 0.000 1.044 118 H CA -0.304 55.729 56.048 -0.026 0.000 1.212 118 H CB 1.698 31.449 29.762 -0.018 0.000 1.428 118 H HN 0.402 nan 8.280 nan 0.000 0.483 119 A N 3.304 126.170 122.820 0.077 0.000 2.606 119 A HA 0.336 4.656 4.320 0.001 0.000 0.293 119 A C -0.900 176.703 177.584 0.031 0.000 1.082 119 A CA -0.961 51.099 52.037 0.039 0.000 0.685 119 A CB 1.460 20.465 19.000 0.010 0.000 1.284 119 A HN 0.514 nan 8.150 nan 0.000 0.408 120 D N 2.005 122.419 120.400 0.023 0.000 2.372 120 D HA 0.427 5.067 4.640 0.001 0.000 0.243 120 D C -2.033 174.276 176.300 0.014 0.000 1.121 120 D CA -0.390 53.622 54.000 0.020 0.000 0.898 120 D CB 0.388 41.199 40.800 0.018 0.000 1.202 120 D HN 0.267 nan 8.370 nan 0.000 0.428 121 P HA 0.219 nan 4.420 nan 0.000 0.272 121 P C -2.514 174.797 177.300 0.019 0.000 1.240 121 P CA -1.104 62.004 63.100 0.014 0.000 0.791 121 P CB -0.545 31.169 31.700 0.023 0.000 0.978 122 P HA 0.030 nan 4.420 nan 0.000 0.268 122 P C 0.224 177.544 177.300 0.033 0.000 1.205 122 P CA 0.196 63.304 63.100 0.014 0.000 0.771 122 P CB 0.134 31.835 31.700 0.001 0.000 0.858 123 S N 2.315 118.037 115.700 0.037 0.000 2.589 123 S HA 0.059 4.529 4.470 0.001 0.000 0.265 123 S C 1.017 175.674 174.600 0.094 0.000 1.342 123 S CA -0.411 57.833 58.200 0.073 0.000 1.005 123 S CB -0.090 63.149 63.200 0.066 0.000 0.909 123 S HN 0.417 nan 8.310 nan 0.000 0.555 124 F N 1.678 121.628 119.950 0.001 0.000 2.154 124 F HA -0.112 4.415 4.527 0.001 0.000 0.301 124 F C 2.308 178.107 175.800 -0.001 0.000 1.087 124 F CA 1.735 59.735 58.000 -0.000 0.000 1.274 124 F CB -0.947 38.052 39.000 -0.001 0.000 1.009 124 F HN 0.722 nan 8.300 nan 0.000 0.485 125 A N -0.265 122.521 122.820 -0.057 0.000 2.014 125 A HA -0.112 4.208 4.320 0.001 0.000 0.218 125 A C 1.988 179.484 177.584 -0.146 0.000 1.163 125 A CA 1.376 53.323 52.037 -0.150 0.000 0.652 125 A CB -0.729 18.265 19.000 -0.011 0.000 0.808 125 A HN 0.562 nan 8.150 nan 0.000 0.449 126 E N 0.314 120.460 120.200 -0.091 0.000 2.482 126 E HA -0.043 4.308 4.350 0.001 0.000 0.196 126 E C -0.004 176.539 176.600 -0.095 0.000 1.047 126 E CA -0.098 56.260 56.400 -0.071 0.000 0.869 126 E CB 0.062 29.742 29.700 -0.032 0.000 0.836 126 E HN 0.540 nan 8.360 nan 0.000 0.520 127 Q N 0.549 120.256 119.800 -0.155 0.000 2.361 127 Q HA 0.091 4.432 4.340 0.001 0.000 0.276 127 Q C -0.262 175.658 176.000 -0.133 0.000 1.022 127 Q CA 0.389 56.102 55.803 -0.150 0.000 0.898 127 Q CB 1.528 30.131 28.738 -0.225 0.000 1.246 127 Q HN -0.061 nan 8.270 nan 0.000 0.410 128 S N 1.425 117.073 115.700 -0.087 0.000 2.746 128 S HA 0.339 4.809 4.470 0.001 0.000 0.273 128 S C -0.790 173.780 174.600 -0.050 0.000 1.172 128 S CA -0.648 57.511 58.200 -0.069 0.000 1.116 128 S CB 0.422 63.591 63.200 -0.051 0.000 1.057 128 S HN 0.558 nan 8.310 nan 0.000 0.483 129 T N 1.990 116.514 114.554 -0.050 0.000 2.799 129 T HA 0.744 5.095 4.350 0.001 0.000 0.286 129 T C 0.206 174.892 174.700 -0.024 0.000 0.973 129 T CA -0.496 61.585 62.100 -0.032 0.000 1.035 129 T CB 1.213 70.063 68.868 -0.031 0.000 0.932 129 T HN 0.708 nan 8.240 nan 0.000 0.469 130 S N 1.427 117.119 115.700 -0.014 0.000 2.709 130 S HA 0.846 5.316 4.470 0.001 0.000 0.302 130 S C -0.543 174.057 174.600 -0.000 0.000 1.127 130 S CA -0.937 57.258 58.200 -0.008 0.000 0.905 130 S CB 1.608 64.806 63.200 -0.004 0.000 1.151 130 S HN 1.487 nan 8.310 nan 0.000 0.510 131 A N 0.619 123.441 122.820 0.003 0.000 2.943 131 A HA 0.683 5.004 4.320 0.001 0.000 0.327 131 A C -0.555 177.038 177.584 0.015 0.000 1.141 131 A CA -0.413 51.630 52.037 0.009 0.000 0.773 131 A CB 0.069 19.071 19.000 0.004 0.000 1.143 131 A HN 0.748 nan 8.150 nan 0.000 0.463 132 E N 1.179 121.393 120.200 0.023 0.000 2.272 132 E HA 0.513 4.863 4.350 0.001 0.000 0.269 132 E C -1.401 175.226 176.600 0.046 0.000 0.877 132 E CA -0.617 55.800 56.400 0.030 0.000 0.755 132 E CB 2.226 31.941 29.700 0.025 0.000 1.192 132 E HN 0.687 nan 8.360 nan 0.000 0.422 133 I N 4.454 125.055 120.570 0.052 0.000 2.353 133 I HA 0.275 4.446 4.170 0.001 0.000 0.293 133 I C -1.224 174.940 176.117 0.080 0.000 0.992 133 I CA -0.789 60.553 61.300 0.069 0.000 1.268 133 I CB 0.661 38.700 38.000 0.065 0.000 1.387 133 I HN 0.414 nan 8.210 nan 0.000 0.478 134 L N 7.860 129.146 121.223 0.105 0.000 2.272 134 L HA 0.397 4.737 4.340 0.001 0.000 0.284 134 L C -0.030 176.898 176.870 0.097 0.000 1.045 134 L CA -0.035 54.874 54.840 0.115 0.000 0.842 134 L CB 0.831 42.980 42.059 0.150 0.000 1.224 134 L HN 0.670 nan 8.230 nan 0.000 0.430 135 E N 2.157 122.398 120.200 0.069 0.000 2.406 135 E HA -0.008 4.342 4.350 0.001 0.000 0.258 135 E C 0.563 177.181 176.600 0.029 0.000 1.043 135 E CA 0.589 57.013 56.400 0.040 0.000 0.929 135 E CB 0.758 30.481 29.700 0.038 0.000 0.969 135 E HN 0.810 nan 8.360 nan 0.000 0.462 136 T N 1.283 115.827 114.554 -0.017 0.000 3.051 136 T HA 0.202 4.552 4.350 0.001 0.000 0.255 136 T C 1.508 176.184 174.700 -0.039 0.000 1.085 136 T CA 0.312 62.393 62.100 -0.032 0.000 1.109 136 T CB 0.210 69.004 68.868 -0.124 0.000 0.921 136 T HN 0.702 nan 8.240 nan 0.000 0.488 137 G N 1.704 110.488 108.800 -0.027 0.000 2.184 137 G HA2 -0.222 3.738 3.960 0.001 0.000 0.264 137 G HA3 -0.222 3.738 3.960 0.001 0.000 0.264 137 G C 0.051 174.949 174.900 -0.004 0.000 0.975 137 G CA 0.194 45.286 45.100 -0.015 0.000 0.642 137 G HN 0.668 nan 8.290 nan 0.000 0.536 138 I N 0.843 121.401 120.570 -0.020 0.000 2.304 138 I HA 0.249 4.420 4.170 0.001 0.000 0.291 138 I C 1.590 177.716 176.117 0.015 0.000 1.018 138 I CA -0.733 60.589 61.300 0.038 0.000 1.260 138 I CB 1.325 39.347 38.000 0.036 0.000 1.390 138 I HN -0.021 nan 8.210 nan 0.000 0.475 139 K N 3.581 123.996 120.400 0.025 0.000 2.020 139 K HA -0.176 4.144 4.320 0.001 0.000 0.212 139 K C 1.803 178.356 176.600 -0.078 0.000 1.050 139 K CA 1.296 57.568 56.287 -0.025 0.000 0.929 139 K CB -0.065 32.430 32.500 -0.008 0.000 0.714 139 K HN 0.554 nan 8.250 nan 0.000 0.443 140 V N 0.869 120.766 119.914 -0.028 0.000 2.515 140 V HA -0.177 3.943 4.120 0.001 0.000 0.250 140 V C 1.963 178.035 176.094 -0.036 0.000 1.058 140 V CA 1.385 63.652 62.300 -0.055 0.000 1.064 140 V CB 0.095 31.936 31.823 0.031 0.000 0.675 140 V HN 0.113 nan 8.190 nan 0.000 0.461 141 V N 0.004 119.915 119.914 -0.005 0.000 2.302 141 V HA -0.143 3.978 4.120 0.001 0.000 0.243 141 V C 2.323 178.358 176.094 -0.099 0.000 1.036 141 V CA 2.198 64.455 62.300 -0.072 0.000 1.020 141 V CB -0.745 30.949 31.823 -0.215 0.000 0.657 141 V HN 0.514 nan 8.190 nan 0.000 0.453 142 D N -0.081 120.265 120.400 -0.090 0.000 2.182 142 D HA -0.143 4.497 4.640 0.001 0.000 0.201 142 D C 1.843 178.171 176.300 0.048 0.000 0.986 142 D CA 1.136 55.120 54.000 -0.028 0.000 0.847 142 D CB -0.084 40.697 40.800 -0.032 0.000 0.942 142 D HN 0.351 nan 8.370 nan 0.000 0.467 143 L N -0.389 120.813 121.223 -0.035 0.000 2.084 143 L HA 0.048 4.388 4.340 0.001 0.000 0.202 143 L C 1.875 178.797 176.870 0.087 0.000 1.074 143 L CA 1.359 56.177 54.840 -0.036 0.000 0.757 143 L CB -0.115 41.758 42.059 -0.310 0.000 0.918 143 L HN -0.046 nan 8.230 nan 0.000 0.444 144 L N -0.974 120.232 121.223 -0.028 0.000 2.470 144 L HA 0.399 4.739 4.340 0.001 0.000 0.219 144 L C 0.752 177.617 176.870 -0.009 0.000 1.071 144 L CA 0.445 55.261 54.840 -0.040 0.000 0.850 144 L CB -0.113 41.898 42.059 -0.079 0.000 1.040 144 L HN 0.221 nan 8.230 nan 0.000 0.475 145 A N 0.722 123.553 122.820 0.020 0.000 3.409 145 A HA 0.460 4.780 4.320 0.001 0.000 0.282 145 A C -2.706 174.938 177.584 0.100 0.000 1.064 145 A CA -0.796 51.281 52.037 0.067 0.000 0.889 145 A CB -0.134 18.925 19.000 0.098 0.000 1.251 145 A HN -0.158 nan 8.150 nan 0.000 0.538 146 P HA 0.228 nan 4.420 nan 0.000 0.276 146 P C -0.706 176.729 177.300 0.224 0.000 1.230 146 P CA 0.232 63.375 63.100 0.071 0.000 0.776 146 P CB 0.529 32.268 31.700 0.065 0.000 0.888 147 Y N 1.018 121.359 120.300 0.068 0.000 2.379 147 Y HA 0.344 4.895 4.550 0.001 0.000 0.337 147 Y C 1.208 177.133 175.900 0.040 0.000 1.238 147 Y CA -1.268 56.865 58.100 0.055 0.000 1.405 147 Y CB -0.241 38.259 38.460 0.066 0.000 1.310 147 Y HN 0.397 nan 8.280 nan 0.000 0.569 148 A N 3.418 126.347 122.820 0.182 0.000 2.317 148 A HA 0.533 4.853 4.320 0.001 0.000 0.327 148 A C 0.098 177.726 177.584 0.072 0.000 1.178 148 A CA -1.015 51.081 52.037 0.099 0.000 0.817 148 A CB 0.595 19.630 19.000 0.057 0.000 1.189 148 A HN 0.797 nan 8.150 nan 0.000 0.489 149 R N 1.280 121.821 120.500 0.069 0.000 2.489 149 R HA 0.360 4.700 4.340 0.001 0.000 0.287 149 R C 1.244 177.561 176.300 0.029 0.000 1.053 149 R CA 1.585 57.720 56.100 0.058 0.000 1.036 149 R CB 0.065 30.407 30.300 0.071 0.000 0.966 149 R HN 1.747 nan 8.270 nan 0.000 0.432 150 G N 2.441 111.247 108.800 0.010 0.000 2.205 150 G HA2 -0.260 3.700 3.960 0.001 0.000 0.261 150 G HA3 -0.260 3.700 3.960 0.001 0.000 0.261 150 G C 0.322 175.207 174.900 -0.026 0.000 0.980 150 G CA 0.064 45.159 45.100 -0.008 0.000 0.632 150 G HN 0.930 nan 8.290 nan 0.000 0.533 151 G N -0.397 108.387 108.800 -0.028 0.000 2.504 151 G HA2 0.560 4.520 3.960 0.001 0.000 0.288 151 G HA3 0.560 4.520 3.960 0.001 0.000 0.288 151 G C -0.176 174.674 174.900 -0.084 0.000 1.182 151 G CA -0.558 44.519 45.100 -0.038 0.000 0.894 151 G HN 0.361 nan 8.290 nan 0.000 0.521 152 K N 0.420 120.773 120.400 -0.078 0.000 2.263 152 K HA 0.421 4.741 4.320 0.001 0.000 0.272 152 K C -0.865 175.652 176.600 -0.138 0.000 1.033 152 K CA -0.196 56.027 56.287 -0.106 0.000 0.884 152 K CB 1.748 34.215 32.500 -0.054 0.000 1.107 152 K HN 0.265 nan 8.250 nan 0.000 0.460 153 I N 1.353 121.786 120.570 -0.228 0.000 2.474 153 I HA 0.365 4.535 4.170 0.001 0.000 0.294 153 I C 0.315 176.288 176.117 -0.239 0.000 1.005 153 I CA -0.591 60.517 61.300 -0.319 0.000 1.113 153 I CB 2.201 39.800 38.000 -0.667 0.000 1.289 153 I HN 0.602 nan 8.210 nan 0.000 0.436 154 G N 6.092 114.799 108.800 -0.154 0.000 2.495 154 G HA2 0.749 4.710 3.960 0.001 0.000 0.318 154 G HA3 0.749 4.710 3.960 0.001 0.000 0.318 154 G C -1.048 173.793 174.900 -0.098 0.000 1.257 154 G CA -0.541 44.461 45.100 -0.163 0.000 0.962 154 G HN 0.464 nan 8.290 nan 0.000 0.483 155 L N 2.119 123.223 121.223 -0.198 0.000 2.384 155 L HA 0.381 4.722 4.340 0.001 0.000 0.261 155 L C -0.787 175.989 176.870 -0.157 0.000 1.024 155 L CA -0.572 54.185 54.840 -0.139 0.000 0.899 155 L CB 0.605 42.569 42.059 -0.158 0.000 1.243 155 L HN 0.310 nan 8.230 nan 0.000 0.449 156 F N 1.279 121.133 119.950 -0.161 0.000 2.418 156 F HA 0.691 5.218 4.527 0.001 0.000 0.341 156 F C 1.142 176.891 175.800 -0.085 0.000 1.120 156 F CA -0.048 57.866 58.000 -0.144 0.000 1.232 156 F CB 1.558 40.455 39.000 -0.172 0.000 1.175 156 F HN 0.411 nan 8.300 nan 0.000 0.569 157 G N 0.572 109.410 108.800 0.063 0.000 2.402 157 G HA2 0.460 4.420 3.960 0.001 0.000 0.301 157 G HA3 0.460 4.420 3.960 0.001 0.000 0.301 157 G C -0.698 174.164 174.900 -0.063 0.000 1.615 157 G CA -0.416 44.702 45.100 0.029 0.000 0.889 157 G HN 0.922 nan 8.290 nan 0.000 0.647 158 G N -0.392 108.362 108.800 -0.077 0.000 2.570 158 G HA2 0.669 4.629 3.960 0.001 0.000 0.276 158 G HA3 0.669 4.629 3.960 0.001 0.000 0.276 158 G C 0.847 175.780 174.900 0.056 0.000 1.346 158 G CA 0.436 45.447 45.100 -0.148 0.000 1.034 158 G HN 1.859 nan 8.290 nan 0.000 0.512 159 A N -1.256 121.668 122.820 0.173 0.000 2.522 159 A HA 0.510 4.830 4.320 0.001 0.000 0.256 159 A C 1.487 179.150 177.584 0.133 0.000 1.086 159 A CA 1.083 53.264 52.037 0.241 0.000 0.763 159 A CB -0.739 18.408 19.000 0.245 0.000 1.024 159 A HN 2.552 nan 8.150 nan 0.000 0.502 160 G N 1.002 109.875 108.800 0.122 0.000 2.147 160 G HA2 -0.176 3.784 3.960 0.001 0.000 0.244 160 G HA3 -0.176 3.784 3.960 0.001 0.000 0.244 160 G C 0.697 175.660 174.900 0.105 0.000 1.005 160 G CA 0.799 45.952 45.100 0.087 0.000 0.713 160 G HN 2.064 nan 8.290 nan 0.000 0.515 161 V N -3.749 116.241 119.914 0.127 0.000 2.992 161 V HA 0.654 4.775 4.120 0.001 0.000 0.250 161 V C 1.791 178.026 176.094 0.236 0.000 1.090 161 V CA 1.573 63.971 62.300 0.165 0.000 1.101 161 V CB 0.386 32.278 31.823 0.115 0.000 0.743 161 V HN 2.024 nan 8.190 nan 0.000 0.468 162 G N -0.108 108.809 108.800 0.196 0.000 2.731 162 G HA2 -0.101 3.860 3.960 0.001 0.000 0.219 162 G HA3 -0.101 3.860 3.960 0.001 0.000 0.219 162 G C 0.566 175.628 174.900 0.271 0.000 0.989 162 G CA 0.133 45.374 45.100 0.235 0.000 0.871 162 G HN 0.359 nan 8.290 nan 0.000 0.591 163 K N 0.033 120.554 120.400 0.201 0.000 2.020 163 K HA -0.111 4.210 4.320 0.001 0.000 0.212 163 K C 2.466 179.215 176.600 0.249 0.000 1.050 163 K CA 2.028 58.429 56.287 0.191 0.000 0.929 163 K CB -0.285 32.292 32.500 0.129 0.000 0.714 163 K HN 0.235 nan 8.250 nan 0.000 0.443 164 T N 0.937 115.619 114.554 0.213 0.000 2.777 164 T HA -0.079 4.272 4.350 0.001 0.000 0.266 164 T C 1.951 176.785 174.700 0.223 0.000 1.040 164 T CA 1.040 63.268 62.100 0.214 0.000 1.141 164 T CB -0.053 68.920 68.868 0.175 0.000 0.868 164 T HN -0.044 nan 8.240 nan 0.000 0.444 165 V N 0.761 120.810 119.914 0.224 0.000 2.759 165 V HA -0.055 4.065 4.120 0.001 0.000 0.256 165 V C 1.834 178.089 176.094 0.269 0.000 1.080 165 V CA 1.204 63.646 62.300 0.237 0.000 1.101 165 V CB -0.642 31.314 31.823 0.223 0.000 0.698 165 V HN 0.404 nan 8.190 nan 0.000 0.477 166 F N 0.189 120.260 119.950 0.202 0.000 2.074 166 F HA -0.052 4.476 4.527 0.001 0.000 0.290 166 F C 2.119 177.979 175.800 0.101 0.000 1.118 166 F CA 1.683 59.800 58.000 0.194 0.000 1.199 166 F CB -0.224 38.928 39.000 0.252 0.000 1.012 166 F HN 0.010 nan 8.300 nan 0.000 0.472 167 I N 0.158 121.006 120.570 0.463 0.000 2.315 167 I HA -0.375 3.795 4.170 0.001 0.000 0.251 167 I C 2.206 178.415 176.117 0.153 0.000 1.125 167 I CA 1.535 63.057 61.300 0.370 0.000 1.392 167 I CB -0.289 37.935 38.000 0.373 0.000 1.065 167 I HN 0.369 nan 8.210 nan 0.000 0.424 168 Q N -0.091 119.763 119.800 0.090 0.000 2.079 168 Q HA -0.288 4.052 4.340 0.001 0.000 0.200 168 Q C 2.039 177.965 176.000 -0.124 0.000 0.974 168 Q CA 1.805 57.591 55.803 -0.029 0.000 0.840 168 Q CB -0.091 28.654 28.738 0.012 0.000 0.898 168 Q HN 0.426 nan 8.270 nan 0.000 0.430 169 E N 1.006 121.078 120.200 -0.212 0.000 2.085 169 E HA -0.184 4.166 4.350 0.001 0.000 0.194 169 E C 1.782 178.189 176.600 -0.322 0.000 0.994 169 E CA 1.164 57.303 56.400 -0.435 0.000 0.801 169 E CB -0.266 28.776 29.700 -1.096 0.000 0.743 169 E HN 0.299 nan 8.360 nan 0.000 0.453 170 L N -0.082 121.024 121.223 -0.195 0.000 2.046 170 L HA -0.168 4.173 4.340 0.001 0.000 0.208 170 L C 2.542 179.418 176.870 0.010 0.000 1.077 170 L CA 1.114 55.962 54.840 0.014 0.000 0.747 170 L CB -0.481 41.759 42.059 0.302 0.000 0.896 170 L HN 0.199 nan 8.230 nan 0.000 0.432 171 I N 0.136 120.608 120.570 -0.163 0.000 2.127 171 I HA -0.333 3.837 4.170 0.001 0.000 0.241 171 I C 2.402 178.434 176.117 -0.142 0.000 1.075 171 I CA 1.672 62.789 61.300 -0.304 0.000 1.334 171 I CB -0.428 37.302 38.000 -0.451 0.000 1.040 171 I HN 0.331 nan 8.210 nan 0.000 0.405 172 N N 1.041 119.659 118.700 -0.137 0.000 2.094 172 N HA -0.219 4.521 4.740 0.001 0.000 0.191 172 N C 1.531 176.998 175.510 -0.072 0.000 1.023 172 N CA 1.832 54.819 53.050 -0.104 0.000 0.857 172 N CB -0.107 38.307 38.487 -0.122 0.000 1.013 172 N HN 0.261 nan 8.380 nan 0.000 0.426 173 N N -0.475 118.180 118.700 -0.076 0.000 2.251 173 N HA 0.010 4.750 4.740 0.001 0.000 0.181 173 N C 1.276 176.794 175.510 0.013 0.000 1.019 173 N CA 0.834 53.858 53.050 -0.043 0.000 0.862 173 N CB -0.012 38.432 38.487 -0.072 0.000 0.992 173 N HN 0.293 nan 8.380 nan 0.000 0.429 174 I N 0.757 121.357 120.570 0.051 0.000 2.681 174 I HA 0.168 4.339 4.170 0.001 0.000 0.247 174 I C 2.325 178.511 176.117 0.115 0.000 1.091 174 I CA 0.363 61.726 61.300 0.105 0.000 1.442 174 I CB -1.757 36.334 38.000 0.151 0.000 1.219 174 I HN -0.078 nan 8.210 nan 0.000 0.451 175 A N 2.064 124.945 122.820 0.102 0.000 1.969 175 A HA -0.309 4.012 4.320 0.001 0.000 0.223 175 A C 2.283 179.929 177.584 0.104 0.000 1.218 175 A CA 2.839 54.938 52.037 0.103 0.000 0.667 175 A CB -0.810 18.208 19.000 0.029 0.000 0.826 175 A HN 0.564 nan 8.150 nan 0.000 0.472 176 K N -0.842 119.597 120.400 0.065 0.000 2.098 176 K HA 0.296 4.616 4.320 0.001 0.000 0.203 176 K C 1.997 178.631 176.600 0.057 0.000 1.051 176 K CA 0.886 57.203 56.287 0.051 0.000 0.957 176 K CB -0.208 32.304 32.500 0.020 0.000 0.738 176 K HN 0.362 nan 8.250 nan 0.000 0.447 177 A N 1.408 124.267 122.820 0.065 0.000 2.238 177 A HA -0.047 4.273 4.320 0.001 0.000 0.208 177 A C 0.284 177.911 177.584 0.071 0.000 1.177 177 A CA 0.158 52.225 52.037 0.050 0.000 0.804 177 A CB -0.543 18.481 19.000 0.041 0.000 0.823 177 A HN 0.273 nan 8.150 nan 0.000 0.482 178 H N -0.729 118.342 119.070 0.002 0.000 2.525 178 H HA 0.333 4.889 4.556 0.001 0.000 0.339 178 H C 1.402 176.700 175.328 -0.050 0.000 1.109 178 H CA 0.485 56.528 56.048 -0.010 0.000 1.352 178 H CB 1.517 31.292 29.762 0.022 0.000 1.461 178 H HN 0.148 nan 8.280 nan 0.000 0.533 179 G N 3.513 112.058 108.800 -0.425 0.000 2.464 179 G HA2 -0.133 3.828 3.960 0.001 0.000 0.214 179 G HA3 -0.133 3.828 3.960 0.001 0.000 0.214 179 G C 1.004 175.718 174.900 -0.309 0.000 1.218 179 G CA 0.519 45.432 45.100 -0.311 0.000 0.794 179 G HN 0.709 nan 8.290 nan 0.000 0.542 180 G N -0.343 108.242 108.800 -0.359 0.000 2.441 180 G HA2 0.373 4.333 3.960 0.001 0.000 0.258 180 G HA3 0.373 4.333 3.960 0.001 0.000 0.258 180 G C -0.520 174.111 174.900 -0.447 0.000 1.487 180 G CA -0.465 44.318 45.100 -0.528 0.000 1.058 180 G HN 0.118 nan 8.290 nan 0.000 0.552 181 F N -1.136 118.771 119.950 -0.071 0.000 2.483 181 F HA 0.636 5.164 4.527 0.001 0.000 0.329 181 F C 0.633 176.446 175.800 0.022 0.000 1.064 181 F CA -0.820 57.103 58.000 -0.128 0.000 0.986 181 F CB 2.003 40.684 39.000 -0.532 0.000 1.218 181 F HN 0.150 nan 8.300 nan 0.000 0.484 182 S N 0.525 116.404 115.700 0.298 0.000 2.532 182 S HA 0.783 5.253 4.470 0.001 0.000 0.301 182 S C -1.046 173.743 174.600 0.315 0.000 1.083 182 S CA -0.706 57.674 58.200 0.300 0.000 1.025 182 S CB 2.004 65.396 63.200 0.319 0.000 1.056 182 S HN 0.309 nan 8.310 nan 0.000 0.494 183 V N 3.174 123.276 119.914 0.313 0.000 2.540 183 V HA 0.518 4.638 4.120 0.001 0.000 0.302 183 V C -1.196 175.066 176.094 0.279 0.000 1.035 183 V CA -0.693 61.760 62.300 0.254 0.000 0.873 183 V CB 1.391 33.321 31.823 0.179 0.000 0.992 183 V HN 0.832 nan 8.190 nan 0.000 0.428 184 F N 3.484 123.476 119.950 0.070 0.000 2.402 184 F HA 0.645 5.172 4.527 0.001 0.000 0.355 184 F C 0.289 175.990 175.800 -0.166 0.000 1.123 184 F CA -0.094 57.916 58.000 0.017 0.000 1.021 184 F CB 1.591 40.570 39.000 -0.035 0.000 1.160 184 F HN 0.486 nan 8.300 nan 0.000 0.451 185 T N 4.833 119.059 114.554 -0.547 0.000 2.758 185 T HA 0.490 4.840 4.350 0.001 0.000 0.285 185 T C 0.227 174.595 174.700 -0.554 0.000 0.981 185 T CA -0.610 61.223 62.100 -0.445 0.000 0.965 185 T CB 1.164 69.863 68.868 -0.282 0.000 0.927 185 T HN 0.850 nan 8.240 nan 0.000 0.448 186 G N 2.099 110.734 108.800 -0.276 0.000 2.350 186 G HA2 0.513 4.473 3.960 0.001 0.000 0.306 186 G HA3 0.513 4.473 3.960 0.001 0.000 0.306 186 G C -0.564 174.416 174.900 0.133 0.000 1.094 186 G CA -0.384 44.820 45.100 0.174 0.000 0.953 186 G HN 0.658 nan 8.290 nan 0.000 0.420 187 V N 2.704 122.662 119.914 0.073 0.000 2.350 187 V HA 0.595 4.716 4.120 0.001 0.000 0.285 187 V C 1.161 177.309 176.094 0.091 0.000 1.014 187 V CA 0.335 62.671 62.300 0.060 0.000 0.831 187 V CB 0.930 32.760 31.823 0.011 0.000 1.000 187 V HN 1.323 nan 8.190 nan 0.000 0.433 188 G N 3.457 112.313 108.800 0.093 0.000 2.233 188 G HA2 -0.210 3.750 3.960 0.001 0.000 0.270 188 G HA3 -0.210 3.750 3.960 0.001 0.000 0.270 188 G C 0.309 175.257 174.900 0.079 0.000 1.011 188 G CA 0.702 45.846 45.100 0.073 0.000 0.762 188 G HN 0.599 nan 8.290 nan 0.000 0.511 189 E N -0.550 119.719 120.200 0.114 0.000 3.388 189 E HA 0.495 4.846 4.350 0.001 0.000 0.271 189 E C 0.922 177.569 176.600 0.079 0.000 0.808 189 E CA -0.733 55.728 56.400 0.102 0.000 1.710 189 E CB 0.373 30.158 29.700 0.142 0.000 1.831 189 E HN 0.380 nan 8.360 nan 0.000 0.541 190 R N 0.054 120.596 120.500 0.070 0.000 2.297 190 R HA 0.277 4.617 4.340 0.001 0.000 0.308 190 R C 1.218 177.511 176.300 -0.011 0.000 1.029 190 R CA -0.001 56.116 56.100 0.028 0.000 0.929 190 R CB 0.712 31.029 30.300 0.028 0.000 1.046 190 R HN 0.345 nan 8.270 nan 0.000 0.461 191 T N 2.564 117.093 114.554 -0.043 0.000 2.684 191 T HA -0.198 4.152 4.350 0.001 0.000 0.267 191 T C 1.643 176.257 174.700 -0.144 0.000 1.036 191 T CA 1.871 63.901 62.100 -0.117 0.000 1.148 191 T CB -0.107 68.706 68.868 -0.092 0.000 0.863 191 T HN 0.609 nan 8.240 nan 0.000 0.436 192 R N 1.501 121.954 120.500 -0.078 0.000 2.285 192 R HA 0.056 4.396 4.340 0.001 0.000 0.213 192 R C 1.859 178.125 176.300 -0.057 0.000 1.068 192 R CA 1.272 57.333 56.100 -0.065 0.000 1.004 192 R CB -0.309 29.974 30.300 -0.029 0.000 0.873 192 R HN 0.420 nan 8.270 nan 0.000 0.467 193 E N 0.762 120.933 120.200 -0.047 0.000 2.028 193 E HA -0.075 4.276 4.350 0.001 0.000 0.190 193 E C 2.149 178.699 176.600 -0.082 0.000 0.984 193 E CA 1.096 57.487 56.400 -0.015 0.000 0.800 193 E CB -0.324 29.410 29.700 0.056 0.000 0.758 193 E HN 0.580 nan 8.360 nan 0.000 0.448 194 G N 1.732 110.393 108.800 -0.232 0.000 2.631 194 G HA2 -0.442 3.519 3.960 0.001 0.000 0.219 194 G HA3 -0.442 3.519 3.960 0.001 0.000 0.219 194 G C 1.350 176.067 174.900 -0.304 0.000 1.214 194 G CA 1.550 46.308 45.100 -0.569 0.000 0.785 194 G HN 0.286 nan 8.290 nan 0.000 0.596 195 N N 0.525 119.080 118.700 -0.241 0.000 2.132 195 N HA -0.159 4.581 4.740 0.001 0.000 0.191 195 N C 1.707 177.208 175.510 -0.014 0.000 1.015 195 N CA 1.944 54.942 53.050 -0.087 0.000 0.864 195 N CB -0.180 38.263 38.487 -0.073 0.000 1.006 195 N HN 0.268 nan 8.380 nan 0.000 0.430 196 D N -0.259 120.118 120.400 -0.038 0.000 2.097 196 D HA -0.116 4.524 4.640 0.001 0.000 0.197 196 D C 1.891 178.176 176.300 -0.025 0.000 0.984 196 D CA 0.570 54.557 54.000 -0.021 0.000 0.826 196 D CB -0.439 40.355 40.800 -0.010 0.000 0.973 196 D HN 0.241 nan 8.370 nan 0.000 0.460 197 L N -0.004 121.193 121.223 -0.044 0.000 2.017 197 L HA -0.193 4.147 4.340 0.001 0.000 0.208 197 L C 2.249 179.122 176.870 0.005 0.000 1.073 197 L CA 1.463 56.255 54.840 -0.080 0.000 0.745 197 L CB -0.769 41.169 42.059 -0.202 0.000 0.894 197 L HN 0.024 nan 8.230 nan 0.000 0.432 198 Y N 0.478 120.732 120.300 -0.076 0.000 2.114 198 Y HA -0.317 4.234 4.550 0.001 0.000 0.282 198 Y C 2.790 178.662 175.900 -0.046 0.000 1.165 198 Y CA 2.010 60.088 58.100 -0.038 0.000 1.148 198 Y CB -0.308 38.137 38.460 -0.025 0.000 0.972 198 Y HN 0.136 nan 8.280 nan 0.000 0.504 199 R N -0.115 120.375 120.500 -0.017 0.000 2.152 199 R HA -0.161 4.180 4.340 0.001 0.000 0.232 199 R C 2.212 178.450 176.300 -0.102 0.000 1.117 199 R CA 1.623 57.666 56.100 -0.095 0.000 0.981 199 R CB -0.144 30.130 30.300 -0.044 0.000 0.870 199 R HN 0.501 nan 8.270 nan 0.000 0.451 200 E N -0.269 119.882 120.200 -0.081 0.000 2.028 200 E HA -0.134 4.216 4.350 0.001 0.000 0.190 200 E C 2.040 178.580 176.600 -0.099 0.000 0.984 200 E CA 1.044 57.393 56.400 -0.085 0.000 0.800 200 E CB 0.077 29.727 29.700 -0.083 0.000 0.758 200 E HN 0.162 nan 8.360 nan 0.000 0.448 201 M N 0.953 120.491 119.600 -0.102 0.000 2.089 201 M HA -0.256 4.225 4.480 0.001 0.000 0.257 201 M C 2.061 178.289 176.300 -0.119 0.000 1.071 201 M CA 1.743 56.986 55.300 -0.095 0.000 1.096 201 M CB -1.026 31.538 32.600 -0.059 0.000 1.330 201 M HN 0.010 nan 8.290 nan 0.000 0.403 202 K N 0.124 120.409 120.400 -0.191 0.000 2.032 202 K HA -0.177 4.143 4.320 0.001 0.000 0.209 202 K C 2.038 178.564 176.600 -0.122 0.000 1.048 202 K CA 1.598 57.767 56.287 -0.195 0.000 0.927 202 K CB -0.152 32.183 32.500 -0.276 0.000 0.712 202 K HN 0.403 nan 8.250 nan 0.000 0.441 203 E N -0.277 119.858 120.200 -0.108 0.000 2.072 203 E HA -0.126 4.224 4.350 0.001 0.000 0.191 203 E C 1.923 178.485 176.600 -0.063 0.000 0.985 203 E CA 1.739 58.092 56.400 -0.078 0.000 0.801 203 E CB 0.042 29.698 29.700 -0.073 0.000 0.750 203 E HN 0.344 nan 8.360 nan 0.000 0.452 204 T N -1.425 113.091 114.554 -0.064 0.000 2.759 204 T HA -0.105 4.246 4.350 0.001 0.000 0.269 204 T C 1.698 176.374 174.700 -0.040 0.000 1.042 204 T CA 1.117 63.187 62.100 -0.050 0.000 1.140 204 T CB -0.303 68.534 68.868 -0.052 0.000 0.864 204 T HN 0.436 nan 8.240 nan 0.000 0.455 205 G N -0.150 108.622 108.800 -0.046 0.000 2.213 205 G HA2 -0.296 3.664 3.960 0.001 0.000 0.226 205 G HA3 -0.296 3.664 3.960 0.001 0.000 0.226 205 G C 1.061 175.949 174.900 -0.021 0.000 0.992 205 G CA 0.158 45.238 45.100 -0.034 0.000 0.632 205 G HN 0.454 nan 8.290 nan 0.000 0.511 206 V N 0.749 120.650 119.914 -0.021 0.000 2.380 206 V HA 0.019 4.139 4.120 0.001 0.000 0.251 206 V C 1.617 177.718 176.094 0.011 0.000 1.063 206 V CA 1.972 64.273 62.300 0.002 0.000 1.055 206 V CB -0.253 31.567 31.823 -0.006 0.000 0.657 206 V HN 0.515 nan 8.190 nan 0.000 0.455 207 I N 1.174 121.732 120.570 -0.020 0.000 2.339 207 I HA 0.293 4.463 4.170 0.001 0.000 0.290 207 I C -0.217 175.874 176.117 -0.042 0.000 0.994 207 I CA -0.238 61.052 61.300 -0.017 0.000 1.191 207 I CB 1.259 39.238 38.000 -0.035 0.000 1.343 207 I HN 0.118 nan 8.210 nan 0.000 0.458 208 N N 7.043 125.734 118.700 -0.014 0.000 2.558 208 N HA 0.325 5.066 4.740 0.001 0.000 0.242 208 N C 0.647 176.151 175.510 -0.010 0.000 0.979 208 N CA -0.404 52.635 53.050 -0.018 0.000 0.931 208 N CB 1.036 39.521 38.487 -0.004 0.000 1.122 208 N HN 0.566 nan 8.380 nan 0.000 0.508 209 L N 0.671 121.879 121.223 -0.025 0.000 2.010 209 L HA -0.141 4.199 4.340 0.001 0.000 0.219 209 L C 0.626 177.501 176.870 0.008 0.000 1.077 209 L CA 1.345 56.182 54.840 -0.006 0.000 0.773 209 L CB -0.117 41.931 42.059 -0.018 0.000 0.892 209 L HN 0.524 nan 8.230 nan 0.000 0.436 210 E N 0.073 120.275 120.200 0.003 0.000 2.969 210 E HA 0.453 4.804 4.350 0.001 0.000 0.213 210 E C -0.219 176.385 176.600 0.008 0.000 1.107 210 E CA 0.128 56.533 56.400 0.008 0.000 1.007 210 E CB 0.389 30.093 29.700 0.007 0.000 1.326 210 E HN 0.302 nan 8.360 nan 0.000 0.432 211 G N 1.023 109.830 108.800 0.012 0.000 2.325 211 G HA2 0.098 4.059 3.960 0.001 0.000 0.295 211 G HA3 0.098 4.059 3.960 0.001 0.000 0.295 211 G C -1.281 173.631 174.900 0.020 0.000 1.274 211 G CA -0.906 44.203 45.100 0.014 0.000 0.857 211 G HN 0.093 nan 8.290 nan 0.000 0.499 212 E N 0.774 120.989 120.200 0.026 0.000 2.366 212 E HA 0.416 4.766 4.350 0.001 0.000 0.266 212 E C -0.127 176.497 176.600 0.041 0.000 1.015 212 E CA 0.245 56.667 56.400 0.038 0.000 0.906 212 E CB 1.207 30.939 29.700 0.054 0.000 0.979 212 E HN 0.346 nan 8.360 nan 0.000 0.443 213 S N 2.476 118.201 115.700 0.041 0.000 2.593 213 S HA 0.320 4.791 4.470 0.001 0.000 0.297 213 S C 0.746 175.394 174.600 0.080 0.000 1.112 213 S CA -0.857 57.374 58.200 0.051 0.000 1.043 213 S CB 1.932 65.160 63.200 0.047 0.000 1.054 213 S HN 0.384 nan 8.310 nan 0.000 0.516 214 K N 0.276 120.744 120.400 0.114 0.000 2.374 214 K HA 0.337 4.657 4.320 0.001 0.000 0.202 214 K C -0.370 176.352 176.600 0.203 0.000 1.040 214 K CA 0.128 56.543 56.287 0.214 0.000 1.085 214 K CB 0.954 33.572 32.500 0.197 0.000 0.873 214 K HN 0.349 nan 8.250 nan 0.000 0.539 215 V N 0.447 120.442 119.914 0.135 0.000 2.735 215 V HA 0.714 4.834 4.120 0.001 0.000 0.310 215 V C -1.625 174.553 176.094 0.141 0.000 1.061 215 V CA -0.830 61.563 62.300 0.155 0.000 0.913 215 V CB 1.780 33.686 31.823 0.140 0.000 1.005 215 V HN 0.100 nan 8.190 nan 0.000 0.428 216 A N 6.442 129.366 122.820 0.173 0.000 2.324 216 A HA 0.879 5.200 4.320 0.001 0.000 0.330 216 A C -1.099 176.553 177.584 0.114 0.000 1.165 216 A CA -0.620 51.501 52.037 0.141 0.000 0.813 216 A CB 0.978 20.073 19.000 0.158 0.000 1.197 216 A HN 0.866 nan 8.150 nan 0.000 0.484 217 L N 2.533 123.797 121.223 0.068 0.000 2.313 217 L HA 0.580 4.921 4.340 0.001 0.000 0.283 217 L C -0.954 175.839 176.870 -0.129 0.000 1.013 217 L CA -0.709 54.114 54.840 -0.028 0.000 0.816 217 L CB 1.952 44.051 42.059 0.067 0.000 1.236 217 L HN 0.432 nan 8.230 nan 0.000 0.419 218 V N 3.233 122.967 119.914 -0.301 0.000 2.531 218 V HA 0.505 4.626 4.120 0.001 0.000 0.301 218 V C -0.792 175.056 176.094 -0.410 0.000 1.034 218 V CA -0.522 61.636 62.300 -0.238 0.000 0.865 218 V CB 1.649 33.386 31.823 -0.143 0.000 0.995 218 V HN 0.369 nan 8.190 nan 0.000 0.424 219 F N 1.915 121.896 119.950 0.052 0.000 2.540 219 F HA 0.801 5.329 4.527 0.001 0.000 0.317 219 F C 0.673 176.490 175.800 0.028 0.000 1.104 219 F CA -0.732 57.303 58.000 0.057 0.000 0.913 219 F CB 2.596 41.623 39.000 0.046 0.000 1.170 219 F HN 0.560 nan 8.300 nan 0.000 0.450 220 G N 3.354 112.300 108.800 0.244 0.000 3.948 220 G HA2 0.296 4.256 3.960 0.001 0.000 0.300 220 G HA3 0.296 4.256 3.960 0.001 0.000 0.300 220 G C -0.696 174.283 174.900 0.131 0.000 1.318 220 G CA -0.472 44.710 45.100 0.137 0.000 0.768 220 G HN 0.292 nan 8.290 nan 0.000 0.504 221 Q N 0.651 120.531 119.800 0.133 0.000 2.526 221 Q HA 0.192 4.532 4.340 0.001 0.000 0.207 221 Q C 2.031 178.066 176.000 0.058 0.000 1.078 221 Q CA -0.509 55.355 55.803 0.101 0.000 1.041 221 Q CB 0.584 29.360 28.738 0.064 0.000 1.228 221 Q HN 0.695 nan 8.270 nan 0.000 0.603 222 M N -0.249 119.377 119.600 0.043 0.000 2.722 222 M HA 0.001 4.481 4.480 0.001 0.000 0.238 222 M C 0.607 176.916 176.300 0.015 0.000 1.098 222 M CA 0.978 56.294 55.300 0.025 0.000 1.062 222 M CB -0.249 32.363 32.600 0.019 0.000 1.573 222 M HN 0.367 nan 8.290 nan 0.000 0.531 223 N N 0.686 119.395 118.700 0.015 0.000 2.353 223 N HA 0.039 4.779 4.740 0.001 0.000 0.185 223 N C -0.401 175.115 175.510 0.009 0.000 1.098 223 N CA 0.132 53.187 53.050 0.007 0.000 0.872 223 N CB -0.002 38.486 38.487 0.001 0.000 0.970 223 N HN 0.578 nan 8.380 nan 0.000 0.467 224 E N 1.938 122.147 120.200 0.016 0.000 2.242 224 E HA 0.332 4.683 4.350 0.001 0.000 0.275 224 E C -2.296 174.310 176.600 0.011 0.000 1.002 224 E CA -2.180 54.229 56.400 0.016 0.000 0.841 224 E CB 1.132 30.848 29.700 0.026 0.000 1.109 224 E HN 0.179 nan 8.360 nan 0.000 0.394 225 P HA -0.065 nan 4.420 nan 0.000 0.269 225 P C -2.083 175.217 177.300 0.001 0.000 1.211 225 P CA -0.920 62.181 63.100 0.003 0.000 0.781 225 P CB 0.023 31.726 31.700 0.005 0.000 0.877 226 P HA -0.218 nan 4.420 nan 0.000 0.216 226 P C 1.689 178.982 177.300 -0.013 0.000 1.153 226 P CA 2.122 65.210 63.100 -0.020 0.000 0.858 226 P CB -0.711 30.970 31.700 -0.032 0.000 0.789 227 G N 0.806 109.605 108.800 -0.002 0.000 2.586 227 G HA2 -0.348 3.613 3.960 0.001 0.000 0.218 227 G HA3 -0.348 3.613 3.960 0.001 0.000 0.218 227 G C 1.819 176.732 174.900 0.023 0.000 1.216 227 G CA 1.958 47.065 45.100 0.012 0.000 0.786 227 G HN 0.387 nan 8.290 nan 0.000 0.583 228 A N 0.581 123.414 122.820 0.023 0.000 1.884 228 A HA -0.156 4.165 4.320 0.001 0.000 0.219 228 A C 2.459 180.064 177.584 0.035 0.000 1.197 228 A CA 2.213 54.267 52.037 0.028 0.000 0.637 228 A CB -0.574 18.442 19.000 0.027 0.000 0.827 228 A HN 0.386 nan 8.150 nan 0.000 0.450 229 R N -0.838 119.680 120.500 0.030 0.000 2.127 229 R HA -0.067 4.273 4.340 0.001 0.000 0.238 229 R C 2.212 178.549 176.300 0.060 0.000 1.134 229 R CA 1.184 57.306 56.100 0.037 0.000 0.975 229 R CB -0.374 29.936 30.300 0.016 0.000 0.865 229 R HN 0.535 nan 8.270 nan 0.000 0.447 230 A N 0.013 122.860 122.820 0.045 0.000 2.167 230 A HA 0.004 4.324 4.320 0.001 0.000 0.214 230 A C 1.664 179.379 177.584 0.218 0.000 1.151 230 A CA 0.759 52.849 52.037 0.088 0.000 0.735 230 A CB 0.119 19.095 19.000 -0.039 0.000 0.802 230 A HN 0.043 nan 8.150 nan 0.000 0.467 231 R N -1.645 118.925 120.500 0.117 0.000 2.316 231 R HA 0.134 4.475 4.340 0.001 0.000 0.201 231 R C 1.731 178.031 176.300 0.000 0.000 0.888 231 R CA 0.807 56.948 56.100 0.069 0.000 1.041 231 R CB -0.878 29.449 30.300 0.044 0.000 1.115 231 R HN 0.346 nan 8.270 nan 0.000 0.559 232 V N 1.448 121.370 119.914 0.013 0.000 2.626 232 V HA -0.113 4.007 4.120 0.001 0.000 0.252 232 V C 2.062 178.113 176.094 -0.070 0.000 1.067 232 V CA 1.842 64.128 62.300 -0.023 0.000 1.081 232 V CB -0.302 31.526 31.823 0.007 0.000 0.686 232 V HN 0.270 nan 8.190 nan 0.000 0.468 233 A N -0.166 122.606 122.820 -0.081 0.000 1.933 233 A HA -0.116 4.204 4.320 0.001 0.000 0.218 233 A C 2.095 179.560 177.584 -0.197 0.000 1.175 233 A CA 1.933 53.871 52.037 -0.166 0.000 0.628 233 A CB -0.450 18.402 19.000 -0.247 0.000 0.814 233 A HN 0.578 nan 8.150 nan 0.000 0.444 234 L N -0.972 120.135 121.223 -0.193 0.000 2.156 234 L HA -0.115 4.226 4.340 0.001 0.000 0.208 234 L C 2.697 179.457 176.870 -0.182 0.000 1.095 234 L CA 1.545 56.255 54.840 -0.216 0.000 0.770 234 L CB -1.168 40.729 42.059 -0.271 0.000 0.914 234 L HN 0.323 nan 8.230 nan 0.000 0.439 235 T N 0.194 114.659 114.554 -0.149 0.000 2.643 235 T HA -0.137 4.214 4.350 0.001 0.000 0.264 235 T C 1.919 176.546 174.700 -0.122 0.000 1.045 235 T CA 1.572 63.597 62.100 -0.125 0.000 1.155 235 T CB -0.675 68.138 68.868 -0.093 0.000 0.863 235 T HN 0.527 nan 8.240 nan 0.000 0.420 236 G N 1.708 110.436 108.800 -0.120 0.000 2.476 236 G HA2 -0.208 3.753 3.960 0.001 0.000 0.218 236 G HA3 -0.208 3.753 3.960 0.001 0.000 0.218 236 G C 1.574 176.409 174.900 -0.107 0.000 1.164 236 G CA 1.220 46.252 45.100 -0.113 0.000 0.768 236 G HN 0.457 nan 8.290 nan 0.000 0.560 237 L N 0.922 122.067 121.223 -0.130 0.000 2.083 237 L HA -0.008 4.332 4.340 0.001 0.000 0.209 237 L C 2.772 179.580 176.870 -0.102 0.000 1.083 237 L CA 2.792 57.559 54.840 -0.121 0.000 0.752 237 L CB -1.104 40.862 42.059 -0.155 0.000 0.899 237 L HN 0.177 nan 8.230 nan 0.000 0.433 238 T N 0.271 114.755 114.554 -0.117 0.000 2.684 238 T HA -0.192 4.159 4.350 0.001 0.000 0.267 238 T C 1.961 176.594 174.700 -0.113 0.000 1.036 238 T CA 2.215 64.251 62.100 -0.107 0.000 1.148 238 T CB -0.449 68.344 68.868 -0.125 0.000 0.863 238 T HN 0.362 nan 8.240 nan 0.000 0.436 239 I N 1.445 121.928 120.570 -0.146 0.000 2.091 239 I HA -0.270 3.901 4.170 0.001 0.000 0.239 239 I C 2.928 178.912 176.117 -0.222 0.000 1.061 239 I CA 1.457 62.623 61.300 -0.223 0.000 1.317 239 I CB -0.545 37.349 38.000 -0.177 0.000 1.031 239 I HN 0.211 nan 8.210 nan 0.000 0.401 240 A N 0.159 122.938 122.820 -0.068 0.000 1.917 240 A HA -0.283 4.038 4.320 0.001 0.000 0.219 240 A C 2.191 179.803 177.584 0.047 0.000 1.182 240 A CA 2.121 54.189 52.037 0.053 0.000 0.633 240 A CB -0.737 18.285 19.000 0.035 0.000 0.819 240 A HN 0.518 nan 8.150 nan 0.000 0.448 241 E N -1.930 118.268 120.200 -0.004 0.000 2.110 241 E HA -0.208 4.142 4.350 0.001 0.000 0.193 241 E C 1.859 178.478 176.600 0.031 0.000 0.988 241 E CA 1.393 57.800 56.400 0.012 0.000 0.804 241 E CB -0.301 29.396 29.700 -0.004 0.000 0.745 241 E HN 0.793 nan 8.360 nan 0.000 0.458 242 Y N 0.268 120.483 120.300 -0.141 0.000 2.224 242 Y HA -0.233 4.317 4.550 0.001 0.000 0.289 242 Y C 1.702 177.578 175.900 -0.039 0.000 1.146 242 Y CA 1.312 59.318 58.100 -0.156 0.000 1.182 242 Y CB -0.136 38.147 38.460 -0.295 0.000 0.983 242 Y HN -0.040 nan 8.280 nan 0.000 0.524 243 F N 0.241 120.209 119.950 0.029 0.000 2.146 243 F HA -0.106 4.421 4.527 0.001 0.000 0.298 243 F C 2.719 178.500 175.800 -0.031 0.000 1.096 243 F CA 1.645 59.657 58.000 0.020 0.000 1.275 243 F CB -1.081 38.036 39.000 0.195 0.000 1.008 243 F HN -0.005 nan 8.300 nan 0.000 0.480 244 R N 0.402 121.004 120.500 0.170 0.000 2.081 244 R HA -0.162 4.178 4.340 0.001 0.000 0.235 244 R C 1.471 177.773 176.300 0.004 0.000 1.131 244 R CA 2.072 58.216 56.100 0.074 0.000 0.960 244 R CB -0.302 30.029 30.300 0.051 0.000 0.856 244 R HN 0.178 nan 8.270 nan 0.000 0.436 245 D N -0.413 119.958 120.400 -0.048 0.000 2.262 245 D HA -0.039 4.602 4.640 0.001 0.000 0.212 245 D C 1.136 177.359 176.300 -0.130 0.000 0.964 245 D CA 0.815 54.771 54.000 -0.074 0.000 0.875 245 D CB 0.269 41.038 40.800 -0.052 0.000 0.996 245 D HN 0.251 nan 8.370 nan 0.000 0.497 246 E N 0.018 120.052 120.200 -0.278 0.000 2.562 246 E HA 0.034 4.384 4.350 0.001 0.000 0.214 246 E C 0.932 177.415 176.600 -0.195 0.000 0.979 246 E CA 0.134 56.347 56.400 -0.312 0.000 1.002 246 E CB 1.063 30.420 29.700 -0.571 0.000 1.048 246 E HN 0.118 nan 8.360 nan 0.000 0.488 247 E N 0.623 120.772 120.200 -0.085 0.000 2.460 247 E HA 0.131 4.481 4.350 0.001 0.000 0.200 247 E C 0.611 177.226 176.600 0.026 0.000 1.011 247 E CA 0.516 56.954 56.400 0.065 0.000 0.912 247 E CB 0.291 30.155 29.700 0.273 0.000 0.953 247 E HN 0.201 nan 8.360 nan 0.000 0.494 248 G N 1.876 110.674 108.800 -0.003 0.000 2.290 248 G HA2 -0.312 3.649 3.960 0.001 0.000 0.270 248 G HA3 -0.312 3.649 3.960 0.001 0.000 0.270 248 G C -0.210 174.676 174.900 -0.023 0.000 0.891 248 G CA 1.259 46.351 45.100 -0.014 0.000 1.321 248 G HN 0.319 nan 8.290 nan 0.000 0.425 249 Q N -0.457 119.335 119.800 -0.014 0.000 2.647 249 Q HA 0.158 4.498 4.340 0.001 0.000 0.283 249 Q C -1.342 174.651 176.000 -0.012 0.000 0.943 249 Q CA -0.977 54.793 55.803 -0.054 0.000 0.813 249 Q CB 1.340 29.996 28.738 -0.136 0.000 1.477 249 Q HN 0.351 nan 8.270 nan 0.000 0.393 250 D N 2.000 122.387 120.400 -0.021 0.000 2.344 250 D HA 0.161 4.802 4.640 0.001 0.000 0.253 250 D C -0.346 176.058 176.300 0.174 0.000 1.255 250 D CA 0.343 54.398 54.000 0.091 0.000 0.894 250 D CB 0.731 41.603 40.800 0.120 0.000 1.067 250 D HN 0.154 nan 8.370 nan 0.000 0.492 251 V N 2.776 122.764 119.914 0.123 0.000 2.743 251 V HA 0.423 4.544 4.120 0.001 0.000 0.301 251 V C 0.490 176.598 176.094 0.024 0.000 1.057 251 V CA -0.839 61.540 62.300 0.130 0.000 1.006 251 V CB 1.702 33.639 31.823 0.191 0.000 1.024 251 V HN 0.320 nan 8.190 nan 0.000 0.473 252 L N 3.682 124.911 121.223 0.009 0.000 2.372 252 L HA 0.526 4.867 4.340 0.001 0.000 0.274 252 L C -1.057 175.757 176.870 -0.093 0.000 0.988 252 L CA -0.459 54.295 54.840 -0.143 0.000 0.833 252 L CB 1.751 43.754 42.059 -0.093 0.000 1.236 252 L HN 0.495 nan 8.230 nan 0.000 0.410 253 L N 4.298 125.354 121.223 -0.278 0.000 2.294 253 L HA 0.571 4.911 4.340 0.001 0.000 0.283 253 L C -1.277 175.364 176.870 -0.382 0.000 1.015 253 L CA 0.140 54.865 54.840 -0.191 0.000 0.831 253 L CB 0.793 42.764 42.059 -0.147 0.000 1.217 253 L HN 0.201 nan 8.230 nan 0.000 0.420 254 F N 5.912 125.784 119.950 -0.131 0.000 2.427 254 F HA 0.589 5.117 4.527 0.001 0.000 0.346 254 F C 0.057 175.556 175.800 -0.501 0.000 1.120 254 F CA -0.397 57.472 58.000 -0.218 0.000 1.033 254 F CB 1.410 40.389 39.000 -0.036 0.000 1.126 254 F HN 0.239 nan 8.300 nan 0.000 0.462 255 I N 2.915 123.330 120.570 -0.257 0.000 2.439 255 I HA 0.257 4.427 4.170 0.001 0.000 0.285 255 I C -1.374 174.603 176.117 -0.235 0.000 1.021 255 I CA -0.495 60.603 61.300 -0.337 0.000 1.091 255 I CB 1.845 39.699 38.000 -0.243 0.000 1.242 255 I HN 0.434 nan 8.210 nan 0.000 0.439 256 D N 6.457 126.696 120.400 -0.269 0.000 2.473 256 D HA 0.290 4.930 4.640 0.001 0.000 0.253 256 D C -1.228 175.088 176.300 0.028 0.000 1.233 256 D CA -0.283 53.701 54.000 -0.027 0.000 0.908 256 D CB 1.116 42.002 40.800 0.144 0.000 1.170 256 D HN 0.351 nan 8.370 nan 0.000 0.558 257 N N 4.478 123.207 118.700 0.049 0.000 2.410 257 N HA 0.169 4.909 4.740 0.001 0.000 0.287 257 N C 0.559 176.105 175.510 0.061 0.000 1.044 257 N CA -0.489 52.599 53.050 0.064 0.000 0.881 257 N CB 1.647 40.217 38.487 0.137 0.000 1.405 257 N HN 0.346 nan 8.380 nan 0.000 0.490 258 I N 3.873 124.448 120.570 0.008 0.000 2.454 258 I HA -0.136 4.035 4.170 0.001 0.000 0.254 258 I C 1.776 177.959 176.117 0.109 0.000 1.156 258 I CA 0.886 62.187 61.300 0.002 0.000 1.433 258 I CB -0.469 37.471 38.000 -0.100 0.000 1.082 258 I HN 0.614 nan 8.210 nan 0.000 0.432 259 F N 1.583 121.548 119.950 0.025 0.000 2.154 259 F HA -0.273 4.254 4.527 0.001 0.000 0.301 259 F C 2.300 178.171 175.800 0.118 0.000 1.087 259 F CA 1.639 59.694 58.000 0.091 0.000 1.274 259 F CB -0.370 38.733 39.000 0.171 0.000 1.009 259 F HN 0.005 nan 8.300 nan 0.000 0.485 260 R N -0.213 120.287 120.500 -0.000 0.000 2.237 260 R HA -0.165 4.175 4.340 0.001 0.000 0.219 260 R C 2.110 178.350 176.300 -0.099 0.000 1.080 260 R CA 1.145 57.183 56.100 -0.103 0.000 0.995 260 R CB -1.683 28.640 30.300 0.038 0.000 0.875 260 R HN 0.504 nan 8.270 nan 0.000 0.462 261 F N 1.363 121.210 119.950 -0.172 0.000 2.163 261 F HA -0.109 4.419 4.527 0.001 0.000 0.297 261 F C 1.867 177.572 175.800 -0.160 0.000 1.094 261 F CA 1.408 59.325 58.000 -0.138 0.000 1.290 261 F CB -0.281 38.651 39.000 -0.113 0.000 1.017 261 F HN -0.147 nan 8.300 nan 0.000 0.483 262 T N 0.245 114.577 114.554 -0.370 0.000 2.857 262 T HA -0.193 4.157 4.350 0.001 0.000 0.266 262 T C 1.883 176.369 174.700 -0.357 0.000 1.048 262 T CA 1.439 63.279 62.100 -0.433 0.000 1.139 262 T CB -0.326 68.402 68.868 -0.233 0.000 0.874 262 T HN 0.427 nan 8.240 nan 0.000 0.455 263 Q N 0.654 120.153 119.800 -0.502 0.000 2.061 263 Q HA -0.138 4.202 4.340 0.001 0.000 0.204 263 Q C 2.503 178.368 176.000 -0.226 0.000 0.984 263 Q CA 1.637 57.216 55.803 -0.373 0.000 0.846 263 Q CB -0.295 28.138 28.738 -0.509 0.000 0.902 263 Q HN 0.531 nan 8.270 nan 0.000 0.421 264 A N 0.475 123.154 122.820 -0.235 0.000 1.865 264 A HA -0.144 4.176 4.320 0.001 0.000 0.217 264 A C 2.319 179.800 177.584 -0.172 0.000 1.191 264 A CA 1.780 53.719 52.037 -0.163 0.000 0.623 264 A CB -1.554 17.373 19.000 -0.122 0.000 0.826 264 A HN 0.615 nan 8.150 nan 0.000 0.444 265 G N -0.497 108.140 108.800 -0.272 0.000 2.450 265 G HA2 -0.247 3.714 3.960 0.001 0.000 0.220 265 G HA3 -0.247 3.714 3.960 0.001 0.000 0.220 265 G C 1.954 176.768 174.900 -0.144 0.000 1.130 265 G CA 1.893 46.852 45.100 -0.235 0.000 0.760 265 G HN 0.819 nan 8.290 nan 0.000 0.557 266 S N 0.574 116.196 115.700 -0.129 0.000 2.382 266 S HA -0.096 4.374 4.470 0.001 0.000 0.228 266 S C 2.013 176.569 174.600 -0.073 0.000 1.027 266 S CA 1.649 59.810 58.200 -0.066 0.000 0.991 266 S CB -0.364 62.816 63.200 -0.034 0.000 0.823 266 S HN 0.546 nan 8.310 nan 0.000 0.469 267 E N 0.462 120.614 120.200 -0.081 0.000 2.472 267 E HA -0.030 4.320 4.350 0.001 0.000 0.200 267 E C 1.596 178.168 176.600 -0.046 0.000 1.046 267 E CA 1.132 57.496 56.400 -0.061 0.000 0.871 267 E CB 0.059 29.725 29.700 -0.056 0.000 0.806 267 E HN 0.753 nan 8.360 nan 0.000 0.533 268 V N -3.850 116.035 119.914 -0.048 0.000 3.502 268 V HA 0.157 4.277 4.120 0.001 0.000 0.288 268 V C 1.947 178.024 176.094 -0.028 0.000 1.461 268 V CA 0.284 62.564 62.300 -0.033 0.000 1.029 268 V CB 0.780 32.585 31.823 -0.030 0.000 0.843 268 V HN 0.012 nan 8.190 nan 0.000 0.438 269 S N 1.745 117.425 115.700 -0.033 0.000 2.359 269 S HA -0.159 4.312 4.470 0.001 0.000 0.224 269 S C 2.177 176.768 174.600 -0.015 0.000 1.035 269 S CA 2.284 60.469 58.200 -0.024 0.000 1.018 269 S CB -0.305 62.882 63.200 -0.022 0.000 0.876 269 S HN 0.955 nan 8.310 nan 0.000 0.448 270 A N 1.481 124.292 122.820 -0.016 0.000 1.858 270 A HA 0.046 4.367 4.320 0.001 0.000 0.216 270 A C 2.176 179.756 177.584 -0.007 0.000 1.190 270 A CA 1.490 53.520 52.037 -0.011 0.000 0.617 270 A CB -0.903 18.089 19.000 -0.013 0.000 0.827 270 A HN 0.579 nan 8.150 nan 0.000 0.443 271 L N -0.732 120.486 121.223 -0.009 0.000 2.353 271 L HA -0.074 4.266 4.340 0.001 0.000 0.220 271 L C 1.898 178.768 176.870 -0.000 0.000 1.133 271 L CA 0.442 55.279 54.840 -0.004 0.000 0.798 271 L CB -0.365 41.691 42.059 -0.005 0.000 0.922 271 L HN 0.348 nan 8.230 nan 0.000 0.445 272 L N -0.475 120.747 121.223 -0.002 0.000 2.599 272 L HA 0.092 4.432 4.340 0.001 0.000 0.230 272 L C 1.430 178.303 176.870 0.004 0.000 1.141 272 L CA 0.615 55.456 54.840 0.002 0.000 0.877 272 L CB -0.168 41.889 42.059 -0.003 0.000 1.009 272 L HN 0.438 nan 8.230 nan 0.000 0.447 273 G N -0.036 108.766 108.800 0.003 0.000 2.141 273 G HA2 -0.256 3.705 3.960 0.001 0.000 0.231 273 G HA3 -0.256 3.705 3.960 0.001 0.000 0.231 273 G C 0.163 175.066 174.900 0.004 0.000 0.984 273 G CA -0.399 44.705 45.100 0.005 0.000 0.660 273 G HN 0.257 nan 8.290 nan 0.000 0.525 274 R N -0.156 120.346 120.500 0.002 0.000 2.459 274 R HA 0.663 5.004 4.340 0.001 0.000 0.281 274 R C 1.082 177.385 176.300 0.005 0.000 1.050 274 R CA -0.532 55.570 56.100 0.004 0.000 1.055 274 R CB 0.696 30.998 30.300 0.003 0.000 1.045 274 R HN 0.317 nan 8.270 nan 0.000 0.495 275 I N 4.864 125.439 120.570 0.008 0.000 2.556 275 I HA 0.134 4.304 4.170 0.001 0.000 0.284 275 I C -1.687 174.437 176.117 0.013 0.000 1.114 275 I CA -1.762 59.543 61.300 0.009 0.000 1.418 275 I CB 0.722 38.728 38.000 0.010 0.000 1.394 275 I HN 0.339 nan 8.210 nan 0.000 0.552 276 P HA 0.120 nan 4.420 nan 0.000 0.274 276 P C -0.315 177.004 177.300 0.031 0.000 1.231 276 P CA -0.277 62.834 63.100 0.018 0.000 0.790 276 P CB 1.001 32.705 31.700 0.007 0.000 0.951 277 S N 0.714 116.445 115.700 0.051 0.000 2.566 277 S HA 0.662 5.132 4.470 0.001 0.000 0.277 277 S C 0.102 174.749 174.600 0.077 0.000 1.150 277 S CA -0.344 57.895 58.200 0.065 0.000 1.032 277 S CB -0.037 63.212 63.200 0.082 0.000 1.157 277 S HN 0.566 nan 8.310 nan 0.000 0.507 278 A N 0.013 122.890 122.820 0.095 0.000 2.386 278 A HA 0.459 4.779 4.320 0.001 0.000 0.246 278 A C 0.978 178.649 177.584 0.144 0.000 1.089 278 A CA 0.203 52.300 52.037 0.100 0.000 0.790 278 A CB -0.506 18.549 19.000 0.092 0.000 1.042 278 A HN 1.564 nan 8.150 nan 0.000 0.497 279 V N 0.255 120.233 119.914 0.106 0.000 3.292 279 V HA -0.332 3.789 4.120 0.001 0.000 0.184 279 V C 1.793 177.873 176.094 -0.023 0.000 0.459 279 V CA 1.943 64.302 62.300 0.097 0.000 1.088 279 V CB -2.453 29.503 31.823 0.222 0.000 1.239 279 V HN 2.871 nan 8.190 nan 0.000 1.148 280 G N -2.941 105.842 108.800 -0.027 0.000 2.199 280 G HA2 -0.347 3.613 3.960 0.001 0.000 0.254 280 G HA3 -0.347 3.613 3.960 0.001 0.000 0.254 280 G C -0.063 174.751 174.900 -0.144 0.000 0.982 280 G CA 0.345 45.377 45.100 -0.113 0.000 0.632 280 G HN 0.783 nan 8.290 nan 0.000 0.529 281 Y N 2.078 122.394 120.300 0.026 0.000 2.296 281 Y HA 0.419 4.969 4.550 0.001 0.000 0.343 281 Y C 1.439 177.336 175.900 -0.006 0.000 1.292 281 Y CA 0.094 58.200 58.100 0.009 0.000 1.490 281 Y CB 0.363 38.838 38.460 0.024 0.000 1.359 281 Y HN 0.406 nan 8.280 nan 0.000 0.599 282 Q N 1.874 121.780 119.800 0.177 0.000 2.392 282 Q HA 0.106 4.447 4.340 0.001 0.000 0.262 282 Q C -2.386 173.655 176.000 0.069 0.000 1.003 282 Q CA -1.707 54.141 55.803 0.074 0.000 0.888 282 Q CB 0.616 29.368 28.738 0.024 0.000 1.260 282 Q HN 0.366 nan 8.270 nan 0.000 0.435 283 P HA -0.072 nan 4.420 nan 0.000 0.225 283 P C 0.872 178.189 177.300 0.028 0.000 1.148 283 P CA 1.459 64.581 63.100 0.036 0.000 0.779 283 P CB 0.019 31.734 31.700 0.025 0.000 0.780 284 T N -4.476 110.090 114.554 0.020 0.000 3.145 284 T HA 0.171 4.522 4.350 0.001 0.000 0.255 284 T C 1.422 176.131 174.700 0.015 0.000 1.039 284 T CA -0.334 61.775 62.100 0.016 0.000 0.928 284 T CB -0.986 67.885 68.868 0.006 0.000 1.029 284 T HN -0.033 nan 8.240 nan 0.000 0.554 285 L N 0.952 122.182 121.223 0.012 0.000 2.021 285 L HA -0.097 4.243 4.340 0.001 0.000 0.215 285 L C 2.734 179.615 176.870 0.017 0.000 1.074 285 L CA 2.153 56.986 54.840 -0.012 0.000 0.760 285 L CB -0.637 41.395 42.059 -0.045 0.000 0.889 285 L HN 0.433 nan 8.230 nan 0.000 0.433 286 A N -0.896 121.946 122.820 0.037 0.000 1.874 286 A HA -0.146 4.174 4.320 0.001 0.000 0.214 286 A C 2.294 179.933 177.584 0.092 0.000 1.189 286 A CA 1.688 53.768 52.037 0.072 0.000 0.615 286 A CB -1.099 17.941 19.000 0.067 0.000 0.830 286 A HN 0.593 nan 8.150 nan 0.000 0.443 287 T N -1.739 112.858 114.554 0.070 0.000 2.867 287 T HA -0.131 4.219 4.350 0.001 0.000 0.268 287 T C 1.283 176.035 174.700 0.087 0.000 1.057 287 T CA 1.478 63.621 62.100 0.071 0.000 1.136 287 T CB -0.456 68.442 68.868 0.049 0.000 0.874 287 T HN 0.310 nan 8.240 nan 0.000 0.466 288 D N 0.894 121.352 120.400 0.097 0.000 2.123 288 D HA -0.025 4.615 4.640 0.001 0.000 0.196 288 D C 1.920 178.365 176.300 0.241 0.000 0.992 288 D CA 0.994 55.094 54.000 0.167 0.000 0.833 288 D CB -0.353 40.512 40.800 0.109 0.000 0.954 288 D HN 0.357 nan 8.370 nan 0.000 0.455 289 M N -0.112 119.599 119.600 0.184 0.000 2.254 289 M HA -0.011 4.470 4.480 0.001 0.000 0.265 289 M C 1.952 178.212 176.300 -0.066 0.000 1.066 289 M CA 1.388 56.746 55.300 0.097 0.000 1.123 289 M CB 0.018 32.654 32.600 0.061 0.000 1.388 289 M HN 0.028 nan 8.290 nan 0.000 0.425 290 G N 0.536 109.370 108.800 0.058 0.000 2.402 290 G HA2 -0.177 3.783 3.960 0.001 0.000 0.216 290 G HA3 -0.177 3.783 3.960 0.001 0.000 0.216 290 G C 1.384 176.306 174.900 0.035 0.000 1.162 290 G CA 0.498 45.667 45.100 0.114 0.000 0.777 290 G HN 0.413 nan 8.290 nan 0.000 0.539 291 L N -0.428 120.816 121.223 0.034 0.000 2.046 291 L HA -0.035 4.306 4.340 0.001 0.000 0.208 291 L C 2.662 179.504 176.870 -0.047 0.000 1.077 291 L CA 0.675 55.527 54.840 0.020 0.000 0.747 291 L CB -0.316 41.779 42.059 0.059 0.000 0.896 291 L HN 0.271 nan 8.230 nan 0.000 0.432 292 L N -1.017 120.128 121.223 -0.129 0.000 2.007 292 L HA -0.159 4.181 4.340 0.001 0.000 0.205 292 L C 2.612 179.338 176.870 -0.239 0.000 1.073 292 L CA 1.670 56.345 54.840 -0.274 0.000 0.744 292 L CB -0.629 41.067 42.059 -0.605 0.000 0.898 292 L HN 0.169 nan 8.230 nan 0.000 0.435 293 Q N -0.030 119.606 119.800 -0.273 0.000 2.124 293 Q HA -0.179 4.161 4.340 0.001 0.000 0.202 293 Q C 2.015 177.963 176.000 -0.086 0.000 0.977 293 Q CA 1.373 57.020 55.803 -0.260 0.000 0.850 293 Q CB -0.351 28.034 28.738 -0.588 0.000 0.901 293 Q HN 0.602 nan 8.270 nan 0.000 0.429 294 E N 0.367 120.557 120.200 -0.017 0.000 2.478 294 E HA -0.087 4.263 4.350 0.001 0.000 0.198 294 E C 1.750 178.350 176.600 -0.001 0.000 1.046 294 E CA 0.336 56.759 56.400 0.038 0.000 0.870 294 E CB 0.056 29.797 29.700 0.069 0.000 0.818 294 E HN 0.310 nan 8.360 nan 0.000 0.527 295 R N 0.019 120.494 120.500 -0.041 0.000 2.112 295 R HA 0.175 4.515 4.340 0.001 0.000 0.216 295 R C 1.047 177.312 176.300 -0.059 0.000 1.080 295 R CA 0.193 56.264 56.100 -0.048 0.000 0.996 295 R CB 0.198 30.457 30.300 -0.068 0.000 0.902 295 R HN 0.058 nan 8.270 nan 0.000 0.449 296 I N 2.181 122.701 120.570 -0.083 0.000 2.455 296 I HA -0.001 4.170 4.170 0.001 0.000 0.303 296 I C 0.096 176.176 176.117 -0.061 0.000 1.180 296 I CA 0.464 61.710 61.300 -0.090 0.000 1.469 296 I CB 0.048 37.971 38.000 -0.128 0.000 1.480 296 I HN 0.026 nan 8.210 nan 0.000 0.669 297 T N 2.794 117.321 114.554 -0.046 0.000 2.786 297 T HA 0.247 4.598 4.350 0.001 0.000 0.316 297 T C -0.486 174.197 174.700 -0.027 0.000 1.503 297 T CA -0.411 61.671 62.100 -0.031 0.000 1.019 297 T CB 1.801 70.661 68.868 -0.014 0.000 1.415 297 T HN 0.272 nan 8.240 nan 0.000 0.496 298 T N 2.822 117.361 114.554 -0.025 0.000 2.817 298 T HA 0.550 4.901 4.350 0.001 0.000 0.293 298 T C 0.187 174.872 174.700 -0.025 0.000 0.964 298 T CA -0.006 62.081 62.100 -0.022 0.000 1.085 298 T CB 1.075 69.931 68.868 -0.020 0.000 0.921 298 T HN 0.715 nan 8.240 nan 0.000 0.502 299 T N 1.576 116.116 114.554 -0.023 0.000 2.844 299 T HA 0.385 4.735 4.350 0.001 0.000 0.274 299 T C 1.264 175.945 174.700 -0.031 0.000 0.991 299 T CA -0.700 61.382 62.100 -0.029 0.000 0.983 299 T CB 0.937 69.791 68.868 -0.023 0.000 1.310 299 T HN 0.520 nan 8.240 nan 0.000 0.596 300 K N -0.118 120.260 120.400 -0.036 0.000 2.296 300 K HA 0.109 4.430 4.320 0.001 0.000 0.200 300 K C 2.109 178.693 176.600 -0.027 0.000 1.048 300 K CA 0.714 56.980 56.287 -0.035 0.000 0.966 300 K CB 0.081 32.557 32.500 -0.041 0.000 0.754 300 K HN 0.380 nan 8.250 nan 0.000 0.466 301 K N -0.212 120.174 120.400 -0.023 0.000 2.103 301 K HA -0.011 4.310 4.320 0.001 0.000 0.204 301 K C 0.814 177.404 176.600 -0.018 0.000 1.052 301 K CA 0.889 57.163 56.287 -0.021 0.000 0.945 301 K CB 0.383 32.870 32.500 -0.021 0.000 0.722 301 K HN 0.183 nan 8.250 nan 0.000 0.443 302 G N -0.809 107.983 108.800 -0.014 0.000 2.523 302 G HA2 0.265 4.225 3.960 0.001 0.000 0.291 302 G HA3 0.265 4.225 3.960 0.001 0.000 0.291 302 G C -1.728 173.171 174.900 -0.001 0.000 1.450 302 G CA -0.657 44.440 45.100 -0.006 0.000 0.790 302 G HN -0.053 nan 8.290 nan 0.000 0.496 303 S N -0.973 114.732 115.700 0.007 0.000 2.475 303 S HA 0.731 5.202 4.470 0.001 0.000 0.298 303 S C -0.544 174.067 174.600 0.018 0.000 1.119 303 S CA -0.533 57.672 58.200 0.009 0.000 1.085 303 S CB 1.383 64.592 63.200 0.014 0.000 1.028 303 S HN 0.978 nan 8.310 nan 0.000 0.489 304 V N 4.255 124.166 119.914 -0.004 0.000 2.540 304 V HA 0.479 4.599 4.120 0.001 0.000 0.302 304 V C -0.126 175.932 176.094 -0.061 0.000 1.035 304 V CA -0.704 61.582 62.300 -0.024 0.000 0.873 304 V CB 1.968 33.772 31.823 -0.033 0.000 0.992 304 V HN 0.951 nan 8.190 nan 0.000 0.428 305 T N 3.729 118.221 114.554 -0.104 0.000 2.770 305 T HA 0.445 4.795 4.350 0.001 0.000 0.297 305 T C 0.082 174.620 174.700 -0.270 0.000 0.997 305 T CA -0.343 61.661 62.100 -0.160 0.000 0.949 305 T CB 0.814 69.585 68.868 -0.162 0.000 0.941 305 T HN 0.850 nan 8.240 nan 0.000 0.457 306 S N 2.289 117.835 115.700 -0.257 0.000 2.509 306 S HA 0.811 5.281 4.470 0.001 0.000 0.297 306 S C -0.495 173.890 174.600 -0.359 0.000 1.118 306 S CA -0.798 57.207 58.200 -0.325 0.000 1.074 306 S CB 1.552 64.613 63.200 -0.232 0.000 1.038 306 S HN 0.373 nan 8.310 nan 0.000 0.498 307 V N 2.596 122.251 119.914 -0.431 0.000 2.525 307 V HA 0.466 4.586 4.120 0.001 0.000 0.299 307 V C -0.821 175.154 176.094 -0.198 0.000 1.034 307 V CA -0.542 61.574 62.300 -0.308 0.000 0.863 307 V CB 1.536 33.209 31.823 -0.250 0.000 0.999 307 V HN 0.976 nan 8.190 nan 0.000 0.423 308 Q N 3.077 122.770 119.800 -0.178 0.000 2.310 308 Q HA 0.722 5.062 4.340 0.001 0.000 0.270 308 Q C -0.288 175.613 176.000 -0.164 0.000 1.025 308 Q CA -0.574 55.126 55.803 -0.171 0.000 0.772 308 Q CB 2.577 31.189 28.738 -0.211 0.000 1.253 308 Q HN 0.892 nan 8.270 nan 0.000 0.450 309 A N 2.316 125.081 122.820 -0.092 0.000 2.440 309 A HA 0.445 4.766 4.320 0.001 0.000 0.251 309 A C -0.199 177.296 177.584 -0.149 0.000 1.089 309 A CA -0.227 51.763 52.037 -0.078 0.000 0.779 309 A CB 0.432 19.454 19.000 0.036 0.000 1.022 309 A HN 0.503 nan 8.150 nan 0.000 0.492 310 V N 4.240 123.994 119.914 -0.267 0.000 2.340 310 V HA 0.148 4.268 4.120 0.001 0.000 0.277 310 V C -0.437 175.543 176.094 -0.190 0.000 1.017 310 V CA -0.527 61.565 62.300 -0.347 0.000 0.820 310 V CB 0.363 31.587 31.823 -0.998 0.000 1.028 310 V HN 0.841 nan 8.190 nan 0.000 0.436 311 Y N 5.008 125.224 120.300 -0.140 0.000 2.683 311 Y HA 0.343 4.894 4.550 0.001 0.000 0.340 311 Y C -0.008 175.692 175.900 -0.334 0.000 1.245 311 Y CA 0.390 58.360 58.100 -0.217 0.000 1.485 311 Y CB 0.947 39.255 38.460 -0.252 0.000 1.328 311 Y HN 0.365 nan 8.280 nan 0.000 0.603 312 V N 8.094 127.339 119.914 -1.115 0.000 2.357 312 V HA 0.269 4.389 4.120 0.001 0.000 0.281 312 V C -2.368 173.078 176.094 -1.080 0.000 1.015 312 V CA -2.065 59.785 62.300 -0.750 0.000 0.827 312 V CB 1.205 32.865 31.823 -0.272 0.000 1.018 312 V HN 0.715 nan 8.190 nan 0.000 0.432 313 P HA 0.074 nan 4.420 nan 0.000 0.258 313 P C 0.677 177.861 177.300 -0.192 0.000 1.187 313 P CA 0.984 63.850 63.100 -0.389 0.000 0.767 313 P CB 0.443 32.121 31.700 -0.037 0.000 0.770 314 A N 4.401 127.158 122.820 -0.106 0.000 2.832 314 A HA -0.257 4.064 4.320 0.001 0.000 0.280 314 A C 1.078 178.622 177.584 -0.066 0.000 1.464 314 A CA 1.143 53.159 52.037 -0.035 0.000 0.804 314 A CB -2.489 16.517 19.000 0.010 0.000 1.020 314 A HN 0.606 nan 8.150 nan 0.000 0.563 315 D N -1.979 118.339 120.400 -0.135 0.000 3.006 315 D HA -0.199 4.442 4.640 0.001 0.000 0.208 315 D C -0.077 176.183 176.300 -0.067 0.000 1.116 315 D CA 2.149 56.090 54.000 -0.100 0.000 0.998 315 D CB -1.263 39.509 40.800 -0.046 0.000 1.124 315 D HN 0.988 nan 8.370 nan 0.000 0.413 316 D N 0.436 120.798 120.400 -0.062 0.000 2.374 316 D HA 0.150 4.790 4.640 0.001 0.000 0.240 316 D C 1.449 177.751 176.300 0.004 0.000 1.229 316 D CA -0.162 53.827 54.000 -0.019 0.000 0.895 316 D CB 0.089 40.890 40.800 0.002 0.000 1.046 316 D HN 0.185 nan 8.370 nan 0.000 0.498 317 L N 2.735 123.973 121.223 0.024 0.000 2.549 317 L HA -0.072 4.269 4.340 0.001 0.000 0.229 317 L C 2.026 178.955 176.870 0.099 0.000 1.158 317 L CA 1.168 56.064 54.840 0.093 0.000 0.842 317 L CB -0.430 41.669 42.059 0.067 0.000 0.952 317 L HN 0.487 nan 8.230 nan 0.000 0.452 318 T N -5.846 108.738 114.554 0.049 0.000 3.069 318 T HA 0.027 4.377 4.350 0.001 0.000 0.252 318 T C 0.492 175.237 174.700 0.075 0.000 1.053 318 T CA -0.491 61.634 62.100 0.042 0.000 0.964 318 T CB -0.263 68.609 68.868 0.007 0.000 1.005 318 T HN 0.115 nan 8.240 nan 0.000 0.532 319 D N 3.086 123.544 120.400 0.096 0.000 2.520 319 D HA 0.115 4.756 4.640 0.001 0.000 0.243 319 D C -1.294 175.079 176.300 0.121 0.000 1.160 319 D CA -1.436 52.648 54.000 0.141 0.000 0.877 319 D CB 0.997 41.892 40.800 0.158 0.000 1.150 319 D HN -0.021 nan 8.370 nan 0.000 0.494 320 P HA -0.334 nan 4.420 nan 0.000 0.222 320 P C 0.727 177.971 177.300 -0.095 0.000 1.155 320 P CA 2.237 65.316 63.100 -0.036 0.000 0.890 320 P CB 0.075 31.700 31.700 -0.124 0.000 0.790 321 A N -0.605 122.110 122.820 -0.176 0.000 1.841 321 A HA -0.095 4.225 4.320 0.001 0.000 0.214 321 A C -0.016 177.655 177.584 0.146 0.000 1.195 321 A CA 2.187 54.187 52.037 -0.062 0.000 0.611 321 A CB -2.174 16.901 19.000 0.125 0.000 0.835 321 A HN 0.231 nan 8.150 nan 0.000 0.443 322 P HA -0.077 nan 4.420 nan 0.000 0.219 322 P C 1.539 179.109 177.300 0.451 0.000 1.150 322 P CA 1.840 65.128 63.100 0.314 0.000 0.814 322 P CB -0.172 31.736 31.700 0.348 0.000 0.787 323 A N 0.102 123.134 122.820 0.354 0.000 1.978 323 A HA -0.132 4.189 4.320 0.001 0.000 0.220 323 A C 2.158 179.920 177.584 0.296 0.000 1.170 323 A CA 2.229 54.470 52.037 0.341 0.000 0.636 323 A CB -1.885 17.208 19.000 0.155 0.000 0.810 323 A HN 0.224 nan 8.150 nan 0.000 0.448 324 T N -0.538 114.143 114.554 0.211 0.000 3.085 324 T HA -0.014 4.337 4.350 0.001 0.000 0.263 324 T C 1.650 176.528 174.700 0.296 0.000 1.127 324 T CA 1.482 63.701 62.100 0.197 0.000 1.103 324 T CB -0.167 68.774 68.868 0.122 0.000 0.921 324 T HN 0.553 nan 8.240 nan 0.000 0.510 325 T N 1.337 116.077 114.554 0.309 0.000 3.009 325 T HA 0.140 4.491 4.350 0.001 0.000 0.258 325 T C 1.475 176.387 174.700 0.353 0.000 1.063 325 T CA 0.269 62.538 62.100 0.282 0.000 1.139 325 T CB -0.379 68.552 68.868 0.106 0.000 0.890 325 T HN 0.263 nan 8.240 nan 0.000 0.471 326 F N 2.323 122.473 119.950 0.333 0.000 2.087 326 F HA -0.155 4.373 4.527 0.001 0.000 0.299 326 F C 2.549 178.415 175.800 0.109 0.000 1.100 326 F CA 1.299 59.407 58.000 0.180 0.000 1.226 326 F CB -0.485 38.489 39.000 -0.043 0.000 0.983 326 F HN 0.157 nan 8.300 nan 0.000 0.479 327 A N -2.044 120.916 122.820 0.233 0.000 2.235 327 A HA -0.055 4.266 4.320 0.001 0.000 0.208 327 A C 1.387 178.912 177.584 -0.099 0.000 1.172 327 A CA 0.570 52.630 52.037 0.038 0.000 0.786 327 A CB -0.919 18.054 19.000 -0.046 0.000 0.804 327 A HN 0.472 nan 8.150 nan 0.000 0.479 328 H N -1.079 118.042 119.070 0.085 0.000 2.551 328 H HA 0.334 4.890 4.556 0.001 0.000 0.271 328 H C -0.325 175.017 175.328 0.023 0.000 0.984 328 H CA 0.217 56.289 56.048 0.040 0.000 1.164 328 H CB 0.308 30.081 29.762 0.019 0.000 1.437 328 H HN 0.342 nan 8.280 nan 0.000 0.550 329 L N 0.341 121.645 121.223 0.135 0.000 2.330 329 L HA 0.218 4.558 4.340 0.001 0.000 0.271 329 L C 0.911 177.816 176.870 0.059 0.000 1.013 329 L CA -0.513 54.377 54.840 0.083 0.000 0.816 329 L CB 2.006 44.127 42.059 0.102 0.000 1.287 329 L HN -0.092 nan 8.230 nan 0.000 0.435 330 D N 1.080 121.496 120.400 0.027 0.000 2.366 330 D HA 0.216 4.857 4.640 0.001 0.000 0.205 330 D C 0.137 176.462 176.300 0.042 0.000 1.022 330 D CA 0.506 54.523 54.000 0.028 0.000 0.868 330 D CB 1.131 41.938 40.800 0.011 0.000 0.953 330 D HN 0.506 nan 8.370 nan 0.000 0.514 331 A N 0.670 123.507 122.820 0.029 0.000 2.459 331 A HA 0.520 4.840 4.320 0.001 0.000 0.296 331 A C -0.604 177.015 177.584 0.058 0.000 1.039 331 A CA -0.657 51.417 52.037 0.061 0.000 0.698 331 A CB 1.477 20.529 19.000 0.088 0.000 1.261 331 A HN -0.043 nan 8.150 nan 0.000 0.405 332 T N -0.256 114.368 114.554 0.116 0.000 2.892 332 T HA 0.581 4.932 4.350 0.001 0.000 0.311 332 T C -0.384 174.402 174.700 0.144 0.000 1.033 332 T CA -0.396 61.789 62.100 0.142 0.000 0.991 332 T CB 0.661 69.605 68.868 0.126 0.000 0.981 332 T HN 0.486 nan 8.240 nan 0.000 0.457 333 T N 3.786 118.424 114.554 0.140 0.000 2.723 333 T HA 0.425 4.775 4.350 0.001 0.000 0.297 333 T C 0.300 175.044 174.700 0.074 0.000 0.925 333 T CA -0.520 61.630 62.100 0.083 0.000 1.030 333 T CB 0.448 69.297 68.868 -0.033 0.000 0.905 333 T HN 0.633 nan 8.240 nan 0.000 0.502 334 V N 5.960 125.919 119.914 0.074 0.000 2.333 334 V HA 0.359 4.480 4.120 0.001 0.000 0.274 334 V C 0.305 176.433 176.094 0.058 0.000 1.028 334 V CA -0.862 61.493 62.300 0.092 0.000 0.851 334 V CB 0.452 32.315 31.823 0.067 0.000 1.000 334 V HN 0.749 nan 8.190 nan 0.000 0.456 335 L N 3.564 124.825 121.223 0.062 0.000 2.399 335 L HA 0.652 4.992 4.340 0.001 0.000 0.266 335 L C 0.461 177.360 176.870 0.048 0.000 1.114 335 L CA 0.127 55.001 54.840 0.055 0.000 0.804 335 L CB 1.643 43.744 42.059 0.070 0.000 1.146 335 L HN 0.710 nan 8.230 nan 0.000 0.451 336 S N 0.673 116.393 115.700 0.033 0.000 2.547 336 S HA 0.354 4.824 4.470 0.001 0.000 0.281 336 S C 0.445 175.043 174.600 -0.002 0.000 1.118 336 S CA -0.776 57.431 58.200 0.011 0.000 0.947 336 S CB 1.914 65.114 63.200 -0.000 0.000 1.053 336 S HN 0.702 nan 8.310 nan 0.000 0.482 337 R N 3.196 123.695 120.500 -0.002 0.000 2.066 337 R HA 0.032 4.372 4.340 0.001 0.000 0.232 337 R C 2.119 178.406 176.300 -0.022 0.000 1.131 337 R CA 2.021 58.119 56.100 -0.003 0.000 0.955 337 R CB -1.053 29.248 30.300 0.003 0.000 0.851 337 R HN 0.818 nan 8.270 nan 0.000 0.432 338 G N 1.362 110.147 108.800 -0.025 0.000 2.450 338 G HA2 -0.204 3.756 3.960 0.001 0.000 0.220 338 G HA3 -0.204 3.756 3.960 0.001 0.000 0.220 338 G C 1.325 176.198 174.900 -0.045 0.000 1.130 338 G CA 0.803 45.884 45.100 -0.033 0.000 0.760 338 G HN 0.225 nan 8.290 nan 0.000 0.557 339 I N 1.919 122.457 120.570 -0.053 0.000 2.277 339 I HA -0.113 4.058 4.170 0.001 0.000 0.243 339 I C 3.156 179.174 176.117 -0.165 0.000 1.094 339 I CA 1.623 62.877 61.300 -0.077 0.000 1.393 339 I CB -1.377 36.589 38.000 -0.056 0.000 1.078 339 I HN 0.372 nan 8.210 nan 0.000 0.417 340 S N 1.298 116.878 115.700 -0.200 0.000 2.359 340 S HA -0.246 4.224 4.470 0.001 0.000 0.224 340 S C 1.827 176.293 174.600 -0.223 0.000 1.035 340 S CA 1.565 59.541 58.200 -0.373 0.000 1.018 340 S CB -0.742 62.371 63.200 -0.145 0.000 0.876 340 S HN 0.486 nan 8.310 nan 0.000 0.448 341 E N 0.949 121.096 120.200 -0.088 0.000 2.204 341 E HA 0.023 4.374 4.350 0.001 0.000 0.195 341 E C 1.698 178.276 176.600 -0.036 0.000 0.990 341 E CA 1.000 57.380 56.400 -0.034 0.000 0.821 341 E CB -0.343 29.349 29.700 -0.013 0.000 0.750 341 E HN 0.556 nan 8.360 nan 0.000 0.477 342 L N -0.317 120.870 121.223 -0.060 0.000 2.610 342 L HA 0.055 4.396 4.340 0.001 0.000 0.232 342 L C 1.265 178.105 176.870 -0.051 0.000 1.149 342 L CA 0.372 55.185 54.840 -0.045 0.000 0.872 342 L CB -0.289 41.751 42.059 -0.031 0.000 0.992 342 L HN 0.311 nan 8.230 nan 0.000 0.447 343 G N 0.713 109.478 108.800 -0.059 0.000 2.153 343 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 343 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 343 G C 0.242 175.200 174.900 0.098 0.000 0.994 343 G CA -0.221 44.901 45.100 0.036 0.000 0.698 343 G HN 0.242 nan 8.290 nan 0.000 0.521 344 I N 0.644 121.150 120.570 -0.107 0.000 2.297 344 I HA 0.473 4.644 4.170 0.001 0.000 0.291 344 I C -0.162 175.777 176.117 -0.296 0.000 1.033 344 I CA -0.694 60.591 61.300 -0.025 0.000 1.253 344 I CB 0.280 38.286 38.000 0.009 0.000 1.396 344 I HN 0.020 nan 8.210 nan 0.000 0.476 345 Y N 6.886 127.212 120.300 0.042 0.000 2.485 345 Y HA 0.451 5.001 4.550 0.001 0.000 0.345 345 Y C -2.096 173.681 175.900 -0.205 0.000 0.998 345 Y CA -2.631 55.438 58.100 -0.052 0.000 1.059 345 Y CB 1.750 40.163 38.460 -0.078 0.000 1.234 345 Y HN 0.405 nan 8.280 nan 0.000 0.461 346 P HA 0.078 nan 4.420 nan 0.000 0.271 346 P C -0.422 176.995 177.300 0.195 0.000 1.218 346 P CA -0.153 63.097 63.100 0.250 0.000 0.780 346 P CB 0.953 32.963 31.700 0.516 0.000 0.901 347 A N 3.380 126.306 122.820 0.177 0.000 2.810 347 A HA 0.191 4.511 4.320 0.001 0.000 0.247 347 A C 0.489 178.116 177.584 0.072 0.000 1.576 347 A CA -0.262 51.786 52.037 0.017 0.000 1.294 347 A CB -1.249 17.714 19.000 -0.062 0.000 0.976 347 A HN 0.374 nan 8.150 nan 0.000 0.631 348 V N 1.340 121.324 119.914 0.118 0.000 2.508 348 V HA 0.029 4.150 4.120 0.001 0.000 0.281 348 V C 0.482 176.610 176.094 0.056 0.000 1.041 348 V CA -0.494 61.866 62.300 0.100 0.000 1.016 348 V CB 1.024 32.937 31.823 0.150 0.000 0.984 348 V HN 0.590 nan 8.190 nan 0.000 0.478 349 D N 8.544 128.966 120.400 0.037 0.000 2.348 349 D HA 0.111 4.752 4.640 0.001 0.000 0.259 349 D C -1.162 175.145 176.300 0.012 0.000 1.296 349 D CA -1.860 52.150 54.000 0.018 0.000 0.931 349 D CB 1.614 42.419 40.800 0.009 0.000 1.067 349 D HN 0.301 nan 8.370 nan 0.000 0.503 350 P HA -0.096 nan 4.420 nan 0.000 0.225 350 P C 1.367 178.655 177.300 -0.020 0.000 1.148 350 P CA 0.667 63.762 63.100 -0.009 0.000 0.779 350 P CB 0.493 32.186 31.700 -0.012 0.000 0.780 351 L N -1.036 120.176 121.223 -0.018 0.000 2.388 351 L HA 0.157 4.497 4.340 0.001 0.000 0.209 351 L C 2.065 178.916 176.870 -0.031 0.000 1.061 351 L CA 0.721 55.545 54.840 -0.027 0.000 0.834 351 L CB -0.486 41.556 42.059 -0.028 0.000 1.029 351 L HN -0.128 nan 8.230 nan 0.000 0.473 352 D N -0.185 120.199 120.400 -0.027 0.000 2.349 352 D HA 0.007 4.648 4.640 0.001 0.000 0.215 352 D C 0.316 176.608 176.300 -0.013 0.000 1.016 352 D CA 0.241 54.219 54.000 -0.036 0.000 0.870 352 D CB 0.416 41.194 40.800 -0.038 0.000 0.917 352 D HN 0.001 nan 8.370 nan 0.000 0.524 353 S N 0.443 116.148 115.700 0.008 0.000 2.480 353 S HA 0.408 4.878 4.470 0.001 0.000 0.286 353 S C 0.016 174.639 174.600 0.038 0.000 1.180 353 S CA -0.597 57.626 58.200 0.039 0.000 1.075 353 S CB 1.890 65.124 63.200 0.057 0.000 0.996 353 S HN 0.017 nan 8.310 nan 0.000 0.487 354 K N 1.147 121.582 120.400 0.058 0.000 2.400 354 K HA 0.710 5.030 4.320 0.001 0.000 0.246 354 K C -0.755 175.893 176.600 0.080 0.000 0.995 354 K CA -0.793 55.524 56.287 0.050 0.000 0.840 354 K CB 2.081 34.599 32.500 0.029 0.000 1.293 354 K HN 0.508 nan 8.250 nan 0.000 0.445 355 S N 0.175 115.915 115.700 0.067 0.000 2.546 355 S HA 0.238 4.709 4.470 0.001 0.000 0.272 355 S C 0.301 174.937 174.600 0.060 0.000 1.140 355 S CA -0.689 57.560 58.200 0.081 0.000 0.920 355 S CB 1.704 64.964 63.200 0.100 0.000 1.083 355 S HN 0.702 nan 8.310 nan 0.000 0.476 356 R N 2.487 123.021 120.500 0.056 0.000 2.200 356 R HA 0.054 4.394 4.340 0.001 0.000 0.234 356 R C 1.202 177.525 176.300 0.037 0.000 1.127 356 R CA 1.293 57.418 56.100 0.042 0.000 0.989 356 R CB -0.244 30.078 30.300 0.036 0.000 0.869 356 R HN 0.691 nan 8.270 nan 0.000 0.459 357 L N 0.211 121.459 121.223 0.042 0.000 2.477 357 L HA 0.032 4.372 4.340 0.001 0.000 0.220 357 L C 0.587 177.462 176.870 0.009 0.000 1.106 357 L CA -0.269 54.587 54.840 0.026 0.000 0.851 357 L CB 0.026 42.106 42.059 0.035 0.000 0.994 357 L HN 0.102 nan 8.230 nan 0.000 0.462 358 L N 2.133 123.371 121.223 0.024 0.000 2.574 358 L HA 0.131 4.472 4.340 0.001 0.000 0.281 358 L C -0.581 176.391 176.870 0.171 0.000 1.212 358 L CA 0.810 55.674 54.840 0.039 0.000 1.082 358 L CB -0.791 41.279 42.059 0.017 0.000 1.362 358 L HN 0.042 nan 8.230 nan 0.000 0.451 359 D N 2.469 122.944 120.400 0.125 0.000 2.931 359 D HA 0.270 4.910 4.640 0.001 0.000 0.215 359 D C 0.571 176.813 176.300 -0.097 0.000 1.297 359 D CA 0.161 54.160 54.000 -0.002 0.000 0.892 359 D CB 1.808 42.595 40.800 -0.022 0.000 1.642 359 D HN 0.325 nan 8.370 nan 0.000 0.560 360 A N 3.435 126.051 122.820 -0.340 0.000 1.917 360 A HA -0.047 4.274 4.320 0.001 0.000 0.219 360 A C 2.125 179.643 177.584 -0.110 0.000 1.182 360 A CA 2.476 54.369 52.037 -0.240 0.000 0.633 360 A CB -0.764 18.019 19.000 -0.361 0.000 0.819 360 A HN 0.787 nan 8.150 nan 0.000 0.448 361 A N -1.029 121.725 122.820 -0.111 0.000 2.032 361 A HA 0.027 4.347 4.320 0.001 0.000 0.221 361 A C 2.135 179.698 177.584 -0.035 0.000 1.165 361 A CA 2.056 54.056 52.037 -0.062 0.000 0.645 361 A CB -0.564 18.402 19.000 -0.057 0.000 0.807 361 A HN 0.435 nan 8.150 nan 0.000 0.453 362 V N -0.800 119.093 119.914 -0.034 0.000 2.490 362 V HA -0.083 4.037 4.120 0.001 0.000 0.238 362 V C 2.411 178.500 176.094 -0.008 0.000 1.056 362 V CA 1.435 63.725 62.300 -0.016 0.000 1.075 362 V CB -0.336 31.478 31.823 -0.016 0.000 0.746 362 V HN 0.501 nan 8.190 nan 0.000 0.479 363 V N -1.140 118.754 119.914 -0.034 0.000 3.406 363 V HA 0.625 4.746 4.120 0.001 0.000 0.263 363 V C 0.904 177.044 176.094 0.076 0.000 1.172 363 V CA 0.372 62.651 62.300 -0.034 0.000 1.140 363 V CB -0.913 30.683 31.823 -0.377 0.000 0.784 363 V HN 0.955 nan 8.190 nan 0.000 0.467 364 G N 0.399 109.232 108.800 0.054 0.000 2.712 364 G HA2 -0.175 3.785 3.960 0.001 0.000 0.686 364 G HA3 -0.175 3.785 3.960 0.001 0.000 0.686 364 G C -0.172 174.794 174.900 0.110 0.000 1.181 364 G CA 0.209 45.357 45.100 0.080 0.000 0.762 364 G HN 0.465 nan 8.290 nan 0.000 0.641 365 Q N 0.329 120.176 119.800 0.077 0.000 2.135 365 Q HA -0.093 4.248 4.340 0.001 0.000 0.204 365 Q C 2.342 178.442 176.000 0.167 0.000 0.981 365 Q CA 2.919 58.778 55.803 0.094 0.000 0.856 365 Q CB -0.208 28.559 28.738 0.048 0.000 0.902 365 Q HN 0.873 nan 8.270 nan 0.000 0.425 366 E N -1.141 119.146 120.200 0.145 0.000 2.023 366 E HA -0.295 4.056 4.350 0.001 0.000 0.196 366 E C 1.974 178.694 176.600 0.201 0.000 1.003 366 E CA 1.333 57.820 56.400 0.145 0.000 0.809 366 E CB -0.427 29.339 29.700 0.109 0.000 0.755 366 E HN 0.561 nan 8.360 nan 0.000 0.449 367 H N -0.361 118.766 119.070 0.095 0.000 2.319 367 H HA -0.233 4.323 4.556 0.001 0.000 0.297 367 H C 1.901 177.280 175.328 0.086 0.000 1.097 367 H CA 2.142 58.237 56.048 0.080 0.000 1.285 367 H CB -0.741 29.067 29.762 0.076 0.000 1.368 367 H HN 0.403 nan 8.280 nan 0.000 0.495 368 Y N 1.302 121.697 120.300 0.159 0.000 2.181 368 Y HA -0.167 4.383 4.550 0.001 0.000 0.288 368 Y C 2.123 178.066 175.900 0.072 0.000 1.146 368 Y CA 1.998 60.130 58.100 0.053 0.000 1.164 368 Y CB -0.210 38.250 38.460 -0.000 0.000 0.982 368 Y HN 0.184 nan 8.280 nan 0.000 0.515 369 D N -0.651 119.877 120.400 0.212 0.000 2.144 369 D HA -0.176 4.464 4.640 0.001 0.000 0.199 369 D C 2.367 178.690 176.300 0.037 0.000 0.984 369 D CA 1.529 55.599 54.000 0.117 0.000 0.834 369 D CB -0.382 40.503 40.800 0.142 0.000 0.955 369 D HN 0.287 nan 8.370 nan 0.000 0.465 370 V N 1.146 121.100 119.914 0.067 0.000 2.295 370 V HA -0.231 3.889 4.120 0.001 0.000 0.246 370 V C 2.493 178.583 176.094 -0.006 0.000 1.049 370 V CA 1.814 64.145 62.300 0.052 0.000 1.024 370 V CB -0.868 30.996 31.823 0.068 0.000 0.648 370 V HN 0.194 nan 8.190 nan 0.000 0.447 371 A N -0.172 122.630 122.820 -0.029 0.000 1.883 371 A HA -0.241 4.080 4.320 0.001 0.000 0.217 371 A C 2.494 179.981 177.584 -0.161 0.000 1.186 371 A CA 2.451 54.423 52.037 -0.107 0.000 0.624 371 A CB -0.893 18.045 19.000 -0.105 0.000 0.822 371 A HN 0.511 nan 8.150 nan 0.000 0.444 372 S N -0.185 115.368 115.700 -0.244 0.000 2.365 372 S HA -0.201 4.269 4.470 0.001 0.000 0.225 372 S C 1.984 176.531 174.600 -0.088 0.000 1.039 372 S CA 1.806 59.881 58.200 -0.209 0.000 1.033 372 S CB -0.288 62.771 63.200 -0.236 0.000 0.887 372 S HN 0.627 nan 8.310 nan 0.000 0.447 373 K N 0.560 120.934 120.400 -0.044 0.000 2.057 373 K HA -0.006 4.315 4.320 0.001 0.000 0.206 373 K C 2.098 178.700 176.600 0.003 0.000 1.050 373 K CA 1.026 57.311 56.287 -0.003 0.000 0.935 373 K CB -0.448 32.068 32.500 0.025 0.000 0.715 373 K HN 0.144 nan 8.250 nan 0.000 0.439 374 V N 2.011 121.922 119.914 -0.005 0.000 2.324 374 V HA -0.314 3.807 4.120 0.001 0.000 0.250 374 V C 2.263 178.350 176.094 -0.012 0.000 1.060 374 V CA 1.825 64.125 62.300 -0.000 0.000 1.042 374 V CB -0.463 31.322 31.823 -0.063 0.000 0.650 374 V HN 0.384 nan 8.190 nan 0.000 0.450 375 Q N -0.749 119.027 119.800 -0.041 0.000 2.079 375 Q HA -0.213 4.128 4.340 0.001 0.000 0.200 375 Q C 2.301 178.294 176.000 -0.012 0.000 0.974 375 Q CA 1.621 57.403 55.803 -0.035 0.000 0.840 375 Q CB -0.138 28.562 28.738 -0.063 0.000 0.898 375 Q HN 0.703 nan 8.270 nan 0.000 0.430 376 E N -0.166 120.028 120.200 -0.010 0.000 2.077 376 E HA -0.141 4.209 4.350 0.001 0.000 0.193 376 E C 2.004 178.619 176.600 0.024 0.000 0.989 376 E CA 1.523 57.925 56.400 0.004 0.000 0.800 376 E CB 0.051 29.754 29.700 0.004 0.000 0.746 376 E HN 0.299 nan 8.360 nan 0.000 0.452 377 T N 1.615 116.187 114.554 0.030 0.000 2.652 377 T HA -0.150 4.200 4.350 0.001 0.000 0.267 377 T C 1.985 176.732 174.700 0.079 0.000 1.039 377 T CA 0.986 63.114 62.100 0.046 0.000 1.153 377 T CB -0.264 68.630 68.868 0.042 0.000 0.863 377 T HN 0.078 nan 8.240 nan 0.000 0.428 378 L N 0.743 122.012 121.223 0.077 0.000 2.056 378 L HA -0.115 4.225 4.340 0.001 0.000 0.207 378 L C 2.895 179.822 176.870 0.095 0.000 1.078 378 L CA 1.108 56.019 54.840 0.118 0.000 0.749 378 L CB -0.565 41.542 42.059 0.080 0.000 0.901 378 L HN 0.196 nan 8.230 nan 0.000 0.433 379 Q N 0.210 120.037 119.800 0.045 0.000 2.050 379 Q HA -0.174 4.166 4.340 0.001 0.000 0.202 379 Q C 2.098 178.116 176.000 0.029 0.000 0.980 379 Q CA 2.520 58.333 55.803 0.017 0.000 0.840 379 Q CB -0.547 28.191 28.738 0.001 0.000 0.898 379 Q HN 0.380 nan 8.270 nan 0.000 0.424 380 T N 0.112 114.698 114.554 0.054 0.000 2.759 380 T HA -0.189 4.162 4.350 0.001 0.000 0.269 380 T C 1.294 176.064 174.700 0.117 0.000 1.042 380 T CA 1.526 63.666 62.100 0.066 0.000 1.140 380 T CB -0.586 68.320 68.868 0.064 0.000 0.864 380 T HN 0.426 nan 8.240 nan 0.000 0.455 381 Y N 1.870 122.167 120.300 -0.006 0.000 2.220 381 Y HA 0.086 4.636 4.550 0.000 0.000 0.291 381 Y C 2.327 178.222 175.900 -0.008 0.000 1.129 381 Y CA 0.890 58.987 58.100 -0.006 0.000 1.161 381 Y CB -0.402 38.055 38.460 -0.005 0.000 0.997 381 Y HN 0.016 nan 8.280 nan 0.000 0.522 382 K N -0.372 119.929 120.400 -0.165 0.000 2.057 382 K HA -0.164 4.157 4.320 0.001 0.000 0.207 382 K C 2.314 178.821 176.600 -0.154 0.000 1.049 382 K CA 1.550 57.691 56.287 -0.243 0.000 0.931 382 K CB -0.185 32.236 32.500 -0.131 0.000 0.714 382 K HN 0.278 nan 8.250 nan 0.000 0.440 383 S N 1.305 116.963 115.700 -0.070 0.000 2.359 383 S HA -0.174 4.296 4.470 0.001 0.000 0.222 383 S C 1.828 176.407 174.600 -0.034 0.000 1.038 383 S CA 1.483 59.659 58.200 -0.039 0.000 1.051 383 S CB -0.296 62.899 63.200 -0.008 0.000 0.944 383 S HN 0.260 nan 8.310 nan 0.000 0.433 384 L N 1.281 122.502 121.223 -0.003 0.000 2.275 384 L HA -0.080 4.261 4.340 0.001 0.000 0.215 384 L C 2.546 179.415 176.870 -0.001 0.000 1.119 384 L CA 0.767 55.623 54.840 0.026 0.000 0.790 384 L CB -0.445 41.669 42.059 0.093 0.000 0.919 384 L HN 0.364 nan 8.230 nan 0.000 0.443 385 Q N 0.016 119.764 119.800 -0.087 0.000 2.368 385 Q HA -0.235 4.105 4.340 0.001 0.000 0.210 385 Q C 1.393 177.358 176.000 -0.058 0.000 0.982 385 Q CA 1.464 57.198 55.803 -0.114 0.000 0.884 385 Q CB -0.032 28.546 28.738 -0.266 0.000 0.933 385 Q HN 0.582 nan 8.270 nan 0.000 0.460 386 D N 0.342 120.714 120.400 -0.047 0.000 2.097 386 D HA -0.134 4.506 4.640 0.001 0.000 0.197 386 D C 1.626 177.919 176.300 -0.013 0.000 0.984 386 D CA 0.859 54.841 54.000 -0.030 0.000 0.826 386 D CB -0.147 40.636 40.800 -0.028 0.000 0.973 386 D HN 0.193 nan 8.370 nan 0.000 0.460 387 I N 0.928 121.496 120.570 -0.003 0.000 2.127 387 I HA -0.203 3.967 4.170 0.001 0.000 0.241 387 I C 1.423 177.549 176.117 0.015 0.000 1.075 387 I CA 0.775 62.080 61.300 0.008 0.000 1.334 387 I CB -0.079 37.930 38.000 0.015 0.000 1.040 387 I HN 0.019 nan 8.210 nan 0.000 0.405 388 I N 1.035 121.620 120.570 0.026 0.000 3.387 388 I HA -0.136 4.034 4.170 0.001 0.000 0.298 388 I C 1.725 177.857 176.117 0.025 0.000 1.311 388 I CA 0.834 62.158 61.300 0.040 0.000 1.318 388 I CB -1.902 36.150 38.000 0.086 0.000 1.023 388 I HN 0.223 nan 8.210 nan 0.000 0.540 389 A N -0.734 122.092 122.820 0.011 0.000 2.427 389 A HA 0.362 4.683 4.320 0.001 0.000 0.225 389 A C 1.721 179.307 177.584 0.004 0.000 1.257 389 A CA 0.048 52.088 52.037 0.005 0.000 0.985 389 A CB 0.366 19.363 19.000 -0.004 0.000 1.136 389 A HN 0.238 nan 8.150 nan 0.000 0.538 390 I N -1.858 118.715 120.570 0.004 0.000 4.197 390 I HA 0.237 4.408 4.170 0.001 0.000 0.307 390 I C 1.219 177.339 176.117 0.005 0.000 1.236 390 I CA 0.779 62.081 61.300 0.003 0.000 1.321 390 I CB 0.566 38.566 38.000 0.000 0.000 1.309 390 I HN 0.147 nan 8.210 nan 0.000 0.450 391 L N 0.017 121.244 121.223 0.008 0.000 2.693 391 L HA 0.516 4.856 4.340 0.001 0.000 0.235 391 L C 1.189 178.066 176.870 0.012 0.000 1.127 391 L CA 0.537 55.382 54.840 0.009 0.000 0.914 391 L CB -0.390 41.674 42.059 0.009 0.000 1.193 391 L HN 0.327 nan 8.230 nan 0.000 0.502 392 G N 0.161 108.970 108.800 0.015 0.000 2.552 392 G HA2 -0.449 3.512 3.960 0.001 0.000 0.265 392 G HA3 -0.449 3.512 3.960 0.001 0.000 0.265 392 G C 0.664 175.578 174.900 0.023 0.000 1.234 392 G CA 0.550 45.660 45.100 0.018 0.000 0.944 392 G HN 0.135 nan 8.290 nan 0.000 0.568 393 M N -0.928 118.685 119.600 0.021 0.000 2.466 393 M HA 0.267 4.747 4.480 0.001 0.000 0.265 393 M C 1.752 178.061 176.300 0.015 0.000 1.122 393 M CA 2.067 57.380 55.300 0.021 0.000 1.157 393 M CB -0.178 32.432 32.600 0.016 0.000 1.352 393 M HN 0.524 nan 8.290 nan 0.000 0.464 394 D N 0.106 120.512 120.400 0.011 0.000 2.263 394 D HA -0.164 4.476 4.640 0.001 0.000 0.208 394 D C 1.252 177.557 176.300 0.008 0.000 0.971 394 D CA 0.870 54.875 54.000 0.008 0.000 0.867 394 D CB 0.118 40.922 40.800 0.006 0.000 0.929 394 D HN 0.339 nan 8.370 nan 0.000 0.492 395 E N -0.545 119.661 120.200 0.010 0.000 2.437 395 E HA 0.104 4.455 4.350 0.001 0.000 0.189 395 E C -0.261 176.345 176.600 0.010 0.000 1.054 395 E CA -0.143 56.262 56.400 0.009 0.000 0.874 395 E CB -0.026 29.680 29.700 0.009 0.000 1.011 395 E HN 0.163 nan 8.360 nan 0.000 0.474 396 L N 0.924 122.154 121.223 0.012 0.000 2.350 396 L HA 0.259 4.599 4.340 0.001 0.000 0.275 396 L C 0.596 177.472 176.870 0.010 0.000 1.099 396 L CA -0.207 54.641 54.840 0.013 0.000 0.808 396 L CB 1.328 43.397 42.059 0.017 0.000 1.149 396 L HN 0.081 nan 8.230 nan 0.000 0.442 397 S N 1.972 117.678 115.700 0.010 0.000 2.566 397 S HA -0.021 4.450 4.470 0.001 0.000 0.280 397 S C 1.280 175.884 174.600 0.006 0.000 1.343 397 S CA -0.332 57.873 58.200 0.008 0.000 1.036 397 S CB 0.626 63.831 63.200 0.009 0.000 0.866 397 S HN 0.578 nan 8.310 nan 0.000 0.526 398 E N 2.391 122.593 120.200 0.004 0.000 2.038 398 E HA -0.203 4.147 4.350 0.001 0.000 0.195 398 E C 1.987 178.588 176.600 0.002 0.000 1.000 398 E CA 1.357 57.758 56.400 0.002 0.000 0.803 398 E CB -0.520 29.181 29.700 0.002 0.000 0.750 398 E HN 0.790 nan 8.360 nan 0.000 0.448 399 Q N 0.440 120.242 119.800 0.004 0.000 2.061 399 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 399 Q C 1.640 177.642 176.000 0.005 0.000 0.984 399 Q CA 1.608 57.414 55.803 0.005 0.000 0.846 399 Q CB -0.006 28.736 28.738 0.007 0.000 0.902 399 Q HN 0.198 nan 8.270 nan 0.000 0.421 400 D N 0.008 120.413 120.400 0.008 0.000 2.123 400 D HA -0.087 4.554 4.640 0.001 0.000 0.200 400 D C 1.805 178.107 176.300 0.004 0.000 0.976 400 D CA 0.869 54.876 54.000 0.012 0.000 0.831 400 D CB -0.009 40.803 40.800 0.019 0.000 0.974 400 D HN 0.170 nan 8.370 nan 0.000 0.469 401 K N 0.140 120.540 120.400 -0.000 0.000 2.044 401 K HA -0.176 4.144 4.320 0.001 0.000 0.210 401 K C 2.071 178.655 176.600 -0.026 0.000 1.049 401 K CA 0.696 56.977 56.287 -0.011 0.000 0.927 401 K CB -0.285 32.211 32.500 -0.007 0.000 0.713 401 K HN 0.038 nan 8.250 nan 0.000 0.443 402 L N 1.182 122.394 121.223 -0.018 0.000 2.012 402 L HA -0.216 4.125 4.340 0.001 0.000 0.210 402 L C 2.009 178.859 176.870 -0.033 0.000 1.073 402 L CA 1.982 56.809 54.840 -0.022 0.000 0.748 402 L CB -0.819 41.234 42.059 -0.010 0.000 0.891 402 L HN 0.173 nan 8.230 nan 0.000 0.431 403 T N -1.125 113.415 114.554 -0.022 0.000 2.622 403 T HA -0.202 4.149 4.350 0.001 0.000 0.266 403 T C 1.950 176.609 174.700 -0.068 0.000 1.047 403 T CA 1.851 63.937 62.100 -0.024 0.000 1.159 403 T CB -0.722 68.149 68.868 0.004 0.000 0.863 403 T HN 0.200 nan 8.240 nan 0.000 0.422 404 V N 1.618 121.485 119.914 -0.078 0.000 2.324 404 V HA -0.246 3.875 4.120 0.001 0.000 0.250 404 V C 2.565 178.484 176.094 -0.291 0.000 1.060 404 V CA 1.888 64.067 62.300 -0.203 0.000 1.042 404 V CB -0.679 31.083 31.823 -0.102 0.000 0.650 404 V HN 0.551 nan 8.190 nan 0.000 0.450 405 E N -0.580 119.519 120.200 -0.167 0.000 2.077 405 E HA -0.198 4.152 4.350 0.001 0.000 0.193 405 E C 2.512 179.014 176.600 -0.164 0.000 0.989 405 E CA 1.066 57.377 56.400 -0.149 0.000 0.800 405 E CB -0.154 29.497 29.700 -0.081 0.000 0.746 405 E HN 0.521 nan 8.360 nan 0.000 0.452 406 R N 0.231 120.651 120.500 -0.133 0.000 2.092 406 R HA -0.054 4.287 4.340 0.001 0.000 0.231 406 R C 2.364 178.568 176.300 -0.160 0.000 1.119 406 R CA 0.930 56.952 56.100 -0.130 0.000 0.970 406 R CB -0.235 30.026 30.300 -0.064 0.000 0.864 406 R HN 0.098 nan 8.270 nan 0.000 0.440 407 A N 1.459 124.174 122.820 -0.175 0.000 1.883 407 A HA -0.192 4.128 4.320 0.001 0.000 0.217 407 A C 2.087 179.546 177.584 -0.208 0.000 1.186 407 A CA 1.306 53.245 52.037 -0.165 0.000 0.624 407 A CB -0.398 18.483 19.000 -0.199 0.000 0.822 407 A HN 0.230 nan 8.150 nan 0.000 0.444 408 R N -0.266 120.016 120.500 -0.363 0.000 2.120 408 R HA -0.106 4.235 4.340 0.001 0.000 0.234 408 R C 2.142 178.345 176.300 -0.162 0.000 1.123 408 R CA 1.542 57.488 56.100 -0.257 0.000 0.975 408 R CB -0.225 29.905 30.300 -0.284 0.000 0.866 408 R HN 0.558 nan 8.270 nan 0.000 0.446 409 K N 0.688 120.925 120.400 -0.273 0.000 1.980 409 K HA -0.058 4.262 4.320 0.001 0.000 0.208 409 K C 2.097 178.477 176.600 -0.366 0.000 1.043 409 K CA 1.246 57.210 56.287 -0.539 0.000 0.938 409 K CB -0.247 31.666 32.500 -0.979 0.000 0.724 409 K HN 0.042 nan 8.250 nan 0.000 0.438 410 I N 1.742 122.194 120.570 -0.197 0.000 2.181 410 I HA -0.404 3.767 4.170 0.001 0.000 0.247 410 I C 2.861 179.122 176.117 0.239 0.000 1.081 410 I CA 1.501 62.888 61.300 0.144 0.000 1.340 410 I CB -0.327 37.775 38.000 0.170 0.000 1.036 410 I HN 0.355 nan 8.210 nan 0.000 0.417 411 Q N 0.608 120.483 119.800 0.124 0.000 2.084 411 Q HA -0.231 4.109 4.340 0.001 0.000 0.202 411 Q C 2.357 178.468 176.000 0.184 0.000 0.978 411 Q CA 1.653 57.544 55.803 0.148 0.000 0.844 411 Q CB 0.075 28.895 28.738 0.136 0.000 0.898 411 Q HN 0.444 nan 8.270 nan 0.000 0.426 412 R N -0.840 119.770 120.500 0.184 0.000 2.119 412 R HA -0.053 4.287 4.340 0.001 0.000 0.222 412 R C 2.000 178.526 176.300 0.378 0.000 1.088 412 R CA 0.711 56.975 56.100 0.273 0.000 0.984 412 R CB -0.171 30.284 30.300 0.259 0.000 0.884 412 R HN 0.199 nan 8.270 nan 0.000 0.447 413 F N 1.137 121.185 119.950 0.163 0.000 2.408 413 F HA -0.047 4.481 4.527 0.001 0.000 0.300 413 F C 1.265 177.250 175.800 0.307 0.000 1.090 413 F CA 1.048 59.154 58.000 0.177 0.000 1.427 413 F CB -0.065 38.909 39.000 -0.043 0.000 1.070 413 F HN -0.032 nan 8.300 nan 0.000 0.549 414 L N -0.276 121.184 121.223 0.396 0.000 2.599 414 L HA 0.038 4.378 4.340 0.001 0.000 0.230 414 L C 1.144 178.096 176.870 0.136 0.000 1.141 414 L CA 0.100 55.076 54.840 0.227 0.000 0.877 414 L CB -0.663 41.474 42.059 0.130 0.000 1.009 414 L HN 0.057 nan 8.230 nan 0.000 0.447 415 S N -0.716 115.073 115.700 0.149 0.000 2.672 415 S HA 0.517 4.988 4.470 0.001 0.000 0.276 415 S C -0.437 174.150 174.600 -0.022 0.000 1.207 415 S CA -0.555 57.674 58.200 0.047 0.000 1.002 415 S CB 2.299 65.532 63.200 0.055 0.000 0.998 415 S HN 0.222 nan 8.310 nan 0.000 0.542 416 Q N 0.548 120.264 119.800 -0.140 0.000 2.327 416 Q HA 0.424 4.764 4.340 0.001 0.000 0.265 416 Q C -3.051 172.786 176.000 -0.272 0.000 0.993 416 Q CA -1.926 53.787 55.803 -0.149 0.000 0.885 416 Q CB 2.384 31.082 28.738 -0.067 0.000 1.379 416 Q HN 0.535 nan 8.270 nan 0.000 0.408 417 P HA 0.181 nan 4.420 nan 0.000 0.276 417 P C -1.045 176.284 177.300 0.049 0.000 1.230 417 P CA -0.034 63.003 63.100 -0.106 0.000 0.776 417 P CB 0.411 32.081 31.700 -0.050 0.000 0.888 418 F N 0.989 120.934 119.950 -0.009 0.000 2.399 418 F HA 0.419 4.947 4.527 0.001 0.000 0.328 418 F C 1.678 177.462 175.800 -0.026 0.000 1.084 418 F CA -1.355 56.629 58.000 -0.027 0.000 1.053 418 F CB 0.542 39.526 39.000 -0.027 0.000 1.209 418 F HN 0.372 nan 8.300 nan 0.000 0.502 419 A N 1.891 124.805 122.820 0.156 0.000 1.929 419 A HA -0.020 4.301 4.320 0.001 0.000 0.216 419 A C 1.917 179.520 177.584 0.033 0.000 1.176 419 A CA 1.408 53.476 52.037 0.052 0.000 0.628 419 A CB -0.804 18.198 19.000 0.002 0.000 0.816 419 A HN 0.525 nan 8.150 nan 0.000 0.444 420 V N -0.665 119.272 119.914 0.039 0.000 3.141 420 V HA -0.058 4.063 4.120 0.001 0.000 0.265 420 V C 2.358 178.505 176.094 0.088 0.000 1.126 420 V CA 1.509 63.829 62.300 0.033 0.000 1.141 420 V CB -0.611 31.215 31.823 0.004 0.000 0.743 420 V HN 0.582 nan 8.190 nan 0.000 0.492 421 A N -1.131 121.783 122.820 0.157 0.000 2.390 421 A HA 0.136 4.457 4.320 0.001 0.000 0.232 421 A C 1.978 179.575 177.584 0.023 0.000 1.233 421 A CA 0.173 52.329 52.037 0.199 0.000 0.907 421 A CB -0.174 19.013 19.000 0.312 0.000 0.967 421 A HN 0.445 nan 8.150 nan 0.000 0.512 422 E N 0.576 120.756 120.200 -0.033 0.000 2.147 422 E HA -0.227 4.124 4.350 0.001 0.000 0.199 422 E C 1.988 178.499 176.600 -0.148 0.000 1.005 422 E CA 2.056 58.418 56.400 -0.063 0.000 0.810 422 E CB -0.244 29.423 29.700 -0.055 0.000 0.736 422 E HN 0.622 nan 8.360 nan 0.000 0.460 423 V N -1.490 118.226 119.914 -0.330 0.000 2.469 423 V HA -0.232 3.889 4.120 0.001 0.000 0.251 423 V C 1.743 177.577 176.094 -0.434 0.000 1.064 423 V CA 1.733 63.750 62.300 -0.471 0.000 1.066 423 V CB -0.906 30.505 31.823 -0.688 0.000 0.667 423 V HN 0.182 nan 8.190 nan 0.000 0.461 424 F N 1.582 121.517 119.950 -0.026 0.000 2.695 424 F HA 0.277 4.804 4.527 0.001 0.000 0.303 424 F C 2.158 177.944 175.800 -0.024 0.000 1.091 424 F CA 0.697 58.675 58.000 -0.037 0.000 1.300 424 F CB -0.591 38.353 39.000 -0.093 0.000 1.071 424 F HN 0.325 nan 8.300 nan 0.000 0.578 425 T N -4.489 110.124 114.554 0.099 0.000 2.978 425 T HA 0.333 4.684 4.350 0.001 0.000 0.248 425 T C 1.815 176.539 174.700 0.042 0.000 1.018 425 T CA 0.493 62.636 62.100 0.072 0.000 1.026 425 T CB -0.100 68.790 68.868 0.037 0.000 1.032 425 T HN 0.259 nan 8.240 nan 0.000 0.485 426 G N 1.870 110.676 108.800 0.009 0.000 2.341 426 G HA2 -0.214 3.746 3.960 0.001 0.000 0.292 426 G HA3 -0.214 3.746 3.960 0.001 0.000 0.292 426 G C -0.101 174.800 174.900 0.002 0.000 1.021 426 G CA 0.622 45.723 45.100 0.001 0.000 0.905 426 G HN 0.712 nan 8.290 nan 0.000 0.508 427 I N 0.813 121.380 120.570 -0.005 0.000 2.534 427 I HA 0.321 4.491 4.170 0.001 0.000 0.288 427 I C -2.173 173.936 176.117 -0.012 0.000 1.077 427 I CA -2.612 58.681 61.300 -0.012 0.000 1.051 427 I CB 2.845 40.829 38.000 -0.028 0.000 1.234 427 I HN -0.140 nan 8.210 nan 0.000 0.425 428 P HA 0.064 nan 4.420 nan 0.000 0.267 428 P C 0.292 177.594 177.300 0.003 0.000 1.209 428 P CA 0.079 63.175 63.100 -0.006 0.000 0.763 428 P CB 0.508 32.203 31.700 -0.009 0.000 0.816 429 G N 3.843 112.656 108.800 0.021 0.000 2.647 429 G HA2 0.110 4.071 3.960 0.001 0.000 0.234 429 G HA3 0.110 4.071 3.960 0.001 0.000 0.234 429 G C -0.183 174.743 174.900 0.043 0.000 1.252 429 G CA -0.231 44.902 45.100 0.054 0.000 0.846 429 G HN 0.432 nan 8.290 nan 0.000 0.589 430 K N -0.232 120.209 120.400 0.069 0.000 2.426 430 K HA 0.443 4.763 4.320 0.001 0.000 0.251 430 K C -1.081 175.561 176.600 0.069 0.000 0.941 430 K CA -0.714 55.603 56.287 0.050 0.000 0.808 430 K CB 2.691 35.211 32.500 0.033 0.000 1.265 430 K HN 0.415 nan 8.250 nan 0.000 0.432 431 L N 1.425 122.672 121.223 0.039 0.000 2.346 431 L HA 0.614 4.954 4.340 0.001 0.000 0.274 431 L C -1.328 175.557 176.870 0.025 0.000 1.007 431 L CA -0.759 54.099 54.840 0.030 0.000 0.818 431 L CB 1.775 43.839 42.059 0.008 0.000 1.284 431 L HN 0.271 nan 8.230 nan 0.000 0.424 432 V N 4.355 124.282 119.914 0.022 0.000 2.525 432 V HA 0.556 4.676 4.120 0.001 0.000 0.299 432 V C -0.323 175.776 176.094 0.008 0.000 1.034 432 V CA -0.861 61.449 62.300 0.016 0.000 0.863 432 V CB 1.535 33.367 31.823 0.015 0.000 0.999 432 V HN 0.723 nan 8.190 nan 0.000 0.423 433 R N 2.560 123.065 120.500 0.009 0.000 2.594 433 R HA 0.281 4.621 4.340 0.001 0.000 0.272 433 R C 1.230 177.531 176.300 0.001 0.000 1.074 433 R CA -0.339 55.766 56.100 0.007 0.000 1.105 433 R CB 0.709 31.015 30.300 0.011 0.000 1.008 433 R HN 0.753 nan 8.270 nan 0.000 0.472 434 L N 2.943 124.165 121.223 -0.001 0.000 1.990 434 L HA -0.282 4.059 4.340 0.001 0.000 0.213 434 L C 2.059 178.906 176.870 -0.037 0.000 1.072 434 L CA 1.950 56.779 54.840 -0.018 0.000 0.755 434 L CB -0.130 41.935 42.059 0.010 0.000 0.889 434 L HN 0.585 nan 8.230 nan 0.000 0.432 435 K N -0.472 119.921 120.400 -0.012 0.000 2.113 435 K HA -0.211 4.109 4.320 0.001 0.000 0.208 435 K C 1.740 178.341 176.600 0.001 0.000 1.047 435 K CA 1.754 58.037 56.287 -0.008 0.000 0.928 435 K CB -0.345 32.163 32.500 0.012 0.000 0.716 435 K HN 0.526 nan 8.250 nan 0.000 0.446 436 D N 0.141 120.547 120.400 0.010 0.000 2.097 436 D HA -0.106 4.535 4.640 0.001 0.000 0.197 436 D C 1.886 178.207 176.300 0.035 0.000 0.984 436 D CA 1.459 55.474 54.000 0.025 0.000 0.826 436 D CB -0.232 40.583 40.800 0.024 0.000 0.973 436 D HN 0.202 nan 8.370 nan 0.000 0.460 437 T N 1.418 115.983 114.554 0.020 0.000 2.652 437 T HA -0.127 4.224 4.350 0.001 0.000 0.267 437 T C 2.371 177.146 174.700 0.125 0.000 1.039 437 T CA 1.103 63.244 62.100 0.068 0.000 1.153 437 T CB -0.552 68.317 68.868 0.001 0.000 0.863 437 T HN -0.028 nan 8.240 nan 0.000 0.428 438 V N 2.104 122.003 119.914 -0.025 0.000 2.233 438 V HA -0.201 3.919 4.120 0.001 0.000 0.247 438 V C 3.001 179.137 176.094 0.070 0.000 1.050 438 V CA 1.783 64.050 62.300 -0.054 0.000 1.010 438 V CB -1.503 30.199 31.823 -0.201 0.000 0.637 438 V HN 0.567 nan 8.190 nan 0.000 0.444 439 A N -0.202 122.653 122.820 0.059 0.000 1.903 439 A HA -0.293 4.028 4.320 0.001 0.000 0.219 439 A C 2.486 180.149 177.584 0.131 0.000 1.191 439 A CA 2.723 54.813 52.037 0.089 0.000 0.638 439 A CB -0.954 18.088 19.000 0.071 0.000 0.823 439 A HN 0.520 nan 8.150 nan 0.000 0.451 440 S N -1.131 114.646 115.700 0.129 0.000 2.348 440 S HA -0.108 4.362 4.470 0.001 0.000 0.221 440 S C 1.648 176.334 174.600 0.144 0.000 1.033 440 S CA 1.661 59.937 58.200 0.127 0.000 1.010 440 S CB -0.527 62.726 63.200 0.088 0.000 0.891 440 S HN 0.551 nan 8.310 nan 0.000 0.442 441 F N 1.680 121.712 119.950 0.137 0.000 2.206 441 F HA 0.046 4.573 4.527 0.000 0.000 0.298 441 F C 2.320 178.195 175.800 0.124 0.000 1.090 441 F CA 0.932 59.016 58.000 0.140 0.000 1.323 441 F CB -0.277 38.733 39.000 0.016 0.000 1.028 441 F HN 0.075 nan 8.300 nan 0.000 0.492 442 K N 0.655 121.211 120.400 0.260 0.000 2.020 442 K HA -0.261 4.060 4.320 0.001 0.000 0.212 442 K C 2.291 178.997 176.600 0.176 0.000 1.050 442 K CA 1.546 57.939 56.287 0.177 0.000 0.929 442 K CB -0.436 32.143 32.500 0.132 0.000 0.714 442 K HN 0.225 nan 8.250 nan 0.000 0.443 443 A N 0.584 123.527 122.820 0.205 0.000 1.908 443 A HA -0.143 4.178 4.320 0.001 0.000 0.218 443 A C 2.272 180.035 177.584 0.299 0.000 1.181 443 A CA 1.866 54.057 52.037 0.257 0.000 0.627 443 A CB -0.696 18.547 19.000 0.405 0.000 0.818 443 A HN 0.212 nan 8.150 nan 0.000 0.445 444 V N -0.027 120.061 119.914 0.290 0.000 2.343 444 V HA -0.252 3.869 4.120 0.001 0.000 0.247 444 V C 2.540 178.726 176.094 0.152 0.000 1.051 444 V CA 1.917 64.359 62.300 0.237 0.000 1.036 444 V CB -0.720 31.166 31.823 0.106 0.000 0.654 444 V HN 0.576 nan 8.190 nan 0.000 0.451 445 L N -0.347 120.966 121.223 0.150 0.000 2.131 445 L HA -0.202 4.138 4.340 0.001 0.000 0.210 445 L C 2.463 179.380 176.870 0.079 0.000 1.092 445 L CA 1.591 56.495 54.840 0.108 0.000 0.759 445 L CB -0.496 41.632 42.059 0.115 0.000 0.903 445 L HN 0.403 nan 8.230 nan 0.000 0.435 446 E N -0.515 119.736 120.200 0.085 0.000 2.358 446 E HA -0.028 4.322 4.350 0.001 0.000 0.195 446 E C 1.347 177.965 176.600 0.031 0.000 1.010 446 E CA 0.586 57.018 56.400 0.052 0.000 0.856 446 E CB 0.118 29.846 29.700 0.047 0.000 0.795 446 E HN 0.545 nan 8.360 nan 0.000 0.504 447 G N 1.466 110.294 108.800 0.046 0.000 2.144 447 G HA2 -0.272 3.689 3.960 0.001 0.000 0.218 447 G HA3 -0.272 3.689 3.960 0.001 0.000 0.218 447 G C 0.562 175.449 174.900 -0.022 0.000 0.988 447 G CA 0.121 45.236 45.100 0.026 0.000 0.659 447 G HN 0.175 nan 8.290 nan 0.000 0.522 448 K N -0.364 119.986 120.400 -0.082 0.000 2.569 448 K HA 0.226 4.546 4.320 0.001 0.000 0.193 448 K C 0.113 176.295 176.600 -0.696 0.000 1.026 448 K CA 0.616 56.690 56.287 -0.354 0.000 1.093 448 K CB 0.016 32.265 32.500 -0.418 0.000 0.849 448 K HN 0.620 nan 8.250 nan 0.000 0.509 449 Y N -0.803 119.519 120.300 0.036 0.000 2.892 449 Y HA 0.111 4.661 4.550 0.001 0.000 0.242 449 Y C 0.291 176.247 175.900 0.094 0.000 1.080 449 Y CA -0.722 57.416 58.100 0.063 0.000 1.147 449 Y CB 0.400 38.924 38.460 0.106 0.000 1.229 449 Y HN -0.025 nan 8.280 nan 0.000 0.633 450 D N 0.413 120.889 120.400 0.126 0.000 2.317 450 D HA -0.104 4.536 4.640 0.001 0.000 0.211 450 D C 1.487 177.835 176.300 0.081 0.000 0.966 450 D CA 0.943 54.995 54.000 0.087 0.000 0.876 450 D CB 0.030 40.849 40.800 0.032 0.000 0.927 450 D HN 0.500 nan 8.370 nan 0.000 0.519 451 N N 0.802 119.544 118.700 0.070 0.000 2.494 451 N HA -0.086 4.655 4.740 0.001 0.000 0.182 451 N C 0.534 176.084 175.510 0.066 0.000 1.076 451 N CA 0.115 53.194 53.050 0.048 0.000 0.908 451 N CB -0.050 38.449 38.487 0.019 0.000 0.967 451 N HN 0.170 nan 8.380 nan 0.000 0.449 452 I N 1.624 122.263 120.570 0.116 0.000 2.365 452 I HA 0.254 4.425 4.170 0.001 0.000 0.291 452 I C -2.003 174.193 176.117 0.132 0.000 1.004 452 I CA -2.307 59.043 61.300 0.084 0.000 1.311 452 I CB 1.253 39.267 38.000 0.024 0.000 1.401 452 I HN -0.183 nan 8.210 nan 0.000 0.491 453 P HA -0.075 nan 4.420 nan 0.000 0.267 453 P C 0.485 177.896 177.300 0.186 0.000 1.195 453 P CA 0.232 63.388 63.100 0.094 0.000 0.773 453 P CB 0.634 32.364 31.700 0.050 0.000 0.837 454 E N 1.232 121.553 120.200 0.201 0.000 2.028 454 E HA -0.260 4.090 4.350 0.001 0.000 0.191 454 E C 1.552 178.334 176.600 0.303 0.000 0.988 454 E CA 0.985 57.545 56.400 0.267 0.000 0.799 454 E CB -0.320 29.464 29.700 0.140 0.000 0.755 454 E HN 0.517 nan 8.360 nan 0.000 0.447 455 H N -0.564 118.574 119.070 0.114 0.000 2.539 455 H HA -0.048 4.509 4.556 0.001 0.000 0.292 455 H C 1.308 176.701 175.328 0.108 0.000 1.069 455 H CA 1.255 57.371 56.048 0.112 0.000 1.244 455 H CB 0.018 29.817 29.762 0.062 0.000 1.365 455 H HN 0.215 nan 8.280 nan 0.000 0.575 456 A N -1.136 121.694 122.820 0.015 0.000 2.208 456 A HA 0.056 4.376 4.320 0.001 0.000 0.209 456 A C 1.280 178.594 177.584 -0.449 0.000 1.161 456 A CA 0.334 52.230 52.037 -0.234 0.000 0.782 456 A CB -0.485 18.312 19.000 -0.338 0.000 0.816 456 A HN 0.405 nan 8.150 nan 0.000 0.477 457 F N -2.577 117.289 119.950 -0.140 0.000 2.656 457 F HA 0.206 4.733 4.527 0.001 0.000 0.291 457 F C 0.726 176.530 175.800 0.007 0.000 1.122 457 F CA -0.411 57.470 58.000 -0.198 0.000 1.427 457 F CB -0.089 38.770 39.000 -0.234 0.000 1.125 457 F HN 0.282 nan 8.300 nan 0.000 0.583 458 Y N 1.831 122.147 120.300 0.028 0.000 2.496 458 Y HA 0.270 4.821 4.550 0.001 0.000 0.334 458 Y C 0.759 176.628 175.900 -0.051 0.000 1.080 458 Y CA -1.406 56.682 58.100 -0.020 0.000 1.355 458 Y CB 0.233 38.604 38.460 -0.147 0.000 1.193 458 Y HN 0.200 nan 8.280 nan 0.000 0.523 459 M N 5.155 124.459 119.600 -0.493 0.000 2.399 459 M HA -0.155 4.325 4.480 0.001 0.000 0.191 459 M C -1.732 174.419 176.300 -0.249 0.000 0.732 459 M CA 1.247 56.222 55.300 -0.542 0.000 0.512 459 M CB -1.384 30.605 32.600 -1.017 0.000 1.191 459 M HN 0.527 nan 8.290 nan 0.000 0.894 460 V N -2.285 117.576 119.914 -0.090 0.000 3.156 460 V HA 1.095 5.215 4.120 0.001 0.000 0.310 460 V C 0.826 176.948 176.094 0.046 0.000 1.234 460 V CA -0.386 61.896 62.300 -0.030 0.000 1.065 460 V CB 1.225 33.023 31.823 -0.042 0.000 1.088 460 V HN 0.490 nan 8.190 nan 0.000 0.451 461 G N -0.149 108.679 108.800 0.046 0.000 3.152 461 G HA2 0.555 4.516 3.960 0.001 0.000 0.157 461 G HA3 0.555 4.516 3.960 0.001 0.000 0.157 461 G C 0.491 175.469 174.900 0.130 0.000 1.786 461 G CA -0.034 45.103 45.100 0.063 0.000 1.055 461 G HN 1.428 nan 8.290 nan 0.000 0.528 462 G N -1.287 107.570 108.800 0.095 0.000 2.543 462 G HA2 0.358 4.318 3.960 0.001 0.000 0.290 462 G HA3 0.358 4.318 3.960 0.001 0.000 0.290 462 G C 0.821 175.816 174.900 0.157 0.000 1.310 462 G CA -0.197 44.983 45.100 0.132 0.000 1.025 462 G HN 0.373 nan 8.290 nan 0.000 0.502 463 I N -0.468 120.187 120.570 0.141 0.000 2.423 463 I HA -0.119 4.051 4.170 0.001 0.000 0.254 463 I C 2.412 178.441 176.117 -0.146 0.000 1.151 463 I CA 1.330 62.581 61.300 -0.082 0.000 1.421 463 I CB -0.232 37.672 38.000 -0.160 0.000 1.079 463 I HN 0.680 nan 8.210 nan 0.000 0.431 464 E N 0.318 120.486 120.200 -0.053 0.000 2.033 464 E HA -0.291 4.060 4.350 0.001 0.000 0.199 464 E C 1.823 178.374 176.600 -0.083 0.000 1.011 464 E CA 2.021 58.392 56.400 -0.050 0.000 0.815 464 E CB -0.214 29.476 29.700 -0.017 0.000 0.755 464 E HN 0.515 nan 8.360 nan 0.000 0.451 465 D N -0.229 120.131 120.400 -0.066 0.000 2.158 465 D HA -0.160 4.480 4.640 0.001 0.000 0.197 465 D C 1.944 178.150 176.300 -0.157 0.000 0.995 465 D CA 0.978 54.930 54.000 -0.080 0.000 0.846 465 D CB -0.114 40.663 40.800 -0.039 0.000 0.941 465 D HN 0.049 nan 8.370 nan 0.000 0.456 466 V N -0.019 119.740 119.914 -0.258 0.000 2.427 466 V HA -0.170 3.950 4.120 0.001 0.000 0.248 466 V C 2.432 178.288 176.094 -0.397 0.000 1.051 466 V CA 0.972 62.991 62.300 -0.467 0.000 1.048 466 V CB -0.433 30.880 31.823 -0.850 0.000 0.666 466 V HN 0.103 nan 8.190 nan 0.000 0.456 467 V N 0.372 120.117 119.914 -0.281 0.000 2.667 467 V HA -0.128 3.993 4.120 0.001 0.000 0.252 467 V C 2.644 178.668 176.094 -0.116 0.000 1.065 467 V CA 1.582 63.783 62.300 -0.165 0.000 1.083 467 V CB -0.995 30.783 31.823 -0.076 0.000 0.692 467 V HN 0.524 nan 8.190 nan 0.000 0.468 468 A N -0.015 122.739 122.820 -0.110 0.000 1.855 468 A HA -0.211 4.109 4.320 0.001 0.000 0.215 468 A C 2.334 179.869 177.584 -0.082 0.000 1.191 468 A CA 1.930 53.920 52.037 -0.077 0.000 0.613 468 A CB -0.488 18.474 19.000 -0.063 0.000 0.829 468 A HN 0.430 nan 8.150 nan 0.000 0.442 469 K N -0.401 119.932 120.400 -0.111 0.000 2.211 469 K HA -0.110 4.211 4.320 0.001 0.000 0.204 469 K C 2.061 178.610 176.600 -0.086 0.000 1.047 469 K CA 1.042 57.272 56.287 -0.096 0.000 0.935 469 K CB -0.249 32.176 32.500 -0.126 0.000 0.728 469 K HN 0.430 nan 8.250 nan 0.000 0.452 470 A N 0.990 123.737 122.820 -0.122 0.000 1.930 470 A HA -0.158 4.163 4.320 0.001 0.000 0.217 470 A C 1.742 179.295 177.584 -0.052 0.000 1.175 470 A CA 1.391 53.370 52.037 -0.097 0.000 0.627 470 A CB -0.260 18.662 19.000 -0.130 0.000 0.815 470 A HN 0.376 nan 8.150 nan 0.000 0.443 471 E N -0.402 119.768 120.200 -0.049 0.000 2.107 471 E HA -0.146 4.204 4.350 0.001 0.000 0.191 471 E C 2.053 178.641 176.600 -0.020 0.000 0.982 471 E CA 1.205 57.587 56.400 -0.030 0.000 0.809 471 E CB -0.085 29.598 29.700 -0.028 0.000 0.756 471 E HN 0.628 nan 8.360 nan 0.000 0.459 472 K N 0.962 121.349 120.400 -0.021 0.000 2.026 472 K HA -0.124 4.197 4.320 0.001 0.000 0.208 472 K C 2.027 178.626 176.600 -0.000 0.000 1.048 472 K CA 0.981 57.263 56.287 -0.009 0.000 0.929 472 K CB -0.046 32.450 32.500 -0.007 0.000 0.713 472 K HN 0.093 nan 8.250 nan 0.000 0.439 473 L N 0.338 121.563 121.223 0.004 0.000 2.275 473 L HA -0.112 4.229 4.340 0.001 0.000 0.215 473 L C 2.395 179.267 176.870 0.004 0.000 1.119 473 L CA 0.857 55.706 54.840 0.013 0.000 0.790 473 L CB -0.343 41.734 42.059 0.030 0.000 0.919 473 L HN 0.281 nan 8.230 nan 0.000 0.443 474 A N -0.052 122.766 122.820 -0.004 0.000 2.067 474 A HA 0.224 4.544 4.320 0.001 0.000 0.217 474 A C 1.501 179.083 177.584 -0.004 0.000 1.156 474 A CA 0.840 52.874 52.037 -0.005 0.000 0.683 474 A CB -0.308 18.686 19.000 -0.009 0.000 0.808 474 A HN 0.323 nan 8.150 nan 0.000 0.455 475 A N 0.000 122.818 122.820 -0.004 0.000 2.254 475 A HA 0.000 4.320 4.320 0.001 0.000 0.244 475 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 475 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486