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 3oe7_1_X DATA FIRST_RESID 7 DATA SEQUENCE TPITGKVTAV IGAIVDVHFE QSELPAILNA LEIKTPQGKL VLEVAQHLGE DATA SEQUENCE NTVRTIAMDG TEGLVRGEKV LDTGGPISVP VGRETLGRII NVIGEPIDER DATA SEQUENCE GPIKSKLRKP IHADPPSFAE QSTSAEILET GIKVVDLLAP YARGGKIGLF DATA SEQUENCE GGAGVGKTVF IQELINNIAK AHGGFSVFTG VGERTREGND LYREMKETGV DATA SEQUENCE INLEGESKVA LVFGQMNEPP GARARVALTG LTIAEYFRDE EGQDVLLFID DATA SEQUENCE NIFRFTQAGS EVSALLGRIP SAVGYQPTLA TDMGLLQERI TTTKKGSVTS DATA SEQUENCE VQAVYVPADD LTDPAPATTF AHLDATTVLS RGISELGIYP AVDPLDSKSR DATA SEQUENCE LLDAAVVGQE HYDVASKVQE TLQTYKSLQD IIAILGMDEL SEQDKLTVER DATA SEQUENCE ARKIQRFLSQ PFAVAEVFTG IPGKLVRLKD TVASFKAVLE GKYDNIPEHA DATA SEQUENCE FYMVGGIEDV VAKAEKLAA 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 7 T HA 0.000 nan 4.350 nan 0.000 0.228 7 T C 0.000 174.711 174.700 0.018 0.000 1.109 7 T CA 0.000 62.108 62.100 0.013 0.000 1.349 7 T CB 0.000 68.876 68.868 0.012 0.000 0.612 8 P HA 0.626 nan 4.420 nan 0.000 0.286 8 P C -0.062 177.265 177.300 0.044 0.000 1.293 8 P CA -0.857 62.259 63.100 0.027 0.000 0.770 8 P CB 0.737 32.453 31.700 0.028 0.000 1.206 9 I N 0.275 120.876 120.570 0.052 0.000 2.529 9 I HA 0.208 4.378 4.170 -0.000 0.000 0.284 9 I C 0.711 176.944 176.117 0.193 0.000 1.082 9 I CA -0.051 61.306 61.300 0.095 0.000 1.406 9 I CB 0.653 38.676 38.000 0.038 0.000 1.405 9 I HN 0.416 nan 8.210 nan 0.000 0.548 10 T N 1.955 116.640 114.554 0.219 0.000 2.907 10 T HA 0.860 5.210 4.350 -0.000 0.000 0.292 10 T C -0.249 174.468 174.700 0.029 0.000 1.043 10 T CA -0.886 61.316 62.100 0.171 0.000 1.003 10 T CB 2.090 70.990 68.868 0.053 0.000 1.084 10 T HN 0.852 nan 8.240 nan 0.000 0.483 11 G N 0.683 109.270 108.800 -0.356 0.000 2.695 11 G HA2 0.657 4.617 3.960 -0.000 0.000 0.290 11 G HA3 0.657 4.617 3.960 -0.000 0.000 0.290 11 G C -1.740 172.859 174.900 -0.501 0.000 1.410 11 G CA -1.176 43.409 45.100 -0.859 0.000 0.844 11 G HN 0.768 nan 8.290 nan 0.000 0.478 12 K N 0.028 120.197 120.400 -0.385 0.000 2.164 12 K HA 0.550 4.870 4.320 -0.000 0.000 0.258 12 K C -0.547 175.960 176.600 -0.154 0.000 0.951 12 K CA -0.788 55.385 56.287 -0.189 0.000 0.844 12 K CB 2.818 35.262 32.500 -0.094 0.000 1.099 12 K HN 0.203 nan 8.250 nan 0.000 0.435 13 V N 3.086 122.939 119.914 -0.101 0.000 2.439 13 V HA -0.050 4.070 4.120 -0.000 0.000 0.271 13 V C 1.415 177.482 176.094 -0.046 0.000 1.040 13 V CA 0.228 62.490 62.300 -0.064 0.000 1.002 13 V CB 0.366 32.163 31.823 -0.044 0.000 1.000 13 V HN 1.026 nan 8.190 nan 0.000 0.477 14 T N 1.797 116.332 114.554 -0.032 0.000 2.976 14 T HA 0.407 4.757 4.350 -0.000 0.000 0.257 14 T C 0.623 175.309 174.700 -0.024 0.000 1.051 14 T CA 0.617 62.698 62.100 -0.032 0.000 1.141 14 T CB 0.337 69.188 68.868 -0.027 0.000 0.881 14 T HN 0.915 nan 8.240 nan 0.000 0.461 15 A N 0.336 123.148 122.820 -0.013 0.000 2.549 15 A HA 0.699 5.019 4.320 -0.000 0.000 0.297 15 A C -1.494 176.087 177.584 -0.005 0.000 1.061 15 A CA -0.741 51.290 52.037 -0.009 0.000 0.690 15 A CB 2.033 21.031 19.000 -0.004 0.000 1.287 15 A HN 0.242 nan 8.150 nan 0.000 0.402 16 V N 2.632 122.543 119.914 -0.005 0.000 2.398 16 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 16 V C -0.952 175.142 176.094 -0.001 0.000 1.014 16 V CA 0.079 62.378 62.300 -0.002 0.000 0.838 16 V CB 0.808 32.628 31.823 -0.004 0.000 1.018 16 V HN 0.670 nan 8.190 nan 0.000 0.432 17 I N 4.453 125.023 120.570 0.001 0.000 2.437 17 I HA 0.675 4.845 4.170 -0.000 0.000 0.279 17 I C 1.140 177.258 176.117 0.001 0.000 1.028 17 I CA -0.001 61.299 61.300 0.000 0.000 1.142 17 I CB 1.305 39.305 38.000 0.001 0.000 1.266 17 I HN 0.758 nan 8.210 nan 0.000 0.461 18 G N 4.963 113.763 108.800 -0.000 0.000 2.596 18 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.304 18 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.304 18 G C 0.884 175.785 174.900 0.002 0.000 1.189 18 G CA 0.608 45.708 45.100 -0.000 0.000 0.986 18 G HN 0.802 nan 8.290 nan 0.000 0.548 19 A N -0.711 122.110 122.820 0.001 0.000 2.178 19 A HA 0.555 4.875 4.320 -0.000 0.000 0.211 19 A C 1.119 178.708 177.584 0.008 0.000 1.157 19 A CA 0.799 52.838 52.037 0.004 0.000 0.780 19 A CB 0.061 19.062 19.000 0.002 0.000 0.828 19 A HN 0.600 nan 8.150 nan 0.000 0.476 20 I N 1.935 122.509 120.570 0.007 0.000 2.337 20 I HA 0.226 4.396 4.170 -0.000 0.000 0.291 20 I C -0.444 175.680 176.117 0.013 0.000 1.046 20 I CA -0.044 61.263 61.300 0.011 0.000 1.324 20 I CB 0.703 38.708 38.000 0.009 0.000 1.409 20 I HN -0.071 nan 8.210 nan 0.000 0.494 21 V N 6.116 126.041 119.914 0.019 0.000 2.628 21 V HA 0.491 4.611 4.120 -0.000 0.000 0.306 21 V C -0.505 175.605 176.094 0.026 0.000 1.045 21 V CA -0.881 61.430 62.300 0.018 0.000 0.905 21 V CB 2.519 34.353 31.823 0.019 0.000 0.997 21 V HN 0.521 nan 8.190 nan 0.000 0.436 22 D N 1.851 122.263 120.400 0.020 0.000 2.362 22 D HA 0.705 5.345 4.640 -0.000 0.000 0.247 22 D C -0.927 175.385 176.300 0.019 0.000 1.050 22 D CA -0.101 53.916 54.000 0.028 0.000 0.839 22 D CB 2.255 43.069 40.800 0.023 0.000 1.283 22 D HN 0.308 nan 8.370 nan 0.000 0.477 23 V N 2.009 121.946 119.914 0.038 0.000 2.638 23 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 23 V C -0.716 175.380 176.094 0.003 0.000 1.052 23 V CA -0.834 61.453 62.300 -0.023 0.000 0.885 23 V CB 1.941 33.738 31.823 -0.044 0.000 0.999 23 V HN 0.545 nan 8.190 nan 0.000 0.424 24 H N 3.674 122.625 119.070 -0.199 0.000 2.467 24 H HA 0.684 5.240 4.556 -0.000 0.000 0.331 24 H C -1.545 173.587 175.328 -0.327 0.000 1.120 24 H CA -0.533 55.434 56.048 -0.135 0.000 1.270 24 H CB 1.107 30.811 29.762 -0.098 0.000 1.466 24 H HN 0.457 nan 8.280 nan 0.000 0.504 25 F N 3.184 122.812 119.950 -0.537 0.000 2.460 25 F HA 0.195 4.722 4.527 -0.000 0.000 0.341 25 F C 1.111 176.650 175.800 -0.435 0.000 1.130 25 F CA -0.704 57.087 58.000 -0.348 0.000 0.962 25 F CB 1.886 40.755 39.000 -0.218 0.000 1.171 25 F HN 0.623 nan 8.300 nan 0.000 0.436 26 E N 1.584 121.733 120.200 -0.084 0.000 2.331 26 E HA -0.155 4.195 4.350 -0.000 0.000 0.199 26 E C 0.422 177.022 176.600 -0.001 0.000 1.008 26 E CA 0.763 57.153 56.400 -0.017 0.000 0.843 26 E CB -0.010 29.715 29.700 0.040 0.000 0.761 26 E HN 0.760 nan 8.360 nan 0.000 0.507 27 Q N -1.540 118.265 119.800 0.008 0.000 2.495 27 Q HA 0.439 4.779 4.340 -0.000 0.000 0.283 27 Q C 0.819 176.813 176.000 -0.010 0.000 1.097 27 Q CA -0.515 55.293 55.803 0.009 0.000 0.836 27 Q CB 1.050 29.801 28.738 0.021 0.000 1.426 27 Q HN -0.253 nan 8.270 nan 0.000 0.459 28 S N -0.525 115.170 115.700 -0.008 0.000 2.419 28 S HA -0.118 4.352 4.470 -0.000 0.000 0.235 28 S C 0.045 174.628 174.600 -0.029 0.000 1.019 28 S CA 1.190 59.383 58.200 -0.013 0.000 0.982 28 S CB -0.166 63.031 63.200 -0.004 0.000 0.789 28 S HN 0.527 nan 8.310 nan 0.000 0.490 29 E N 0.920 121.097 120.200 -0.039 0.000 2.166 29 E HA 0.385 4.735 4.350 -0.000 0.000 0.279 29 E C -1.325 175.177 176.600 -0.163 0.000 1.095 29 E CA 0.089 56.444 56.400 -0.074 0.000 0.888 29 E CB 0.679 30.340 29.700 -0.066 0.000 1.041 29 E HN 0.150 nan 8.360 nan 0.000 0.414 30 L N 6.358 127.479 121.223 -0.170 0.000 2.346 30 L HA 0.447 4.787 4.340 -0.000 0.000 0.276 30 L C -2.119 174.612 176.870 -0.232 0.000 1.006 30 L CA -2.112 52.543 54.840 -0.309 0.000 0.817 30 L CB 1.431 43.345 42.059 -0.241 0.000 1.272 30 L HN 0.449 nan 8.230 nan 0.000 0.421 31 P HA 0.147 nan 4.420 nan 0.000 0.265 31 P C -0.706 176.619 177.300 0.040 0.000 1.193 31 P CA -0.334 62.636 63.100 -0.217 0.000 0.765 31 P CB 0.721 32.239 31.700 -0.302 0.000 0.823 32 A N 4.446 127.260 122.820 -0.009 0.000 2.425 32 A HA 0.260 4.580 4.320 -0.000 0.000 0.242 32 A C 0.720 178.283 177.584 -0.035 0.000 1.077 32 A CA -0.571 51.441 52.037 -0.042 0.000 0.781 32 A CB -0.342 18.619 19.000 -0.065 0.000 1.020 32 A HN 0.546 nan 8.150 nan 0.000 0.494 33 I N 1.013 121.518 120.570 -0.108 0.000 2.752 33 I HA 0.011 4.181 4.170 -0.000 0.000 0.287 33 I C 0.573 176.645 176.117 -0.075 0.000 1.188 33 I CA 0.611 61.866 61.300 -0.076 0.000 1.427 33 I CB 0.082 38.010 38.000 -0.121 0.000 1.365 33 I HN 0.771 nan 8.210 nan 0.000 0.585 34 L N 2.201 123.384 121.223 -0.066 0.000 4.892 34 L HA -0.244 4.096 4.340 -0.000 0.000 0.403 34 L C -0.139 176.749 176.870 0.030 0.000 0.913 34 L CA 0.245 55.028 54.840 -0.095 0.000 1.653 34 L CB -1.625 40.283 42.059 -0.252 0.000 1.780 34 L HN 0.705 nan 8.230 nan 0.000 0.597 35 N N 0.798 119.513 118.700 0.025 0.000 2.515 35 N HA 0.647 5.387 4.740 -0.000 0.000 0.279 35 N C 0.215 175.757 175.510 0.052 0.000 1.164 35 N CA 0.460 53.533 53.050 0.038 0.000 0.982 35 N CB 1.007 39.499 38.487 0.009 0.000 1.170 35 N HN 0.255 nan 8.380 nan 0.000 0.474 36 A N 1.487 124.337 122.820 0.050 0.000 2.309 36 A HA 0.637 4.957 4.320 -0.000 0.000 0.298 36 A C -0.397 177.219 177.584 0.053 0.000 1.165 36 A CA -0.484 51.584 52.037 0.053 0.000 0.821 36 A CB 0.031 19.057 19.000 0.044 0.000 1.102 36 A HN 0.593 nan 8.150 nan 0.000 0.500 37 L N 1.335 122.598 121.223 0.066 0.000 2.319 37 L HA 0.672 5.012 4.340 -0.000 0.000 0.267 37 L C -0.289 176.620 176.870 0.066 0.000 1.011 37 L CA -0.618 54.272 54.840 0.084 0.000 0.818 37 L CB 2.094 44.232 42.059 0.132 0.000 1.316 37 L HN 0.739 nan 8.230 nan 0.000 0.432 38 E N 1.877 122.115 120.200 0.063 0.000 2.246 38 E HA 0.553 4.903 4.350 -0.000 0.000 0.266 38 E C -1.370 175.251 176.600 0.035 0.000 0.880 38 E CA -0.312 56.114 56.400 0.042 0.000 0.762 38 E CB 2.854 32.575 29.700 0.034 0.000 1.180 38 E HN 0.384 nan 8.360 nan 0.000 0.416 39 I N 3.236 123.821 120.570 0.024 0.000 2.355 39 I HA 0.264 4.434 4.170 -0.000 0.000 0.288 39 I C -0.599 175.524 176.117 0.010 0.000 0.999 39 I CA -0.959 60.349 61.300 0.013 0.000 1.163 39 I CB 1.243 39.248 38.000 0.008 0.000 1.316 39 I HN 0.204 nan 8.210 nan 0.000 0.454 40 K N 5.155 125.560 120.400 0.007 0.000 2.262 40 K HA 0.210 4.530 4.320 -0.000 0.000 0.288 40 K C 0.292 176.894 176.600 0.002 0.000 1.090 40 K CA -0.277 56.013 56.287 0.005 0.000 0.918 40 K CB 0.308 32.812 32.500 0.005 0.000 1.139 40 K HN 0.629 nan 8.250 nan 0.000 0.462 41 T N -0.467 114.088 114.554 0.002 0.000 2.874 41 T HA 0.244 4.594 4.350 -0.000 0.000 0.281 41 T C -1.288 173.412 174.700 -0.000 0.000 0.994 41 T CA -1.729 60.371 62.100 0.001 0.000 1.015 41 T CB 0.947 69.816 68.868 0.001 0.000 1.028 41 T HN 0.281 nan 8.240 nan 0.000 0.523 42 P HA -0.061 nan 4.420 nan 0.000 0.228 42 P C 1.167 178.466 177.300 -0.001 0.000 1.151 42 P CA 0.784 63.883 63.100 -0.001 0.000 0.770 42 P CB 0.239 31.938 31.700 -0.002 0.000 0.786 43 Q N -0.202 119.598 119.800 -0.001 0.000 2.089 43 Q HA 0.180 4.520 4.340 -0.000 0.000 0.195 43 Q C 1.469 177.469 176.000 -0.000 0.000 0.963 43 Q CA 1.911 57.713 55.803 -0.001 0.000 0.834 43 Q CB -0.225 28.513 28.738 -0.000 0.000 0.906 43 Q HN 0.280 nan 8.270 nan 0.000 0.452 44 G N -0.855 107.946 108.800 0.001 0.000 2.693 44 G HA2 0.138 4.098 3.960 -0.000 0.000 0.119 44 G HA3 0.138 4.098 3.960 -0.000 0.000 0.119 44 G C -1.327 173.575 174.900 0.004 0.000 1.063 44 G CA -0.110 44.992 45.100 0.002 0.000 1.405 44 G HN 0.190 nan 8.290 nan 0.000 0.626 45 K N -0.357 120.046 120.400 0.005 0.000 2.426 45 K HA 0.797 5.117 4.320 -0.000 0.000 0.251 45 K C -1.833 174.773 176.600 0.010 0.000 0.941 45 K CA -0.915 55.377 56.287 0.008 0.000 0.808 45 K CB 2.918 35.424 32.500 0.010 0.000 1.265 45 K HN 0.571 nan 8.250 nan 0.000 0.432 46 L N 2.877 124.107 121.223 0.012 0.000 2.324 46 L HA 0.312 4.652 4.340 -0.000 0.000 0.274 46 L C -1.377 175.505 176.870 0.020 0.000 1.012 46 L CA -0.571 54.278 54.840 0.014 0.000 0.859 46 L CB 1.543 43.609 42.059 0.011 0.000 1.224 46 L HN 0.573 nan 8.230 nan 0.000 0.429 47 V N 6.260 126.187 119.914 0.022 0.000 2.488 47 V HA 0.350 4.470 4.120 -0.000 0.000 0.277 47 V C 0.391 176.505 176.094 0.034 0.000 1.046 47 V CA -0.325 61.992 62.300 0.028 0.000 0.986 47 V CB 0.798 32.636 31.823 0.025 0.000 0.989 47 V HN 0.593 nan 8.190 nan 0.000 0.475 48 L N 3.984 125.234 121.223 0.044 0.000 2.333 48 L HA 0.693 5.033 4.340 -0.000 0.000 0.269 48 L C -0.116 176.790 176.870 0.060 0.000 1.010 48 L CA -0.538 54.332 54.840 0.050 0.000 0.818 48 L CB 2.219 44.310 42.059 0.054 0.000 1.306 48 L HN 0.633 nan 8.230 nan 0.000 0.430 49 E N 1.303 121.541 120.200 0.063 0.000 2.199 49 E HA 0.366 4.716 4.350 -0.000 0.000 0.265 49 E C -1.328 175.311 176.600 0.065 0.000 0.882 49 E CA -0.752 55.691 56.400 0.072 0.000 0.759 49 E CB 2.426 32.181 29.700 0.091 0.000 1.148 49 E HN 0.333 nan 8.360 nan 0.000 0.412 50 V N 3.898 123.850 119.914 0.065 0.000 2.529 50 V HA 0.085 4.205 4.120 -0.000 0.000 0.292 50 V C 0.917 177.038 176.094 0.044 0.000 1.028 50 V CA 0.989 63.330 62.300 0.068 0.000 1.074 50 V CB 0.753 32.622 31.823 0.078 0.000 0.958 50 V HN 0.867 nan 8.190 nan 0.000 0.481 51 A N 4.306 127.156 122.820 0.050 0.000 2.026 51 A HA 0.333 4.653 4.320 -0.000 0.000 0.201 51 A C 0.603 178.205 177.584 0.031 0.000 1.318 51 A CA 0.402 52.454 52.037 0.025 0.000 0.857 51 A CB 0.360 19.373 19.000 0.023 0.000 0.939 51 A HN 0.909 nan 8.150 nan 0.000 0.476 52 Q N -1.040 118.804 119.800 0.074 0.000 2.403 52 Q HA 0.352 4.692 4.340 -0.000 0.000 0.267 52 Q C -1.649 174.462 176.000 0.184 0.000 0.991 52 Q CA -0.605 55.254 55.803 0.093 0.000 0.906 52 Q CB 0.550 29.320 28.738 0.055 0.000 1.422 52 Q HN 0.448 nan 8.270 nan 0.000 0.400 53 H N 2.996 122.069 119.070 0.004 0.000 3.004 53 H HA 0.153 4.709 4.556 -0.000 0.000 0.267 53 H C 0.620 175.961 175.328 0.020 0.000 1.165 53 H CA -0.138 55.917 56.048 0.012 0.000 1.450 53 H CB 0.842 30.603 29.762 -0.002 0.000 1.488 53 H HN 0.595 nan 8.280 nan 0.000 0.478 54 L N 2.979 124.256 121.223 0.089 0.000 2.201 54 L HA -0.029 4.311 4.340 -0.000 0.000 0.212 54 L C 1.262 178.165 176.870 0.057 0.000 1.105 54 L CA 0.969 55.846 54.840 0.062 0.000 0.775 54 L CB -0.053 42.034 42.059 0.047 0.000 0.913 54 L HN 0.875 nan 8.230 nan 0.000 0.440 55 G N -0.654 108.176 108.800 0.050 0.000 2.515 55 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 55 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 55 G C -0.195 174.735 174.900 0.050 0.000 1.274 55 G CA -0.473 44.656 45.100 0.048 0.000 0.874 55 G HN 0.256 nan 8.290 nan 0.000 0.631 56 E N -0.057 120.175 120.200 0.054 0.000 2.297 56 E HA -0.261 4.089 4.350 -0.000 0.000 0.228 56 E C 0.643 177.322 176.600 0.131 0.000 1.213 56 E CA 0.666 57.115 56.400 0.081 0.000 0.712 56 E CB -1.076 28.669 29.700 0.075 0.000 1.202 56 E HN 1.257 nan 8.360 nan 0.000 0.376 57 N N -1.450 117.276 118.700 0.042 0.000 2.741 57 N HA -0.142 4.598 4.740 -0.000 0.000 0.250 57 N C -1.039 174.439 175.510 -0.053 0.000 1.115 57 N CA 1.980 54.991 53.050 -0.064 0.000 0.724 57 N CB -1.092 37.296 38.487 -0.164 0.000 1.090 57 N HN 0.371 nan 8.380 nan 0.000 0.558 58 T N -0.770 113.810 114.554 0.044 0.000 2.861 58 T HA 0.708 5.058 4.350 -0.000 0.000 0.287 58 T C 0.297 174.997 174.700 0.000 0.000 1.003 58 T CA -0.565 61.594 62.100 0.098 0.000 0.977 58 T CB 2.535 71.504 68.868 0.168 0.000 0.996 58 T HN 0.135 nan 8.240 nan 0.000 0.448 59 V N 0.939 120.875 119.914 0.037 0.000 3.019 59 V HA 0.810 4.930 4.120 -0.000 0.000 0.317 59 V C -0.451 175.683 176.094 0.066 0.000 1.094 59 V CA -1.447 60.868 62.300 0.026 0.000 1.000 59 V CB 1.893 33.737 31.823 0.036 0.000 1.060 59 V HN 0.840 nan 8.190 nan 0.000 0.443 60 R N 1.387 121.929 120.500 0.071 0.000 2.393 60 R HA 0.690 5.030 4.340 -0.000 0.000 0.315 60 R C -0.442 175.896 176.300 0.063 0.000 0.952 60 R CA 0.127 56.262 56.100 0.059 0.000 0.842 60 R CB 1.534 31.863 30.300 0.048 0.000 1.163 60 R HN 1.152 nan 8.270 nan 0.000 0.450 61 T N 1.793 116.381 114.554 0.057 0.000 2.885 61 T HA 0.514 4.864 4.350 -0.000 0.000 0.285 61 T C 0.243 174.967 174.700 0.041 0.000 1.019 61 T CA -0.830 61.304 62.100 0.057 0.000 1.010 61 T CB 1.287 70.196 68.868 0.069 0.000 1.022 61 T HN 0.392 nan 8.240 nan 0.000 0.466 62 I N 2.064 122.657 120.570 0.040 0.000 2.331 62 I HA 0.517 4.687 4.170 -0.000 0.000 0.292 62 I C 0.757 176.893 176.117 0.032 0.000 0.998 62 I CA -1.090 60.228 61.300 0.030 0.000 1.267 62 I CB 1.325 39.342 38.000 0.028 0.000 1.386 62 I HN 0.900 nan 8.210 nan 0.000 0.476 63 A N 7.251 130.086 122.820 0.024 0.000 2.363 63 A HA 0.425 4.745 4.320 -0.000 0.000 0.270 63 A C 0.752 178.349 177.584 0.022 0.000 1.121 63 A CA -0.397 51.654 52.037 0.023 0.000 0.800 63 A CB 0.592 19.602 19.000 0.017 0.000 1.052 63 A HN 0.764 nan 8.150 nan 0.000 0.493 64 M N 0.782 120.397 119.600 0.024 0.000 2.495 64 M HA 0.167 4.647 4.480 -0.000 0.000 0.237 64 M C -0.088 176.223 176.300 0.019 0.000 1.131 64 M CA 0.647 55.961 55.300 0.023 0.000 1.032 64 M CB -0.803 31.813 32.600 0.026 0.000 1.513 64 M HN 0.753 nan 8.290 nan 0.000 0.488 65 D N -0.975 119.435 120.400 0.016 0.000 2.579 65 D HA 0.470 5.110 4.640 -0.000 0.000 0.257 65 D C -0.547 175.759 176.300 0.010 0.000 1.176 65 D CA -0.204 53.804 54.000 0.013 0.000 0.914 65 D CB 1.904 42.711 40.800 0.012 0.000 1.431 65 D HN 0.117 nan 8.370 nan 0.000 0.454 66 G N -0.631 108.174 108.800 0.008 0.000 2.432 66 G HA2 0.298 4.258 3.960 -0.000 0.000 0.239 66 G HA3 0.298 4.258 3.960 -0.000 0.000 0.239 66 G C 0.878 175.781 174.900 0.005 0.000 1.291 66 G CA 0.370 45.473 45.100 0.006 0.000 0.863 66 G HN 0.399 nan 8.290 nan 0.000 0.560 67 T N -0.696 113.861 114.554 0.004 0.000 3.235 67 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 67 T C 0.400 175.100 174.700 0.001 0.000 1.060 67 T CA -0.269 61.833 62.100 0.003 0.000 0.949 67 T CB -0.097 68.773 68.868 0.003 0.000 1.020 67 T HN 0.487 nan 8.240 nan 0.000 0.564 68 E N 1.528 121.728 120.200 0.001 0.000 2.463 68 E HA 0.415 4.765 4.350 -0.000 0.000 0.248 68 E C 1.361 177.960 176.600 -0.001 0.000 1.106 68 E CA 0.962 57.362 56.400 -0.000 0.000 0.946 68 E CB -0.527 29.173 29.700 -0.000 0.000 0.971 68 E HN 0.533 nan 8.360 nan 0.000 0.478 69 G N 2.703 111.501 108.800 -0.002 0.000 2.380 69 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.197 69 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.197 69 G C 0.180 175.078 174.900 -0.005 0.000 1.001 69 G CA -0.696 44.401 45.100 -0.003 0.000 0.668 69 G HN 0.414 nan 8.290 nan 0.000 0.483 70 L N 1.731 122.952 121.223 -0.004 0.000 2.525 70 L HA 0.415 4.755 4.340 -0.000 0.000 0.278 70 L C 0.435 177.299 176.870 -0.009 0.000 1.218 70 L CA 0.155 54.991 54.840 -0.007 0.000 0.878 70 L CB 1.054 43.110 42.059 -0.005 0.000 1.127 70 L HN 0.055 nan 8.230 nan 0.000 0.492 71 V N 3.942 123.849 119.914 -0.012 0.000 2.769 71 V HA 0.400 4.520 4.120 -0.000 0.000 0.312 71 V C 0.119 176.201 176.094 -0.020 0.000 1.061 71 V CA -1.023 61.268 62.300 -0.015 0.000 0.931 71 V CB 1.961 33.775 31.823 -0.014 0.000 1.010 71 V HN 0.675 nan 8.190 nan 0.000 0.433 72 R N 1.938 122.425 120.500 -0.022 0.000 2.570 72 R HA 0.404 4.744 4.340 -0.000 0.000 0.277 72 R C 1.193 177.473 176.300 -0.033 0.000 1.039 72 R CA 0.990 57.074 56.100 -0.028 0.000 1.065 72 R CB 0.136 30.419 30.300 -0.028 0.000 0.964 72 R HN 1.265 nan 8.270 nan 0.000 0.428 73 G N 1.388 110.163 108.800 -0.042 0.000 2.137 73 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.237 73 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.237 73 G C -0.040 174.831 174.900 -0.047 0.000 1.002 73 G CA -0.060 45.012 45.100 -0.047 0.000 0.702 73 G HN 0.623 nan 8.290 nan 0.000 0.515 74 E N 0.028 120.200 120.200 -0.048 0.000 2.283 74 E HA 0.427 4.777 4.350 -0.000 0.000 0.271 74 E C 0.508 177.072 176.600 -0.060 0.000 1.031 74 E CA -0.816 55.558 56.400 -0.043 0.000 0.868 74 E CB 0.646 30.328 29.700 -0.031 0.000 1.094 74 E HN 0.240 nan 8.360 nan 0.000 0.401 75 K N 1.829 122.200 120.400 -0.049 0.000 2.401 75 K HA 0.133 4.453 4.320 -0.000 0.000 0.278 75 K C -1.160 175.413 176.600 -0.045 0.000 1.018 75 K CA -0.152 56.103 56.287 -0.053 0.000 0.981 75 K CB 0.531 33.014 32.500 -0.028 0.000 0.933 75 K HN 0.174 nan 8.250 nan 0.000 0.477 76 V N 5.524 125.401 119.914 -0.061 0.000 2.656 76 V HA 0.346 4.466 4.120 -0.000 0.000 0.307 76 V C -0.834 175.303 176.094 0.071 0.000 1.051 76 V CA -1.071 61.224 62.300 -0.009 0.000 0.893 76 V CB 1.564 33.364 31.823 -0.037 0.000 0.999 76 V HN 0.638 nan 8.190 nan 0.000 0.426 77 L N 3.429 124.706 121.223 0.089 0.000 2.287 77 L HA 0.618 4.958 4.340 -0.000 0.000 0.287 77 L C -0.433 176.508 176.870 0.118 0.000 1.022 77 L CA 0.083 54.983 54.840 0.101 0.000 0.814 77 L CB 1.445 43.538 42.059 0.057 0.000 1.217 77 L HN 0.772 nan 8.230 nan 0.000 0.420 78 D N 1.393 121.869 120.400 0.125 0.000 2.225 78 D HA 0.240 4.880 4.640 -0.000 0.000 0.248 78 D C 0.883 177.201 176.300 0.030 0.000 1.096 78 D CA 0.015 54.054 54.000 0.066 0.000 0.863 78 D CB 1.564 42.361 40.800 -0.005 0.000 1.156 78 D HN 0.656 nan 8.370 nan 0.000 0.450 79 T N 0.532 115.098 114.554 0.020 0.000 3.065 79 T HA 0.291 4.641 4.350 -0.000 0.000 0.252 79 T C 1.629 176.329 174.700 0.000 0.000 1.099 79 T CA 0.375 62.483 62.100 0.012 0.000 1.063 79 T CB 0.093 68.970 68.868 0.015 0.000 0.948 79 T HN 0.653 nan 8.240 nan 0.000 0.506 80 G N 0.791 109.585 108.800 -0.010 0.000 2.304 80 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.252 80 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.252 80 G C 0.385 175.279 174.900 -0.011 0.000 1.014 80 G CA -0.067 45.022 45.100 -0.018 0.000 0.619 80 G HN 1.129 nan 8.290 nan 0.000 0.525 81 G N -0.208 108.592 108.800 -0.001 0.000 2.630 81 G HA2 0.765 4.725 3.960 -0.000 0.000 0.296 81 G HA3 0.765 4.725 3.960 -0.000 0.000 0.296 81 G C -2.772 172.141 174.900 0.022 0.000 1.285 81 G CA -0.839 44.266 45.100 0.008 0.000 0.958 81 G HN 0.207 nan 8.290 nan 0.000 0.479 82 P HA 0.208 nan 4.420 nan 0.000 0.275 82 P C 0.098 177.424 177.300 0.042 0.000 1.270 82 P CA -0.490 62.655 63.100 0.076 0.000 0.791 82 P CB 0.592 32.376 31.700 0.140 0.000 1.089 83 I N 0.122 120.718 120.570 0.042 0.000 2.752 83 I HA -0.064 4.106 4.170 -0.000 0.000 0.286 83 I C 0.590 176.689 176.117 -0.029 0.000 1.180 83 I CA 0.937 62.238 61.300 0.002 0.000 1.404 83 I CB -0.610 37.385 38.000 -0.007 0.000 1.389 83 I HN 0.156 nan 8.210 nan 0.000 0.549 84 S N 5.917 121.601 115.700 -0.025 0.000 2.554 84 S HA 0.613 5.083 4.470 -0.000 0.000 0.278 84 S C -0.215 174.355 174.600 -0.051 0.000 1.242 84 S CA -0.771 57.405 58.200 -0.040 0.000 1.051 84 S CB 1.650 64.829 63.200 -0.034 0.000 0.986 84 S HN 0.482 nan 8.310 nan 0.000 0.502 85 V N 0.813 120.686 119.914 -0.068 0.000 2.709 85 V HA 0.637 4.757 4.120 -0.000 0.000 0.308 85 V C -3.120 172.913 176.094 -0.102 0.000 1.062 85 V CA -3.116 59.140 62.300 -0.073 0.000 0.901 85 V CB 1.307 33.087 31.823 -0.071 0.000 1.003 85 V HN 0.513 nan 8.190 nan 0.000 0.425 86 P HA 0.344 nan 4.420 nan 0.000 0.271 86 P C -0.289 176.899 177.300 -0.187 0.000 1.220 86 P CA 0.102 63.122 63.100 -0.133 0.000 0.768 86 P CB 1.043 32.691 31.700 -0.087 0.000 0.848 87 V N 0.486 120.201 119.914 -0.332 0.000 3.019 87 V HA 1.009 5.129 4.120 -0.000 0.000 0.317 87 V C 0.297 176.026 176.094 -0.607 0.000 1.094 87 V CA -0.093 61.890 62.300 -0.529 0.000 1.000 87 V CB 1.127 32.419 31.823 -0.884 0.000 1.060 87 V HN 0.940 nan 8.190 nan 0.000 0.443 88 G N 2.603 111.028 108.800 -0.625 0.000 2.466 88 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.316 88 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.316 88 G C -0.021 174.800 174.900 -0.130 0.000 1.270 88 G CA -0.017 44.838 45.100 -0.409 0.000 0.982 88 G HN 0.952 nan 8.290 nan 0.000 0.506 89 R N 0.208 120.686 120.500 -0.036 0.000 2.316 89 R HA 0.069 4.409 4.340 -0.000 0.000 0.202 89 R C 1.676 177.982 176.300 0.009 0.000 1.029 89 R CA 1.063 57.167 56.100 0.008 0.000 1.018 89 R CB 0.022 30.313 30.300 -0.016 0.000 0.888 89 R HN 0.444 nan 8.270 nan 0.000 0.471 90 E N -0.107 120.088 120.200 -0.009 0.000 2.481 90 E HA -0.057 4.293 4.350 -0.000 0.000 0.195 90 E C 1.644 178.251 176.600 0.012 0.000 1.047 90 E CA 1.153 57.551 56.400 -0.004 0.000 0.867 90 E CB 0.359 30.043 29.700 -0.025 0.000 0.858 90 E HN 0.421 nan 8.360 nan 0.000 0.513 91 T N -1.462 113.110 114.554 0.029 0.000 2.978 91 T HA 0.059 4.409 4.350 -0.000 0.000 0.262 91 T C 1.305 176.051 174.700 0.076 0.000 1.063 91 T CA -0.059 62.073 62.100 0.055 0.000 1.140 91 T CB -0.266 68.650 68.868 0.079 0.000 0.886 91 T HN -0.031 nan 8.240 nan 0.000 0.470 92 L N 2.433 123.699 121.223 0.071 0.000 2.597 92 L HA 0.436 4.776 4.340 -0.000 0.000 0.271 92 L C 1.614 178.525 176.870 0.070 0.000 1.157 92 L CA 0.784 55.657 54.840 0.056 0.000 0.928 92 L CB -0.268 41.792 42.059 0.002 0.000 1.216 92 L HN 0.614 nan 8.230 nan 0.000 0.481 93 G N 1.916 110.772 108.800 0.093 0.000 2.201 93 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.212 93 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.212 93 G C 0.267 175.256 174.900 0.147 0.000 0.994 93 G CA -0.647 44.519 45.100 0.109 0.000 0.644 93 G HN 0.441 nan 8.290 nan 0.000 0.508 94 R N 0.036 120.612 120.500 0.126 0.000 2.720 94 R HA 0.773 5.113 4.340 -0.000 0.000 0.272 94 R C 0.155 176.533 176.300 0.130 0.000 0.991 94 R CA -0.918 55.250 56.100 0.113 0.000 1.010 94 R CB 0.881 31.224 30.300 0.072 0.000 1.141 94 R HN 0.309 nan 8.270 nan 0.000 0.494 95 I N 2.501 123.125 120.570 0.091 0.000 2.377 95 I HA 0.440 4.610 4.170 -0.000 0.000 0.293 95 I C 0.233 176.407 176.117 0.095 0.000 0.987 95 I CA -0.508 60.862 61.300 0.116 0.000 1.185 95 I CB 1.163 39.173 38.000 0.018 0.000 1.341 95 I HN 0.262 nan 8.210 nan 0.000 0.455 96 I N 4.662 125.313 120.570 0.136 0.000 2.957 96 I HA 0.407 4.576 4.170 -0.000 0.000 0.310 96 I C 0.013 176.189 176.117 0.098 0.000 1.063 96 I CA -0.832 60.519 61.300 0.086 0.000 1.033 96 I CB 1.737 39.772 38.000 0.059 0.000 1.230 96 I HN 0.517 nan 8.210 nan 0.000 0.447 97 N N 0.814 119.548 118.700 0.058 0.000 2.443 97 N HA 0.202 4.942 4.740 -0.000 0.000 0.294 97 N C 0.674 176.206 175.510 0.035 0.000 1.289 97 N CA -0.389 52.693 53.050 0.053 0.000 0.966 97 N CB 0.712 39.218 38.487 0.031 0.000 1.122 97 N HN 0.460 nan 8.380 nan 0.000 0.569 98 V N 0.603 120.533 119.914 0.027 0.000 2.649 98 V HA 0.035 4.154 4.120 -0.000 0.000 0.248 98 V C 1.647 177.737 176.094 -0.007 0.000 1.054 98 V CA 1.100 63.405 62.300 0.007 0.000 1.073 98 V CB -0.426 31.407 31.823 0.015 0.000 0.699 98 V HN 0.594 nan 8.190 nan 0.000 0.463 99 I N -0.992 119.579 120.570 0.002 0.000 3.564 99 I HA 0.426 4.596 4.170 -0.000 0.000 0.294 99 I C 1.465 177.575 176.117 -0.011 0.000 1.289 99 I CA 0.787 62.084 61.300 -0.004 0.000 1.325 99 I CB -0.742 37.260 38.000 0.004 0.000 1.039 99 I HN 0.384 nan 8.210 nan 0.000 0.474 100 G N 1.512 110.307 108.800 -0.009 0.000 2.149 100 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 100 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 100 G C -0.237 174.659 174.900 -0.007 0.000 1.018 100 G CA -0.187 44.905 45.100 -0.013 0.000 0.728 100 G HN 0.612 nan 8.290 nan 0.000 0.508 101 E N 0.304 120.505 120.200 0.002 0.000 2.212 101 E HA 0.454 4.804 4.350 -0.000 0.000 0.270 101 E C -2.574 174.032 176.600 0.009 0.000 0.956 101 E CA -2.180 54.222 56.400 0.003 0.000 0.825 101 E CB 1.855 31.556 29.700 0.002 0.000 1.167 101 E HN 0.106 nan 8.360 nan 0.000 0.400 102 P HA 0.115 nan 4.420 nan 0.000 0.282 102 P C -0.200 177.097 177.300 -0.004 0.000 1.262 102 P CA 0.133 63.236 63.100 0.005 0.000 0.773 102 P CB 0.128 31.829 31.700 0.002 0.000 0.879 103 I N -0.294 120.270 120.570 -0.010 0.000 3.424 103 I HA 0.326 4.496 4.170 -0.000 0.000 0.339 103 I C 0.027 176.090 176.117 -0.089 0.000 1.549 103 I CA -0.251 61.026 61.300 -0.038 0.000 1.049 103 I CB 0.146 38.129 38.000 -0.028 0.000 1.439 103 I HN 0.063 nan 8.210 nan 0.000 0.500 104 D N 0.200 120.552 120.400 -0.080 0.000 2.433 104 D HA 0.019 4.659 4.640 -0.000 0.000 0.211 104 D C 0.290 176.550 176.300 -0.066 0.000 1.114 104 D CA -0.236 53.689 54.000 -0.125 0.000 0.837 104 D CB -0.040 40.689 40.800 -0.117 0.000 0.984 104 D HN 0.432 nan 8.370 nan 0.000 0.505 105 E N 0.254 120.428 120.200 -0.042 0.000 2.271 105 E HA -0.230 4.120 4.350 -0.000 0.000 0.223 105 E C 0.082 176.679 176.600 -0.007 0.000 1.223 105 E CA 0.204 56.590 56.400 -0.023 0.000 0.704 105 E CB -0.877 28.806 29.700 -0.028 0.000 1.194 105 E HN 0.421 nan 8.360 nan 0.000 0.375 106 R N -0.384 120.116 120.500 0.001 0.000 2.549 106 R HA 0.293 4.633 4.340 -0.000 0.000 0.344 106 R C 0.701 177.006 176.300 0.010 0.000 0.979 106 R CA 0.265 56.372 56.100 0.012 0.000 1.140 106 R CB 1.571 31.887 30.300 0.026 0.000 1.377 106 R HN 0.358 nan 8.270 nan 0.000 0.541 107 G N 2.063 110.866 108.800 0.004 0.000 2.422 107 G HA2 -0.149 3.810 3.960 -0.000 0.000 0.607 107 G HA3 -0.149 3.810 3.960 -0.000 0.000 0.607 107 G C -2.832 172.069 174.900 0.001 0.000 1.270 107 G CA -1.199 43.903 45.100 0.003 0.000 0.992 107 G HN -0.033 nan 8.290 nan 0.000 0.499 108 P HA 0.517 nan 4.420 nan 0.000 0.274 108 P C -0.176 177.123 177.300 -0.003 0.000 1.231 108 P CA -0.301 62.797 63.100 -0.003 0.000 0.790 108 P CB 0.714 32.411 31.700 -0.005 0.000 0.951 109 I N 2.115 122.681 120.570 -0.007 0.000 2.276 109 I HA 0.180 4.350 4.170 -0.000 0.000 0.290 109 I C 0.892 176.997 176.117 -0.021 0.000 1.109 109 I CA -0.236 61.059 61.300 -0.010 0.000 1.229 109 I CB 0.014 38.010 38.000 -0.008 0.000 1.452 109 I HN 0.068 nan 8.210 nan 0.000 0.497 110 K N 5.204 125.593 120.400 -0.018 0.000 2.155 110 K HA 0.153 4.473 4.320 -0.000 0.000 0.240 110 K C 0.396 176.976 176.600 -0.034 0.000 1.193 110 K CA -0.252 56.020 56.287 -0.024 0.000 1.104 110 K CB 0.241 32.731 32.500 -0.016 0.000 1.558 110 K HN 0.661 nan 8.250 nan 0.000 0.313 111 S N 0.441 116.108 115.700 -0.054 0.000 2.669 111 S HA 0.217 4.687 4.470 -0.000 0.000 0.270 111 S C 0.929 175.481 174.600 -0.079 0.000 1.225 111 S CA -0.714 57.439 58.200 -0.079 0.000 0.991 111 S CB 1.677 64.802 63.200 -0.125 0.000 0.987 111 S HN 0.384 nan 8.310 nan 0.000 0.552 112 K N -0.374 119.973 120.400 -0.089 0.000 2.243 112 K HA 0.283 4.603 4.320 -0.000 0.000 0.201 112 K C 0.028 176.575 176.600 -0.089 0.000 1.051 112 K CA 0.628 56.874 56.287 -0.068 0.000 0.970 112 K CB -0.185 32.291 32.500 -0.040 0.000 0.755 112 K HN 0.487 nan 8.250 nan 0.000 0.465 113 L N 0.440 121.569 121.223 -0.157 0.000 2.354 113 L HA 0.434 4.774 4.340 -0.000 0.000 0.264 113 L C -0.624 176.133 176.870 -0.188 0.000 1.008 113 L CA -0.924 53.813 54.840 -0.171 0.000 0.819 113 L CB 2.228 44.151 42.059 -0.226 0.000 1.339 113 L HN -0.089 nan 8.230 nan 0.000 0.420 114 R N 2.141 122.559 120.500 -0.136 0.000 2.483 114 R HA 0.443 4.783 4.340 -0.000 0.000 0.303 114 R C -1.219 175.021 176.300 -0.099 0.000 0.987 114 R CA -0.739 55.289 56.100 -0.120 0.000 0.881 114 R CB 2.387 32.639 30.300 -0.080 0.000 1.177 114 R HN 0.482 nan 8.270 nan 0.000 0.451 115 K N 3.239 123.572 120.400 -0.110 0.000 2.208 115 K HA 0.451 4.771 4.320 -0.000 0.000 0.247 115 K C -2.392 174.172 176.600 -0.059 0.000 0.953 115 K CA -2.120 54.121 56.287 -0.077 0.000 0.837 115 K CB 1.959 34.410 32.500 -0.083 0.000 1.131 115 K HN 0.267 nan 8.250 nan 0.000 0.431 116 P HA -0.016 nan 4.420 nan 0.000 0.268 116 P C 0.678 177.937 177.300 -0.067 0.000 1.204 116 P CA 0.167 63.251 63.100 -0.028 0.000 0.768 116 P CB 0.311 32.020 31.700 0.014 0.000 0.842 117 I N 0.288 120.770 120.570 -0.146 0.000 2.394 117 I HA -0.064 4.106 4.170 -0.000 0.000 0.251 117 I C 0.881 176.824 176.117 -0.289 0.000 1.136 117 I CA 0.861 62.010 61.300 -0.252 0.000 1.425 117 I CB -0.890 36.895 38.000 -0.358 0.000 1.079 117 I HN 0.256 nan 8.210 nan 0.000 0.425 118 H N 2.360 121.426 119.070 -0.007 0.000 2.525 118 H HA 0.779 5.335 4.556 -0.000 0.000 0.339 118 H C -0.360 174.964 175.328 -0.007 0.000 1.109 118 H CA -0.177 55.868 56.048 -0.005 0.000 1.352 118 H CB 1.422 31.184 29.762 0.001 0.000 1.461 118 H HN 0.422 nan 8.280 nan 0.000 0.533 119 A N 2.792 125.676 122.820 0.107 0.000 2.589 119 A HA 0.241 4.561 4.320 -0.000 0.000 0.296 119 A C -0.995 176.617 177.584 0.047 0.000 1.062 119 A CA -0.991 51.081 52.037 0.058 0.000 0.686 119 A CB 1.324 20.342 19.000 0.031 0.000 1.282 119 A HN 0.588 nan 8.150 nan 0.000 0.404 120 D N 2.932 123.352 120.400 0.034 0.000 2.455 120 D HA 0.357 4.997 4.640 -0.000 0.000 0.241 120 D C -2.056 174.258 176.300 0.024 0.000 1.138 120 D CA 0.026 54.042 54.000 0.027 0.000 0.877 120 D CB 0.600 41.413 40.800 0.021 0.000 1.187 120 D HN 0.321 nan 8.370 nan 0.000 0.451 121 P HA 0.228 nan 4.420 nan 0.000 0.279 121 P C -2.536 174.779 177.300 0.025 0.000 1.239 121 P CA -1.351 61.761 63.100 0.021 0.000 0.789 121 P CB -0.196 31.518 31.700 0.024 0.000 0.933 122 P HA -0.081 nan 4.420 nan 0.000 0.257 122 P C 0.693 178.012 177.300 0.033 0.000 1.153 122 P CA 0.630 63.740 63.100 0.017 0.000 0.762 122 P CB -0.060 31.644 31.700 0.006 0.000 0.743 123 S N 3.023 118.746 115.700 0.037 0.000 2.606 123 S HA 0.073 4.543 4.470 -0.000 0.000 0.257 123 S C 1.015 175.673 174.600 0.096 0.000 1.327 123 S CA -0.408 57.837 58.200 0.074 0.000 0.984 123 S CB 0.054 63.296 63.200 0.070 0.000 0.941 123 S HN 0.384 nan 8.310 nan 0.000 0.576 124 F N 1.280 121.231 119.950 0.002 0.000 2.216 124 F HA 0.072 4.599 4.527 -0.000 0.000 0.300 124 F C 2.340 178.140 175.800 0.000 0.000 1.085 124 F CA 1.374 59.374 58.000 0.001 0.000 1.326 124 F CB -0.981 38.019 39.000 0.000 0.000 1.027 124 F HN 0.696 nan 8.300 nan 0.000 0.497 125 A N -0.077 122.696 122.820 -0.078 0.000 1.969 125 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 125 A C 1.969 179.443 177.584 -0.184 0.000 1.169 125 A CA 1.581 53.518 52.037 -0.166 0.000 0.635 125 A CB -0.779 18.214 19.000 -0.012 0.000 0.810 125 A HN 0.541 nan 8.150 nan 0.000 0.445 126 E N 0.188 120.315 120.200 -0.121 0.000 2.511 126 E HA -0.014 4.336 4.350 -0.000 0.000 0.196 126 E C -0.091 176.438 176.600 -0.117 0.000 1.066 126 E CA -0.131 56.214 56.400 -0.092 0.000 0.871 126 E CB 0.104 29.777 29.700 -0.045 0.000 0.863 126 E HN 0.498 nan 8.360 nan 0.000 0.520 127 Q N 0.422 120.103 119.800 -0.198 0.000 2.296 127 Q HA 0.193 4.533 4.340 -0.000 0.000 0.262 127 Q C -0.607 175.303 176.000 -0.150 0.000 0.981 127 Q CA 0.172 55.868 55.803 -0.178 0.000 0.905 127 Q CB 1.795 30.380 28.738 -0.254 0.000 1.186 127 Q HN -0.085 nan 8.270 nan 0.000 0.399 128 S N 1.719 117.364 115.700 -0.091 0.000 2.707 128 S HA 0.566 5.036 4.470 -0.000 0.000 0.303 128 S C -0.881 173.692 174.600 -0.045 0.000 1.132 128 S CA -0.492 57.667 58.200 -0.068 0.000 1.046 128 S CB 0.726 63.894 63.200 -0.052 0.000 1.004 128 S HN 0.601 nan 8.310 nan 0.000 0.483 129 T N 0.925 115.455 114.554 -0.039 0.000 2.907 129 T HA 0.878 5.228 4.350 -0.000 0.000 0.292 129 T C -0.627 174.065 174.700 -0.013 0.000 1.043 129 T CA -0.847 61.240 62.100 -0.021 0.000 1.003 129 T CB 1.586 70.444 68.868 -0.015 0.000 1.084 129 T HN 0.761 nan 8.240 nan 0.000 0.483 130 S N -0.030 115.668 115.700 -0.003 0.000 2.535 130 S HA 0.659 5.129 4.470 -0.000 0.000 0.272 130 S C -0.506 174.100 174.600 0.010 0.000 1.149 130 S CA -0.864 57.336 58.200 0.001 0.000 0.888 130 S CB 1.228 64.427 63.200 -0.001 0.000 1.110 130 S HN 1.422 nan 8.310 nan 0.000 0.463 131 A N 1.648 124.474 122.820 0.010 0.000 3.056 131 A HA 0.512 4.832 4.320 -0.000 0.000 0.274 131 A C 0.234 177.831 177.584 0.021 0.000 1.661 131 A CA -0.298 51.749 52.037 0.016 0.000 1.363 131 A CB -0.767 18.238 19.000 0.008 0.000 1.139 131 A HN 0.778 nan 8.150 nan 0.000 0.598 132 E N 2.140 122.357 120.200 0.029 0.000 2.129 132 E HA 0.446 4.796 4.350 -0.000 0.000 0.268 132 E C -0.873 175.758 176.600 0.052 0.000 0.900 132 E CA -0.671 55.750 56.400 0.034 0.000 0.755 132 E CB 0.716 30.433 29.700 0.028 0.000 1.117 132 E HN 0.563 nan 8.360 nan 0.000 0.410 133 I N 5.064 125.668 120.570 0.055 0.000 2.587 133 I HA -0.054 4.116 4.170 -0.000 0.000 0.284 133 I C 0.081 176.245 176.117 0.078 0.000 1.134 133 I CA -0.031 61.312 61.300 0.072 0.000 1.410 133 I CB 0.246 38.289 38.000 0.072 0.000 1.392 133 I HN 0.489 nan 8.210 nan 0.000 0.545 134 L N 8.215 129.501 121.223 0.106 0.000 2.268 134 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 134 L C 0.360 177.291 176.870 0.102 0.000 1.064 134 L CA 0.140 55.048 54.840 0.115 0.000 0.824 134 L CB 0.487 42.636 42.059 0.150 0.000 1.202 134 L HN 0.533 nan 8.230 nan 0.000 0.433 135 E N 2.145 122.386 120.200 0.069 0.000 2.413 135 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 135 E C 0.264 176.889 176.600 0.041 0.000 1.015 135 E CA 0.757 57.181 56.400 0.041 0.000 0.916 135 E CB 0.808 30.527 29.700 0.030 0.000 0.947 135 E HN 0.838 nan 8.360 nan 0.000 0.440 136 T N 0.141 114.697 114.554 0.004 0.000 3.019 136 T HA 0.300 4.650 4.350 -0.000 0.000 0.247 136 T C 1.283 175.958 174.700 -0.042 0.000 0.992 136 T CA 0.333 62.431 62.100 -0.004 0.000 1.036 136 T CB 0.487 69.336 68.868 -0.032 0.000 1.063 136 T HN 0.729 nan 8.240 nan 0.000 0.476 137 G N 1.774 110.552 108.800 -0.037 0.000 2.157 137 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.239 137 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.239 137 G C -0.102 174.787 174.900 -0.019 0.000 0.982 137 G CA -0.010 45.070 45.100 -0.034 0.000 0.650 137 G HN 0.670 nan 8.290 nan 0.000 0.527 138 I N 0.551 121.109 120.570 -0.020 0.000 2.355 138 I HA 0.327 4.497 4.170 -0.000 0.000 0.288 138 I C 1.456 177.587 176.117 0.022 0.000 0.999 138 I CA -0.924 60.406 61.300 0.050 0.000 1.163 138 I CB 1.524 39.553 38.000 0.048 0.000 1.316 138 I HN -0.056 nan 8.210 nan 0.000 0.454 139 K N 3.295 123.711 120.400 0.027 0.000 2.001 139 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 139 K C 1.807 178.351 176.600 -0.094 0.000 1.050 139 K CA 1.444 57.710 56.287 -0.035 0.000 0.934 139 K CB -0.060 32.432 32.500 -0.013 0.000 0.718 139 K HN 0.548 nan 8.250 nan 0.000 0.443 140 V N 0.959 120.854 119.914 -0.032 0.000 2.626 140 V HA -0.170 3.950 4.120 -0.000 0.000 0.252 140 V C 1.875 177.947 176.094 -0.036 0.000 1.067 140 V CA 1.356 63.626 62.300 -0.050 0.000 1.081 140 V CB 0.078 31.924 31.823 0.039 0.000 0.686 140 V HN 0.122 nan 8.190 nan 0.000 0.468 141 V N -0.139 119.768 119.914 -0.011 0.000 2.300 141 V HA -0.106 4.014 4.120 -0.000 0.000 0.241 141 V C 2.332 178.343 176.094 -0.137 0.000 1.034 141 V CA 2.099 64.337 62.300 -0.103 0.000 1.021 141 V CB -0.703 31.005 31.823 -0.192 0.000 0.662 141 V HN 0.490 nan 8.190 nan 0.000 0.458 142 D N -0.010 120.323 120.400 -0.112 0.000 2.182 142 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 142 D C 1.844 178.150 176.300 0.011 0.000 0.986 142 D CA 1.209 55.172 54.000 -0.062 0.000 0.847 142 D CB -0.075 40.687 40.800 -0.063 0.000 0.942 142 D HN 0.298 nan 8.370 nan 0.000 0.467 143 L N -0.306 120.880 121.223 -0.061 0.000 2.084 143 L HA 0.048 4.388 4.340 -0.000 0.000 0.202 143 L C 1.961 178.881 176.870 0.084 0.000 1.074 143 L CA 1.410 56.235 54.840 -0.026 0.000 0.757 143 L CB -0.257 41.605 42.059 -0.327 0.000 0.918 143 L HN -0.033 nan 8.230 nan 0.000 0.444 144 L N -1.097 120.103 121.223 -0.039 0.000 2.425 144 L HA 0.371 4.711 4.340 -0.000 0.000 0.215 144 L C 0.654 177.515 176.870 -0.015 0.000 1.065 144 L CA 0.459 55.272 54.840 -0.045 0.000 0.842 144 L CB -0.087 41.926 42.059 -0.077 0.000 1.033 144 L HN 0.212 nan 8.230 nan 0.000 0.474 145 A N 0.605 123.419 122.820 -0.010 0.000 3.127 145 A HA 0.550 4.870 4.320 -0.000 0.000 0.319 145 A C -2.695 174.875 177.584 -0.022 0.000 1.104 145 A CA -0.951 51.099 52.037 0.022 0.000 0.802 145 A CB -0.080 18.960 19.000 0.068 0.000 1.193 145 A HN -0.155 nan 8.150 nan 0.000 0.479 146 P HA 0.334 nan 4.420 nan 0.000 0.281 146 P C -0.644 176.715 177.300 0.098 0.000 1.252 146 P CA 0.114 63.198 63.100 -0.027 0.000 0.778 146 P CB 0.277 32.000 31.700 0.038 0.000 0.895 147 Y N 1.369 121.717 120.300 0.079 0.000 2.357 147 Y HA 0.450 5.000 4.550 -0.000 0.000 0.340 147 Y C 1.173 177.103 175.900 0.050 0.000 1.260 147 Y CA -1.176 56.964 58.100 0.066 0.000 1.425 147 Y CB -0.127 38.376 38.460 0.071 0.000 1.326 147 Y HN 0.368 nan 8.280 nan 0.000 0.580 148 A N 2.565 125.511 122.820 0.211 0.000 2.340 148 A HA 0.610 4.930 4.320 -0.000 0.000 0.331 148 A C -0.141 177.492 177.584 0.083 0.000 1.140 148 A CA -1.072 51.034 52.037 0.116 0.000 0.801 148 A CB 0.779 19.826 19.000 0.079 0.000 1.234 148 A HN 0.771 nan 8.150 nan 0.000 0.469 149 R N 0.511 121.051 120.500 0.066 0.000 2.489 149 R HA 0.357 4.697 4.340 -0.000 0.000 0.287 149 R C 1.155 177.470 176.300 0.025 0.000 1.053 149 R CA 1.252 57.381 56.100 0.049 0.000 1.036 149 R CB 0.412 30.742 30.300 0.050 0.000 0.966 149 R HN 1.620 nan 8.270 nan 0.000 0.432 150 G N 1.978 110.783 108.800 0.009 0.000 2.153 150 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.252 150 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.252 150 G C 0.438 175.328 174.900 -0.018 0.000 0.994 150 G CA 0.205 45.301 45.100 -0.007 0.000 0.698 150 G HN 0.862 nan 8.290 nan 0.000 0.521 151 G N -0.924 107.863 108.800 -0.021 0.000 2.537 151 G HA2 0.632 4.592 3.960 -0.000 0.000 0.297 151 G HA3 0.632 4.592 3.960 -0.000 0.000 0.297 151 G C -0.256 174.606 174.900 -0.063 0.000 1.310 151 G CA -0.754 44.332 45.100 -0.023 0.000 1.027 151 G HN 0.383 nan 8.290 nan 0.000 0.505 152 K N -0.131 120.237 120.400 -0.053 0.000 2.307 152 K HA 0.486 4.806 4.320 -0.000 0.000 0.263 152 K C -0.965 175.574 176.600 -0.102 0.000 0.973 152 K CA -0.197 56.040 56.287 -0.082 0.000 0.846 152 K CB 2.089 34.566 32.500 -0.038 0.000 1.100 152 K HN 0.250 nan 8.250 nan 0.000 0.438 153 I N 1.510 121.963 120.570 -0.196 0.000 2.433 153 I HA 0.403 4.573 4.170 -0.000 0.000 0.292 153 I C 0.237 176.227 176.117 -0.213 0.000 1.001 153 I CA -0.705 60.424 61.300 -0.284 0.000 1.119 153 I CB 2.156 39.788 38.000 -0.613 0.000 1.289 153 I HN 0.639 nan 8.210 nan 0.000 0.438 154 G N 6.731 115.459 108.800 -0.119 0.000 2.544 154 G HA2 0.696 4.656 3.960 -0.000 0.000 0.313 154 G HA3 0.696 4.656 3.960 -0.000 0.000 0.313 154 G C -0.964 173.872 174.900 -0.106 0.000 1.316 154 G CA -0.506 44.498 45.100 -0.161 0.000 0.944 154 G HN 0.461 nan 8.290 nan 0.000 0.489 155 L N 2.418 123.507 121.223 -0.223 0.000 2.301 155 L HA 0.428 4.768 4.340 -0.000 0.000 0.278 155 L C -0.776 175.970 176.870 -0.206 0.000 1.022 155 L CA -0.646 54.104 54.840 -0.150 0.000 0.854 155 L CB 0.670 42.649 42.059 -0.133 0.000 1.226 155 L HN 0.317 nan 8.230 nan 0.000 0.429 156 F N 1.414 121.306 119.950 -0.096 0.000 2.396 156 F HA 0.673 5.200 4.527 -0.000 0.000 0.343 156 F C 1.048 176.808 175.800 -0.068 0.000 1.104 156 F CA -0.205 57.741 58.000 -0.090 0.000 1.161 156 F CB 1.753 40.707 39.000 -0.076 0.000 1.146 156 F HN 0.428 nan 8.300 nan 0.000 0.522 157 G N 1.338 110.176 108.800 0.063 0.000 2.768 157 G HA2 0.493 4.453 3.960 -0.000 0.000 0.297 157 G HA3 0.493 4.453 3.960 -0.000 0.000 0.297 157 G C -0.520 174.323 174.900 -0.095 0.000 1.430 157 G CA -0.506 44.606 45.100 0.020 0.000 1.030 157 G HN 0.936 nan 8.290 nan 0.000 0.553 158 G N -0.062 108.669 108.800 -0.114 0.000 2.683 158 G HA2 0.608 4.568 3.960 -0.000 0.000 0.260 158 G HA3 0.608 4.568 3.960 -0.000 0.000 0.260 158 G C 0.764 175.627 174.900 -0.061 0.000 1.238 158 G CA 0.326 45.294 45.100 -0.220 0.000 0.934 158 G HN 1.624 nan 8.290 nan 0.000 0.534 159 A N -0.898 121.937 122.820 0.025 0.000 2.473 159 A HA 0.537 4.857 4.320 -0.000 0.000 0.282 159 A C 1.357 179.018 177.584 0.129 0.000 1.163 159 A CA 0.923 53.098 52.037 0.229 0.000 0.827 159 A CB -0.814 18.358 19.000 0.286 0.000 1.098 159 A HN 2.508 nan 8.150 nan 0.000 0.515 160 G N 1.009 109.886 108.800 0.128 0.000 2.131 160 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.201 160 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.201 160 G C 0.608 175.567 174.900 0.098 0.000 1.000 160 G CA 0.555 45.710 45.100 0.090 0.000 0.680 160 G HN 1.955 nan 8.290 nan 0.000 0.514 161 V N -3.356 116.628 119.914 0.117 0.000 3.125 161 V HA 0.681 4.801 4.120 -0.000 0.000 0.249 161 V C 1.573 177.797 176.094 0.217 0.000 1.113 161 V CA 1.178 63.575 62.300 0.161 0.000 1.106 161 V CB 0.533 32.423 31.823 0.110 0.000 0.768 161 V HN 2.129 nan 8.190 nan 0.000 0.468 162 G N 0.595 109.495 108.800 0.168 0.000 2.398 162 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.221 162 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.221 162 G C 0.188 175.235 174.900 0.246 0.000 1.112 162 G CA 0.087 45.304 45.100 0.195 0.000 0.823 162 G HN 0.383 nan 8.290 nan 0.000 0.487 163 K N -0.456 120.058 120.400 0.190 0.000 2.076 163 K HA 0.030 4.350 4.320 -0.000 0.000 0.204 163 K C 2.523 179.266 176.600 0.239 0.000 1.051 163 K CA 1.618 58.018 56.287 0.188 0.000 0.949 163 K CB -0.072 32.508 32.500 0.133 0.000 0.726 163 K HN 0.260 nan 8.250 nan 0.000 0.443 164 T N 1.423 116.102 114.554 0.208 0.000 2.643 164 T HA -0.118 4.232 4.350 -0.000 0.000 0.264 164 T C 2.098 176.926 174.700 0.213 0.000 1.045 164 T CA 1.315 63.539 62.100 0.207 0.000 1.155 164 T CB -0.307 68.664 68.868 0.171 0.000 0.863 164 T HN -0.090 nan 8.240 nan 0.000 0.420 165 V N 1.016 121.059 119.914 0.215 0.000 2.282 165 V HA -0.188 3.932 4.120 -0.000 0.000 0.249 165 V C 2.046 178.303 176.094 0.273 0.000 1.057 165 V CA 1.839 64.279 62.300 0.234 0.000 1.032 165 V CB -0.742 31.221 31.823 0.233 0.000 0.645 165 V HN 0.385 nan 8.190 nan 0.000 0.447 166 F N -0.242 119.842 119.950 0.223 0.000 2.102 166 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 166 F C 2.169 178.050 175.800 0.135 0.000 1.105 166 F CA 1.674 59.817 58.000 0.238 0.000 1.239 166 F CB -0.192 38.971 39.000 0.272 0.000 0.991 166 F HN 0.010 nan 8.300 nan 0.000 0.474 167 I N -0.105 120.711 120.570 0.410 0.000 2.226 167 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 167 I C 2.342 178.513 176.117 0.090 0.000 1.100 167 I CA 1.481 62.966 61.300 0.308 0.000 1.374 167 I CB -0.365 37.834 38.000 0.332 0.000 1.057 167 I HN 0.256 nan 8.210 nan 0.000 0.413 168 Q N -0.259 119.569 119.800 0.047 0.000 2.226 168 Q HA -0.283 4.056 4.340 -0.000 0.000 0.204 168 Q C 1.873 177.781 176.000 -0.152 0.000 0.975 168 Q CA 1.467 57.228 55.803 -0.070 0.000 0.866 168 Q CB -0.006 28.722 28.738 -0.016 0.000 0.915 168 Q HN 0.375 nan 8.270 nan 0.000 0.440 169 E N 0.427 120.498 120.200 -0.215 0.000 2.230 169 E HA -0.044 4.306 4.350 -0.000 0.000 0.192 169 E C 1.594 177.994 176.600 -0.334 0.000 0.987 169 E CA 0.369 56.522 56.400 -0.411 0.000 0.841 169 E CB 0.069 29.201 29.700 -0.947 0.000 0.783 169 E HN 0.260 nan 8.360 nan 0.000 0.481 170 L N -0.097 121.015 121.223 -0.186 0.000 2.156 170 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 170 L C 2.068 178.958 176.870 0.033 0.000 1.095 170 L CA 0.629 55.479 54.840 0.016 0.000 0.770 170 L CB -0.200 42.030 42.059 0.285 0.000 0.914 170 L HN 0.205 nan 8.230 nan 0.000 0.439 171 I N -0.252 120.199 120.570 -0.199 0.000 2.113 171 I HA -0.314 3.856 4.170 -0.000 0.000 0.238 171 I C 2.296 178.313 176.117 -0.168 0.000 1.070 171 I CA 1.513 62.604 61.300 -0.348 0.000 1.332 171 I CB -0.428 37.246 38.000 -0.543 0.000 1.044 171 I HN 0.291 nan 8.210 nan 0.000 0.402 172 N N 1.225 119.823 118.700 -0.170 0.000 2.094 172 N HA -0.214 4.526 4.740 -0.000 0.000 0.191 172 N C 1.494 176.945 175.510 -0.099 0.000 1.023 172 N CA 1.706 54.676 53.050 -0.132 0.000 0.857 172 N CB -0.126 38.273 38.487 -0.148 0.000 1.013 172 N HN 0.215 nan 8.380 nan 0.000 0.426 173 N N -0.829 117.806 118.700 -0.107 0.000 2.422 173 N HA 0.143 4.883 4.740 -0.000 0.000 0.181 173 N C 0.923 176.424 175.510 -0.015 0.000 1.080 173 N CA 0.485 53.490 53.050 -0.076 0.000 0.893 173 N CB 0.555 38.971 38.487 -0.119 0.000 0.973 173 N HN 0.423 nan 8.380 nan 0.000 0.456 174 I N -1.166 119.412 120.570 0.014 0.000 3.878 174 I HA 0.159 4.329 4.170 -0.000 0.000 0.273 174 I C 1.802 177.953 176.117 0.056 0.000 1.165 174 I CA 0.168 61.504 61.300 0.059 0.000 1.360 174 I CB -0.147 37.910 38.000 0.096 0.000 1.539 174 I HN -0.135 nan 8.210 nan 0.000 0.447 175 A N 1.422 124.268 122.820 0.044 0.000 1.978 175 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 175 A C 2.119 179.722 177.584 0.032 0.000 1.170 175 A CA 1.604 53.656 52.037 0.025 0.000 0.636 175 A CB -0.433 18.579 19.000 0.020 0.000 0.810 175 A HN 0.274 nan 8.150 nan 0.000 0.448 176 K N -0.121 120.286 120.400 0.010 0.000 1.974 176 K HA -0.013 4.307 4.320 -0.000 0.000 0.226 176 K C 1.047 177.671 176.600 0.039 0.000 1.039 176 K CA 1.064 57.357 56.287 0.009 0.000 1.022 176 K CB -0.426 32.066 32.500 -0.013 0.000 0.746 176 K HN 0.373 nan 8.250 nan 0.000 0.445 177 A N 1.394 124.236 122.820 0.037 0.000 2.376 177 A HA 0.120 4.440 4.320 -0.000 0.000 0.298 177 A C 0.052 177.695 177.584 0.099 0.000 1.271 177 A CA 0.095 52.157 52.037 0.041 0.000 0.926 177 A CB -0.135 18.875 19.000 0.016 0.000 1.141 177 A HN 0.646 nan 8.150 nan 0.000 0.539 178 H N 1.524 120.575 119.070 -0.033 0.000 1.933 178 H HA 0.380 4.935 4.556 -0.000 0.000 0.174 178 H C 1.220 176.508 175.328 -0.066 0.000 0.918 178 H CA 1.466 57.493 56.048 -0.035 0.000 0.958 178 H CB 0.483 30.232 29.762 -0.021 0.000 1.056 178 H HN 1.167 nan 8.280 nan 0.000 0.350 179 G N -0.287 108.353 108.800 -0.268 0.000 2.391 179 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.204 179 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.204 179 G C 0.811 175.470 174.900 -0.401 0.000 1.012 179 G CA 0.166 45.061 45.100 -0.341 0.000 0.651 179 G HN 0.904 nan 8.290 nan 0.000 0.494 180 G N -0.616 107.935 108.800 -0.415 0.000 3.107 180 G HA2 0.690 4.650 3.960 -0.000 0.000 0.232 180 G HA3 0.690 4.650 3.960 -0.000 0.000 0.232 180 G C -0.796 173.937 174.900 -0.280 0.000 1.339 180 G CA -1.004 43.871 45.100 -0.374 0.000 1.033 180 G HN 0.304 nan 8.290 nan 0.000 0.567 181 F N -0.035 119.911 119.950 -0.006 0.000 2.425 181 F HA 0.664 5.191 4.527 -0.000 0.000 0.331 181 F C 0.720 176.425 175.800 -0.160 0.000 1.085 181 F CA -0.581 57.314 58.000 -0.176 0.000 1.028 181 F CB 2.209 40.867 39.000 -0.571 0.000 1.177 181 F HN 0.152 nan 8.300 nan 0.000 0.487 182 S N 0.874 116.623 115.700 0.082 0.000 2.532 182 S HA 0.807 5.277 4.470 -0.000 0.000 0.301 182 S C -1.082 173.558 174.600 0.067 0.000 1.083 182 S CA -0.723 57.522 58.200 0.076 0.000 1.025 182 S CB 2.057 65.348 63.200 0.153 0.000 1.056 182 S HN 0.307 nan 8.310 nan 0.000 0.494 183 V N 3.012 122.988 119.914 0.104 0.000 2.577 183 V HA 0.464 4.584 4.120 -0.000 0.000 0.303 183 V C -1.244 174.963 176.094 0.187 0.000 1.042 183 V CA -0.683 61.684 62.300 0.112 0.000 0.872 183 V CB 1.381 33.240 31.823 0.059 0.000 0.998 183 V HN 0.848 nan 8.190 nan 0.000 0.423 184 F N 3.604 123.577 119.950 0.037 0.000 2.385 184 F HA 0.618 5.145 4.527 -0.000 0.000 0.360 184 F C 0.437 176.129 175.800 -0.180 0.000 1.122 184 F CA 0.021 58.020 58.000 -0.001 0.000 1.090 184 F CB 1.423 40.411 39.000 -0.020 0.000 1.150 184 F HN 0.484 nan 8.300 nan 0.000 0.472 185 T N 5.318 119.526 114.554 -0.577 0.000 2.821 185 T HA 0.430 4.780 4.350 -0.000 0.000 0.307 185 T C 0.318 174.626 174.700 -0.653 0.000 1.034 185 T CA -0.600 61.199 62.100 -0.502 0.000 0.953 185 T CB 0.855 69.539 68.868 -0.308 0.000 0.968 185 T HN 0.844 nan 8.240 nan 0.000 0.462 186 G N 1.867 110.301 108.800 -0.610 0.000 2.364 186 G HA2 0.504 4.464 3.960 -0.000 0.000 0.267 186 G HA3 0.504 4.464 3.960 -0.000 0.000 0.267 186 G C -0.606 174.242 174.900 -0.088 0.000 1.233 186 G CA -0.346 44.608 45.100 -0.243 0.000 0.885 186 G HN 0.643 nan 8.290 nan 0.000 0.490 187 V N 2.332 122.232 119.914 -0.024 0.000 2.419 187 V HA 0.583 4.703 4.120 -0.000 0.000 0.287 187 V C 0.918 177.045 176.094 0.054 0.000 1.017 187 V CA 0.152 62.458 62.300 0.011 0.000 0.844 187 V CB 0.923 32.734 31.823 -0.019 0.000 1.011 187 V HN 1.541 nan 8.190 nan 0.000 0.429 188 G N 3.179 112.021 108.800 0.069 0.000 2.258 188 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.274 188 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.274 188 G C 0.136 175.074 174.900 0.063 0.000 1.021 188 G CA 0.642 45.777 45.100 0.058 0.000 0.798 188 G HN 0.595 nan 8.290 nan 0.000 0.507 189 E N -0.822 119.439 120.200 0.101 0.000 2.469 189 E HA 0.441 4.791 4.350 -0.000 0.000 0.246 189 E C 0.766 177.432 176.600 0.110 0.000 0.969 189 E CA -1.061 55.402 56.400 0.105 0.000 0.881 189 E CB 0.783 30.573 29.700 0.150 0.000 1.320 189 E HN 0.367 nan 8.360 nan 0.000 0.421 190 R N 0.245 120.805 120.500 0.100 0.000 2.489 190 R HA 0.095 4.435 4.340 -0.000 0.000 0.287 190 R C 1.190 177.532 176.300 0.069 0.000 1.053 190 R CA 0.181 56.325 56.100 0.072 0.000 1.036 190 R CB 0.171 30.508 30.300 0.061 0.000 0.966 190 R HN 0.431 nan 8.270 nan 0.000 0.432 191 T N 2.030 116.600 114.554 0.026 0.000 2.833 191 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 191 T C 1.702 176.360 174.700 -0.070 0.000 1.054 191 T CA 1.070 63.147 62.100 -0.039 0.000 1.135 191 T CB -0.130 68.709 68.868 -0.049 0.000 0.869 191 T HN 0.524 nan 8.240 nan 0.000 0.466 192 R N 1.045 121.530 120.500 -0.026 0.000 2.200 192 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 192 R C 1.935 178.227 176.300 -0.014 0.000 1.127 192 R CA 1.388 57.475 56.100 -0.021 0.000 0.989 192 R CB -0.046 30.256 30.300 0.004 0.000 0.869 192 R HN 0.527 nan 8.270 nan 0.000 0.459 193 E N -1.596 118.612 120.200 0.013 0.000 2.170 193 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 193 E C 1.766 178.372 176.600 0.009 0.000 0.981 193 E CA 0.709 57.134 56.400 0.041 0.000 0.830 193 E CB 0.111 29.879 29.700 0.114 0.000 0.775 193 E HN 0.508 nan 8.360 nan 0.000 0.470 194 G N 1.409 110.164 108.800 -0.075 0.000 2.408 194 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.215 194 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.215 194 G C 1.356 176.081 174.900 -0.292 0.000 1.156 194 G CA 0.465 45.360 45.100 -0.342 0.000 0.793 194 G HN 0.194 nan 8.290 nan 0.000 0.535 195 N N 0.690 119.255 118.700 -0.226 0.000 2.104 195 N HA -0.148 4.592 4.740 -0.000 0.000 0.190 195 N C 1.461 176.961 175.510 -0.017 0.000 1.024 195 N CA 1.477 54.460 53.050 -0.111 0.000 0.853 195 N CB -0.140 38.288 38.487 -0.098 0.000 1.008 195 N HN 0.073 nan 8.380 nan 0.000 0.424 196 D N 0.751 121.133 120.400 -0.030 0.000 2.144 196 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 196 D C 1.967 178.247 176.300 -0.033 0.000 0.978 196 D CA 0.336 54.324 54.000 -0.020 0.000 0.833 196 D CB -0.206 40.586 40.800 -0.014 0.000 0.961 196 D HN 0.243 nan 8.370 nan 0.000 0.470 197 L N -0.276 120.917 121.223 -0.051 0.000 2.093 197 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 197 L C 2.161 179.009 176.870 -0.036 0.000 1.085 197 L CA 1.302 56.081 54.840 -0.101 0.000 0.755 197 L CB -0.488 41.445 42.059 -0.211 0.000 0.904 197 L HN 0.015 nan 8.230 nan 0.000 0.435 198 Y N 0.128 120.364 120.300 -0.105 0.000 2.224 198 Y HA -0.249 4.301 4.550 -0.000 0.000 0.289 198 Y C 2.825 178.686 175.900 -0.066 0.000 1.146 198 Y CA 1.957 60.013 58.100 -0.074 0.000 1.182 198 Y CB -0.143 38.269 38.460 -0.080 0.000 0.983 198 Y HN 0.149 nan 8.280 nan 0.000 0.524 199 R N -0.018 120.473 120.500 -0.015 0.000 2.115 199 R HA -0.167 4.173 4.340 -0.000 0.000 0.226 199 R C 2.111 178.342 176.300 -0.114 0.000 1.100 199 R CA 1.525 57.579 56.100 -0.077 0.000 0.980 199 R CB -0.125 30.163 30.300 -0.021 0.000 0.875 199 R HN 0.363 nan 8.270 nan 0.000 0.445 200 E N 0.380 120.517 120.200 -0.105 0.000 2.028 200 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 200 E C 1.771 178.289 176.600 -0.137 0.000 0.984 200 E CA 1.397 57.730 56.400 -0.112 0.000 0.800 200 E CB -0.033 29.601 29.700 -0.109 0.000 0.758 200 E HN 0.162 nan 8.360 nan 0.000 0.448 201 M N 0.452 119.954 119.600 -0.162 0.000 2.346 201 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 201 M C 1.681 177.870 176.300 -0.185 0.000 1.064 201 M CA 1.491 56.692 55.300 -0.165 0.000 1.083 201 M CB -0.570 31.936 32.600 -0.157 0.000 1.399 201 M HN 0.104 nan 8.290 nan 0.000 0.435 202 K N -0.154 120.107 120.400 -0.231 0.000 2.202 202 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 202 K C 1.635 178.157 176.600 -0.131 0.000 1.051 202 K CA 0.638 56.798 56.287 -0.211 0.000 0.977 202 K CB 0.136 32.469 32.500 -0.280 0.000 0.792 202 K HN 0.329 nan 8.250 nan 0.000 0.469 203 E N 0.195 120.326 120.200 -0.116 0.000 2.478 203 E HA -0.054 4.296 4.350 -0.000 0.000 0.194 203 E C 1.164 177.720 176.600 -0.073 0.000 1.045 203 E CA 1.048 57.398 56.400 -0.083 0.000 0.868 203 E CB 0.391 30.046 29.700 -0.075 0.000 0.885 203 E HN 0.323 nan 8.360 nan 0.000 0.505 204 T N -3.711 110.794 114.554 -0.081 0.000 3.040 204 T HA 0.235 4.585 4.350 -0.000 0.000 0.250 204 T C 1.553 176.218 174.700 -0.058 0.000 1.058 204 T CA 0.195 62.255 62.100 -0.067 0.000 0.988 204 T CB 0.622 69.446 68.868 -0.074 0.000 0.993 204 T HN 0.153 nan 8.240 nan 0.000 0.519 205 G N 0.949 109.710 108.800 -0.065 0.000 2.198 205 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 205 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 205 G C 0.719 175.596 174.900 -0.038 0.000 1.025 205 G CA 0.299 45.368 45.100 -0.051 0.000 0.769 205 G HN 0.563 nan 8.290 nan 0.000 0.507 206 V N -0.352 119.533 119.914 -0.048 0.000 2.446 206 V HA 0.249 4.369 4.120 -0.000 0.000 0.244 206 V C 1.748 177.833 176.094 -0.015 0.000 1.039 206 V CA 1.262 63.547 62.300 -0.025 0.000 1.045 206 V CB -0.014 31.788 31.823 -0.035 0.000 0.681 206 V HN 0.478 nan 8.190 nan 0.000 0.459 207 I N 1.390 121.930 120.570 -0.051 0.000 2.342 207 I HA 0.241 4.411 4.170 -0.000 0.000 0.291 207 I C -0.265 175.818 176.117 -0.056 0.000 1.010 207 I CA 0.117 61.389 61.300 -0.047 0.000 1.308 207 I CB 0.953 38.893 38.000 -0.100 0.000 1.400 207 I HN 0.184 nan 8.210 nan 0.000 0.488 208 N N 5.750 124.441 118.700 -0.016 0.000 2.524 208 N HA 0.336 5.076 4.740 -0.000 0.000 0.261 208 N C 0.754 176.266 175.510 0.003 0.000 0.998 208 N CA -0.463 52.580 53.050 -0.012 0.000 0.915 208 N CB 1.288 39.778 38.487 0.006 0.000 1.187 208 N HN 0.509 nan 8.380 nan 0.000 0.507 209 L N 0.878 122.097 121.223 -0.007 0.000 2.261 209 L HA -0.119 4.221 4.340 -0.000 0.000 0.216 209 L C 1.184 178.067 176.870 0.020 0.000 1.114 209 L CA 1.203 56.053 54.840 0.017 0.000 0.777 209 L CB -0.054 42.013 42.059 0.013 0.000 0.910 209 L HN 0.566 nan 8.230 nan 0.000 0.440 210 E N -0.417 119.791 120.200 0.013 0.000 2.121 210 E HA 0.143 4.493 4.350 -0.000 0.000 0.194 210 E C 1.229 177.841 176.600 0.020 0.000 0.940 210 E CA 0.696 57.105 56.400 0.015 0.000 0.884 210 E CB -0.144 29.562 29.700 0.009 0.000 0.874 210 E HN 0.282 nan 8.360 nan 0.000 0.471 211 G N 0.286 109.097 108.800 0.019 0.000 2.641 211 G HA2 0.210 4.170 3.960 -0.000 0.000 0.239 211 G HA3 0.210 4.170 3.960 -0.000 0.000 0.239 211 G C -0.492 174.430 174.900 0.038 0.000 1.402 211 G CA -0.548 44.568 45.100 0.026 0.000 1.046 211 G HN -0.044 nan 8.290 nan 0.000 0.565 212 E N -0.005 120.224 120.200 0.048 0.000 2.415 212 E HA 0.334 4.684 4.350 -0.000 0.000 0.262 212 E C -0.495 176.150 176.600 0.076 0.000 1.038 212 E CA 0.381 56.824 56.400 0.073 0.000 0.921 212 E CB 1.077 30.828 29.700 0.084 0.000 0.950 212 E HN 0.152 nan 8.360 nan 0.000 0.438 213 S N 1.255 117.017 115.700 0.104 0.000 2.549 213 S HA 0.308 4.778 4.470 -0.000 0.000 0.280 213 S C 0.353 175.060 174.600 0.178 0.000 1.109 213 S CA -0.853 57.409 58.200 0.103 0.000 0.905 213 S CB 1.803 65.047 63.200 0.073 0.000 1.081 213 S HN 0.353 nan 8.310 nan 0.000 0.477 214 K N 0.603 121.107 120.400 0.174 0.000 2.358 214 K HA 0.345 4.664 4.320 -0.000 0.000 0.200 214 K C -0.475 176.240 176.600 0.192 0.000 1.030 214 K CA 0.177 56.633 56.287 0.281 0.000 1.097 214 K CB 1.090 33.693 32.500 0.171 0.000 0.862 214 K HN 0.294 nan 8.250 nan 0.000 0.534 215 V N 0.717 120.698 119.914 0.112 0.000 2.760 215 V HA 0.683 4.803 4.120 -0.000 0.000 0.309 215 V C -1.757 174.390 176.094 0.088 0.000 1.077 215 V CA -0.736 61.617 62.300 0.088 0.000 0.910 215 V CB 1.830 33.703 31.823 0.083 0.000 1.008 215 V HN 0.147 nan 8.190 nan 0.000 0.424 216 A N 6.735 129.610 122.820 0.092 0.000 2.355 216 A HA 0.905 5.225 4.320 -0.000 0.000 0.317 216 A C -1.296 176.373 177.584 0.141 0.000 1.094 216 A CA -0.651 51.455 52.037 0.115 0.000 0.764 216 A CB 1.338 20.402 19.000 0.107 0.000 1.230 216 A HN 0.842 nan 8.150 nan 0.000 0.448 217 L N 2.408 123.735 121.223 0.173 0.000 2.313 217 L HA 0.629 4.969 4.340 -0.000 0.000 0.283 217 L C -0.893 176.058 176.870 0.135 0.000 1.013 217 L CA -0.871 54.093 54.840 0.206 0.000 0.816 217 L CB 1.738 44.056 42.059 0.431 0.000 1.236 217 L HN 0.409 nan 8.230 nan 0.000 0.419 218 V N 3.539 123.398 119.914 -0.091 0.000 2.531 218 V HA 0.501 4.621 4.120 -0.000 0.000 0.301 218 V C -0.918 174.967 176.094 -0.349 0.000 1.034 218 V CA -0.418 61.824 62.300 -0.097 0.000 0.865 218 V CB 1.901 33.674 31.823 -0.084 0.000 0.995 218 V HN 0.405 nan 8.190 nan 0.000 0.424 219 F N 2.270 122.257 119.950 0.061 0.000 2.536 219 F HA 0.717 5.244 4.527 -0.000 0.000 0.322 219 F C 0.572 176.393 175.800 0.035 0.000 1.144 219 F CA -0.532 57.505 58.000 0.062 0.000 0.924 219 F CB 2.433 41.470 39.000 0.062 0.000 1.181 219 F HN 0.538 nan 8.300 nan 0.000 0.438 220 G N 4.065 112.976 108.800 0.185 0.000 3.378 220 G HA2 0.422 4.382 3.960 -0.000 0.000 0.332 220 G HA3 0.422 4.382 3.960 -0.000 0.000 0.332 220 G C -0.762 174.219 174.900 0.135 0.000 1.490 220 G CA -0.447 44.729 45.100 0.127 0.000 1.068 220 G HN 0.293 nan 8.290 nan 0.000 0.492 221 Q N 1.243 121.133 119.800 0.151 0.000 2.316 221 Q HA 0.223 4.563 4.340 -0.000 0.000 0.215 221 Q C 1.975 178.021 176.000 0.077 0.000 1.020 221 Q CA -0.699 55.185 55.803 0.135 0.000 0.970 221 Q CB 1.044 29.858 28.738 0.127 0.000 1.187 221 Q HN 0.749 nan 8.270 nan 0.000 0.546 222 M N -0.347 119.292 119.600 0.064 0.000 2.700 222 M HA -0.083 4.396 4.480 -0.000 0.000 0.249 222 M C 0.521 176.836 176.300 0.026 0.000 1.082 222 M CA 1.390 56.713 55.300 0.038 0.000 1.077 222 M CB -0.434 32.183 32.600 0.029 0.000 1.477 222 M HN 0.352 nan 8.290 nan 0.000 0.529 223 N N -0.040 118.677 118.700 0.028 0.000 2.325 223 N HA 0.054 4.794 4.740 -0.000 0.000 0.182 223 N C -0.196 175.325 175.510 0.018 0.000 1.088 223 N CA 0.200 53.261 53.050 0.018 0.000 0.879 223 N CB -0.216 38.279 38.487 0.013 0.000 0.983 223 N HN 0.353 nan 8.380 nan 0.000 0.471 224 E N 1.735 121.950 120.200 0.026 0.000 2.373 224 E HA 0.231 4.581 4.350 -0.000 0.000 0.267 224 E C -2.124 174.486 176.600 0.016 0.000 1.032 224 E CA -1.717 54.697 56.400 0.024 0.000 0.889 224 E CB 0.111 29.832 29.700 0.035 0.000 0.984 224 E HN 0.208 nan 8.360 nan 0.000 0.425 225 P HA -0.029 nan 4.420 nan 0.000 0.269 225 P C -1.705 175.596 177.300 0.002 0.000 1.217 225 P CA -0.769 62.334 63.100 0.006 0.000 0.783 225 P CB -0.005 31.699 31.700 0.007 0.000 0.898 226 P HA -0.218 nan 4.420 nan 0.000 0.216 226 P C 1.479 178.767 177.300 -0.020 0.000 1.150 226 P CA 2.135 65.222 63.100 -0.021 0.000 0.843 226 P CB -0.582 31.102 31.700 -0.027 0.000 0.787 227 G N 0.505 109.301 108.800 -0.005 0.000 2.418 227 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 227 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 227 G C 1.820 176.731 174.900 0.018 0.000 1.158 227 G CA 1.110 46.214 45.100 0.006 0.000 0.771 227 G HN 0.379 nan 8.290 nan 0.000 0.545 228 A N 0.346 123.177 122.820 0.019 0.000 2.019 228 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 228 A C 2.430 180.033 177.584 0.032 0.000 1.164 228 A CA 1.482 53.535 52.037 0.027 0.000 0.644 228 A CB -0.283 18.734 19.000 0.028 0.000 0.805 228 A HN 0.364 nan 8.150 nan 0.000 0.449 229 R N -0.917 119.596 120.500 0.021 0.000 2.100 229 R HA 0.099 4.439 4.340 -0.000 0.000 0.220 229 R C 2.091 178.416 176.300 0.043 0.000 1.091 229 R CA 0.889 57.004 56.100 0.024 0.000 0.986 229 R CB -0.237 30.064 30.300 0.001 0.000 0.888 229 R HN 0.444 nan 8.270 nan 0.000 0.444 230 A N 0.469 123.296 122.820 0.012 0.000 2.235 230 A HA 0.029 4.349 4.320 -0.000 0.000 0.208 230 A C 1.459 179.164 177.584 0.202 0.000 1.172 230 A CA 0.627 52.669 52.037 0.009 0.000 0.786 230 A CB 0.140 19.048 19.000 -0.154 0.000 0.804 230 A HN 0.072 nan 8.150 nan 0.000 0.479 231 R N -2.278 118.307 120.500 0.142 0.000 2.556 231 R HA 0.130 4.470 4.340 -0.000 0.000 0.276 231 R C 1.399 177.721 176.300 0.037 0.000 0.931 231 R CA 0.659 56.826 56.100 0.111 0.000 1.061 231 R CB -0.419 29.928 30.300 0.078 0.000 1.432 231 R HN 0.311 nan 8.270 nan 0.000 0.547 232 V N 1.369 121.304 119.914 0.036 0.000 2.667 232 V HA -0.067 4.053 4.120 -0.000 0.000 0.252 232 V C 2.119 178.185 176.094 -0.047 0.000 1.065 232 V CA 1.957 64.253 62.300 -0.005 0.000 1.083 232 V CB -0.123 31.705 31.823 0.009 0.000 0.692 232 V HN 0.278 nan 8.190 nan 0.000 0.468 233 A N -0.010 122.781 122.820 -0.047 0.000 1.902 233 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 233 A C 2.063 179.562 177.584 -0.143 0.000 1.181 233 A CA 2.034 53.996 52.037 -0.126 0.000 0.623 233 A CB -0.566 18.322 19.000 -0.187 0.000 0.818 233 A HN 0.563 nan 8.150 nan 0.000 0.443 234 L N -0.696 120.452 121.223 -0.124 0.000 2.131 234 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 234 L C 2.707 179.504 176.870 -0.122 0.000 1.092 234 L CA 1.640 56.399 54.840 -0.135 0.000 0.759 234 L CB -0.919 41.052 42.059 -0.147 0.000 0.903 234 L HN 0.310 nan 8.230 nan 0.000 0.435 235 T N -0.280 114.213 114.554 -0.102 0.000 2.701 235 T HA -0.119 4.231 4.350 -0.000 0.000 0.263 235 T C 1.899 176.562 174.700 -0.062 0.000 1.040 235 T CA 1.503 63.555 62.100 -0.081 0.000 1.147 235 T CB -0.611 68.222 68.868 -0.058 0.000 0.865 235 T HN 0.546 nan 8.240 nan 0.000 0.426 236 G N 1.413 110.171 108.800 -0.070 0.000 2.432 236 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 236 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 236 G C 1.552 176.428 174.900 -0.039 0.000 1.135 236 G CA 0.883 45.949 45.100 -0.057 0.000 0.767 236 G HN 0.455 nan 8.290 nan 0.000 0.550 237 L N 0.910 122.092 121.223 -0.069 0.000 2.109 237 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 237 L C 2.644 179.504 176.870 -0.017 0.000 1.086 237 L CA 2.533 57.338 54.840 -0.058 0.000 0.760 237 L CB -1.063 40.933 42.059 -0.104 0.000 0.910 237 L HN 0.113 nan 8.230 nan 0.000 0.437 238 T N 0.347 114.884 114.554 -0.029 0.000 2.746 238 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 238 T C 2.000 176.720 174.700 0.032 0.000 1.039 238 T CA 2.158 64.251 62.100 -0.013 0.000 1.142 238 T CB -0.436 68.401 68.868 -0.051 0.000 0.866 238 T HN 0.370 nan 8.240 nan 0.000 0.444 239 I N 1.490 122.087 120.570 0.046 0.000 2.163 239 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 239 I C 2.971 179.268 176.117 0.299 0.000 1.085 239 I CA 1.282 62.656 61.300 0.125 0.000 1.347 239 I CB -0.535 37.558 38.000 0.156 0.000 1.044 239 I HN 0.212 nan 8.210 nan 0.000 0.408 240 A N 0.317 123.284 122.820 0.243 0.000 1.902 240 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 240 A C 2.219 179.937 177.584 0.223 0.000 1.181 240 A CA 1.698 53.892 52.037 0.263 0.000 0.623 240 A CB -0.614 18.447 19.000 0.103 0.000 0.818 240 A HN 0.452 nan 8.150 nan 0.000 0.443 241 E N -1.729 118.549 120.200 0.131 0.000 2.118 241 E HA -0.232 4.117 4.350 -0.000 0.000 0.195 241 E C 1.844 178.502 176.600 0.097 0.000 0.992 241 E CA 1.505 57.958 56.400 0.089 0.000 0.804 241 E CB -0.300 29.431 29.700 0.053 0.000 0.741 241 E HN 0.799 nan 8.360 nan 0.000 0.458 242 Y N 0.414 120.693 120.300 -0.036 0.000 2.114 242 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 242 Y C 1.876 177.693 175.900 -0.140 0.000 1.143 242 Y CA 1.572 59.584 58.100 -0.146 0.000 1.135 242 Y CB -0.375 37.908 38.460 -0.295 0.000 0.980 242 Y HN -0.061 nan 8.280 nan 0.000 0.499 243 F N 0.202 120.193 119.950 0.067 0.000 2.202 243 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 243 F C 2.716 178.514 175.800 -0.004 0.000 1.082 243 F CA 1.893 59.913 58.000 0.035 0.000 1.313 243 F CB -0.625 38.467 39.000 0.154 0.000 1.024 243 F HN -0.006 nan 8.300 nan 0.000 0.495 244 R N 0.371 120.971 120.500 0.166 0.000 2.062 244 R HA -0.128 4.212 4.340 -0.000 0.000 0.231 244 R C 1.141 177.442 176.300 0.002 0.000 1.136 244 R CA 2.024 58.172 56.100 0.081 0.000 0.948 244 R CB -0.252 30.087 30.300 0.066 0.000 0.845 244 R HN 0.108 nan 8.270 nan 0.000 0.430 245 D N -0.555 119.813 120.400 -0.053 0.000 2.379 245 D HA 0.014 4.654 4.640 -0.000 0.000 0.208 245 D C 1.026 177.236 176.300 -0.151 0.000 1.065 245 D CA 0.406 54.359 54.000 -0.079 0.000 0.848 245 D CB 0.657 41.426 40.800 -0.052 0.000 0.949 245 D HN 0.211 nan 8.370 nan 0.000 0.509 246 E N -0.060 119.969 120.200 -0.285 0.000 2.391 246 E HA 0.116 4.466 4.350 -0.000 0.000 0.206 246 E C 1.090 177.522 176.600 -0.280 0.000 0.851 246 E CA 0.330 56.497 56.400 -0.389 0.000 1.059 246 E CB 0.552 29.744 29.700 -0.846 0.000 1.065 246 E HN 0.256 nan 8.360 nan 0.000 0.512 247 E N 0.002 120.075 120.200 -0.213 0.000 2.473 247 E HA 0.192 4.542 4.350 -0.000 0.000 0.204 247 E C 0.278 176.900 176.600 0.037 0.000 0.994 247 E CA 0.287 56.668 56.400 -0.032 0.000 0.945 247 E CB 0.881 30.640 29.700 0.099 0.000 0.990 247 E HN 0.206 nan 8.360 nan 0.000 0.493 248 G N 2.638 111.447 108.800 0.016 0.000 2.359 248 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.298 248 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.298 248 G C -0.025 174.905 174.900 0.050 0.000 1.030 248 G CA 0.321 45.435 45.100 0.023 0.000 1.149 248 G HN 0.022 nan 8.290 nan 0.000 0.512 249 Q N -0.608 119.252 119.800 0.100 0.000 2.252 249 Q HA 0.415 4.755 4.340 -0.000 0.000 0.256 249 Q C -0.326 175.707 176.000 0.054 0.000 1.020 249 Q CA -0.700 55.155 55.803 0.087 0.000 0.913 249 Q CB 1.016 29.872 28.738 0.197 0.000 1.286 249 Q HN 0.395 nan 8.270 nan 0.000 0.480 250 D N 0.378 120.782 120.400 0.007 0.000 2.393 250 D HA 0.255 4.895 4.640 -0.000 0.000 0.232 250 D C -0.776 175.633 176.300 0.183 0.000 1.192 250 D CA 0.050 54.085 54.000 0.058 0.000 0.882 250 D CB 0.649 41.411 40.800 -0.063 0.000 1.038 250 D HN 0.007 nan 8.370 nan 0.000 0.499 251 V N 3.561 123.549 119.914 0.124 0.000 2.539 251 V HA 0.395 4.515 4.120 -0.000 0.000 0.292 251 V C 0.258 176.343 176.094 -0.015 0.000 1.045 251 V CA -0.827 61.519 62.300 0.077 0.000 0.945 251 V CB 1.402 33.271 31.823 0.077 0.000 0.993 251 V HN 0.363 nan 8.190 nan 0.000 0.464 252 L N 4.921 126.090 121.223 -0.089 0.000 2.333 252 L HA 0.576 4.916 4.340 -0.000 0.000 0.280 252 L C -0.958 175.790 176.870 -0.205 0.000 1.004 252 L CA -0.610 54.088 54.840 -0.236 0.000 0.820 252 L CB 1.766 43.657 42.059 -0.280 0.000 1.247 252 L HN 0.435 nan 8.230 nan 0.000 0.416 253 L N 3.987 125.003 121.223 -0.346 0.000 2.342 253 L HA 0.535 4.875 4.340 -0.000 0.000 0.276 253 L C -1.203 175.409 176.870 -0.430 0.000 0.997 253 L CA 0.047 54.730 54.840 -0.262 0.000 0.838 253 L CB 0.955 42.901 42.059 -0.187 0.000 1.224 253 L HN 0.206 nan 8.230 nan 0.000 0.416 254 F N 6.144 126.000 119.950 -0.156 0.000 2.385 254 F HA 0.538 5.065 4.527 -0.000 0.000 0.360 254 F C 0.167 175.647 175.800 -0.534 0.000 1.122 254 F CA -0.394 57.469 58.000 -0.228 0.000 1.090 254 F CB 0.949 39.950 39.000 0.000 0.000 1.150 254 F HN 0.233 nan 8.300 nan 0.000 0.472 255 I N 2.995 123.395 120.570 -0.284 0.000 2.382 255 I HA 0.332 4.502 4.170 -0.000 0.000 0.286 255 I C -1.117 174.839 176.117 -0.268 0.000 1.002 255 I CA -0.536 60.548 61.300 -0.360 0.000 1.135 255 I CB 1.740 39.583 38.000 -0.261 0.000 1.288 255 I HN 0.398 nan 8.210 nan 0.000 0.448 256 D N 5.976 126.188 120.400 -0.314 0.000 2.402 256 D HA 0.248 4.888 4.640 -0.000 0.000 0.252 256 D C -1.291 175.000 176.300 -0.016 0.000 1.294 256 D CA -0.244 53.707 54.000 -0.082 0.000 0.948 256 D CB 1.034 41.877 40.800 0.072 0.000 1.202 256 D HN 0.419 nan 8.370 nan 0.000 0.561 257 N N 3.896 122.608 118.700 0.021 0.000 2.258 257 N HA 0.267 5.006 4.740 -0.000 0.000 0.299 257 N C 0.249 175.786 175.510 0.045 0.000 1.047 257 N CA -0.490 52.587 53.050 0.045 0.000 0.814 257 N CB 1.851 40.411 38.487 0.122 0.000 1.413 257 N HN 0.454 nan 8.380 nan 0.000 0.478 258 I N 3.010 123.583 120.570 0.006 0.000 3.444 258 I HA -0.052 4.118 4.170 -0.000 0.000 0.287 258 I C 1.360 177.535 176.117 0.096 0.000 1.302 258 I CA 0.211 61.508 61.300 -0.006 0.000 1.368 258 I CB -0.100 37.830 38.000 -0.116 0.000 1.048 258 I HN 0.523 nan 8.210 nan 0.000 0.487 259 F N 1.459 121.422 119.950 0.021 0.000 2.206 259 F HA -0.124 4.403 4.527 -0.000 0.000 0.298 259 F C 2.243 178.107 175.800 0.106 0.000 1.090 259 F CA 1.160 59.208 58.000 0.080 0.000 1.323 259 F CB -0.210 38.880 39.000 0.151 0.000 1.028 259 F HN -0.079 nan 8.300 nan 0.000 0.492 260 R N 0.172 120.651 120.500 -0.035 0.000 2.241 260 R HA -0.167 4.173 4.340 -0.000 0.000 0.224 260 R C 2.040 178.260 176.300 -0.134 0.000 1.101 260 R CA 1.099 57.111 56.100 -0.147 0.000 0.995 260 R CB -1.697 28.616 30.300 0.023 0.000 0.870 260 R HN 0.507 nan 8.270 nan 0.000 0.463 261 F N 1.367 121.201 119.950 -0.193 0.000 2.128 261 F HA -0.115 4.412 4.527 -0.000 0.000 0.295 261 F C 1.922 177.615 175.800 -0.178 0.000 1.100 261 F CA 1.468 59.376 58.000 -0.152 0.000 1.260 261 F CB -0.348 38.577 39.000 -0.125 0.000 1.009 261 F HN -0.156 nan 8.300 nan 0.000 0.476 262 T N 0.221 114.540 114.554 -0.392 0.000 2.904 262 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 262 T C 1.870 176.324 174.700 -0.411 0.000 1.059 262 T CA 1.381 63.194 62.100 -0.478 0.000 1.137 262 T CB -0.277 68.445 68.868 -0.244 0.000 0.879 262 T HN 0.437 nan 8.240 nan 0.000 0.467 263 Q N 0.724 120.196 119.800 -0.547 0.000 2.050 263 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 263 Q C 2.461 178.332 176.000 -0.216 0.000 0.980 263 Q CA 1.455 57.018 55.803 -0.399 0.000 0.840 263 Q CB -0.282 28.079 28.738 -0.630 0.000 0.898 263 Q HN 0.516 nan 8.270 nan 0.000 0.424 264 A N 0.159 122.836 122.820 -0.239 0.000 2.070 264 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 264 A C 2.079 179.554 177.584 -0.183 0.000 1.159 264 A CA 1.406 53.343 52.037 -0.166 0.000 0.656 264 A CB -0.872 18.044 19.000 -0.141 0.000 0.800 264 A HN 0.600 nan 8.150 nan 0.000 0.453 265 G N -0.301 108.336 108.800 -0.272 0.000 2.484 265 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 265 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 265 G C 1.798 176.634 174.900 -0.106 0.000 1.130 265 G CA 1.371 46.328 45.100 -0.239 0.000 0.784 265 G HN 0.784 nan 8.290 nan 0.000 0.543 266 S N 0.516 116.183 115.700 -0.054 0.000 2.439 266 S HA 0.035 4.505 4.470 -0.000 0.000 0.224 266 S C 1.764 176.350 174.600 -0.024 0.000 1.029 266 S CA 0.813 59.017 58.200 0.008 0.000 0.946 266 S CB -0.165 63.074 63.200 0.065 0.000 0.797 266 S HN 0.500 nan 8.310 nan 0.000 0.504 267 E N 1.257 121.433 120.200 -0.039 0.000 2.401 267 E HA -0.053 4.297 4.350 -0.000 0.000 0.199 267 E C 1.787 178.371 176.600 -0.028 0.000 1.023 267 E CA 1.262 57.643 56.400 -0.032 0.000 0.859 267 E CB -0.213 29.467 29.700 -0.033 0.000 0.780 267 E HN 0.739 nan 8.360 nan 0.000 0.523 268 V N -3.977 115.917 119.914 -0.034 0.000 3.539 268 V HA 0.128 4.248 4.120 -0.000 0.000 0.262 268 V C 2.057 178.139 176.094 -0.020 0.000 1.381 268 V CA 0.479 62.763 62.300 -0.026 0.000 1.060 268 V CB 0.634 32.437 31.823 -0.033 0.000 0.842 268 V HN 0.072 nan 8.190 nan 0.000 0.445 269 S N 1.621 117.309 115.700 -0.020 0.000 2.374 269 S HA -0.207 4.263 4.470 -0.000 0.000 0.227 269 S C 2.150 176.749 174.600 -0.002 0.000 1.037 269 S CA 2.440 60.635 58.200 -0.008 0.000 1.024 269 S CB -0.462 62.740 63.200 0.004 0.000 0.861 269 S HN 1.059 nan 8.310 nan 0.000 0.456 270 A N 1.369 124.187 122.820 -0.003 0.000 1.877 270 A HA 0.056 4.376 4.320 -0.000 0.000 0.216 270 A C 2.112 179.696 177.584 -0.001 0.000 1.186 270 A CA 1.517 53.553 52.037 -0.002 0.000 0.620 270 A CB -0.828 18.169 19.000 -0.005 0.000 0.822 270 A HN 0.592 nan 8.150 nan 0.000 0.443 271 L N -0.982 120.240 121.223 -0.003 0.000 2.551 271 L HA 0.009 4.349 4.340 -0.000 0.000 0.228 271 L C 1.859 178.731 176.870 0.003 0.000 1.153 271 L CA 0.249 55.089 54.840 -0.000 0.000 0.851 271 L CB -0.280 41.778 42.059 -0.002 0.000 0.959 271 L HN 0.309 nan 8.230 nan 0.000 0.451 272 L N -0.450 120.775 121.223 0.003 0.000 2.585 272 L HA 0.234 4.574 4.340 -0.000 0.000 0.226 272 L C 1.156 178.031 176.870 0.009 0.000 1.113 272 L CA 0.303 55.147 54.840 0.007 0.000 0.876 272 L CB 0.169 42.230 42.059 0.003 0.000 1.072 272 L HN 0.335 nan 8.230 nan 0.000 0.468 273 G N 1.184 109.988 108.800 0.007 0.000 2.341 273 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.278 273 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.278 273 G C -0.126 174.780 174.900 0.010 0.000 1.111 273 G CA -0.191 44.914 45.100 0.009 0.000 0.982 273 G HN 0.350 nan 8.290 nan 0.000 0.502 274 R N -0.877 119.629 120.500 0.010 0.000 2.664 274 R HA 0.680 5.020 4.340 -0.000 0.000 0.286 274 R C 0.748 177.057 176.300 0.014 0.000 0.967 274 R CA -1.160 54.947 56.100 0.012 0.000 0.933 274 R CB 1.517 31.824 30.300 0.013 0.000 1.146 274 R HN 0.249 nan 8.270 nan 0.000 0.468 275 I N 4.304 124.883 120.570 0.015 0.000 2.668 275 I HA 0.040 4.210 4.170 -0.000 0.000 0.285 275 I C -1.596 174.535 176.117 0.023 0.000 1.168 275 I CA -1.355 59.956 61.300 0.017 0.000 1.424 275 I CB 0.150 38.160 38.000 0.017 0.000 1.377 275 I HN 0.292 nan 8.210 nan 0.000 0.560 276 P HA 0.051 nan 4.420 nan 0.000 0.268 276 P C -0.226 177.101 177.300 0.044 0.000 1.205 276 P CA -0.119 63.001 63.100 0.033 0.000 0.771 276 P CB 1.189 32.901 31.700 0.020 0.000 0.858 277 S N 1.228 116.969 115.700 0.069 0.000 2.481 277 S HA 0.532 5.002 4.470 -0.000 0.000 0.267 277 S C 0.145 174.798 174.600 0.089 0.000 1.174 277 S CA -0.347 57.900 58.200 0.078 0.000 1.027 277 S CB -0.049 63.207 63.200 0.093 0.000 1.117 277 S HN 0.602 nan 8.310 nan 0.000 0.495 278 A N 0.341 123.224 122.820 0.105 0.000 2.520 278 A HA 0.413 4.733 4.320 -0.000 0.000 0.245 278 A C 0.699 178.368 177.584 0.141 0.000 1.072 278 A CA 0.247 52.347 52.037 0.107 0.000 0.761 278 A CB -0.805 18.259 19.000 0.106 0.000 1.004 278 A HN 1.543 nan 8.150 nan 0.000 0.499 279 V N 1.651 121.606 119.914 0.069 0.000 5.083 279 V HA -0.266 3.854 4.120 -0.000 0.000 0.286 279 V C 1.702 177.716 176.094 -0.134 0.000 0.428 279 V CA 1.347 63.648 62.300 0.002 0.000 0.750 279 V CB -2.505 29.352 31.823 0.056 0.000 0.642 279 V HN 2.892 nan 8.190 nan 0.000 1.362 280 G N -2.493 106.267 108.800 -0.068 0.000 2.189 280 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.267 280 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.267 280 G C -0.082 174.763 174.900 -0.091 0.000 0.975 280 G CA 0.619 45.660 45.100 -0.098 0.000 0.644 280 G HN 0.930 nan 8.290 nan 0.000 0.537 281 Y N 1.567 121.882 120.300 0.025 0.000 2.299 281 Y HA 0.432 4.982 4.550 -0.000 0.000 0.335 281 Y C 1.340 177.241 175.900 0.001 0.000 1.287 281 Y CA -0.416 57.693 58.100 0.014 0.000 1.424 281 Y CB 0.452 38.931 38.460 0.031 0.000 1.326 281 Y HN 0.418 nan 8.280 nan 0.000 0.567 282 Q N 2.546 122.471 119.800 0.209 0.000 2.373 282 Q HA 0.151 4.491 4.340 -0.000 0.000 0.255 282 Q C -2.395 173.646 176.000 0.069 0.000 0.980 282 Q CA -1.805 54.050 55.803 0.087 0.000 0.882 282 Q CB 0.725 29.483 28.738 0.033 0.000 1.249 282 Q HN 0.349 nan 8.270 nan 0.000 0.438 283 P HA -0.058 nan 4.420 nan 0.000 0.225 283 P C 0.994 178.310 177.300 0.027 0.000 1.156 283 P CA 1.336 64.459 63.100 0.039 0.000 0.787 283 P CB -0.055 31.663 31.700 0.030 0.000 0.802 284 T N -3.572 110.993 114.554 0.018 0.000 3.194 284 T HA 0.079 4.429 4.350 -0.000 0.000 0.251 284 T C 1.588 176.295 174.700 0.012 0.000 1.132 284 T CA -0.166 61.942 62.100 0.014 0.000 1.028 284 T CB -1.136 67.736 68.868 0.007 0.000 0.976 284 T HN -0.041 nan 8.240 nan 0.000 0.535 285 L N 1.306 122.529 121.223 -0.000 0.000 2.010 285 L HA -0.164 4.176 4.340 -0.000 0.000 0.219 285 L C 2.863 179.743 176.870 0.016 0.000 1.077 285 L CA 2.221 57.044 54.840 -0.028 0.000 0.773 285 L CB -0.845 41.166 42.059 -0.080 0.000 0.892 285 L HN 0.378 nan 8.230 nan 0.000 0.436 286 A N -0.990 121.850 122.820 0.034 0.000 1.902 286 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 286 A C 2.343 179.985 177.584 0.096 0.000 1.181 286 A CA 2.493 54.572 52.037 0.069 0.000 0.623 286 A CB -1.281 17.753 19.000 0.057 0.000 0.818 286 A HN 0.675 nan 8.150 nan 0.000 0.443 287 T N -2.302 112.296 114.554 0.073 0.000 2.896 287 T HA -0.092 4.258 4.350 -0.000 0.000 0.263 287 T C 1.304 176.059 174.700 0.093 0.000 1.050 287 T CA 1.237 63.383 62.100 0.076 0.000 1.140 287 T CB -0.408 68.490 68.868 0.051 0.000 0.877 287 T HN 0.396 nan 8.240 nan 0.000 0.457 288 D N 1.172 121.636 120.400 0.107 0.000 2.117 288 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 288 D C 1.990 178.437 176.300 0.244 0.000 0.987 288 D CA 1.006 55.119 54.000 0.189 0.000 0.829 288 D CB -0.410 40.492 40.800 0.169 0.000 0.961 288 D HN 0.376 nan 8.370 nan 0.000 0.460 289 M N 0.820 120.537 119.600 0.195 0.000 2.117 289 M HA -0.095 4.385 4.480 -0.000 0.000 0.262 289 M C 2.072 178.305 176.300 -0.111 0.000 1.065 289 M CA 1.991 57.311 55.300 0.034 0.000 1.114 289 M CB -0.242 32.375 32.600 0.028 0.000 1.361 289 M HN 0.044 nan 8.290 nan 0.000 0.408 290 G N 0.490 109.333 108.800 0.071 0.000 2.480 290 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.216 290 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.216 290 G C 1.323 176.247 174.900 0.041 0.000 1.200 290 G CA 1.115 46.300 45.100 0.141 0.000 0.782 290 G HN 0.474 nan 8.290 nan 0.000 0.554 291 L N -0.282 120.962 121.223 0.035 0.000 2.129 291 L HA -0.080 4.260 4.340 -0.000 0.000 0.212 291 L C 2.667 179.513 176.870 -0.041 0.000 1.087 291 L CA 0.678 55.529 54.840 0.019 0.000 0.757 291 L CB -0.322 41.768 42.059 0.050 0.000 0.896 291 L HN 0.266 nan 8.230 nan 0.000 0.434 292 L N -1.526 119.615 121.223 -0.136 0.000 2.145 292 L HA -0.071 4.269 4.340 -0.000 0.000 0.201 292 L C 2.570 179.294 176.870 -0.245 0.000 1.075 292 L CA 1.342 56.019 54.840 -0.271 0.000 0.773 292 L CB -0.345 41.342 42.059 -0.619 0.000 0.936 292 L HN 0.115 nan 8.230 nan 0.000 0.451 293 Q N -0.050 119.585 119.800 -0.274 0.000 2.123 293 Q HA -0.130 4.210 4.340 -0.000 0.000 0.199 293 Q C 1.987 177.939 176.000 -0.081 0.000 0.966 293 Q CA 1.140 56.791 55.803 -0.255 0.000 0.845 293 Q CB -0.178 28.233 28.738 -0.546 0.000 0.907 293 Q HN 0.572 nan 8.270 nan 0.000 0.439 294 E N 0.581 120.775 120.200 -0.009 0.000 2.268 294 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 294 E C 1.897 178.501 176.600 0.006 0.000 0.995 294 E CA 0.452 56.877 56.400 0.042 0.000 0.836 294 E CB -0.036 29.706 29.700 0.070 0.000 0.763 294 E HN 0.305 nan 8.360 nan 0.000 0.491 295 R N 0.199 120.682 120.500 -0.027 0.000 2.090 295 R HA 0.072 4.412 4.340 -0.000 0.000 0.228 295 R C 0.940 177.217 176.300 -0.038 0.000 1.110 295 R CA 0.449 56.531 56.100 -0.030 0.000 0.973 295 R CB 0.016 30.288 30.300 -0.045 0.000 0.869 295 R HN 0.077 nan 8.270 nan 0.000 0.440 296 I N 1.589 122.121 120.570 -0.063 0.000 2.294 296 I HA 0.064 4.234 4.170 -0.000 0.000 0.295 296 I C 0.063 176.154 176.117 -0.044 0.000 1.098 296 I CA 0.249 61.508 61.300 -0.068 0.000 1.277 296 I CB 1.046 38.978 38.000 -0.112 0.000 1.434 296 I HN -0.008 nan 8.210 nan 0.000 0.498 297 T N 2.850 117.386 114.554 -0.030 0.000 2.770 297 T HA 0.218 4.568 4.350 -0.000 0.000 0.323 297 T C -0.629 174.062 174.700 -0.016 0.000 1.683 297 T CA -0.533 61.557 62.100 -0.017 0.000 1.024 297 T CB 1.429 70.296 68.868 -0.000 0.000 1.557 297 T HN 0.337 nan 8.240 nan 0.000 0.494 298 T N 3.442 117.987 114.554 -0.015 0.000 2.814 298 T HA 0.535 4.885 4.350 -0.000 0.000 0.297 298 T C 0.726 175.413 174.700 -0.021 0.000 0.956 298 T CA -0.069 62.022 62.100 -0.015 0.000 1.123 298 T CB 0.564 69.423 68.868 -0.014 0.000 0.902 298 T HN 0.850 nan 8.240 nan 0.000 0.528 299 T N 0.601 115.143 114.554 -0.020 0.000 2.876 299 T HA 0.441 4.791 4.350 -0.000 0.000 0.277 299 T C 1.112 175.792 174.700 -0.033 0.000 0.997 299 T CA -0.977 61.105 62.100 -0.029 0.000 0.966 299 T CB 1.158 70.012 68.868 -0.023 0.000 1.312 299 T HN 0.381 nan 8.240 nan 0.000 0.598 300 K N -0.056 120.321 120.400 -0.040 0.000 2.432 300 K HA 0.098 4.418 4.320 -0.000 0.000 0.196 300 K C 1.790 178.373 176.600 -0.029 0.000 1.038 300 K CA 0.426 56.690 56.287 -0.038 0.000 0.986 300 K CB 0.073 32.546 32.500 -0.046 0.000 0.782 300 K HN 0.456 nan 8.250 nan 0.000 0.485 301 K N 0.404 120.789 120.400 -0.025 0.000 2.426 301 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 301 K C 0.656 177.248 176.600 -0.014 0.000 1.028 301 K CA 0.198 56.472 56.287 -0.023 0.000 1.047 301 K CB 0.937 33.421 32.500 -0.027 0.000 0.821 301 K HN 0.179 nan 8.250 nan 0.000 0.513 302 G N 0.689 109.484 108.800 -0.009 0.000 2.328 302 G HA2 0.032 3.992 3.960 -0.000 0.000 0.299 302 G HA3 0.032 3.992 3.960 -0.000 0.000 0.299 302 G C -1.396 173.507 174.900 0.006 0.000 1.435 302 G CA -0.822 44.280 45.100 0.003 0.000 0.865 302 G HN 0.019 nan 8.290 nan 0.000 0.601 303 S N -1.199 114.509 115.700 0.012 0.000 2.509 303 S HA 0.793 5.263 4.470 -0.000 0.000 0.297 303 S C -0.539 174.072 174.600 0.018 0.000 1.118 303 S CA -0.787 57.419 58.200 0.010 0.000 1.074 303 S CB 1.998 65.203 63.200 0.008 0.000 1.038 303 S HN 1.330 nan 8.310 nan 0.000 0.498 304 V N 2.868 122.781 119.914 -0.001 0.000 2.409 304 V HA 0.381 4.501 4.120 -0.000 0.000 0.290 304 V C 0.003 176.063 176.094 -0.057 0.000 1.017 304 V CA -0.620 61.668 62.300 -0.020 0.000 0.841 304 V CB 1.438 33.246 31.823 -0.024 0.000 1.003 304 V HN 1.043 nan 8.190 nan 0.000 0.426 305 T N 4.078 118.584 114.554 -0.081 0.000 2.794 305 T HA 0.412 4.762 4.350 -0.000 0.000 0.296 305 T C 0.261 174.815 174.700 -0.243 0.000 0.949 305 T CA -0.184 61.832 62.100 -0.140 0.000 1.101 305 T CB 0.735 69.523 68.868 -0.134 0.000 0.905 305 T HN 0.849 nan 8.240 nan 0.000 0.516 306 S N 1.847 117.397 115.700 -0.251 0.000 2.561 306 S HA 0.651 5.121 4.470 -0.000 0.000 0.303 306 S C -0.743 173.654 174.600 -0.338 0.000 1.110 306 S CA -0.880 57.137 58.200 -0.304 0.000 1.034 306 S CB 1.289 64.361 63.200 -0.213 0.000 1.010 306 S HN 0.396 nan 8.310 nan 0.000 0.482 307 V N 3.271 122.931 119.914 -0.422 0.000 2.350 307 V HA 0.462 4.582 4.120 -0.000 0.000 0.285 307 V C -0.678 175.299 176.094 -0.196 0.000 1.014 307 V CA -0.528 61.589 62.300 -0.305 0.000 0.831 307 V CB 0.966 32.636 31.823 -0.256 0.000 1.000 307 V HN 0.952 nan 8.190 nan 0.000 0.433 308 Q N 3.258 122.945 119.800 -0.188 0.000 2.341 308 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 308 Q C -0.039 175.856 176.000 -0.176 0.000 1.013 308 Q CA -0.372 55.322 55.803 -0.180 0.000 0.798 308 Q CB 2.204 30.812 28.738 -0.216 0.000 1.253 308 Q HN 0.903 nan 8.270 nan 0.000 0.457 309 A N 2.629 125.389 122.820 -0.101 0.000 2.454 309 A HA 0.435 4.755 4.320 -0.000 0.000 0.260 309 A C -0.280 177.217 177.584 -0.145 0.000 1.106 309 A CA -0.277 51.707 52.037 -0.089 0.000 0.780 309 A CB 0.391 19.408 19.000 0.027 0.000 1.044 309 A HN 0.531 nan 8.150 nan 0.000 0.498 310 V N 3.766 123.511 119.914 -0.281 0.000 2.417 310 V HA 0.241 4.361 4.120 -0.000 0.000 0.291 310 V C -0.432 175.587 176.094 -0.124 0.000 1.024 310 V CA -0.508 61.612 62.300 -0.300 0.000 0.861 310 V CB 1.111 32.421 31.823 -0.855 0.000 0.985 310 V HN 0.816 nan 8.190 nan 0.000 0.436 311 Y N 4.951 125.181 120.300 -0.116 0.000 2.304 311 Y HA 0.569 5.119 4.550 -0.000 0.000 0.327 311 Y C -0.118 175.551 175.900 -0.385 0.000 1.209 311 Y CA -0.345 57.615 58.100 -0.233 0.000 1.299 311 Y CB 1.500 39.801 38.460 -0.265 0.000 1.249 311 Y HN 0.386 nan 8.280 nan 0.000 0.519 312 V N 7.941 127.241 119.914 -1.023 0.000 2.326 312 V HA 0.323 4.443 4.120 -0.000 0.000 0.281 312 V C -2.423 173.079 176.094 -0.988 0.000 1.015 312 V CA -2.119 59.749 62.300 -0.720 0.000 0.823 312 V CB 0.893 32.536 31.823 -0.301 0.000 1.009 312 V HN 0.699 nan 8.190 nan 0.000 0.436 313 P HA 0.240 nan 4.420 nan 0.000 0.271 313 P C 0.551 177.759 177.300 -0.153 0.000 1.220 313 P CA 0.403 63.328 63.100 -0.293 0.000 0.768 313 P CB 0.897 32.596 31.700 -0.003 0.000 0.848 314 A N 3.723 126.491 122.820 -0.086 0.000 2.748 314 A HA -0.253 4.067 4.320 -0.000 0.000 0.297 314 A C 0.951 178.496 177.584 -0.065 0.000 1.508 314 A CA 1.184 53.197 52.037 -0.040 0.000 0.799 314 A CB -2.603 16.398 19.000 0.001 0.000 1.011 314 A HN 0.617 nan 8.150 nan 0.000 0.500 315 D N -1.814 118.511 120.400 -0.125 0.000 3.067 315 D HA -0.199 4.441 4.640 -0.000 0.000 0.216 315 D C -0.088 176.175 176.300 -0.062 0.000 1.162 315 D CA 2.203 56.144 54.000 -0.098 0.000 0.960 315 D CB -1.020 39.747 40.800 -0.055 0.000 1.129 315 D HN 0.967 nan 8.370 nan 0.000 0.408 316 D N 0.171 120.540 120.400 -0.052 0.000 2.393 316 D HA 0.185 4.825 4.640 -0.000 0.000 0.232 316 D C 1.362 177.671 176.300 0.015 0.000 1.192 316 D CA -0.224 53.771 54.000 -0.008 0.000 0.882 316 D CB 0.142 40.952 40.800 0.016 0.000 1.038 316 D HN 0.158 nan 8.370 nan 0.000 0.499 317 L N 2.714 123.952 121.223 0.025 0.000 2.622 317 L HA -0.032 4.308 4.340 -0.000 0.000 0.233 317 L C 2.117 179.051 176.870 0.108 0.000 1.156 317 L CA 0.985 55.871 54.840 0.076 0.000 0.866 317 L CB -0.303 41.789 42.059 0.055 0.000 0.980 317 L HN 0.482 nan 8.230 nan 0.000 0.448 318 T N -5.342 109.256 114.554 0.074 0.000 3.044 318 T HA -0.018 4.332 4.350 -0.000 0.000 0.250 318 T C 0.648 175.416 174.700 0.112 0.000 1.081 318 T CA -0.406 61.741 62.100 0.078 0.000 1.040 318 T CB -0.243 68.651 68.868 0.042 0.000 0.962 318 T HN 0.188 nan 8.240 nan 0.000 0.506 319 D N 3.010 123.488 120.400 0.129 0.000 2.629 319 D HA 0.029 4.669 4.640 -0.000 0.000 0.228 319 D C -1.403 175.016 176.300 0.197 0.000 1.127 319 D CA -1.053 53.064 54.000 0.195 0.000 0.855 319 D CB 0.948 41.879 40.800 0.218 0.000 1.180 319 D HN 0.028 nan 8.370 nan 0.000 0.484 320 P HA -0.214 nan 4.420 nan 0.000 0.217 320 P C 0.714 177.991 177.300 -0.039 0.000 1.148 320 P CA 1.816 64.953 63.100 0.062 0.000 0.828 320 P CB 0.025 31.742 31.700 0.030 0.000 0.783 321 A N 0.618 123.386 122.820 -0.086 0.000 1.834 321 A HA -0.138 4.182 4.320 -0.000 0.000 0.216 321 A C 0.018 177.692 177.584 0.149 0.000 1.203 321 A CA 2.421 54.456 52.037 -0.004 0.000 0.621 321 A CB -2.257 16.907 19.000 0.274 0.000 0.841 321 A HN 0.209 nan 8.150 nan 0.000 0.446 322 P HA -0.102 nan 4.420 nan 0.000 0.217 322 P C 1.601 179.050 177.300 0.247 0.000 1.150 322 P CA 1.984 65.235 63.100 0.252 0.000 0.832 322 P CB -0.243 31.631 31.700 0.290 0.000 0.787 323 A N 0.048 123.027 122.820 0.266 0.000 1.948 323 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 323 A C 2.333 180.095 177.584 0.297 0.000 1.177 323 A CA 2.599 54.828 52.037 0.321 0.000 0.636 323 A CB -1.968 17.145 19.000 0.189 0.000 0.815 323 A HN 0.218 nan 8.150 nan 0.000 0.449 324 T N -0.355 114.317 114.554 0.196 0.000 2.904 324 T HA -0.064 4.286 4.350 -0.000 0.000 0.267 324 T C 1.885 176.731 174.700 0.244 0.000 1.059 324 T CA 1.648 63.855 62.100 0.177 0.000 1.137 324 T CB -0.407 68.531 68.868 0.116 0.000 0.879 324 T HN 0.605 nan 8.240 nan 0.000 0.467 325 T N 1.801 116.489 114.554 0.223 0.000 2.881 325 T HA -0.016 4.334 4.350 -0.000 0.000 0.270 325 T C 1.469 176.322 174.700 0.254 0.000 1.068 325 T CA 0.756 62.984 62.100 0.213 0.000 1.131 325 T CB -0.480 68.433 68.868 0.075 0.000 0.871 325 T HN 0.271 nan 8.240 nan 0.000 0.479 326 F N 2.169 122.277 119.950 0.264 0.000 2.046 326 F HA -0.080 4.447 4.527 -0.000 0.000 0.297 326 F C 2.760 178.631 175.800 0.118 0.000 1.123 326 F CA 1.145 59.251 58.000 0.176 0.000 1.199 326 F CB -1.042 37.962 39.000 0.007 0.000 0.972 326 F HN 0.136 nan 8.300 nan 0.000 0.474 327 A N -1.310 121.653 122.820 0.239 0.000 2.139 327 A HA -0.227 4.093 4.320 -0.000 0.000 0.221 327 A C 1.794 179.375 177.584 -0.005 0.000 1.159 327 A CA 1.619 53.697 52.037 0.068 0.000 0.662 327 A CB -1.105 17.879 19.000 -0.027 0.000 0.796 327 A HN 0.533 nan 8.150 nan 0.000 0.463 328 H N -1.179 117.950 119.070 0.097 0.000 2.555 328 H HA 0.235 4.791 4.556 -0.000 0.000 0.269 328 H C 0.080 175.433 175.328 0.041 0.000 0.988 328 H CA 0.539 56.617 56.048 0.051 0.000 1.178 328 H CB -0.009 29.766 29.762 0.021 0.000 1.373 328 H HN 0.377 nan 8.280 nan 0.000 0.588 329 L N 0.037 121.365 121.223 0.176 0.000 2.330 329 L HA 0.201 4.541 4.340 -0.000 0.000 0.271 329 L C 0.958 177.894 176.870 0.110 0.000 1.013 329 L CA -0.602 54.314 54.840 0.127 0.000 0.816 329 L CB 1.874 44.024 42.059 0.151 0.000 1.287 329 L HN -0.100 nan 8.230 nan 0.000 0.435 330 D N 0.684 121.131 120.400 0.079 0.000 2.324 330 D HA 0.158 4.798 4.640 -0.000 0.000 0.212 330 D C 0.244 176.610 176.300 0.109 0.000 0.984 330 D CA 0.586 54.634 54.000 0.079 0.000 0.885 330 D CB 0.939 41.772 40.800 0.055 0.000 0.996 330 D HN 0.508 nan 8.370 nan 0.000 0.505 331 A N 0.966 123.859 122.820 0.121 0.000 2.393 331 A HA 0.560 4.880 4.320 -0.000 0.000 0.306 331 A C -0.271 177.435 177.584 0.203 0.000 1.050 331 A CA -0.546 51.606 52.037 0.192 0.000 0.724 331 A CB 1.556 20.750 19.000 0.323 0.000 1.248 331 A HN 0.001 nan 8.150 nan 0.000 0.424 332 T N -0.562 114.142 114.554 0.250 0.000 2.829 332 T HA 0.732 5.082 4.350 -0.000 0.000 0.280 332 T C -0.357 174.508 174.700 0.276 0.000 0.999 332 T CA -0.234 62.051 62.100 0.309 0.000 0.983 332 T CB 1.264 70.348 68.868 0.361 0.000 0.968 332 T HN 1.193 nan 8.240 nan 0.000 0.446 333 T N 0.080 114.796 114.554 0.270 0.000 2.864 333 T HA 0.543 4.893 4.350 -0.000 0.000 0.299 333 T C -0.387 174.395 174.700 0.137 0.000 1.011 333 T CA -0.751 61.450 62.100 0.169 0.000 0.975 333 T CB 0.761 69.706 68.868 0.129 0.000 0.962 333 T HN 0.582 nan 8.240 nan 0.000 0.448 334 V N 5.352 125.338 119.914 0.120 0.000 2.385 334 V HA 0.317 4.437 4.120 -0.000 0.000 0.269 334 V C 0.286 176.416 176.094 0.059 0.000 1.043 334 V CA -0.736 61.636 62.300 0.119 0.000 0.906 334 V CB 0.620 32.485 31.823 0.070 0.000 0.995 334 V HN 0.818 nan 8.190 nan 0.000 0.467 335 L N 4.753 126.010 121.223 0.058 0.000 2.281 335 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 335 L C 0.532 177.426 176.870 0.040 0.000 1.074 335 L CA 0.321 55.184 54.840 0.039 0.000 0.817 335 L CB 1.359 43.443 42.059 0.041 0.000 1.168 335 L HN 0.690 nan 8.230 nan 0.000 0.434 336 S N 3.345 119.059 115.700 0.024 0.000 2.454 336 S HA 0.321 4.791 4.470 -0.000 0.000 0.306 336 S C 0.887 175.486 174.600 -0.003 0.000 1.100 336 S CA -0.772 57.431 58.200 0.007 0.000 1.087 336 S CB 1.673 64.871 63.200 -0.004 0.000 1.019 336 S HN 0.745 nan 8.310 nan 0.000 0.480 337 R N 3.425 123.923 120.500 -0.004 0.000 2.096 337 R HA -0.033 4.307 4.340 -0.000 0.000 0.235 337 R C 2.137 178.424 176.300 -0.023 0.000 1.127 337 R CA 1.904 58.000 56.100 -0.006 0.000 0.968 337 R CB -1.114 29.184 30.300 -0.003 0.000 0.861 337 R HN 0.874 nan 8.270 nan 0.000 0.440 338 G N 1.859 110.644 108.800 -0.024 0.000 2.529 338 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 338 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 338 G C 1.409 176.284 174.900 -0.041 0.000 1.177 338 G CA 1.059 46.141 45.100 -0.030 0.000 0.773 338 G HN 0.214 nan 8.290 nan 0.000 0.573 339 I N 2.042 122.585 120.570 -0.045 0.000 2.142 339 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 339 I C 3.245 179.273 176.117 -0.148 0.000 1.078 339 I CA 1.978 63.239 61.300 -0.065 0.000 1.343 339 I CB -1.353 36.620 38.000 -0.044 0.000 1.046 339 I HN 0.417 nan 8.210 nan 0.000 0.405 340 S N 0.679 116.270 115.700 -0.181 0.000 2.400 340 S HA -0.227 4.243 4.470 -0.000 0.000 0.232 340 S C 1.703 176.137 174.600 -0.277 0.000 1.025 340 S CA 1.416 59.399 58.200 -0.362 0.000 0.993 340 S CB -0.620 62.503 63.200 -0.129 0.000 0.808 340 S HN 0.527 nan 8.310 nan 0.000 0.478 341 E N 0.508 120.640 120.200 -0.115 0.000 2.427 341 E HA 0.192 4.542 4.350 -0.000 0.000 0.196 341 E C 1.708 178.279 176.600 -0.048 0.000 1.028 341 E CA 0.311 56.681 56.400 -0.050 0.000 0.864 341 E CB -0.126 29.563 29.700 -0.018 0.000 0.813 341 E HN 0.533 nan 8.360 nan 0.000 0.514 342 L N -0.876 120.302 121.223 -0.075 0.000 2.341 342 L HA 0.081 4.421 4.340 -0.000 0.000 0.214 342 L C 1.441 178.285 176.870 -0.043 0.000 1.115 342 L CA 0.829 55.641 54.840 -0.047 0.000 0.820 342 L CB 0.055 42.096 42.059 -0.029 0.000 0.944 342 L HN 0.361 nan 8.230 nan 0.000 0.452 343 G N 0.284 109.020 108.800 -0.108 0.000 2.148 343 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.203 343 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.203 343 G C 0.219 175.138 174.900 0.031 0.000 0.993 343 G CA -0.535 44.557 45.100 -0.014 0.000 0.661 343 G HN 0.122 nan 8.290 nan 0.000 0.518 344 I N 1.724 122.223 120.570 -0.119 0.000 2.311 344 I HA 0.372 4.542 4.170 -0.000 0.000 0.297 344 I C -0.075 175.900 176.117 -0.236 0.000 1.131 344 I CA -0.353 60.921 61.300 -0.043 0.000 1.289 344 I CB -0.950 37.052 38.000 0.004 0.000 1.446 344 I HN 0.040 nan 8.210 nan 0.000 0.524 345 Y N 7.156 127.465 120.300 0.014 0.000 2.429 345 Y HA 0.447 4.997 4.550 -0.000 0.000 0.342 345 Y C -2.015 173.764 175.900 -0.201 0.000 1.004 345 Y CA -2.929 55.131 58.100 -0.066 0.000 1.075 345 Y CB 1.542 39.950 38.460 -0.087 0.000 1.214 345 Y HN 0.383 nan 8.280 nan 0.000 0.455 346 P HA 0.078 nan 4.420 nan 0.000 0.268 346 P C -0.605 176.824 177.300 0.214 0.000 1.204 346 P CA -0.092 63.142 63.100 0.224 0.000 0.768 346 P CB 0.854 32.823 31.700 0.448 0.000 0.842 347 A N 4.218 127.169 122.820 0.219 0.000 3.052 347 A HA 0.229 4.549 4.320 -0.000 0.000 0.266 347 A C 0.337 177.964 177.584 0.072 0.000 1.855 347 A CA -0.174 51.897 52.037 0.057 0.000 1.473 347 A CB -1.194 17.806 19.000 -0.000 0.000 1.038 347 A HN 0.371 nan 8.150 nan 0.000 0.619 348 V N 2.009 121.974 119.914 0.086 0.000 2.383 348 V HA 0.117 4.237 4.120 -0.000 0.000 0.275 348 V C 0.290 176.411 176.094 0.045 0.000 1.036 348 V CA -0.874 61.468 62.300 0.069 0.000 0.889 348 V CB 1.392 33.281 31.823 0.109 0.000 0.985 348 V HN 0.670 nan 8.190 nan 0.000 0.459 349 D N 8.255 128.673 120.400 0.030 0.000 2.349 349 D HA 0.086 4.726 4.640 -0.000 0.000 0.266 349 D C -1.275 175.035 176.300 0.016 0.000 1.293 349 D CA -1.435 52.575 54.000 0.017 0.000 0.926 349 D CB 1.779 42.582 40.800 0.005 0.000 1.090 349 D HN 0.310 nan 8.370 nan 0.000 0.502 350 P HA -0.023 nan 4.420 nan 0.000 0.233 350 P C 0.966 178.261 177.300 -0.009 0.000 1.167 350 P CA 0.466 63.568 63.100 0.002 0.000 0.770 350 P CB 0.366 32.069 31.700 0.004 0.000 0.837 351 L N -1.266 119.951 121.223 -0.010 0.000 2.857 351 L HA 0.316 4.656 4.340 -0.000 0.000 0.249 351 L C 1.319 178.169 176.870 -0.034 0.000 1.172 351 L CA 0.245 55.072 54.840 -0.022 0.000 0.980 351 L CB 0.096 42.142 42.059 -0.022 0.000 1.299 351 L HN -0.157 nan 8.230 nan 0.000 0.535 352 D N -1.221 119.162 120.400 -0.029 0.000 2.448 352 D HA 0.073 4.713 4.640 -0.000 0.000 0.256 352 D C 0.547 176.829 176.300 -0.029 0.000 1.108 352 D CA 0.279 54.249 54.000 -0.050 0.000 0.848 352 D CB 0.744 41.511 40.800 -0.054 0.000 1.281 352 D HN -0.076 nan 8.370 nan 0.000 0.509 353 S N 0.946 116.652 115.700 0.010 0.000 2.565 353 S HA 0.409 4.879 4.470 -0.000 0.000 0.276 353 S C 0.019 174.647 174.600 0.046 0.000 1.326 353 S CA -0.158 58.074 58.200 0.054 0.000 1.045 353 S CB 1.300 64.541 63.200 0.068 0.000 0.918 353 S HN 0.020 nan 8.310 nan 0.000 0.505 354 K N 0.853 121.301 120.400 0.081 0.000 2.509 354 K HA 0.703 5.023 4.320 -0.000 0.000 0.266 354 K C -0.821 175.846 176.600 0.111 0.000 0.987 354 K CA -0.626 55.703 56.287 0.070 0.000 0.868 354 K CB 2.086 34.609 32.500 0.038 0.000 1.421 354 K HN 0.594 nan 8.250 nan 0.000 0.444 355 S N -0.123 115.632 115.700 0.091 0.000 2.547 355 S HA 0.352 4.822 4.470 -0.000 0.000 0.270 355 S C 0.066 174.711 174.600 0.075 0.000 1.150 355 S CA -0.575 57.689 58.200 0.106 0.000 0.850 355 S CB 1.604 64.879 63.200 0.125 0.000 1.118 355 S HN 0.616 nan 8.310 nan 0.000 0.461 356 R N 1.570 122.112 120.500 0.070 0.000 2.148 356 R HA 0.153 4.493 4.340 -0.000 0.000 0.223 356 R C 1.399 177.722 176.300 0.039 0.000 1.088 356 R CA 0.794 56.923 56.100 0.048 0.000 0.985 356 R CB -0.309 30.016 30.300 0.042 0.000 0.880 356 R HN 0.652 nan 8.270 nan 0.000 0.451 357 L N 0.769 122.020 121.223 0.047 0.000 2.551 357 L HA -0.055 4.285 4.340 -0.000 0.000 0.228 357 L C 0.744 177.619 176.870 0.009 0.000 1.153 357 L CA 0.072 54.930 54.840 0.030 0.000 0.851 357 L CB -0.172 41.915 42.059 0.047 0.000 0.959 357 L HN 0.091 nan 8.230 nan 0.000 0.451 358 L N 1.583 122.823 121.223 0.029 0.000 2.400 358 L HA 0.141 4.481 4.340 -0.000 0.000 0.262 358 L C -0.344 176.591 176.870 0.109 0.000 1.309 358 L CA 0.677 55.548 54.840 0.052 0.000 1.186 358 L CB -0.627 41.472 42.059 0.068 0.000 1.375 358 L HN 0.015 nan 8.230 nan 0.000 0.433 359 D N 1.806 122.211 120.400 0.008 0.000 2.936 359 D HA 0.295 4.935 4.640 -0.000 0.000 0.238 359 D C 0.723 176.908 176.300 -0.192 0.000 1.248 359 D CA 0.166 54.085 54.000 -0.136 0.000 0.903 359 D CB 2.234 42.980 40.800 -0.090 0.000 1.544 359 D HN 0.310 nan 8.370 nan 0.000 0.543 360 A N 3.361 125.931 122.820 -0.417 0.000 1.927 360 A HA -0.129 4.191 4.320 -0.000 0.000 0.220 360 A C 1.821 179.334 177.584 -0.119 0.000 1.185 360 A CA 2.216 54.097 52.037 -0.259 0.000 0.639 360 A CB -0.571 18.227 19.000 -0.337 0.000 0.820 360 A HN 0.654 nan 8.150 nan 0.000 0.451 361 A N -1.349 121.398 122.820 -0.121 0.000 2.261 361 A HA 0.397 4.717 4.320 -0.000 0.000 0.208 361 A C 1.369 178.928 177.584 -0.043 0.000 1.223 361 A CA 1.146 53.142 52.037 -0.067 0.000 0.833 361 A CB -0.261 18.700 19.000 -0.065 0.000 0.830 361 A HN 0.450 nan 8.150 nan 0.000 0.483 362 V N -1.742 118.146 119.914 -0.043 0.000 3.229 362 V HA -0.026 4.094 4.120 -0.000 0.000 0.239 362 V C 1.871 177.962 176.094 -0.006 0.000 1.390 362 V CA 1.123 63.410 62.300 -0.020 0.000 1.231 362 V CB 0.780 32.590 31.823 -0.021 0.000 1.025 362 V HN 0.445 nan 8.190 nan 0.000 0.461 363 V N -1.888 118.009 119.914 -0.028 0.000 3.621 363 V HA 0.788 4.908 4.120 -0.000 0.000 0.263 363 V C 0.856 176.991 176.094 0.068 0.000 1.272 363 V CA 0.396 62.686 62.300 -0.016 0.000 1.080 363 V CB -0.111 31.526 31.823 -0.310 0.000 0.816 363 V HN 0.941 nan 8.190 nan 0.000 0.451 364 G N 0.675 109.501 108.800 0.044 0.000 2.785 364 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.686 364 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.686 364 G C -0.061 174.903 174.900 0.106 0.000 1.155 364 G CA 0.084 45.226 45.100 0.070 0.000 0.760 364 G HN 0.153 nan 8.290 nan 0.000 0.624 365 Q N 0.437 120.288 119.800 0.085 0.000 2.133 365 Q HA -0.174 4.166 4.340 -0.000 0.000 0.208 365 Q C 2.294 178.392 176.000 0.164 0.000 0.991 365 Q CA 2.325 58.199 55.803 0.118 0.000 0.867 365 Q CB -0.113 28.672 28.738 0.077 0.000 0.911 365 Q HN 0.903 nan 8.270 nan 0.000 0.417 366 E N -0.231 120.052 120.200 0.139 0.000 2.012 366 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 366 E C 2.057 178.770 176.600 0.189 0.000 1.007 366 E CA 1.220 57.704 56.400 0.140 0.000 0.816 366 E CB -0.217 29.551 29.700 0.114 0.000 0.762 366 E HN 0.559 nan 8.360 nan 0.000 0.451 367 H N -1.358 117.761 119.070 0.082 0.000 2.319 367 H HA -0.237 4.319 4.556 -0.000 0.000 0.297 367 H C 2.240 177.608 175.328 0.067 0.000 1.097 367 H CA 1.699 57.786 56.048 0.065 0.000 1.285 367 H CB -0.158 29.640 29.762 0.060 0.000 1.368 367 H HN 0.289 nan 8.280 nan 0.000 0.495 368 Y N 1.758 122.077 120.300 0.031 0.000 2.097 368 Y HA -0.262 4.288 4.550 -0.000 0.000 0.282 368 Y C 2.232 178.148 175.900 0.026 0.000 1.152 368 Y CA 2.097 60.172 58.100 -0.041 0.000 1.136 368 Y CB -0.459 37.968 38.460 -0.055 0.000 0.975 368 Y HN 0.306 nan 8.280 nan 0.000 0.498 369 D N -0.712 119.736 120.400 0.080 0.000 2.178 369 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 369 D C 2.368 178.653 176.300 -0.026 0.000 0.980 369 D CA 1.329 55.334 54.000 0.010 0.000 0.842 369 D CB -0.177 40.684 40.800 0.101 0.000 0.948 369 D HN 0.321 nan 8.370 nan 0.000 0.472 370 V N 1.431 121.364 119.914 0.032 0.000 2.244 370 V HA -0.219 3.901 4.120 -0.000 0.000 0.244 370 V C 2.590 178.677 176.094 -0.012 0.000 1.042 370 V CA 1.843 64.171 62.300 0.047 0.000 1.006 370 V CB -0.830 31.051 31.823 0.097 0.000 0.641 370 V HN 0.167 nan 8.190 nan 0.000 0.446 371 A N -0.965 121.837 122.820 -0.030 0.000 1.948 371 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 371 A C 2.519 179.997 177.584 -0.177 0.000 1.177 371 A CA 2.392 54.367 52.037 -0.104 0.000 0.636 371 A CB -0.808 18.148 19.000 -0.073 0.000 0.815 371 A HN 0.465 nan 8.150 nan 0.000 0.449 372 S N -0.835 114.691 115.700 -0.290 0.000 2.356 372 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 372 S C 2.026 176.541 174.600 -0.141 0.000 1.032 372 S CA 1.903 59.915 58.200 -0.313 0.000 1.005 372 S CB -0.202 62.712 63.200 -0.477 0.000 0.867 372 S HN 0.629 nan 8.310 nan 0.000 0.449 373 K N 0.266 120.614 120.400 -0.086 0.000 2.217 373 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 373 K C 1.861 178.456 176.600 -0.008 0.000 1.051 373 K CA 0.629 56.899 56.287 -0.028 0.000 0.952 373 K CB -0.130 32.371 32.500 0.002 0.000 0.736 373 K HN 0.147 nan 8.250 nan 0.000 0.453 374 V N 1.803 121.710 119.914 -0.012 0.000 2.343 374 V HA -0.301 3.818 4.120 -0.000 0.000 0.247 374 V C 2.142 178.233 176.094 -0.007 0.000 1.051 374 V CA 1.761 64.065 62.300 0.007 0.000 1.036 374 V CB -0.396 31.409 31.823 -0.031 0.000 0.654 374 V HN 0.389 nan 8.190 nan 0.000 0.451 375 Q N -0.541 119.236 119.800 -0.038 0.000 2.046 375 Q HA -0.210 4.130 4.340 -0.000 0.000 0.200 375 Q C 2.260 178.253 176.000 -0.012 0.000 0.975 375 Q CA 1.543 57.328 55.803 -0.030 0.000 0.836 375 Q CB -0.239 28.466 28.738 -0.055 0.000 0.896 375 Q HN 0.691 nan 8.270 nan 0.000 0.428 376 E N 0.311 120.500 120.200 -0.017 0.000 2.086 376 E HA -0.199 4.151 4.350 -0.000 0.000 0.200 376 E C 2.065 178.676 176.600 0.017 0.000 1.012 376 E CA 1.738 58.136 56.400 -0.002 0.000 0.812 376 E CB -0.110 29.587 29.700 -0.005 0.000 0.743 376 E HN 0.313 nan 8.360 nan 0.000 0.453 377 T N 1.531 116.099 114.554 0.024 0.000 2.701 377 T HA -0.104 4.246 4.350 -0.000 0.000 0.263 377 T C 1.987 176.732 174.700 0.074 0.000 1.040 377 T CA 0.840 62.964 62.100 0.040 0.000 1.147 377 T CB -0.251 68.637 68.868 0.033 0.000 0.865 377 T HN 0.082 nan 8.240 nan 0.000 0.426 378 L N 1.076 122.345 121.223 0.077 0.000 2.265 378 L HA -0.131 4.208 4.340 -0.000 0.000 0.215 378 L C 2.781 179.714 176.870 0.106 0.000 1.117 378 L CA 0.986 55.900 54.840 0.124 0.000 0.782 378 L CB -0.425 41.689 42.059 0.091 0.000 0.914 378 L HN 0.255 nan 8.230 nan 0.000 0.441 379 Q N -0.010 119.823 119.800 0.054 0.000 2.062 379 Q HA -0.129 4.211 4.340 -0.000 0.000 0.196 379 Q C 2.054 178.071 176.000 0.030 0.000 0.967 379 Q CA 2.215 58.032 55.803 0.023 0.000 0.832 379 Q CB -0.429 28.311 28.738 0.004 0.000 0.899 379 Q HN 0.288 nan 8.270 nan 0.000 0.442 380 T N 0.385 114.970 114.554 0.052 0.000 2.803 380 T HA -0.175 4.175 4.350 -0.000 0.000 0.269 380 T C 1.248 176.010 174.700 0.103 0.000 1.052 380 T CA 1.491 63.626 62.100 0.058 0.000 1.136 380 T CB -0.541 68.361 68.868 0.055 0.000 0.864 380 T HN 0.425 nan 8.240 nan 0.000 0.467 381 Y N 1.968 122.263 120.300 -0.009 0.000 2.220 381 Y HA 0.094 4.644 4.550 -0.000 0.000 0.291 381 Y C 2.272 178.166 175.900 -0.009 0.000 1.129 381 Y CA 0.970 59.065 58.100 -0.009 0.000 1.161 381 Y CB -0.245 38.211 38.460 -0.008 0.000 0.997 381 Y HN 0.000 nan 8.280 nan 0.000 0.522 382 K N -0.583 119.708 120.400 -0.180 0.000 2.365 382 K HA -0.045 4.275 4.320 -0.000 0.000 0.199 382 K C 1.752 178.258 176.600 -0.157 0.000 1.045 382 K CA 0.999 57.132 56.287 -0.257 0.000 0.962 382 K CB -0.048 32.366 32.500 -0.143 0.000 0.759 382 K HN 0.227 nan 8.250 nan 0.000 0.469 383 S N 0.660 116.309 115.700 -0.085 0.000 2.522 383 S HA 0.083 4.553 4.470 -0.000 0.000 0.227 383 S C 1.364 175.931 174.600 -0.054 0.000 0.986 383 S CA 0.429 58.597 58.200 -0.054 0.000 0.929 383 S CB 0.135 63.322 63.200 -0.022 0.000 0.769 383 S HN 0.276 nan 8.310 nan 0.000 0.529 384 L N 0.322 121.501 121.223 -0.073 0.000 2.672 384 L HA 0.138 4.478 4.340 -0.000 0.000 0.236 384 L C 2.074 178.897 176.870 -0.079 0.000 1.092 384 L CA -0.059 54.755 54.840 -0.044 0.000 0.887 384 L CB -0.244 41.828 42.059 0.021 0.000 1.168 384 L HN 0.045 nan 8.230 nan 0.000 0.502 385 Q N 0.947 120.645 119.800 -0.171 0.000 2.105 385 Q HA -0.323 4.017 4.340 -0.000 0.000 0.217 385 Q C 1.401 177.350 176.000 -0.085 0.000 1.029 385 Q CA 2.485 58.183 55.803 -0.176 0.000 0.899 385 Q CB -0.634 27.986 28.738 -0.197 0.000 1.000 385 Q HN 0.495 nan 8.270 nan 0.000 0.414 386 D N 0.126 120.486 120.400 -0.067 0.000 2.088 386 D HA -0.119 4.521 4.640 -0.000 0.000 0.191 386 D C 2.165 178.450 176.300 -0.025 0.000 0.992 386 D CA 1.178 55.153 54.000 -0.041 0.000 0.831 386 D CB -0.515 40.263 40.800 -0.036 0.000 0.973 386 D HN 0.260 nan 8.370 nan 0.000 0.447 387 I N 0.899 121.457 120.570 -0.020 0.000 2.236 387 I HA -0.259 3.911 4.170 -0.000 0.000 0.249 387 I C 2.106 178.224 176.117 0.002 0.000 1.102 387 I CA 0.689 61.985 61.300 -0.007 0.000 1.365 387 I CB -0.256 37.742 38.000 -0.003 0.000 1.051 387 I HN 0.066 nan 8.210 nan 0.000 0.420 388 I N 0.870 121.444 120.570 0.005 0.000 2.202 388 I HA -0.198 3.971 4.170 -0.000 0.000 0.242 388 I C 2.821 178.947 176.117 0.014 0.000 1.091 388 I CA 1.642 62.956 61.300 0.022 0.000 1.368 388 I CB -1.854 36.177 38.000 0.051 0.000 1.058 388 I HN 0.189 nan 8.210 nan 0.000 0.410 389 A N 1.180 124.000 122.820 0.000 0.000 1.978 389 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 389 A C 2.260 179.843 177.584 -0.001 0.000 1.170 389 A CA 1.311 53.347 52.037 -0.002 0.000 0.636 389 A CB -0.470 18.521 19.000 -0.014 0.000 0.810 389 A HN 0.290 nan 8.150 nan 0.000 0.448 390 I N -1.065 119.504 120.570 -0.003 0.000 2.206 390 I HA -0.061 4.109 4.170 -0.000 0.000 0.239 390 I C 2.287 178.405 176.117 0.001 0.000 1.078 390 I CA 1.246 62.545 61.300 -0.002 0.000 1.367 390 I CB -1.131 36.866 38.000 -0.005 0.000 1.078 390 I HN 0.261 nan 8.210 nan 0.000 0.413 391 L N -0.830 120.396 121.223 0.004 0.000 2.470 391 L HA 0.333 4.673 4.340 -0.000 0.000 0.219 391 L C 1.055 177.930 176.870 0.008 0.000 1.071 391 L CA 0.469 55.312 54.840 0.005 0.000 0.850 391 L CB 0.279 42.341 42.059 0.005 0.000 1.040 391 L HN 0.471 nan 8.230 nan 0.000 0.475 392 G N -0.637 108.171 108.800 0.013 0.000 2.526 392 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.250 392 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.250 392 G C 0.120 175.033 174.900 0.021 0.000 1.289 392 G CA -0.201 44.909 45.100 0.017 0.000 0.947 392 G HN -0.162 nan 8.290 nan 0.000 0.517 393 M N 0.124 119.736 119.600 0.021 0.000 2.435 393 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 393 M C 1.859 178.168 176.300 0.015 0.000 1.104 393 M CA 1.479 56.792 55.300 0.022 0.000 1.140 393 M CB -0.763 31.848 32.600 0.018 0.000 1.372 393 M HN 0.575 nan 8.290 nan 0.000 0.456 394 D N 0.944 121.351 120.400 0.011 0.000 2.218 394 D HA -0.125 4.515 4.640 -0.000 0.000 0.204 394 D C 1.356 177.660 176.300 0.007 0.000 0.976 394 D CA 0.961 54.965 54.000 0.007 0.000 0.853 394 D CB -0.163 40.641 40.800 0.006 0.000 0.939 394 D HN 0.339 nan 8.370 nan 0.000 0.481 395 E N 0.187 120.393 120.200 0.009 0.000 2.476 395 E HA 0.105 4.455 4.350 -0.000 0.000 0.191 395 E C 0.705 177.311 176.600 0.009 0.000 1.064 395 E CA -0.088 56.317 56.400 0.008 0.000 0.866 395 E CB 0.318 30.022 29.700 0.007 0.000 0.952 395 E HN 0.359 nan 8.360 nan 0.000 0.492 396 L N 1.192 122.422 121.223 0.011 0.000 2.399 396 L HA 0.161 4.501 4.340 -0.000 0.000 0.265 396 L C 0.965 177.841 176.870 0.010 0.000 1.089 396 L CA -0.613 54.235 54.840 0.013 0.000 0.802 396 L CB 1.032 43.102 42.059 0.019 0.000 1.180 396 L HN -0.043 nan 8.230 nan 0.000 0.454 397 S N -0.048 115.657 115.700 0.010 0.000 2.600 397 S HA 0.114 4.584 4.470 -0.000 0.000 0.265 397 S C 0.841 175.445 174.600 0.006 0.000 1.325 397 S CA -0.699 57.506 58.200 0.007 0.000 1.002 397 S CB 1.119 64.323 63.200 0.007 0.000 0.921 397 S HN 0.565 nan 8.310 nan 0.000 0.554 398 E N 0.856 121.059 120.200 0.004 0.000 2.070 398 E HA -0.225 4.125 4.350 -0.000 0.000 0.197 398 E C 2.022 178.623 176.600 0.001 0.000 1.004 398 E CA 1.652 58.053 56.400 0.002 0.000 0.805 398 E CB -0.593 29.108 29.700 0.001 0.000 0.744 398 E HN 0.863 nan 8.360 nan 0.000 0.451 399 Q N 0.239 120.041 119.800 0.003 0.000 2.084 399 Q HA -0.157 4.183 4.340 -0.000 0.000 0.202 399 Q C 1.604 177.607 176.000 0.005 0.000 0.978 399 Q CA 1.390 57.196 55.803 0.004 0.000 0.844 399 Q CB 0.135 28.876 28.738 0.006 0.000 0.898 399 Q HN 0.213 nan 8.270 nan 0.000 0.426 400 D N 0.160 120.567 120.400 0.011 0.000 2.144 400 D HA -0.153 4.487 4.640 -0.000 0.000 0.200 400 D C 1.651 177.960 176.300 0.014 0.000 0.978 400 D CA 0.880 54.891 54.000 0.019 0.000 0.833 400 D CB -0.093 40.723 40.800 0.026 0.000 0.961 400 D HN 0.199 nan 8.370 nan 0.000 0.470 401 K N 0.508 120.912 120.400 0.006 0.000 2.063 401 K HA -0.165 4.154 4.320 -0.000 0.000 0.208 401 K C 2.216 178.803 176.600 -0.021 0.000 1.048 401 K CA 0.633 56.918 56.287 -0.004 0.000 0.928 401 K CB -0.161 32.338 32.500 -0.003 0.000 0.713 401 K HN 0.045 nan 8.250 nan 0.000 0.442 402 L N 0.929 122.141 121.223 -0.018 0.000 2.027 402 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 402 L C 1.991 178.837 176.870 -0.039 0.000 1.074 402 L CA 1.978 56.802 54.840 -0.027 0.000 0.745 402 L CB -0.785 41.264 42.059 -0.016 0.000 0.898 402 L HN 0.083 nan 8.230 nan 0.000 0.433 403 T N -0.997 113.543 114.554 -0.025 0.000 2.788 403 T HA -0.144 4.206 4.350 -0.000 0.000 0.268 403 T C 1.936 176.596 174.700 -0.066 0.000 1.044 403 T CA 1.551 63.636 62.100 -0.025 0.000 1.139 403 T CB -0.397 68.475 68.868 0.008 0.000 0.867 403 T HN 0.217 nan 8.240 nan 0.000 0.454 404 V N 1.363 121.230 119.914 -0.078 0.000 2.255 404 V HA -0.129 3.991 4.120 -0.000 0.000 0.243 404 V C 2.483 178.399 176.094 -0.296 0.000 1.038 404 V CA 1.625 63.806 62.300 -0.198 0.000 1.008 404 V CB -0.582 31.194 31.823 -0.078 0.000 0.645 404 V HN 0.472 nan 8.190 nan 0.000 0.449 405 E N -0.273 119.821 120.200 -0.178 0.000 2.130 405 E HA -0.280 4.070 4.350 -0.000 0.000 0.196 405 E C 2.391 178.871 176.600 -0.200 0.000 0.998 405 E CA 1.488 57.788 56.400 -0.166 0.000 0.806 405 E CB -0.172 29.470 29.700 -0.096 0.000 0.738 405 E HN 0.400 nan 8.360 nan 0.000 0.459 406 R N 0.195 120.588 120.500 -0.178 0.000 2.073 406 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 406 R C 2.246 178.420 176.300 -0.210 0.000 1.120 406 R CA 1.069 57.058 56.100 -0.185 0.000 0.967 406 R CB -0.119 30.116 30.300 -0.108 0.000 0.862 406 R HN 0.147 nan 8.270 nan 0.000 0.436 407 A N 1.052 123.742 122.820 -0.216 0.000 1.902 407 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 407 A C 2.112 179.525 177.584 -0.286 0.000 1.181 407 A CA 1.409 53.316 52.037 -0.217 0.000 0.623 407 A CB -0.433 18.413 19.000 -0.256 0.000 0.818 407 A HN 0.324 nan 8.150 nan 0.000 0.443 408 R N -0.353 119.888 120.500 -0.431 0.000 2.096 408 R HA -0.117 4.222 4.340 -0.000 0.000 0.235 408 R C 2.186 178.370 176.300 -0.193 0.000 1.127 408 R CA 1.702 57.606 56.100 -0.327 0.000 0.968 408 R CB -0.228 29.882 30.300 -0.317 0.000 0.861 408 R HN 0.537 nan 8.270 nan 0.000 0.440 409 K N 0.511 120.733 120.400 -0.296 0.000 2.007 409 K HA -0.053 4.267 4.320 -0.000 0.000 0.206 409 K C 2.065 178.475 176.600 -0.317 0.000 1.047 409 K CA 1.236 57.220 56.287 -0.505 0.000 0.937 409 K CB -0.175 31.677 32.500 -1.080 0.000 0.718 409 K HN 0.054 nan 8.250 nan 0.000 0.438 410 I N 1.534 121.991 120.570 -0.189 0.000 2.185 410 I HA -0.387 3.783 4.170 -0.000 0.000 0.246 410 I C 2.776 179.040 176.117 0.245 0.000 1.088 410 I CA 1.492 62.873 61.300 0.135 0.000 1.347 410 I CB -0.276 37.813 38.000 0.148 0.000 1.041 410 I HN 0.327 nan 8.210 nan 0.000 0.415 411 Q N 0.563 120.436 119.800 0.123 0.000 2.224 411 Q HA -0.167 4.173 4.340 -0.000 0.000 0.203 411 Q C 2.292 178.401 176.000 0.182 0.000 0.970 411 Q CA 1.201 57.092 55.803 0.146 0.000 0.865 411 Q CB 0.163 28.974 28.738 0.121 0.000 0.922 411 Q HN 0.499 nan 8.270 nan 0.000 0.445 412 R N -0.998 119.618 120.500 0.193 0.000 2.112 412 R HA -0.023 4.317 4.340 -0.000 0.000 0.216 412 R C 1.950 178.462 176.300 0.354 0.000 1.080 412 R CA 0.481 56.748 56.100 0.279 0.000 0.996 412 R CB -0.148 30.314 30.300 0.271 0.000 0.902 412 R HN 0.157 nan 8.270 nan 0.000 0.449 413 F N 1.522 121.572 119.950 0.166 0.000 2.408 413 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 413 F C 1.449 177.403 175.800 0.255 0.000 1.090 413 F CA 0.997 59.093 58.000 0.160 0.000 1.427 413 F CB -0.010 38.993 39.000 0.006 0.000 1.070 413 F HN -0.059 nan 8.300 nan 0.000 0.549 414 L N -0.625 120.795 121.223 0.328 0.000 2.567 414 L HA 0.069 4.409 4.340 -0.000 0.000 0.225 414 L C 1.297 178.225 176.870 0.098 0.000 1.119 414 L CA 0.122 55.082 54.840 0.200 0.000 0.871 414 L CB -0.552 41.603 42.059 0.160 0.000 1.036 414 L HN 0.037 nan 8.230 nan 0.000 0.459 415 S N -0.231 115.521 115.700 0.087 0.000 2.593 415 S HA 0.329 4.799 4.470 -0.000 0.000 0.269 415 S C -0.317 174.231 174.600 -0.086 0.000 1.334 415 S CA -0.411 57.779 58.200 -0.017 0.000 1.015 415 S CB 1.831 64.993 63.200 -0.063 0.000 0.912 415 S HN 0.280 nan 8.310 nan 0.000 0.541 416 Q N 0.547 120.237 119.800 -0.185 0.000 2.327 416 Q HA 0.401 4.741 4.340 -0.000 0.000 0.265 416 Q C -3.137 172.681 176.000 -0.303 0.000 0.993 416 Q CA -1.911 53.779 55.803 -0.188 0.000 0.885 416 Q CB 2.283 30.976 28.738 -0.075 0.000 1.379 416 Q HN 0.525 nan 8.270 nan 0.000 0.408 417 P HA 0.249 nan 4.420 nan 0.000 0.282 417 P C -1.118 176.243 177.300 0.101 0.000 1.262 417 P CA -0.091 62.956 63.100 -0.087 0.000 0.773 417 P CB 0.235 31.910 31.700 -0.042 0.000 0.879 418 F N 1.617 121.562 119.950 -0.010 0.000 2.404 418 F HA 0.408 4.935 4.527 -0.000 0.000 0.339 418 F C 1.757 177.541 175.800 -0.026 0.000 1.105 418 F CA -1.488 56.495 58.000 -0.028 0.000 1.087 418 F CB 0.574 39.556 39.000 -0.031 0.000 1.143 418 F HN 0.377 nan 8.300 nan 0.000 0.491 419 A N 2.933 125.836 122.820 0.138 0.000 1.940 419 A HA -0.104 4.215 4.320 -0.000 0.000 0.219 419 A C 2.132 179.728 177.584 0.021 0.000 1.176 419 A CA 2.044 54.105 52.037 0.040 0.000 0.631 419 A CB -0.842 18.151 19.000 -0.012 0.000 0.814 419 A HN 0.559 nan 8.150 nan 0.000 0.446 420 V N -0.396 119.536 119.914 0.030 0.000 2.270 420 V HA -0.160 3.960 4.120 -0.000 0.000 0.245 420 V C 2.527 178.645 176.094 0.041 0.000 1.043 420 V CA 1.724 64.035 62.300 0.020 0.000 1.014 420 V CB -1.011 30.826 31.823 0.023 0.000 0.645 420 V HN 0.578 nan 8.190 nan 0.000 0.447 421 A N -0.661 122.248 122.820 0.148 0.000 2.324 421 A HA 0.025 4.345 4.320 -0.000 0.000 0.240 421 A C 1.848 179.458 177.584 0.042 0.000 1.347 421 A CA 0.401 52.560 52.037 0.204 0.000 1.036 421 A CB -0.721 18.501 19.000 0.371 0.000 0.917 421 A HN 0.616 nan 8.150 nan 0.000 0.519 422 E N -0.539 119.629 120.200 -0.052 0.000 2.153 422 E HA -0.145 4.205 4.350 -0.000 0.000 0.194 422 E C 1.534 178.051 176.600 -0.138 0.000 0.988 422 E CA 1.484 57.845 56.400 -0.064 0.000 0.811 422 E CB -0.021 29.643 29.700 -0.060 0.000 0.746 422 E HN 0.476 nan 8.360 nan 0.000 0.466 423 V N 0.442 120.160 119.914 -0.327 0.000 2.515 423 V HA -0.219 3.901 4.120 -0.000 0.000 0.250 423 V C 1.748 177.644 176.094 -0.330 0.000 1.058 423 V CA 1.440 63.499 62.300 -0.402 0.000 1.064 423 V CB -0.603 30.860 31.823 -0.600 0.000 0.675 423 V HN 0.225 nan 8.190 nan 0.000 0.461 424 F N 1.440 121.382 119.950 -0.013 0.000 2.147 424 F HA -0.052 4.475 4.527 -0.000 0.000 0.291 424 F C 2.837 178.641 175.800 0.007 0.000 1.093 424 F CA 1.434 59.424 58.000 -0.017 0.000 1.263 424 F CB -1.718 37.239 39.000 -0.073 0.000 1.036 424 F HN 0.223 nan 8.300 nan 0.000 0.481 425 T N -2.667 111.992 114.554 0.175 0.000 2.857 425 T HA 0.176 4.526 4.350 -0.000 0.000 0.266 425 T C 2.053 176.805 174.700 0.087 0.000 1.048 425 T CA 1.053 63.224 62.100 0.119 0.000 1.139 425 T CB -0.870 68.036 68.868 0.062 0.000 0.874 425 T HN 0.541 nan 8.240 nan 0.000 0.455 426 G N 1.277 110.106 108.800 0.047 0.000 2.184 426 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 426 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 426 G C 0.060 174.976 174.900 0.026 0.000 0.975 426 G CA 0.344 45.462 45.100 0.030 0.000 0.642 426 G HN 0.668 nan 8.290 nan 0.000 0.536 427 I N 1.414 121.999 120.570 0.026 0.000 2.441 427 I HA 0.347 4.517 4.170 -0.000 0.000 0.295 427 I C -2.088 174.034 176.117 0.008 0.000 0.994 427 I CA -2.640 58.670 61.300 0.017 0.000 1.144 427 I CB 2.071 40.079 38.000 0.014 0.000 1.314 427 I HN -0.197 nan 8.210 nan 0.000 0.445 428 P HA 0.006 nan 4.420 nan 0.000 0.262 428 P C -0.074 177.233 177.300 0.011 0.000 1.182 428 P CA -0.004 63.098 63.100 0.003 0.000 0.761 428 P CB 0.345 32.045 31.700 0.001 0.000 0.795 429 G N 3.391 112.205 108.800 0.022 0.000 2.390 429 G HA2 0.301 4.261 3.960 -0.000 0.000 0.270 429 G HA3 0.301 4.261 3.960 -0.000 0.000 0.270 429 G C -0.446 174.481 174.900 0.044 0.000 1.211 429 G CA -0.500 44.630 45.100 0.051 0.000 0.842 429 G HN 0.260 nan 8.290 nan 0.000 0.519 430 K N 1.119 121.556 120.400 0.062 0.000 2.156 430 K HA 0.432 4.752 4.320 -0.000 0.000 0.254 430 K C -0.950 175.681 176.600 0.052 0.000 0.950 430 K CA -0.767 55.545 56.287 0.041 0.000 0.849 430 K CB 2.765 35.281 32.500 0.027 0.000 1.100 430 K HN 0.400 nan 8.250 nan 0.000 0.434 431 L N 1.941 123.175 121.223 0.019 0.000 2.325 431 L HA 0.382 4.722 4.340 -0.000 0.000 0.281 431 L C -1.272 175.599 176.870 0.003 0.000 1.004 431 L CA -0.787 54.056 54.840 0.004 0.000 0.823 431 L CB 1.492 43.540 42.059 -0.019 0.000 1.236 431 L HN 0.231 nan 8.230 nan 0.000 0.415 432 V N 5.115 125.031 119.914 0.004 0.000 2.417 432 V HA 0.522 4.642 4.120 -0.000 0.000 0.291 432 V C 0.287 176.375 176.094 -0.010 0.000 1.024 432 V CA -0.754 61.543 62.300 -0.004 0.000 0.861 432 V CB 1.442 33.259 31.823 -0.010 0.000 0.985 432 V HN 0.773 nan 8.190 nan 0.000 0.436 433 R N 2.289 122.783 120.500 -0.009 0.000 2.707 433 R HA 0.284 4.624 4.340 -0.000 0.000 0.270 433 R C 1.312 177.599 176.300 -0.023 0.000 1.083 433 R CA -0.508 55.585 56.100 -0.012 0.000 1.182 433 R CB 0.783 31.080 30.300 -0.006 0.000 1.084 433 R HN 0.712 nan 8.270 nan 0.000 0.528 434 L N 1.904 123.111 121.223 -0.028 0.000 2.017 434 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 434 L C 1.927 178.746 176.870 -0.085 0.000 1.073 434 L CA 1.799 56.603 54.840 -0.060 0.000 0.745 434 L CB -0.098 41.942 42.059 -0.033 0.000 0.894 434 L HN 0.536 nan 8.230 nan 0.000 0.432 435 K N -0.628 119.745 120.400 -0.044 0.000 2.211 435 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 435 K C 1.700 178.293 176.600 -0.012 0.000 1.050 435 K CA 1.154 57.422 56.287 -0.031 0.000 0.945 435 K CB -0.176 32.322 32.500 -0.003 0.000 0.732 435 K HN 0.402 nan 8.250 nan 0.000 0.451 436 D N 0.501 120.897 120.400 -0.006 0.000 2.117 436 D HA -0.108 4.532 4.640 -0.000 0.000 0.198 436 D C 1.522 177.837 176.300 0.026 0.000 0.982 436 D CA 1.348 55.353 54.000 0.010 0.000 0.828 436 D CB 0.068 40.871 40.800 0.004 0.000 0.967 436 D HN 0.004 nan 8.370 nan 0.000 0.464 437 T N -0.023 114.537 114.554 0.011 0.000 2.643 437 T HA -0.103 4.247 4.350 -0.000 0.000 0.264 437 T C 2.191 176.967 174.700 0.126 0.000 1.045 437 T CA 1.598 63.739 62.100 0.068 0.000 1.155 437 T CB -0.585 68.270 68.868 -0.021 0.000 0.863 437 T HN -0.024 nan 8.240 nan 0.000 0.420 438 V N 1.886 121.773 119.914 -0.045 0.000 2.324 438 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 438 V C 2.855 178.993 176.094 0.074 0.000 1.060 438 V CA 1.858 64.120 62.300 -0.062 0.000 1.042 438 V CB -1.250 30.443 31.823 -0.216 0.000 0.650 438 V HN 0.563 nan 8.190 nan 0.000 0.450 439 A N -0.696 122.164 122.820 0.067 0.000 1.897 439 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 439 A C 2.479 180.135 177.584 0.120 0.000 1.181 439 A CA 1.952 54.041 52.037 0.086 0.000 0.620 439 A CB -0.627 18.409 19.000 0.059 0.000 0.821 439 A HN 0.497 nan 8.150 nan 0.000 0.443 440 S N -0.686 115.094 115.700 0.133 0.000 2.356 440 S HA -0.118 4.352 4.470 -0.000 0.000 0.223 440 S C 1.556 176.258 174.600 0.171 0.000 1.032 440 S CA 1.592 59.872 58.200 0.134 0.000 1.005 440 S CB -0.507 62.779 63.200 0.143 0.000 0.867 440 S HN 0.554 nan 8.310 nan 0.000 0.449 441 F N 1.518 121.586 119.950 0.198 0.000 2.367 441 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 441 F C 2.203 178.082 175.800 0.132 0.000 1.094 441 F CA 0.666 58.786 58.000 0.200 0.000 1.409 441 F CB -0.154 38.904 39.000 0.097 0.000 1.064 441 F HN 0.074 nan 8.300 nan 0.000 0.528 442 K N 0.579 121.131 120.400 0.254 0.000 2.097 442 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 442 K C 2.201 178.894 176.600 0.154 0.000 1.049 442 K CA 1.179 57.569 56.287 0.171 0.000 0.933 442 K CB -0.177 32.402 32.500 0.132 0.000 0.717 442 K HN 0.191 nan 8.250 nan 0.000 0.442 443 A N 0.350 123.268 122.820 0.165 0.000 1.897 443 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 443 A C 2.180 179.903 177.584 0.232 0.000 1.181 443 A CA 1.235 53.396 52.037 0.207 0.000 0.620 443 A CB -0.510 18.651 19.000 0.267 0.000 0.821 443 A HN 0.139 nan 8.150 nan 0.000 0.443 444 V N 0.412 120.425 119.914 0.167 0.000 2.287 444 V HA -0.292 3.828 4.120 -0.000 0.000 0.248 444 V C 2.573 178.727 176.094 0.099 0.000 1.053 444 V CA 2.058 64.427 62.300 0.116 0.000 1.027 444 V CB -0.803 31.018 31.823 -0.003 0.000 0.646 444 V HN 0.568 nan 8.190 nan 0.000 0.447 445 L N -0.383 120.910 121.223 0.117 0.000 2.046 445 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 445 L C 2.516 179.428 176.870 0.070 0.000 1.077 445 L CA 1.680 56.575 54.840 0.090 0.000 0.747 445 L CB -0.630 41.493 42.059 0.106 0.000 0.896 445 L HN 0.406 nan 8.230 nan 0.000 0.432 446 E N -0.171 120.077 120.200 0.081 0.000 2.409 446 E HA -0.089 4.261 4.350 -0.000 0.000 0.198 446 E C 1.252 177.877 176.600 0.042 0.000 1.024 446 E CA 0.540 56.976 56.400 0.059 0.000 0.861 446 E CB -0.046 29.693 29.700 0.065 0.000 0.788 446 E HN 0.614 nan 8.360 nan 0.000 0.521 447 G N 1.459 110.290 108.800 0.052 0.000 2.132 447 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.228 447 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.228 447 G C 0.686 175.588 174.900 0.003 0.000 1.000 447 G CA 0.475 45.592 45.100 0.028 0.000 0.693 447 G HN 0.222 nan 8.290 nan 0.000 0.515 448 K N -1.219 119.187 120.400 0.010 0.000 2.217 448 K HA 0.086 4.406 4.320 -0.000 0.000 0.202 448 K C 0.965 177.350 176.600 -0.359 0.000 1.051 448 K CA 1.119 57.303 56.287 -0.171 0.000 0.952 448 K CB 0.057 32.444 32.500 -0.189 0.000 0.736 448 K HN 0.554 nan 8.250 nan 0.000 0.453 449 Y N 0.432 120.748 120.300 0.027 0.000 2.720 449 Y HA 0.094 4.644 4.550 -0.000 0.000 0.268 449 Y C 0.801 176.763 175.900 0.104 0.000 1.142 449 Y CA -0.592 57.546 58.100 0.065 0.000 1.193 449 Y CB 0.385 38.902 38.460 0.096 0.000 1.176 449 Y HN -0.025 nan 8.280 nan 0.000 0.542 450 D N 0.948 121.411 120.400 0.105 0.000 2.092 450 D HA -0.200 4.440 4.640 -0.000 0.000 0.193 450 D C 1.639 177.979 176.300 0.066 0.000 0.994 450 D CA 1.630 55.663 54.000 0.055 0.000 0.828 450 D CB -0.269 40.535 40.800 0.007 0.000 0.963 450 D HN 0.461 nan 8.370 nan 0.000 0.450 451 N N 0.916 119.639 118.700 0.038 0.000 2.626 451 N HA -0.115 4.625 4.740 -0.000 0.000 0.193 451 N C 0.329 175.870 175.510 0.052 0.000 1.213 451 N CA 0.241 53.306 53.050 0.025 0.000 0.914 451 N CB -0.271 38.211 38.487 -0.009 0.000 0.994 451 N HN 0.291 nan 8.380 nan 0.000 0.447 452 I N 0.867 121.504 120.570 0.111 0.000 2.412 452 I HA 0.291 4.461 4.170 -0.000 0.000 0.296 452 I C -2.023 174.190 176.117 0.159 0.000 0.987 452 I CA -2.514 58.858 61.300 0.121 0.000 1.180 452 I CB 1.500 39.572 38.000 0.120 0.000 1.340 452 I HN -0.263 nan 8.210 nan 0.000 0.455 453 P HA -0.054 nan 4.420 nan 0.000 0.266 453 P C 0.219 177.649 177.300 0.217 0.000 1.180 453 P CA 0.363 63.535 63.100 0.120 0.000 0.765 453 P CB 0.597 32.349 31.700 0.087 0.000 0.806 454 E N 0.792 121.110 120.200 0.197 0.000 2.072 454 E HA -0.221 4.129 4.350 -0.000 0.000 0.190 454 E C 1.719 178.492 176.600 0.288 0.000 0.982 454 E CA 0.664 57.208 56.400 0.239 0.000 0.803 454 E CB -0.315 29.444 29.700 0.099 0.000 0.755 454 E HN 0.600 nan 8.360 nan 0.000 0.453 455 H N 0.271 119.415 119.070 0.124 0.000 2.518 455 H HA -0.058 4.498 4.556 -0.000 0.000 0.292 455 H C 1.720 177.137 175.328 0.149 0.000 1.068 455 H CA 1.152 57.274 56.048 0.123 0.000 1.275 455 H CB 0.237 30.030 29.762 0.052 0.000 1.375 455 H HN 0.168 nan 8.280 nan 0.000 0.563 456 A N 0.177 123.062 122.820 0.109 0.000 1.969 456 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 456 A C 1.876 179.297 177.584 -0.273 0.000 1.169 456 A CA 0.864 52.831 52.037 -0.118 0.000 0.635 456 A CB -0.900 17.944 19.000 -0.261 0.000 0.810 456 A HN 0.350 nan 8.150 nan 0.000 0.445 457 F N -2.307 117.593 119.950 -0.084 0.000 2.811 457 F HA 0.153 4.680 4.527 -0.000 0.000 0.301 457 F C 0.724 176.574 175.800 0.084 0.000 1.151 457 F CA -0.033 57.908 58.000 -0.098 0.000 1.412 457 F CB -0.229 38.670 39.000 -0.169 0.000 1.113 457 F HN 0.299 nan 8.300 nan 0.000 0.579 458 Y N 0.861 121.166 120.300 0.009 0.000 2.316 458 Y HA 0.363 4.913 4.550 -0.000 0.000 0.331 458 Y C 0.743 176.593 175.900 -0.082 0.000 1.083 458 Y CA -1.925 56.137 58.100 -0.063 0.000 1.206 458 Y CB 0.602 38.916 38.460 -0.243 0.000 1.195 458 Y HN 0.117 nan 8.280 nan 0.000 0.497 459 M N 4.889 124.065 119.600 -0.707 0.000 2.206 459 M HA -0.168 4.312 4.480 -0.000 0.000 0.197 459 M C -1.616 174.538 176.300 -0.244 0.000 0.375 459 M CA 1.281 56.213 55.300 -0.613 0.000 0.410 459 M CB -1.527 30.518 32.600 -0.925 0.000 1.204 459 M HN 0.470 nan 8.290 nan 0.000 0.932 460 V N -3.231 116.615 119.914 -0.113 0.000 3.156 460 V HA 1.087 5.207 4.120 -0.000 0.000 0.311 460 V C 0.958 177.053 176.094 0.001 0.000 1.208 460 V CA -0.342 61.937 62.300 -0.035 0.000 1.063 460 V CB 1.251 33.069 31.823 -0.009 0.000 1.098 460 V HN 0.405 nan 8.190 nan 0.000 0.452 461 G N 0.053 108.860 108.800 0.011 0.000 3.078 461 G HA2 0.516 4.476 3.960 -0.000 0.000 0.163 461 G HA3 0.516 4.476 3.960 -0.000 0.000 0.163 461 G C 0.491 175.402 174.900 0.018 0.000 1.894 461 G CA 0.040 45.145 45.100 0.007 0.000 0.951 461 G HN 1.421 nan 8.290 nan 0.000 0.446 462 G N -1.408 107.409 108.800 0.028 0.000 2.531 462 G HA2 0.389 4.349 3.960 -0.000 0.000 0.313 462 G HA3 0.389 4.349 3.960 -0.000 0.000 0.313 462 G C 0.827 175.816 174.900 0.148 0.000 1.238 462 G CA -0.221 44.916 45.100 0.063 0.000 0.994 462 G HN 0.387 nan 8.290 nan 0.000 0.493 463 I N -0.644 120.030 120.570 0.173 0.000 2.300 463 I HA -0.203 3.967 4.170 -0.000 0.000 0.252 463 I C 2.433 178.429 176.117 -0.201 0.000 1.119 463 I CA 1.754 62.991 61.300 -0.105 0.000 1.384 463 I CB -0.008 37.843 38.000 -0.248 0.000 1.062 463 I HN 0.643 nan 8.210 nan 0.000 0.426 464 E N 0.413 120.559 120.200 -0.089 0.000 2.150 464 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 464 E C 1.728 178.281 176.600 -0.079 0.000 0.985 464 E CA 1.340 57.695 56.400 -0.075 0.000 0.814 464 E CB -0.225 29.457 29.700 -0.031 0.000 0.752 464 E HN 0.507 nan 8.360 nan 0.000 0.466 465 D N -0.866 119.496 120.400 -0.063 0.000 2.178 465 D HA -0.106 4.534 4.640 -0.000 0.000 0.202 465 D C 1.854 178.080 176.300 -0.123 0.000 0.974 465 D CA 0.790 54.752 54.000 -0.062 0.000 0.841 465 D CB -0.067 40.718 40.800 -0.024 0.000 0.953 465 D HN 0.083 nan 8.370 nan 0.000 0.478 466 V N 0.448 120.229 119.914 -0.220 0.000 2.261 466 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 466 V C 2.562 178.462 176.094 -0.323 0.000 1.047 466 V CA 1.212 63.261 62.300 -0.418 0.000 1.015 466 V CB -0.518 30.814 31.823 -0.817 0.000 0.642 466 V HN 0.084 nan 8.190 nan 0.000 0.446 467 V N 0.343 120.109 119.914 -0.247 0.000 2.490 467 V HA -0.228 3.892 4.120 -0.000 0.000 0.250 467 V C 2.565 178.613 176.094 -0.076 0.000 1.061 467 V CA 1.914 64.146 62.300 -0.113 0.000 1.064 467 V CB -1.220 30.586 31.823 -0.029 0.000 0.670 467 V HN 0.554 nan 8.190 nan 0.000 0.461 468 A N -0.446 122.328 122.820 -0.078 0.000 1.930 468 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 468 A C 2.350 179.909 177.584 -0.042 0.000 1.176 468 A CA 1.507 53.516 52.037 -0.046 0.000 0.632 468 A CB -0.330 18.648 19.000 -0.037 0.000 0.819 468 A HN 0.459 nan 8.150 nan 0.000 0.445 469 K N -0.179 120.184 120.400 -0.061 0.000 2.155 469 K HA 0.001 4.320 4.320 -0.000 0.000 0.203 469 K C 2.119 178.702 176.600 -0.029 0.000 1.052 469 K CA 0.949 57.215 56.287 -0.035 0.000 0.948 469 K CB -0.239 32.234 32.500 -0.045 0.000 0.728 469 K HN 0.362 nan 8.250 nan 0.000 0.448 470 A N 1.474 124.251 122.820 -0.071 0.000 1.902 470 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 470 A C 1.796 179.367 177.584 -0.022 0.000 1.181 470 A CA 1.597 53.601 52.037 -0.055 0.000 0.623 470 A CB -0.392 18.555 19.000 -0.089 0.000 0.818 470 A HN 0.414 nan 8.150 nan 0.000 0.443 471 E N -0.774 119.412 120.200 -0.022 0.000 2.152 471 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 471 E C 2.030 178.628 176.600 -0.005 0.000 0.983 471 E CA 1.171 57.564 56.400 -0.011 0.000 0.818 471 E CB -0.079 29.615 29.700 -0.011 0.000 0.758 471 E HN 0.496 nan 8.360 nan 0.000 0.467 472 K N 1.145 121.544 120.400 -0.002 0.000 2.103 472 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 472 K C 1.892 178.498 176.600 0.010 0.000 1.048 472 K CA 0.898 57.189 56.287 0.006 0.000 0.930 472 K CB -0.148 32.360 32.500 0.013 0.000 0.716 472 K HN 0.047 nan 8.250 nan 0.000 0.444 473 L N -0.412 120.819 121.223 0.014 0.000 2.093 473 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 473 L C 2.275 179.147 176.870 0.004 0.000 1.085 473 L CA 1.105 55.953 54.840 0.013 0.000 0.755 473 L CB -0.467 41.606 42.059 0.025 0.000 0.904 473 L HN 0.233 nan 8.230 nan 0.000 0.435 474 A N 0.125 122.946 122.820 0.002 0.000 2.076 474 A HA -0.011 4.309 4.320 -0.000 0.000 0.220 474 A C 1.542 179.126 177.584 -0.002 0.000 1.160 474 A CA 1.219 53.256 52.037 -0.001 0.000 0.653 474 A CB -0.636 18.362 19.000 -0.002 0.000 0.801 474 A HN 0.372 nan 8.150 nan 0.000 0.455 475 A N 0.000 122.820 122.820 -0.001 0.000 2.254 475 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 475 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 475 A CB 0.000 19.000 19.000 0.000 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486