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 3g2q_1_A DATA FIRST_RESID 8 DATA SEQUENCE GPVRTPHADV LLASVGERGV LCDFYDEGAA XXXXXXXXXA DGTSEAREFA DATA SEQUENCE TRTGXVSGPV LELAAGMGRL TFPFLDLGWE VTALELSTSV LAAFRKRLAE DATA SEQUENCE APADVRDRCT LVQGDMSAFA LDKRFGTVVI SSGSINELDE ADRRGLYASV DATA SEQUENCE REHLEPGGKF LLSLAMSEAA ESEPLERKQX XXXXXXXXXV LHVRHLPAEE DATA SEQUENCE IQEITIHPAD ETTDPFVVCT HRRRLLAPDQ VVRELVRSGF DVIAQTPFAS DATA SEQUENCE GGAGRKDMVL VEAVMPG 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 8 G HA2 0.000 nan 3.960 nan 0.000 0.244 8 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 8 G C 0.000 174.930 174.900 0.050 0.000 0.946 8 G CA 0.000 45.123 45.100 0.038 0.000 0.502 9 P HA 0.512 nan 4.420 nan 0.000 0.272 9 P C -0.295 177.045 177.300 0.067 0.000 1.240 9 P CA -0.524 62.622 63.100 0.077 0.000 0.791 9 P CB 0.929 32.678 31.700 0.083 0.000 0.978 10 V N 2.179 122.139 119.914 0.076 0.000 2.450 10 V HA 0.010 4.134 4.120 0.007 0.000 0.281 10 V C 1.163 177.290 176.094 0.055 0.000 1.019 10 V CA 0.219 62.552 62.300 0.055 0.000 1.062 10 V CB -0.505 31.346 31.823 0.047 0.000 0.979 10 V HN 0.423 nan 8.190 nan 0.000 0.477 11 R N 4.129 124.655 120.500 0.044 0.000 2.608 11 R HA 0.185 4.529 4.340 0.007 0.000 0.277 11 R C 0.651 176.976 176.300 0.042 0.000 1.341 11 R CA -0.222 55.904 56.100 0.043 0.000 1.199 11 R CB 0.202 30.523 30.300 0.035 0.000 1.156 11 R HN 0.935 nan 8.270 nan 0.000 0.558 12 T N 0.460 115.046 114.554 0.053 0.000 2.860 12 T HA 0.176 4.530 4.350 0.007 0.000 0.299 12 T C -1.700 173.037 174.700 0.061 0.000 1.045 12 T CA -1.516 60.618 62.100 0.056 0.000 1.071 12 T CB 1.210 70.118 68.868 0.067 0.000 0.985 12 T HN 0.200 nan 8.240 nan 0.000 0.537 13 P HA -0.157 nan 4.420 nan 0.000 0.215 13 P C 1.452 178.782 177.300 0.050 0.000 1.153 13 P CA 1.084 64.210 63.100 0.043 0.000 0.853 13 P CB -0.121 31.603 31.700 0.039 0.000 0.788 14 H N -0.112 118.961 119.070 0.005 0.000 2.395 14 H HA 0.061 4.621 4.556 0.006 0.000 0.299 14 H C 1.771 177.089 175.328 -0.017 0.000 1.070 14 H CA 1.646 57.692 56.048 -0.002 0.000 1.356 14 H CB -0.414 29.356 29.762 0.014 0.000 1.401 14 H HN -0.057 nan 8.280 nan 0.000 0.524 15 A N 0.988 123.923 122.820 0.192 0.000 1.902 15 A HA -0.174 4.150 4.320 0.007 0.000 0.217 15 A C 2.271 179.891 177.584 0.060 0.000 1.181 15 A CA 1.649 53.761 52.037 0.126 0.000 0.623 15 A CB -0.452 18.605 19.000 0.095 0.000 0.818 15 A HN 0.429 nan 8.150 nan 0.000 0.443 16 D N -0.238 120.182 120.400 0.034 0.000 2.106 16 D HA -0.140 4.504 4.640 0.007 0.000 0.191 16 D C 2.058 178.343 176.300 -0.025 0.000 0.997 16 D CA 1.911 55.914 54.000 0.006 0.000 0.834 16 D CB -0.231 40.569 40.800 0.001 0.000 0.956 16 D HN 0.248 nan 8.370 nan 0.000 0.448 17 V N 1.154 121.028 119.914 -0.067 0.000 2.548 17 V HA -0.143 3.981 4.120 0.007 0.000 0.249 17 V C 2.638 178.661 176.094 -0.118 0.000 1.055 17 V CA 0.676 62.910 62.300 -0.110 0.000 1.065 17 V CB -0.248 31.473 31.823 -0.171 0.000 0.681 17 V HN 0.180 nan 8.190 nan 0.000 0.462 18 L N -0.597 120.560 121.223 -0.111 0.000 2.017 18 L HA -0.174 4.171 4.340 0.007 0.000 0.208 18 L C 2.370 179.214 176.870 -0.043 0.000 1.073 18 L CA 1.677 56.472 54.840 -0.076 0.000 0.745 18 L CB -0.258 41.807 42.059 0.010 0.000 0.894 18 L HN 0.310 nan 8.230 nan 0.000 0.432 19 L N -1.017 120.209 121.223 0.004 0.000 2.141 19 L HA -0.173 4.171 4.340 0.007 0.000 0.209 19 L C 2.776 179.638 176.870 -0.012 0.000 1.094 19 L CA 0.964 55.816 54.840 0.021 0.000 0.763 19 L CB -0.728 41.355 42.059 0.041 0.000 0.908 19 L HN 0.248 nan 8.230 nan 0.000 0.437 20 A N -0.348 122.455 122.820 -0.028 0.000 1.873 20 A HA -0.218 4.107 4.320 0.007 0.000 0.215 20 A C 2.498 180.050 177.584 -0.053 0.000 1.186 20 A CA 1.877 53.893 52.037 -0.035 0.000 0.616 20 A CB -0.675 18.303 19.000 -0.037 0.000 0.823 20 A HN 0.393 nan 8.150 nan 0.000 0.442 21 S N -1.303 114.351 115.700 -0.076 0.000 2.555 21 S HA 0.009 4.483 4.470 0.007 0.000 0.230 21 S C 1.397 175.921 174.600 -0.126 0.000 0.978 21 S CA 1.298 59.439 58.200 -0.099 0.000 0.934 21 S CB -0.052 63.078 63.200 -0.117 0.000 0.766 21 S HN 0.372 nan 8.310 nan 0.000 0.533 22 V N -0.622 119.218 119.914 -0.124 0.000 3.612 22 V HA 0.388 4.513 4.120 0.007 0.000 0.268 22 V C 1.671 177.719 176.094 -0.077 0.000 1.365 22 V CA 1.069 63.275 62.300 -0.156 0.000 1.044 22 V CB -0.094 31.584 31.823 -0.241 0.000 0.820 22 V HN 0.705 nan 8.190 nan 0.000 0.444 23 G N 0.410 109.183 108.800 -0.045 0.000 5.229 23 G HA2 -0.450 3.514 3.960 0.007 0.000 0.250 23 G HA3 -0.450 3.514 3.960 0.007 0.000 0.250 23 G C 0.811 175.708 174.900 -0.004 0.000 1.380 23 G CA 1.311 46.397 45.100 -0.023 0.000 0.933 23 G HN 1.105 nan 8.290 nan 0.000 0.731 24 E N -0.658 119.543 120.200 0.002 0.000 2.576 24 E HA 0.336 4.691 4.350 0.007 0.000 0.214 24 E C 1.908 178.530 176.600 0.037 0.000 0.859 24 E CA 0.985 57.396 56.400 0.018 0.000 1.399 24 E CB -0.230 29.477 29.700 0.012 0.000 1.374 24 E HN 0.663 nan 8.360 nan 0.000 0.718 25 R N 0.550 121.075 120.500 0.041 0.000 2.241 25 R HA 0.064 4.409 4.340 0.007 0.000 0.224 25 R C 1.399 177.786 176.300 0.146 0.000 1.101 25 R CA 0.634 56.784 56.100 0.083 0.000 0.995 25 R CB 0.019 30.368 30.300 0.082 0.000 0.870 25 R HN 0.293 nan 8.270 nan 0.000 0.463 26 G N 0.640 109.519 108.800 0.132 0.000 2.353 26 G HA2 0.422 4.387 3.960 0.007 0.000 0.284 26 G HA3 0.422 4.387 3.960 0.007 0.000 0.284 26 G C -0.753 174.222 174.900 0.124 0.000 1.172 26 G CA -0.345 44.869 45.100 0.189 0.000 0.854 26 G HN -0.072 nan 8.290 nan 0.000 0.485 27 V N 3.401 123.387 119.914 0.120 0.000 2.588 27 V HA 0.361 4.486 4.120 0.007 0.000 0.304 27 V C -0.398 175.735 176.094 0.066 0.000 1.042 27 V CA -0.902 61.442 62.300 0.072 0.000 0.877 27 V CB 1.709 33.562 31.823 0.049 0.000 0.996 27 V HN 0.718 nan 8.190 nan 0.000 0.425 28 L N 5.389 126.647 121.223 0.059 0.000 2.260 28 L HA 0.671 5.015 4.340 0.007 0.000 0.289 28 L C -0.392 176.510 176.870 0.053 0.000 1.057 28 L CA 0.586 55.461 54.840 0.058 0.000 0.811 28 L CB 0.505 42.599 42.059 0.059 0.000 1.184 28 L HN 0.812 nan 8.230 nan 0.000 0.429 29 C N 3.333 122.667 119.300 0.056 0.000 2.779 29 C HA 0.450 4.915 4.460 0.007 0.000 0.314 29 C C -0.260 174.787 174.990 0.094 0.000 1.231 29 C CA -1.028 58.026 59.018 0.061 0.000 1.652 29 C CB 1.938 29.703 27.740 0.041 0.000 2.198 29 C HN 0.798 nan 8.230 nan 0.000 0.483 30 D N 0.200 120.665 120.400 0.108 0.000 2.302 30 D HA 0.089 4.734 4.640 0.007 0.000 0.248 30 D C 0.480 176.873 176.300 0.155 0.000 1.094 30 D CA -0.210 53.894 54.000 0.174 0.000 0.897 30 D CB 0.659 41.578 40.800 0.199 0.000 1.200 30 D HN 0.505 nan 8.370 nan 0.000 0.429 31 F N 3.400 123.342 119.950 -0.013 0.000 2.202 31 F HA -0.166 4.366 4.527 0.008 0.000 0.301 31 F C 0.730 176.292 175.800 -0.396 0.000 1.082 31 F CA 1.093 58.961 58.000 -0.220 0.000 1.313 31 F CB -0.269 38.557 39.000 -0.290 0.000 1.024 31 F HN 0.421 nan 8.300 nan 0.000 0.495 32 Y N 0.728 120.894 120.300 -0.225 0.000 2.882 32 Y HA 0.182 4.736 4.550 0.006 0.000 0.361 32 Y C 0.417 176.219 175.900 -0.164 0.000 1.058 32 Y CA -0.328 57.598 58.100 -0.290 0.000 1.575 32 Y CB -0.768 37.513 38.460 -0.298 0.000 1.383 32 Y HN 0.193 nan 8.280 nan 0.000 0.515 33 D N -2.142 118.206 120.400 -0.087 0.000 3.849 33 D HA 0.047 4.691 4.640 0.007 0.000 0.211 33 D C -0.412 175.827 176.300 -0.101 0.000 1.481 33 D CA -0.630 53.336 54.000 -0.056 0.000 1.143 33 D CB -0.341 40.459 40.800 -0.001 0.000 1.306 33 D HN 0.073 nan 8.370 nan 0.000 0.569 34 E N 0.091 120.253 120.200 -0.062 0.000 2.672 34 E HA 0.407 4.762 4.350 0.007 0.000 0.234 34 E C -0.045 176.497 176.600 -0.097 0.000 1.162 34 E CA 0.389 56.750 56.400 -0.065 0.000 0.952 34 E CB -0.481 29.199 29.700 -0.035 0.000 0.987 34 E HN 0.459 nan 8.360 nan 0.000 0.507 35 G N 2.028 110.746 108.800 -0.136 0.000 3.749 35 G HA2 0.382 4.347 3.960 0.007 0.000 0.339 35 G HA3 0.382 4.347 3.960 0.007 0.000 0.339 35 G C 0.705 175.513 174.900 -0.153 0.000 1.513 35 G CA -0.308 44.674 45.100 -0.196 0.000 1.035 35 G HN 0.508 nan 8.290 nan 0.000 0.480 36 A N 0.616 123.377 122.820 -0.098 0.000 2.234 36 A HA 0.490 4.814 4.320 0.007 0.000 0.216 36 A C 1.655 179.197 177.584 -0.071 0.000 1.167 36 A CA 1.580 53.572 52.037 -0.075 0.000 0.698 36 A CB 0.024 18.992 19.000 -0.052 0.000 0.779 36 A HN 1.175 nan 8.150 nan 0.000 0.475 48 D N 1.409 121.788 120.400 -0.034 0.000 2.855 48 D HA 0.580 5.224 4.640 0.007 0.000 0.241 48 D C 0.364 176.648 176.300 -0.027 0.000 1.277 48 D CA 0.594 54.569 54.000 -0.041 0.000 0.918 48 D CB 1.591 42.368 40.800 -0.038 0.000 1.462 48 D HN 0.816 nan 8.370 nan 0.000 0.559 49 G N 1.930 110.702 108.800 -0.047 0.000 4.803 49 G HA2 0.097 4.061 3.960 0.007 0.000 0.266 49 G HA3 0.097 4.061 3.960 0.007 0.000 0.266 49 G C 0.965 175.822 174.900 -0.071 0.000 1.111 49 G CA -0.023 45.057 45.100 -0.033 0.000 0.874 49 G HN 0.521 nan 8.290 nan 0.000 0.555 50 T N -1.789 112.724 114.554 -0.069 0.000 3.007 50 T HA -0.133 4.222 4.350 0.007 0.000 0.270 50 T C 2.460 177.130 174.700 -0.051 0.000 1.107 50 T CA 1.785 63.837 62.100 -0.081 0.000 1.118 50 T CB -0.067 68.762 68.868 -0.065 0.000 0.889 50 T HN 0.338 nan 8.240 nan 0.000 0.506 51 S N 1.049 116.738 115.700 -0.018 0.000 2.404 51 S HA 0.084 4.558 4.470 0.007 0.000 0.223 51 S C 2.022 176.611 174.600 -0.018 0.000 1.040 51 S CA 0.435 58.632 58.200 -0.006 0.000 0.957 51 S CB -0.359 62.857 63.200 0.027 0.000 0.826 51 S HN 0.603 nan 8.310 nan 0.000 0.491 52 E N 2.016 122.247 120.200 0.052 0.000 2.051 52 E HA -0.115 4.239 4.350 0.007 0.000 0.192 52 E C 2.188 178.890 176.600 0.169 0.000 0.991 52 E CA 1.056 57.515 56.400 0.099 0.000 0.799 52 E CB -0.464 29.396 29.700 0.267 0.000 0.748 52 E HN 0.607 nan 8.360 nan 0.000 0.449 53 A N 1.299 124.182 122.820 0.104 0.000 1.948 53 A HA -0.242 4.083 4.320 0.007 0.000 0.220 53 A C 2.178 179.895 177.584 0.221 0.000 1.177 53 A CA 1.794 53.899 52.037 0.114 0.000 0.636 53 A CB -0.593 18.191 19.000 -0.359 0.000 0.815 53 A HN 0.233 nan 8.150 nan 0.000 0.449 54 R N -0.590 119.938 120.500 0.046 0.000 2.090 54 R HA -0.102 4.242 4.340 0.007 0.000 0.228 54 R C 1.922 178.209 176.300 -0.022 0.000 1.110 54 R CA 1.273 57.380 56.100 0.013 0.000 0.973 54 R CB -0.135 30.148 30.300 -0.030 0.000 0.869 54 R HN 0.491 nan 8.270 nan 0.000 0.440 55 E N 0.059 120.158 120.200 -0.168 0.000 2.085 55 E HA -0.211 4.143 4.350 0.007 0.000 0.194 55 E C 1.841 178.304 176.600 -0.227 0.000 0.994 55 E CA 1.298 57.463 56.400 -0.392 0.000 0.801 55 E CB -0.327 28.732 29.700 -1.068 0.000 0.743 55 E HN 0.316 nan 8.360 nan 0.000 0.453 56 F N 1.296 121.244 119.950 -0.003 0.000 2.069 56 F HA -0.192 4.340 4.527 0.007 0.000 0.298 56 F C 2.607 178.534 175.800 0.212 0.000 1.113 56 F CA 1.265 59.350 58.000 0.142 0.000 1.214 56 F CB -0.901 38.285 39.000 0.310 0.000 0.978 56 F HN 0.003 nan 8.300 nan 0.000 0.474 57 A N -0.591 122.496 122.820 0.445 0.000 1.892 57 A HA -0.245 4.079 4.320 0.007 0.000 0.218 57 A C 2.206 179.947 177.584 0.261 0.000 1.188 57 A CA 2.489 54.786 52.037 0.434 0.000 0.631 57 A CB -1.473 17.655 19.000 0.214 0.000 0.822 57 A HN 0.374 nan 8.150 nan 0.000 0.447 58 T N -0.528 114.104 114.554 0.130 0.000 2.897 58 T HA -0.093 4.261 4.350 0.007 0.000 0.271 58 T C 1.599 176.328 174.700 0.047 0.000 1.084 58 T CA 1.421 63.557 62.100 0.059 0.000 1.123 58 T CB -0.206 68.656 68.868 -0.009 0.000 0.865 58 T HN 0.512 nan 8.240 nan 0.000 0.496 59 R N 0.417 120.951 120.500 0.057 0.000 2.397 59 R HA 0.163 4.507 4.340 0.007 0.000 0.241 59 R C 2.039 178.375 176.300 0.060 0.000 0.914 59 R CA 0.547 56.666 56.100 0.032 0.000 1.071 59 R CB 0.284 30.570 30.300 -0.023 0.000 1.116 59 R HN 0.478 nan 8.270 nan 0.000 0.524 60 T N -2.504 112.109 114.554 0.098 0.000 3.348 60 T HA 0.314 4.668 4.350 0.007 0.000 0.233 60 T C 1.178 175.897 174.700 0.032 0.000 0.960 60 T CA 0.548 62.673 62.100 0.042 0.000 1.343 60 T CB -0.137 68.720 68.868 -0.018 0.000 1.068 60 T HN 0.279 nan 8.240 nan 0.000 0.410 64 S N 1.774 117.391 115.700 -0.139 0.000 2.335 64 S HA 0.274 4.748 4.470 0.007 0.000 0.217 64 S C 0.770 175.318 174.600 -0.087 0.000 1.032 64 S CA 1.801 59.949 58.200 -0.086 0.000 0.985 64 S CB 0.076 63.236 63.200 -0.067 0.000 0.896 64 S HN 1.557 nan 8.310 nan 0.000 0.445 65 G N -0.091 108.642 108.800 -0.112 0.000 3.003 65 G HA2 0.557 4.521 3.960 0.007 0.000 0.243 65 G HA3 0.557 4.521 3.960 0.007 0.000 0.243 65 G C -3.072 171.775 174.900 -0.088 0.000 1.176 65 G CA -0.907 44.144 45.100 -0.082 0.000 0.812 65 G HN 0.215 nan 8.290 nan 0.000 0.584 66 P HA 0.284 nan 4.420 nan 0.000 0.263 66 P C -0.566 176.835 177.300 0.169 0.000 1.175 66 P CA 0.032 63.195 63.100 0.106 0.000 0.761 66 P CB 0.924 32.703 31.700 0.132 0.000 0.794 67 V N 4.591 124.555 119.914 0.084 0.000 2.495 67 V HA 0.252 4.376 4.120 0.007 0.000 0.298 67 V C 0.005 175.976 176.094 -0.204 0.000 1.031 67 V CA -0.759 61.492 62.300 -0.081 0.000 0.871 67 V CB 1.643 33.327 31.823 -0.231 0.000 0.988 67 V HN 0.343 nan 8.190 nan 0.000 0.432 68 L N 4.717 125.618 121.223 -0.536 0.000 2.260 68 L HA 0.489 4.833 4.340 0.007 0.000 0.289 68 L C 0.050 176.692 176.870 -0.380 0.000 1.057 68 L CA 0.437 54.799 54.840 -0.797 0.000 0.811 68 L CB 0.842 42.109 42.059 -1.321 0.000 1.184 68 L HN 0.803 nan 8.230 nan 0.000 0.429 69 E N 5.558 125.597 120.200 -0.267 0.000 2.133 69 E HA 0.390 4.745 4.350 0.007 0.000 0.274 69 E C -1.423 175.068 176.600 -0.182 0.000 0.930 69 E CA -0.639 55.676 56.400 -0.142 0.000 0.770 69 E CB 0.927 30.637 29.700 0.016 0.000 1.104 69 E HN 0.678 nan 8.360 nan 0.000 0.403 70 L N 3.128 124.254 121.223 -0.161 0.000 2.325 70 L HA 0.487 4.832 4.340 0.007 0.000 0.279 70 L C 0.517 177.326 176.870 -0.100 0.000 1.054 70 L CA -0.550 54.167 54.840 -0.205 0.000 0.804 70 L CB 1.492 43.429 42.059 -0.203 0.000 1.200 70 L HN 0.850 nan 8.230 nan 0.000 0.436 71 A N 2.350 125.104 122.820 -0.111 0.000 2.519 71 A HA -0.197 4.127 4.320 0.007 0.000 0.297 71 A C 1.369 178.953 177.584 -0.000 0.000 1.472 71 A CA 0.738 52.748 52.037 -0.046 0.000 0.739 71 A CB -1.495 17.491 19.000 -0.023 0.000 1.096 71 A HN 1.025 nan 8.150 nan 0.000 0.414 72 A N -0.314 122.517 122.820 0.019 0.000 2.121 72 A HA 0.426 4.750 4.320 0.007 0.000 0.218 72 A C 2.660 180.325 177.584 0.136 0.000 1.154 72 A CA 1.877 53.975 52.037 0.101 0.000 0.679 72 A CB -0.839 18.265 19.000 0.174 0.000 0.795 72 A HN 2.950 nan 8.150 nan 0.000 0.458 73 G N -0.624 108.245 108.800 0.116 0.000 2.583 73 G HA2 -0.358 3.606 3.960 0.007 0.000 0.292 73 G HA3 -0.358 3.606 3.960 0.007 0.000 0.292 73 G C 0.633 175.612 174.900 0.131 0.000 1.203 73 G CA 0.582 45.734 45.100 0.087 0.000 0.987 73 G HN 0.511 nan 8.290 nan 0.000 0.554 74 M N 1.872 121.449 119.600 -0.038 0.000 2.475 74 M HA 0.410 4.894 4.480 0.007 0.000 0.261 74 M C 1.576 177.469 176.300 -0.678 0.000 1.177 74 M CA 1.073 56.225 55.300 -0.245 0.000 0.979 74 M CB 0.485 33.003 32.600 -0.136 0.000 1.482 74 M HN 2.096 nan 8.290 nan 0.000 0.484 75 G N 1.283 109.765 108.800 -0.531 0.000 2.131 75 G HA2 -0.251 3.713 3.960 0.007 0.000 0.223 75 G HA3 -0.251 3.713 3.960 0.007 0.000 0.223 75 G C 0.815 175.655 174.900 -0.099 0.000 0.990 75 G CA 0.415 45.248 45.100 -0.445 0.000 0.671 75 G HN 0.515 nan 8.290 nan 0.000 0.521 76 R N -0.325 120.106 120.500 -0.115 0.000 2.133 76 R HA -0.008 4.336 4.340 0.007 0.000 0.247 76 R C 2.101 178.301 176.300 -0.166 0.000 1.151 76 R CA 2.001 58.040 56.100 -0.101 0.000 0.971 76 R CB -0.204 30.052 30.300 -0.074 0.000 0.866 76 R HN 0.552 nan 8.270 nan 0.000 0.447 77 L N -1.321 119.754 121.223 -0.246 0.000 2.425 77 L HA 0.061 4.406 4.340 0.007 0.000 0.215 77 L C 2.080 178.490 176.870 -0.767 0.000 1.065 77 L CA 0.562 55.062 54.840 -0.567 0.000 0.842 77 L CB -0.017 41.690 42.059 -0.587 0.000 1.033 77 L HN 0.199 nan 8.230 nan 0.000 0.474 78 T N 0.308 114.670 114.554 -0.320 0.000 2.708 78 T HA -0.152 4.202 4.350 0.007 0.000 0.266 78 T C 1.663 176.246 174.700 -0.194 0.000 1.037 78 T CA 1.542 63.566 62.100 -0.127 0.000 1.146 78 T CB -0.349 68.542 68.868 0.039 0.000 0.865 78 T HN 0.042 nan 8.240 nan 0.000 0.435 79 F N 1.539 121.416 119.950 -0.121 0.000 2.075 79 F HA 0.025 4.556 4.527 0.007 0.000 0.297 79 F C -0.457 175.262 175.800 -0.135 0.000 1.113 79 F CA 0.789 58.733 58.000 -0.093 0.000 1.218 79 F CB -1.820 37.105 39.000 -0.125 0.000 0.984 79 F HN 0.163 nan 8.300 nan 0.000 0.472 80 P HA -0.214 nan 4.420 nan 0.000 0.216 80 P C 1.644 178.813 177.300 -0.218 0.000 1.154 80 P CA 1.641 64.626 63.100 -0.192 0.000 0.865 80 P CB -0.242 31.263 31.700 -0.325 0.000 0.789 81 F N -1.190 118.591 119.950 -0.281 0.000 2.134 81 F HA -0.107 4.424 4.527 0.007 0.000 0.299 81 F C 2.330 177.946 175.800 -0.308 0.000 1.097 81 F CA 0.728 58.423 58.000 -0.509 0.000 1.264 81 F CB -1.795 37.039 39.000 -0.277 0.000 1.001 81 F HN -0.159 nan 8.300 nan 0.000 0.479 82 L N -0.292 120.974 121.223 0.072 0.000 2.079 82 L HA -0.231 4.113 4.340 0.007 0.000 0.210 82 L C 1.824 178.727 176.870 0.055 0.000 1.081 82 L CA 1.285 56.172 54.840 0.078 0.000 0.752 82 L CB -0.658 41.423 42.059 0.038 0.000 0.896 82 L HN 0.040 nan 8.230 nan 0.000 0.433 83 D N -0.117 120.294 120.400 0.018 0.000 2.378 83 D HA -0.058 4.586 4.640 0.007 0.000 0.222 83 D C 1.893 178.181 176.300 -0.019 0.000 0.980 83 D CA 0.902 54.908 54.000 0.011 0.000 0.907 83 D CB 0.143 40.942 40.800 -0.002 0.000 0.899 83 D HN 0.362 nan 8.370 nan 0.000 0.527 84 L N -1.103 120.070 121.223 -0.083 0.000 2.607 84 L HA 0.251 4.595 4.340 0.007 0.000 0.228 84 L C 1.579 178.506 176.870 0.095 0.000 1.123 84 L CA 0.229 55.016 54.840 -0.088 0.000 0.890 84 L CB 0.260 42.091 42.059 -0.379 0.000 1.103 84 L HN 0.071 nan 8.230 nan 0.000 0.468 85 G N -1.435 107.446 108.800 0.134 0.000 2.195 85 G HA2 -0.253 3.711 3.960 0.007 0.000 0.246 85 G HA3 -0.253 3.711 3.960 0.007 0.000 0.246 85 G C -0.137 174.955 174.900 0.319 0.000 0.984 85 G CA -0.513 44.709 45.100 0.204 0.000 0.633 85 G HN 0.161 nan 8.290 nan 0.000 0.525 86 W N 2.278 123.607 121.300 0.048 0.000 2.295 86 W HA 0.473 5.138 4.660 0.007 0.000 0.335 86 W C 0.780 177.317 176.519 0.030 0.000 1.351 86 W CA -0.566 56.795 57.345 0.028 0.000 1.273 86 W CB 0.059 29.524 29.460 0.008 0.000 1.214 86 W HN 0.256 nan 8.180 nan 0.000 0.563 87 E N 1.760 122.081 120.200 0.201 0.000 2.180 87 E HA 0.275 4.629 4.350 0.007 0.000 0.283 87 E C -0.702 175.984 176.600 0.145 0.000 1.061 87 E CA -0.349 56.132 56.400 0.136 0.000 0.861 87 E CB 0.904 30.654 29.700 0.083 0.000 1.056 87 E HN 0.036 nan 8.360 nan 0.000 0.407 88 V N 3.593 123.586 119.914 0.132 0.000 2.448 88 V HA 0.185 4.309 4.120 0.007 0.000 0.295 88 V C 0.126 176.242 176.094 0.037 0.000 1.025 88 V CA -0.770 61.590 62.300 0.101 0.000 0.859 88 V CB 1.928 33.836 31.823 0.141 0.000 0.988 88 V HN 0.639 nan 8.190 nan 0.000 0.431 89 T N 4.770 119.332 114.554 0.013 0.000 2.728 89 T HA 0.570 4.924 4.350 0.007 0.000 0.296 89 T C 0.207 174.813 174.700 -0.156 0.000 0.940 89 T CA -0.092 61.978 62.100 -0.049 0.000 1.013 89 T CB 1.023 69.916 68.868 0.042 0.000 0.912 89 T HN 0.886 nan 8.240 nan 0.000 0.484 90 A N 4.485 127.199 122.820 -0.177 0.000 2.258 90 A HA 0.693 5.017 4.320 0.007 0.000 0.316 90 A C -0.381 177.072 177.584 -0.218 0.000 1.279 90 A CA -0.691 51.231 52.037 -0.191 0.000 0.876 90 A CB 0.337 19.196 19.000 -0.235 0.000 1.170 90 A HN 0.878 nan 8.150 nan 0.000 0.520 91 L N 2.240 123.333 121.223 -0.217 0.000 2.307 91 L HA 0.830 5.174 4.340 0.007 0.000 0.284 91 L C -0.407 176.365 176.870 -0.162 0.000 1.023 91 L CA -0.274 54.428 54.840 -0.230 0.000 0.810 91 L CB 1.464 43.295 42.059 -0.381 0.000 1.231 91 L HN 0.800 nan 8.230 nan 0.000 0.423 92 E N 3.404 123.534 120.200 -0.117 0.000 2.366 92 E HA 0.229 4.583 4.350 0.007 0.000 0.278 92 E C -0.855 175.716 176.600 -0.049 0.000 0.923 92 E CA -0.655 55.709 56.400 -0.059 0.000 0.761 92 E CB 1.769 31.471 29.700 0.003 0.000 1.231 92 E HN 0.504 nan 8.360 nan 0.000 0.443 93 L N 2.346 123.550 121.223 -0.032 0.000 2.168 93 L HA 0.371 4.715 4.340 0.007 0.000 0.203 93 L C 0.643 177.509 176.870 -0.007 0.000 1.078 93 L CA 1.295 56.123 54.840 -0.020 0.000 0.780 93 L CB -0.149 41.900 42.059 -0.017 0.000 0.939 93 L HN 0.492 nan 8.230 nan 0.000 0.451 94 S N -1.266 114.435 115.700 0.001 0.000 2.505 94 S HA 0.120 4.595 4.470 0.007 0.000 0.276 94 S C 1.480 176.089 174.600 0.014 0.000 1.274 94 S CA 0.183 58.387 58.200 0.008 0.000 1.053 94 S CB 0.645 63.851 63.200 0.010 0.000 0.919 94 S HN 0.562 nan 8.310 nan 0.000 0.490 95 T N 2.230 116.791 114.554 0.012 0.000 2.821 95 T HA -0.134 4.220 4.350 0.007 0.000 0.267 95 T C 2.025 176.739 174.700 0.023 0.000 1.046 95 T CA 1.481 63.589 62.100 0.014 0.000 1.139 95 T CB -1.001 67.873 68.868 0.010 0.000 0.871 95 T HN 0.777 nan 8.240 nan 0.000 0.454 96 S N 1.393 117.106 115.700 0.022 0.000 2.383 96 S HA -0.053 4.421 4.470 0.007 0.000 0.227 96 S C 2.085 176.709 174.600 0.040 0.000 1.026 96 S CA 0.980 59.195 58.200 0.025 0.000 0.981 96 S CB -1.096 62.113 63.200 0.016 0.000 0.818 96 S HN 0.379 nan 8.310 nan 0.000 0.472 97 V N 2.237 122.178 119.914 0.044 0.000 2.343 97 V HA -0.098 4.026 4.120 0.007 0.000 0.247 97 V C 2.552 178.721 176.094 0.125 0.000 1.051 97 V CA 1.663 64.005 62.300 0.070 0.000 1.036 97 V CB -0.887 30.972 31.823 0.060 0.000 0.654 97 V HN 0.441 nan 8.190 nan 0.000 0.451 98 L N -0.026 121.258 121.223 0.100 0.000 2.083 98 L HA -0.171 4.173 4.340 0.007 0.000 0.209 98 L C 2.720 179.658 176.870 0.113 0.000 1.083 98 L CA 1.468 56.369 54.840 0.102 0.000 0.752 98 L CB -0.740 41.334 42.059 0.024 0.000 0.899 98 L HN 0.371 nan 8.230 nan 0.000 0.433 99 A N 0.060 122.928 122.820 0.080 0.000 1.865 99 A HA -0.222 4.102 4.320 0.007 0.000 0.217 99 A C 2.521 180.164 177.584 0.100 0.000 1.191 99 A CA 1.895 53.975 52.037 0.072 0.000 0.623 99 A CB -0.811 18.216 19.000 0.045 0.000 0.826 99 A HN 0.407 nan 8.150 nan 0.000 0.444 100 A N -1.627 121.252 122.820 0.098 0.000 1.933 100 A HA -0.057 4.267 4.320 0.007 0.000 0.218 100 A C 2.112 179.787 177.584 0.152 0.000 1.175 100 A CA 1.415 53.504 52.037 0.087 0.000 0.628 100 A CB -0.694 18.333 19.000 0.045 0.000 0.814 100 A HN 0.620 nan 8.150 nan 0.000 0.444 101 F N -0.192 119.794 119.950 0.060 0.000 2.102 101 F HA -0.188 4.343 4.527 0.007 0.000 0.298 101 F C 2.566 178.440 175.800 0.123 0.000 1.105 101 F CA 1.659 59.727 58.000 0.114 0.000 1.239 101 F CB -0.028 39.015 39.000 0.072 0.000 0.991 101 F HN 0.148 nan 8.300 nan 0.000 0.474 102 R N 0.598 121.308 120.500 0.349 0.000 2.105 102 R HA -0.188 4.156 4.340 0.007 0.000 0.239 102 R C 2.166 178.575 176.300 0.182 0.000 1.135 102 R CA 1.722 57.944 56.100 0.204 0.000 0.967 102 R CB -0.121 30.237 30.300 0.097 0.000 0.861 102 R HN 0.232 nan 8.270 nan 0.000 0.442 103 K N -0.325 120.162 120.400 0.145 0.000 1.991 103 K HA -0.159 4.165 4.320 0.007 0.000 0.212 103 K C 2.199 178.852 176.600 0.089 0.000 1.049 103 K CA 1.678 58.019 56.287 0.089 0.000 0.932 103 K CB -0.134 32.396 32.500 0.050 0.000 0.717 103 K HN 0.137 nan 8.250 nan 0.000 0.441 104 R N 0.530 121.085 120.500 0.092 0.000 2.103 104 R HA -0.162 4.182 4.340 0.007 0.000 0.242 104 R C 2.318 178.705 176.300 0.145 0.000 1.142 104 R CA 1.211 57.312 56.100 0.002 0.000 0.960 104 R CB -0.447 29.764 30.300 -0.148 0.000 0.858 104 R HN 0.113 nan 8.270 nan 0.000 0.439 105 L N 0.438 121.915 121.223 0.423 0.000 2.275 105 L HA -0.043 4.301 4.340 0.007 0.000 0.215 105 L C 2.067 179.074 176.870 0.229 0.000 1.119 105 L CA 1.521 56.638 54.840 0.462 0.000 0.790 105 L CB -0.341 41.981 42.059 0.439 0.000 0.919 105 L HN 0.110 nan 8.230 nan 0.000 0.443 106 A N -1.278 121.633 122.820 0.152 0.000 2.016 106 A HA -0.082 4.242 4.320 0.007 0.000 0.217 106 A C 1.938 179.561 177.584 0.065 0.000 1.162 106 A CA 0.971 53.062 52.037 0.092 0.000 0.662 106 A CB -0.364 18.677 19.000 0.068 0.000 0.812 106 A HN 0.533 nan 8.150 nan 0.000 0.450 107 E N -0.172 120.058 120.200 0.050 0.000 2.403 107 E HA 0.372 4.726 4.350 0.007 0.000 0.187 107 E C 0.175 176.785 176.600 0.016 0.000 1.073 107 E CA -0.029 56.379 56.400 0.014 0.000 0.888 107 E CB 0.188 29.874 29.700 -0.023 0.000 1.035 107 E HN 0.559 nan 8.360 nan 0.000 0.471 108 A N 1.756 124.615 122.820 0.065 0.000 2.340 108 A HA 0.542 4.866 4.320 0.007 0.000 0.331 108 A C -2.512 175.120 177.584 0.080 0.000 1.140 108 A CA -1.782 50.308 52.037 0.088 0.000 0.801 108 A CB 0.537 19.663 19.000 0.210 0.000 1.234 108 A HN -0.099 nan 8.150 nan 0.000 0.469 109 P HA 0.144 nan 4.420 nan 0.000 0.265 109 P C 0.762 178.102 177.300 0.067 0.000 1.187 109 P CA 0.594 63.728 63.100 0.057 0.000 0.766 109 P CB 0.703 32.434 31.700 0.051 0.000 0.820 110 A N 3.230 126.081 122.820 0.052 0.000 2.225 110 A HA -0.174 4.150 4.320 0.007 0.000 0.215 110 A C 1.560 179.175 177.584 0.052 0.000 1.164 110 A CA 1.553 53.620 52.037 0.051 0.000 0.710 110 A CB -0.831 18.192 19.000 0.038 0.000 0.780 110 A HN 0.665 nan 8.150 nan 0.000 0.473 111 D N -0.445 119.988 120.400 0.055 0.000 2.216 111 D HA -0.058 4.586 4.640 0.007 0.000 0.208 111 D C 1.759 178.101 176.300 0.070 0.000 0.960 111 D CA 1.132 55.166 54.000 0.057 0.000 0.861 111 D CB -0.613 40.219 40.800 0.052 0.000 0.985 111 D HN 0.252 nan 8.370 nan 0.000 0.493 112 V N 1.319 121.285 119.914 0.086 0.000 2.283 112 V HA -0.172 3.953 4.120 0.007 0.000 0.243 112 V C 2.811 178.966 176.094 0.101 0.000 1.039 112 V CA 1.558 63.923 62.300 0.109 0.000 1.016 112 V CB -0.733 31.186 31.823 0.160 0.000 0.650 112 V HN 0.116 nan 8.190 nan 0.000 0.449 113 R N -0.062 120.504 120.500 0.109 0.000 2.200 113 R HA -0.185 4.160 4.340 0.007 0.000 0.234 113 R C 1.529 177.864 176.300 0.057 0.000 1.127 113 R CA 1.715 57.873 56.100 0.097 0.000 0.989 113 R CB -0.135 30.223 30.300 0.096 0.000 0.869 113 R HN 0.547 nan 8.270 nan 0.000 0.459 114 D N -0.856 119.575 120.400 0.052 0.000 2.389 114 D HA 0.026 4.670 4.640 0.007 0.000 0.206 114 D C 1.000 177.321 176.300 0.036 0.000 1.055 114 D CA 0.282 54.304 54.000 0.037 0.000 0.856 114 D CB 0.313 41.134 40.800 0.036 0.000 0.957 114 D HN 0.210 nan 8.370 nan 0.000 0.509 115 R N -0.221 120.307 120.500 0.046 0.000 2.317 115 R HA 0.153 4.497 4.340 0.007 0.000 0.208 115 R C 0.219 176.544 176.300 0.042 0.000 0.914 115 R CA -0.076 56.056 56.100 0.055 0.000 1.060 115 R CB 0.384 30.732 30.300 0.080 0.000 1.015 115 R HN -0.031 nan 8.270 nan 0.000 0.498 116 C N 1.248 120.553 119.300 0.009 0.000 2.298 116 C HA 0.423 4.887 4.460 0.007 0.000 0.323 116 C C 0.050 175.003 174.990 -0.063 0.000 1.284 116 C CA -0.194 58.799 59.018 -0.042 0.000 1.577 116 C CB 0.693 28.379 27.740 -0.090 0.000 2.249 116 C HN 0.244 nan 8.230 nan 0.000 0.497 117 T N 6.650 121.164 114.554 -0.067 0.000 2.771 117 T HA 0.483 4.838 4.350 0.007 0.000 0.281 117 T C -0.670 173.934 174.700 -0.159 0.000 0.982 117 T CA -0.308 61.746 62.100 -0.076 0.000 0.978 117 T CB 1.212 70.075 68.868 -0.009 0.000 0.930 117 T HN 0.526 nan 8.240 nan 0.000 0.447 118 L N 4.943 126.052 121.223 -0.190 0.000 2.296 118 L HA 0.700 5.044 4.340 0.007 0.000 0.286 118 L C -0.981 175.794 176.870 -0.158 0.000 1.023 118 L CA -0.406 54.274 54.840 -0.267 0.000 0.812 118 L CB 1.252 43.109 42.059 -0.337 0.000 1.223 118 L HN 0.461 nan 8.230 nan 0.000 0.421 119 V N 4.296 124.120 119.914 -0.151 0.000 2.709 119 V HA 0.423 4.547 4.120 0.007 0.000 0.308 119 V C -0.392 175.647 176.094 -0.092 0.000 1.062 119 V CA -0.815 61.430 62.300 -0.092 0.000 0.901 119 V CB 1.714 33.499 31.823 -0.063 0.000 1.003 119 V HN 0.764 nan 8.190 nan 0.000 0.425 120 Q N 2.051 121.818 119.800 -0.056 0.000 2.288 120 Q HA 0.644 4.988 4.340 0.007 0.000 0.258 120 Q C -0.027 175.954 176.000 -0.031 0.000 0.957 120 Q CA 0.236 56.013 55.803 -0.043 0.000 0.919 120 Q CB 1.367 30.091 28.738 -0.022 0.000 1.185 120 Q HN 1.089 nan 8.270 nan 0.000 0.408 121 G N 2.415 111.189 108.800 -0.043 0.000 2.547 121 G HA2 0.135 4.099 3.960 0.007 0.000 0.291 121 G HA3 0.135 4.099 3.960 0.007 0.000 0.291 121 G C -1.991 172.891 174.900 -0.031 0.000 1.471 121 G CA -0.733 44.355 45.100 -0.019 0.000 0.798 121 G HN 0.573 nan 8.290 nan 0.000 0.504 122 D N 1.166 121.582 120.400 0.027 0.000 2.359 122 D HA 0.234 4.879 4.640 0.007 0.000 0.230 122 D C 1.865 178.213 176.300 0.080 0.000 1.118 122 D CA -0.654 53.368 54.000 0.036 0.000 0.844 122 D CB 1.332 42.167 40.800 0.058 0.000 1.059 122 D HN 0.458 nan 8.370 nan 0.000 0.493 123 M N 2.111 121.705 119.600 -0.011 0.000 2.549 123 M HA -0.089 4.395 4.480 0.007 0.000 0.260 123 M C 1.286 177.729 176.300 0.239 0.000 1.076 123 M CA 1.016 56.305 55.300 -0.018 0.000 1.090 123 M CB -0.139 32.383 32.600 -0.130 0.000 1.418 123 M HN 0.194 nan 8.290 nan 0.000 0.486 124 S N 0.428 116.215 115.700 0.144 0.000 2.496 124 S HA 0.397 4.872 4.470 0.007 0.000 0.224 124 S C 0.929 175.584 174.600 0.091 0.000 0.996 124 S CA 0.091 58.346 58.200 0.091 0.000 0.927 124 S CB 0.039 63.254 63.200 0.025 0.000 0.774 124 S HN 0.619 nan 8.310 nan 0.000 0.524 125 A N 0.789 123.693 122.820 0.141 0.000 3.124 125 A HA 0.574 4.898 4.320 0.007 0.000 0.295 125 A C -0.591 177.063 177.584 0.117 0.000 1.199 125 A CA -0.935 51.138 52.037 0.059 0.000 0.845 125 A CB -0.359 18.662 19.000 0.035 0.000 1.381 125 A HN 0.659 nan 8.150 nan 0.000 0.537 126 F N -0.432 119.513 119.950 -0.009 0.000 2.598 126 F HA 0.970 5.501 4.527 0.007 0.000 0.327 126 F C -0.119 175.725 175.800 0.074 0.000 1.057 126 F CA -1.071 56.920 58.000 -0.015 0.000 0.957 126 F CB 1.900 40.842 39.000 -0.097 0.000 1.278 126 F HN 0.620 nan 8.300 nan 0.000 0.484 127 A N 3.177 126.126 122.820 0.214 0.000 2.466 127 A HA 0.689 5.014 4.320 0.007 0.000 0.284 127 A C -1.775 176.023 177.584 0.356 0.000 1.049 127 A CA -0.603 51.593 52.037 0.265 0.000 0.760 127 A CB 0.683 19.745 19.000 0.102 0.000 1.274 127 A HN 0.852 nan 8.150 nan 0.000 0.412 128 L N 0.856 122.447 121.223 0.614 0.000 2.319 128 L HA 0.540 4.884 4.340 0.007 0.000 0.267 128 L C -0.018 176.980 176.870 0.212 0.000 1.011 128 L CA -0.903 54.166 54.840 0.382 0.000 0.818 128 L CB 1.827 44.170 42.059 0.472 0.000 1.316 128 L HN 0.720 nan 8.230 nan 0.000 0.432 129 D N 1.804 122.276 120.400 0.120 0.000 3.085 129 D HA 0.204 4.849 4.640 0.007 0.000 0.243 129 D C -0.543 175.757 176.300 -0.002 0.000 1.232 129 D CA 0.276 54.297 54.000 0.033 0.000 0.913 129 D CB -0.023 40.788 40.800 0.019 0.000 1.108 129 D HN 0.374 nan 8.370 nan 0.000 0.468 130 K N 0.397 120.797 120.400 0.000 0.000 2.589 130 K HA 0.343 4.667 4.320 0.007 0.000 0.265 130 K C -1.044 175.450 176.600 -0.177 0.000 0.935 130 K CA -0.739 55.456 56.287 -0.154 0.000 0.850 130 K CB 1.471 33.836 32.500 -0.226 0.000 1.372 130 K HN -0.045 nan 8.250 nan 0.000 0.420 131 R N 1.834 122.124 120.500 -0.349 0.000 2.873 131 R HA 0.602 4.946 4.340 0.007 0.000 0.264 131 R C -1.016 174.986 176.300 -0.497 0.000 1.026 131 R CA -0.747 55.227 56.100 -0.211 0.000 1.002 131 R CB 1.111 31.347 30.300 -0.106 0.000 1.174 131 R HN 0.322 nan 8.270 nan 0.000 0.488 132 F N -1.770 118.209 119.950 0.049 0.000 2.588 132 F HA 0.319 4.850 4.527 0.008 0.000 0.310 132 F C 1.182 176.983 175.800 0.001 0.000 1.082 132 F CA -0.747 57.264 58.000 0.019 0.000 0.929 132 F CB 2.077 41.095 39.000 0.030 0.000 1.254 132 F HN 0.700 nan 8.300 nan 0.000 0.455 133 G N 0.286 109.165 108.800 0.132 0.000 2.448 133 G HA2 0.139 4.103 3.960 0.007 0.000 0.218 133 G HA3 0.139 4.103 3.960 0.007 0.000 0.218 133 G C 0.079 175.010 174.900 0.052 0.000 1.135 133 G CA 0.682 45.813 45.100 0.052 0.000 0.784 133 G HN 0.500 nan 8.290 nan 0.000 0.543 134 T N -0.338 114.247 114.554 0.052 0.000 2.916 134 T HA 0.536 4.891 4.350 0.007 0.000 0.298 134 T C -1.214 173.488 174.700 0.004 0.000 1.031 134 T CA -0.438 61.659 62.100 -0.004 0.000 0.993 134 T CB 2.833 71.591 68.868 -0.183 0.000 1.045 134 T HN -0.085 nan 8.240 nan 0.000 0.454 135 V N 3.234 123.190 119.914 0.069 0.000 2.588 135 V HA 0.783 4.907 4.120 0.007 0.000 0.304 135 V C -0.264 175.951 176.094 0.201 0.000 1.042 135 V CA -0.866 61.462 62.300 0.046 0.000 0.877 135 V CB 1.745 33.578 31.823 0.018 0.000 0.996 135 V HN 0.842 nan 8.190 nan 0.000 0.425 136 V N 3.982 123.938 119.914 0.070 0.000 2.735 136 V HA 0.836 4.960 4.120 0.007 0.000 0.310 136 V C -0.926 175.212 176.094 0.073 0.000 1.061 136 V CA -0.611 61.720 62.300 0.053 0.000 0.913 136 V CB 1.869 33.510 31.823 -0.303 0.000 1.005 136 V HN 0.838 nan 8.190 nan 0.000 0.428 137 I N 3.884 124.548 120.570 0.156 0.000 2.722 137 I HA 0.715 4.889 4.170 0.007 0.000 0.295 137 I C 0.024 176.269 176.117 0.213 0.000 1.161 137 I CA -0.199 61.192 61.300 0.152 0.000 1.032 137 I CB 2.535 40.678 38.000 0.238 0.000 1.244 137 I HN 1.093 nan 8.210 nan 0.000 0.421 138 S N 3.675 119.477 115.700 0.170 0.000 2.687 138 S HA 0.273 4.747 4.470 0.007 0.000 0.283 138 S C 0.988 175.690 174.600 0.170 0.000 1.170 138 S CA 0.066 58.411 58.200 0.242 0.000 1.008 138 S CB 1.758 65.081 63.200 0.205 0.000 1.026 138 S HN 0.738 nan 8.310 nan 0.000 0.541 139 S N 2.097 117.896 115.700 0.166 0.000 2.368 139 S HA -0.118 4.357 4.470 0.007 0.000 0.226 139 S C 2.119 176.769 174.600 0.082 0.000 1.044 139 S CA 2.113 60.375 58.200 0.102 0.000 1.062 139 S CB -1.634 61.611 63.200 0.075 0.000 0.931 139 S HN 1.095 nan 8.310 nan 0.000 0.440 140 G N -0.018 108.833 108.800 0.085 0.000 2.550 140 G HA2 -0.216 3.748 3.960 0.007 0.000 0.222 140 G HA3 -0.216 3.748 3.960 0.007 0.000 0.222 140 G C 1.577 176.505 174.900 0.046 0.000 1.113 140 G CA 1.480 46.620 45.100 0.066 0.000 0.748 140 G HN 0.619 nan 8.290 nan 0.000 0.585 141 S N -0.268 115.466 115.700 0.057 0.000 2.398 141 S HA 0.131 4.606 4.470 0.007 0.000 0.220 141 S C 2.122 176.751 174.600 0.047 0.000 1.046 141 S CA 0.320 58.547 58.200 0.044 0.000 0.953 141 S CB -0.145 63.084 63.200 0.049 0.000 0.856 141 S HN 0.342 nan 8.310 nan 0.000 0.506 142 I N 2.464 123.077 120.570 0.072 0.000 2.454 142 I HA -0.156 4.018 4.170 0.007 0.000 0.254 142 I C 1.296 177.443 176.117 0.050 0.000 1.156 142 I CA 1.056 62.401 61.300 0.074 0.000 1.433 142 I CB -0.111 37.958 38.000 0.115 0.000 1.082 142 I HN 0.212 nan 8.210 nan 0.000 0.432 143 N N 0.957 119.683 118.700 0.044 0.000 2.512 143 N HA -0.121 4.623 4.740 0.007 0.000 0.183 143 N C 1.344 176.863 175.510 0.016 0.000 1.073 143 N CA 0.583 53.651 53.050 0.030 0.000 0.911 143 N CB -0.052 38.454 38.487 0.032 0.000 0.964 143 N HN 0.447 nan 8.380 nan 0.000 0.447 144 E N 0.493 120.701 120.200 0.012 0.000 2.265 144 E HA -0.014 4.340 4.350 0.007 0.000 0.196 144 E C 0.493 177.091 176.600 -0.003 0.000 0.996 144 E CA 0.430 56.829 56.400 -0.002 0.000 0.832 144 E CB 0.235 29.931 29.700 -0.006 0.000 0.756 144 E HN 0.389 nan 8.360 nan 0.000 0.491 145 L N 2.535 123.757 121.223 -0.001 0.000 2.309 145 L HA 0.151 4.495 4.340 0.007 0.000 0.282 145 L C 0.434 177.298 176.870 -0.010 0.000 1.036 145 L CA -1.097 53.737 54.840 -0.011 0.000 0.806 145 L CB 1.203 43.246 42.059 -0.026 0.000 1.220 145 L HN -0.075 nan 8.230 nan 0.000 0.429 146 D N 0.858 121.251 120.400 -0.011 0.000 2.346 146 D HA -0.080 4.564 4.640 0.007 0.000 0.249 146 D C 0.818 177.112 176.300 -0.010 0.000 1.308 146 D CA -0.236 53.761 54.000 -0.006 0.000 0.987 146 D CB 0.641 41.439 40.800 -0.003 0.000 1.114 146 D HN 0.635 nan 8.370 nan 0.000 0.529 147 E N -0.809 119.393 120.200 0.003 0.000 2.072 147 E HA -0.177 4.177 4.350 0.007 0.000 0.191 147 E C 1.999 178.598 176.600 -0.001 0.000 0.985 147 E CA 1.018 57.425 56.400 0.013 0.000 0.801 147 E CB -0.294 29.424 29.700 0.030 0.000 0.750 147 E HN 0.530 nan 8.360 nan 0.000 0.452 148 A N 1.318 124.136 122.820 -0.002 0.000 1.902 148 A HA -0.207 4.118 4.320 0.007 0.000 0.217 148 A C 1.810 179.376 177.584 -0.030 0.000 1.181 148 A CA 1.870 53.904 52.037 -0.005 0.000 0.623 148 A CB -0.501 18.499 19.000 0.001 0.000 0.818 148 A HN 0.259 nan 8.150 nan 0.000 0.443 149 D N -0.540 119.837 120.400 -0.039 0.000 2.144 149 D HA -0.097 4.547 4.640 0.007 0.000 0.200 149 D C 2.198 178.424 176.300 -0.123 0.000 0.978 149 D CA 0.924 54.892 54.000 -0.053 0.000 0.833 149 D CB -0.342 40.438 40.800 -0.032 0.000 0.961 149 D HN 0.434 nan 8.370 nan 0.000 0.470 150 R N 0.474 120.866 120.500 -0.179 0.000 2.081 150 R HA -0.022 4.323 4.340 0.007 0.000 0.235 150 R C 2.370 178.235 176.300 -0.724 0.000 1.131 150 R CA 0.833 56.667 56.100 -0.444 0.000 0.960 150 R CB -0.111 29.989 30.300 -0.332 0.000 0.856 150 R HN 0.198 nan 8.270 nan 0.000 0.436 151 R N -0.136 120.190 120.500 -0.290 0.000 2.083 151 R HA -0.104 4.240 4.340 0.007 0.000 0.237 151 R C 2.467 178.740 176.300 -0.046 0.000 1.137 151 R CA 1.432 57.495 56.100 -0.062 0.000 0.951 151 R CB -0.650 29.684 30.300 0.057 0.000 0.851 151 R HN 0.343 nan 8.270 nan 0.000 0.434 152 G N 1.753 110.515 108.800 -0.064 0.000 2.446 152 G HA2 -0.294 3.671 3.960 0.007 0.000 0.217 152 G HA3 -0.294 3.671 3.960 0.007 0.000 0.217 152 G C 1.386 176.270 174.900 -0.028 0.000 1.168 152 G CA 0.737 45.818 45.100 -0.031 0.000 0.771 152 G HN 0.226 nan 8.290 nan 0.000 0.551 153 L N -0.349 120.827 121.223 -0.079 0.000 1.990 153 L HA -0.143 4.202 4.340 0.007 0.000 0.213 153 L C 2.677 179.604 176.870 0.096 0.000 1.072 153 L CA 1.860 56.696 54.840 -0.006 0.000 0.755 153 L CB -0.730 41.272 42.059 -0.096 0.000 0.889 153 L HN 0.300 nan 8.230 nan 0.000 0.432 154 Y N 0.035 120.439 120.300 0.172 0.000 2.181 154 Y HA -0.063 4.491 4.550 0.007 0.000 0.288 154 Y C 2.630 178.671 175.900 0.236 0.000 1.146 154 Y CA 0.755 59.021 58.100 0.277 0.000 1.164 154 Y CB -1.669 37.008 38.460 0.361 0.000 0.982 154 Y HN 0.324 nan 8.280 nan 0.000 0.515 155 A N -0.391 122.584 122.820 0.258 0.000 1.877 155 A HA -0.174 4.151 4.320 0.007 0.000 0.216 155 A C 2.498 180.098 177.584 0.026 0.000 1.186 155 A CA 2.049 54.152 52.037 0.110 0.000 0.620 155 A CB -1.080 17.952 19.000 0.053 0.000 0.822 155 A HN 0.392 nan 8.150 nan 0.000 0.443 156 S N -0.463 115.208 115.700 -0.049 0.000 2.368 156 S HA -0.132 4.343 4.470 0.007 0.000 0.225 156 S C 1.885 176.405 174.600 -0.134 0.000 1.030 156 S CA 1.427 59.467 58.200 -0.267 0.000 0.999 156 S CB -0.461 62.347 63.200 -0.654 0.000 0.844 156 S HN 0.333 nan 8.310 nan 0.000 0.459 157 V N 2.119 122.041 119.914 0.012 0.000 2.307 157 V HA -0.168 3.956 4.120 0.007 0.000 0.245 157 V C 2.544 178.723 176.094 0.142 0.000 1.045 157 V CA 1.832 64.154 62.300 0.037 0.000 1.024 157 V CB -0.650 30.935 31.823 -0.396 0.000 0.651 157 V HN 0.426 nan 8.190 nan 0.000 0.449 158 R N 0.282 120.890 120.500 0.180 0.000 2.119 158 R HA -0.238 4.106 4.340 0.007 0.000 0.246 158 R C 2.070 178.374 176.300 0.007 0.000 1.146 158 R CA 2.039 58.161 56.100 0.036 0.000 0.962 158 R CB -0.251 29.968 30.300 -0.134 0.000 0.863 158 R HN 0.484 nan 8.270 nan 0.000 0.442 159 E N -0.351 119.844 120.200 -0.008 0.000 2.418 159 E HA -0.132 4.222 4.350 0.007 0.000 0.197 159 E C 0.837 177.320 176.600 -0.195 0.000 1.026 159 E CA 1.019 57.352 56.400 -0.112 0.000 0.862 159 E CB -0.018 29.579 29.700 -0.171 0.000 0.799 159 E HN 0.626 nan 8.360 nan 0.000 0.518 160 H N -1.060 118.026 119.070 0.028 0.000 2.755 160 H HA 0.291 4.851 4.556 0.007 0.000 0.273 160 H C 0.105 175.553 175.328 0.199 0.000 1.055 160 H CA -0.126 56.016 56.048 0.156 0.000 1.191 160 H CB 0.537 30.471 29.762 0.286 0.000 1.536 160 H HN -0.091 nan 8.280 nan 0.000 0.529 161 L N 1.244 122.583 121.223 0.193 0.000 2.312 161 L HA 0.239 4.583 4.340 0.007 0.000 0.281 161 L C 0.326 177.246 176.870 0.083 0.000 1.070 161 L CA -0.365 54.573 54.840 0.164 0.000 0.805 161 L CB 1.694 43.849 42.059 0.160 0.000 1.174 161 L HN 0.234 nan 8.230 nan 0.000 0.434 162 E N 3.420 123.662 120.200 0.070 0.000 2.374 162 E HA 0.199 4.553 4.350 0.007 0.000 0.260 162 E C -2.221 174.392 176.600 0.021 0.000 1.101 162 E CA -1.721 54.690 56.400 0.019 0.000 0.907 162 E CB 0.555 30.254 29.700 -0.002 0.000 1.014 162 E HN 0.329 nan 8.360 nan 0.000 0.427 163 P HA -0.093 nan 4.420 nan 0.000 0.257 163 P C 0.232 177.540 177.300 0.014 0.000 1.162 163 P CA 1.324 64.426 63.100 0.002 0.000 0.762 163 P CB 0.107 31.802 31.700 -0.009 0.000 0.753 164 G N 2.390 111.205 108.800 0.026 0.000 2.162 164 G HA2 -0.183 3.781 3.960 0.007 0.000 0.260 164 G HA3 -0.183 3.781 3.960 0.007 0.000 0.260 164 G C 0.638 175.569 174.900 0.051 0.000 0.976 164 G CA -0.190 44.930 45.100 0.034 0.000 0.655 164 G HN 0.887 nan 8.290 nan 0.000 0.533 165 G N 0.040 108.881 108.800 0.069 0.000 2.527 165 G HA2 0.547 4.511 3.960 0.007 0.000 0.248 165 G HA3 0.547 4.511 3.960 0.007 0.000 0.248 165 G C 0.237 175.218 174.900 0.135 0.000 1.231 165 G CA 0.161 45.315 45.100 0.090 0.000 0.838 165 G HN 0.739 nan 8.290 nan 0.000 0.570 166 K N 0.153 120.631 120.400 0.131 0.000 2.203 166 K HA 0.513 4.838 4.320 0.007 0.000 0.251 166 K C -1.748 175.008 176.600 0.259 0.000 0.944 166 K CA -0.924 55.467 56.287 0.174 0.000 0.829 166 K CB 2.437 35.003 32.500 0.111 0.000 1.125 166 K HN 0.242 nan 8.250 nan 0.000 0.430 167 F N 3.483 123.471 119.950 0.063 0.000 2.388 167 F HA 0.359 4.891 4.527 0.007 0.000 0.358 167 F C -1.530 174.280 175.800 0.017 0.000 1.122 167 F CA -1.948 56.060 58.000 0.013 0.000 1.056 167 F CB 0.653 39.578 39.000 -0.125 0.000 1.155 167 F HN 0.336 nan 8.300 nan 0.000 0.461 168 L N 7.035 128.344 121.223 0.144 0.000 2.322 168 L HA 0.586 4.930 4.340 0.007 0.000 0.281 168 L C -1.040 175.903 176.870 0.122 0.000 1.014 168 L CA -0.944 53.957 54.840 0.101 0.000 0.815 168 L CB 1.416 43.706 42.059 0.387 0.000 1.247 168 L HN 0.467 nan 8.230 nan 0.000 0.421 169 L N 2.042 123.243 121.223 -0.038 0.000 2.401 169 L HA 0.720 5.065 4.340 0.007 0.000 0.266 169 L C 0.079 176.992 176.870 0.071 0.000 0.991 169 L CA -0.362 54.490 54.840 0.020 0.000 0.818 169 L CB 2.234 44.145 42.059 -0.248 0.000 1.321 169 L HN 0.626 nan 8.230 nan 0.000 0.413 170 S N 2.302 118.147 115.700 0.242 0.000 2.509 170 S HA 0.935 5.409 4.470 0.007 0.000 0.297 170 S C -0.770 173.896 174.600 0.109 0.000 1.118 170 S CA -0.724 57.579 58.200 0.173 0.000 1.074 170 S CB 1.152 64.557 63.200 0.341 0.000 1.038 170 S HN 0.486 nan 8.310 nan 0.000 0.498 171 L N 2.069 123.302 121.223 0.017 0.000 2.476 171 L HA 0.671 5.015 4.340 0.007 0.000 0.269 171 L C 0.130 176.956 176.870 -0.073 0.000 0.965 171 L CA -1.011 53.822 54.840 -0.012 0.000 0.845 171 L CB 1.928 43.974 42.059 -0.022 0.000 1.259 171 L HN 0.936 nan 8.230 nan 0.000 0.403 172 A N 4.247 127.036 122.820 -0.051 0.000 2.477 172 A HA 0.508 4.832 4.320 0.007 0.000 0.246 172 A C -0.249 177.291 177.584 -0.072 0.000 1.078 172 A CA 0.069 52.058 52.037 -0.080 0.000 0.770 172 A CB 0.450 19.427 19.000 -0.038 0.000 1.011 172 A HN 0.813 nan 8.150 nan 0.000 0.494 173 M N 4.048 123.591 119.600 -0.095 0.000 2.078 173 M HA 0.349 4.833 4.480 0.007 0.000 0.320 173 M C 0.337 176.603 176.300 -0.057 0.000 0.969 173 M CA -0.358 54.898 55.300 -0.074 0.000 0.929 173 M CB 1.009 33.551 32.600 -0.095 0.000 1.504 173 M HN 0.912 nan 8.290 nan 0.000 0.419 174 S N 2.988 118.666 115.700 -0.037 0.000 2.608 174 S HA 0.184 4.658 4.470 0.007 0.000 0.261 174 S C 0.685 175.270 174.600 -0.025 0.000 1.314 174 S CA -0.238 57.946 58.200 -0.027 0.000 0.992 174 S CB 0.828 64.019 63.200 -0.015 0.000 0.935 174 S HN 0.848 nan 8.310 nan 0.000 0.564 175 E N 1.134 121.323 120.200 -0.020 0.000 2.070 175 E HA -0.201 4.154 4.350 0.007 0.000 0.197 175 E C 2.394 178.988 176.600 -0.010 0.000 1.004 175 E CA 1.480 57.871 56.400 -0.015 0.000 0.805 175 E CB -0.590 29.103 29.700 -0.011 0.000 0.744 175 E HN 0.813 nan 8.360 nan 0.000 0.451 176 A N 1.294 124.111 122.820 -0.005 0.000 1.933 176 A HA -0.131 4.193 4.320 0.007 0.000 0.218 176 A C 2.362 179.946 177.584 0.000 0.000 1.175 176 A CA 1.753 53.791 52.037 0.002 0.000 0.628 176 A CB -0.605 18.399 19.000 0.008 0.000 0.814 176 A HN 0.305 nan 8.150 nan 0.000 0.444 177 A N -0.734 122.082 122.820 -0.006 0.000 2.014 177 A HA -0.103 4.221 4.320 0.007 0.000 0.218 177 A C 1.993 179.568 177.584 -0.015 0.000 1.163 177 A CA 1.585 53.616 52.037 -0.010 0.000 0.652 177 A CB -0.382 18.609 19.000 -0.015 0.000 0.808 177 A HN 0.673 nan 8.150 nan 0.000 0.449 178 E N 0.326 120.514 120.200 -0.020 0.000 2.112 178 E HA -0.022 4.332 4.350 0.007 0.000 0.190 178 E C 0.264 176.855 176.600 -0.015 0.000 0.979 178 E CA 0.387 56.773 56.400 -0.023 0.000 0.814 178 E CB 0.053 29.736 29.700 -0.028 0.000 0.762 178 E HN 0.498 nan 8.360 nan 0.000 0.460 179 S N 1.854 117.549 115.700 -0.009 0.000 2.568 179 S HA 0.003 4.477 4.470 0.007 0.000 0.282 179 S C -0.141 174.457 174.600 -0.003 0.000 1.338 179 S CA -0.214 57.983 58.200 -0.005 0.000 1.045 179 S CB 0.765 63.965 63.200 -0.001 0.000 0.873 179 S HN 0.168 nan 8.310 nan 0.000 0.516 180 E N 2.898 123.096 120.200 -0.004 0.000 2.351 180 E HA 0.135 4.489 4.350 0.007 0.000 0.266 180 E C -2.130 174.470 176.600 0.001 0.000 1.031 180 E CA -1.671 54.727 56.400 -0.003 0.000 0.911 180 E CB -0.082 29.614 29.700 -0.006 0.000 0.986 180 E HN 0.305 nan 8.360 nan 0.000 0.446 181 P HA -0.041 nan 4.420 nan 0.000 0.262 181 P C -0.118 177.184 177.300 0.004 0.000 1.182 181 P CA 0.240 63.349 63.100 0.013 0.000 0.761 181 P CB 0.390 32.104 31.700 0.024 0.000 0.795 182 L N 3.064 124.286 121.223 -0.001 0.000 2.410 182 L HA 0.103 4.447 4.340 0.007 0.000 0.273 182 L C 1.124 177.978 176.870 -0.026 0.000 1.152 182 L CA 0.205 55.037 54.840 -0.012 0.000 0.855 182 L CB 0.147 42.196 42.059 -0.016 0.000 1.129 182 L HN 0.405 nan 8.230 nan 0.000 0.463 183 E N 2.835 123.031 120.200 -0.006 0.000 2.283 183 E HA 0.307 4.661 4.350 0.007 0.000 0.271 183 E C -0.446 176.150 176.600 -0.008 0.000 1.031 183 E CA -0.683 55.725 56.400 0.014 0.000 0.868 183 E CB 1.104 30.855 29.700 0.085 0.000 1.094 183 E HN 0.425 nan 8.360 nan 0.000 0.401 184 R N 2.101 122.588 120.500 -0.022 0.000 2.407 184 R HA 0.334 4.679 4.340 0.007 0.000 0.298 184 R C -0.869 175.399 176.300 -0.052 0.000 1.166 184 R CA -0.756 55.320 56.100 -0.040 0.000 1.006 184 R CB 0.661 30.921 30.300 -0.067 0.000 1.145 184 R HN 0.190 nan 8.270 nan 0.000 0.538 185 K N 2.577 122.937 120.400 -0.066 0.000 2.326 185 K HA 0.039 4.363 4.320 0.007 0.000 0.275 185 K C -0.381 176.140 176.600 -0.132 0.000 1.018 185 K CA -0.033 56.147 56.287 -0.179 0.000 0.962 185 K CB 1.123 33.524 32.500 -0.166 0.000 0.953 185 K HN 0.571 nan 8.250 nan 0.000 0.475 198 L N 3.848 124.978 121.223 -0.156 0.000 2.319 198 L HA 0.688 5.033 4.340 0.007 0.000 0.281 198 L C -0.490 176.276 176.870 -0.173 0.000 1.005 198 L CA 0.152 54.928 54.840 -0.105 0.000 0.828 198 L CB 1.120 43.147 42.059 -0.054 0.000 1.227 198 L HN 0.732 nan 8.230 nan 0.000 0.415 199 H N 3.707 122.774 119.070 -0.005 0.000 2.705 199 H HA 0.553 5.112 4.556 0.007 0.000 0.291 199 H C -0.736 174.587 175.328 -0.008 0.000 1.085 199 H CA -0.244 55.799 56.048 -0.009 0.000 1.357 199 H CB 1.136 30.895 29.762 -0.005 0.000 1.419 199 H HN 0.409 nan 8.280 nan 0.000 0.462 200 V N 5.127 125.090 119.914 0.082 0.000 2.495 200 V HA 0.465 4.590 4.120 0.007 0.000 0.298 200 V C 0.083 176.179 176.094 0.004 0.000 1.031 200 V CA -0.775 61.547 62.300 0.036 0.000 0.871 200 V CB 1.606 33.421 31.823 -0.013 0.000 0.988 200 V HN 0.763 nan 8.190 nan 0.000 0.432 201 R N 1.995 122.512 120.500 0.029 0.000 2.750 201 R HA 0.577 4.921 4.340 0.007 0.000 0.281 201 R C -1.007 175.373 176.300 0.134 0.000 0.972 201 R CA -0.761 55.352 56.100 0.021 0.000 0.912 201 R CB 2.145 32.470 30.300 0.041 0.000 1.187 201 R HN 0.794 nan 8.270 nan 0.000 0.464 202 H N 2.952 122.032 119.070 0.018 0.000 2.581 202 H HA 0.300 4.858 4.556 0.002 0.000 0.308 202 H C -0.501 174.833 175.328 0.010 0.000 1.040 202 H CA -0.721 55.335 56.048 0.014 0.000 1.231 202 H CB 1.078 30.847 29.762 0.012 0.000 1.396 202 H HN 0.103 nan 8.280 nan 0.000 0.467 203 L N 5.412 126.708 121.223 0.122 0.000 2.307 203 L HA 0.373 4.717 4.340 0.007 0.000 0.282 203 L C -1.857 175.038 176.870 0.043 0.000 1.051 203 L CA -2.255 52.624 54.840 0.065 0.000 0.804 203 L CB 0.689 42.775 42.059 0.045 0.000 1.197 203 L HN 0.464 nan 8.230 nan 0.000 0.431 204 P HA 0.169 nan 4.420 nan 0.000 0.271 204 P C -0.168 177.140 177.300 0.014 0.000 1.216 204 P CA -0.210 62.901 63.100 0.020 0.000 0.771 204 P CB 1.891 33.600 31.700 0.015 0.000 0.864 205 A N 2.588 125.414 122.820 0.010 0.000 1.995 205 A HA 0.197 4.522 4.320 0.007 0.000 0.200 205 A C 0.538 178.130 177.584 0.013 0.000 1.566 205 A CA 0.429 52.474 52.037 0.013 0.000 0.895 205 A CB 0.102 19.108 19.000 0.011 0.000 1.046 205 A HN 0.617 nan 8.150 nan 0.000 0.523 206 E N -0.005 120.200 120.200 0.008 0.000 2.321 206 E HA 0.477 4.831 4.350 0.007 0.000 0.278 206 E C -1.626 174.975 176.600 0.002 0.000 0.902 206 E CA -0.349 56.055 56.400 0.007 0.000 0.758 206 E CB 1.612 31.317 29.700 0.009 0.000 1.213 206 E HN 0.452 nan 8.360 nan 0.000 0.426 207 E N 2.661 122.862 120.200 0.001 0.000 2.378 207 E HA 0.507 4.862 4.350 0.007 0.000 0.265 207 E C -0.648 175.949 176.600 -0.005 0.000 0.932 207 E CA -0.953 55.446 56.400 -0.002 0.000 0.795 207 E CB 2.101 31.801 29.700 -0.001 0.000 1.296 207 E HN 0.387 nan 8.360 nan 0.000 0.438 208 I N 1.843 122.409 120.570 -0.008 0.000 2.330 208 I HA 0.136 4.311 4.170 0.007 0.000 0.289 208 I C -0.221 175.889 176.117 -0.011 0.000 1.001 208 I CA -0.433 60.858 61.300 -0.016 0.000 1.193 208 I CB 1.398 39.384 38.000 -0.022 0.000 1.345 208 I HN 0.345 nan 8.210 nan 0.000 0.461 209 Q N 6.968 126.763 119.800 -0.008 0.000 2.307 209 Q HA 0.174 4.518 4.340 0.007 0.000 0.259 209 Q C -0.557 175.442 176.000 -0.001 0.000 0.998 209 Q CA -0.136 55.668 55.803 0.002 0.000 0.923 209 Q CB 0.945 29.695 28.738 0.019 0.000 1.196 209 Q HN 0.560 nan 8.270 nan 0.000 0.416 210 E N 5.432 125.632 120.200 -0.000 0.000 2.145 210 E HA 0.385 4.739 4.350 0.007 0.000 0.270 210 E C -0.999 175.605 176.600 0.006 0.000 0.906 210 E CA -0.694 55.707 56.400 0.003 0.000 0.761 210 E CB 0.904 30.605 29.700 0.002 0.000 1.116 210 E HN 0.712 nan 8.360 nan 0.000 0.408 211 I N 0.564 121.144 120.570 0.016 0.000 2.693 211 I HA 0.637 4.812 4.170 0.007 0.000 0.303 211 I C -0.894 175.204 176.117 -0.031 0.000 1.025 211 I CA -0.592 60.690 61.300 -0.031 0.000 1.086 211 I CB 2.534 40.483 38.000 -0.084 0.000 1.268 211 I HN 0.207 nan 8.210 nan 0.000 0.440 212 T N 6.243 120.756 114.554 -0.069 0.000 2.937 212 T HA 0.607 4.961 4.350 0.007 0.000 0.297 212 T C -0.520 174.129 174.700 -0.085 0.000 0.991 212 T CA -0.233 61.840 62.100 -0.046 0.000 0.990 212 T CB 1.185 70.040 68.868 -0.023 0.000 0.991 212 T HN 0.446 nan 8.240 nan 0.000 0.440 213 I N 4.226 124.739 120.570 -0.094 0.000 2.465 213 I HA 0.580 4.754 4.170 0.007 0.000 0.291 213 I C -0.261 175.832 176.117 -0.040 0.000 1.014 213 I CA -0.848 60.362 61.300 -0.149 0.000 1.093 213 I CB 1.656 39.472 38.000 -0.306 0.000 1.267 213 I HN 0.844 nan 8.210 nan 0.000 0.431 214 H N 4.327 123.290 119.070 -0.179 0.000 3.008 214 H HA 0.665 5.226 4.556 0.007 0.000 0.354 214 H C -2.963 172.240 175.328 -0.209 0.000 1.252 214 H CA -2.229 53.657 56.048 -0.270 0.000 1.117 214 H CB 0.607 30.237 29.762 -0.219 0.000 1.857 214 H HN 0.198 nan 8.280 nan 0.000 0.547 215 P HA 0.167 nan 4.420 nan 0.000 0.271 215 P C 0.463 177.794 177.300 0.052 0.000 1.218 215 P CA 0.050 63.087 63.100 -0.105 0.000 0.780 215 P CB 0.949 32.618 31.700 -0.051 0.000 0.901 216 A N 2.135 124.952 122.820 -0.005 0.000 2.019 216 A HA -0.122 4.203 4.320 0.007 0.000 0.219 216 A C 0.871 178.538 177.584 0.138 0.000 1.164 216 A CA 1.359 53.413 52.037 0.028 0.000 0.644 216 A CB -0.841 18.152 19.000 -0.012 0.000 0.805 216 A HN 0.563 nan 8.150 nan 0.000 0.449 217 D N -1.670 118.836 120.400 0.176 0.000 2.249 217 D HA 0.258 4.903 4.640 0.007 0.000 0.269 217 D C 1.243 177.696 176.300 0.255 0.000 1.220 217 D CA 0.172 54.280 54.000 0.180 0.000 1.016 217 D CB 0.222 41.111 40.800 0.148 0.000 1.133 217 D HN 0.319 nan 8.370 nan 0.000 0.533 218 E N -1.677 118.593 120.200 0.117 0.000 2.640 218 E HA -0.018 4.337 4.350 0.007 0.000 0.197 218 E C 1.298 177.801 176.600 -0.162 0.000 0.925 218 E CA 0.216 56.518 56.400 -0.164 0.000 1.604 218 E CB 0.349 29.940 29.700 -0.181 0.000 1.769 218 E HN 0.490 nan 8.360 nan 0.000 0.965 219 T N -1.270 113.291 114.554 0.011 0.000 2.634 219 T HA -0.051 4.304 4.350 0.007 0.000 0.243 219 T C 1.494 176.279 174.700 0.142 0.000 1.121 219 T CA 2.001 64.124 62.100 0.039 0.000 1.315 219 T CB -0.739 68.150 68.868 0.034 0.000 0.944 219 T HN 0.124 nan 8.240 nan 0.000 0.402 220 T N 0.404 115.048 114.554 0.150 0.000 12.996 220 T HA -0.312 4.042 4.350 0.007 0.000 0.419 220 T C 0.323 175.095 174.700 0.120 0.000 1.441 220 T CA 2.081 64.276 62.100 0.159 0.000 2.368 220 T CB -2.401 66.614 68.868 0.246 0.000 2.821 220 T HN 1.069 nan 8.240 nan 0.000 0.685 221 D N 2.733 123.225 120.400 0.154 0.000 4.867 221 D HA -0.090 4.554 4.640 0.007 0.000 0.238 221 D C -2.107 174.237 176.300 0.073 0.000 1.114 221 D CA 0.728 54.793 54.000 0.108 0.000 1.283 221 D CB 0.180 41.023 40.800 0.071 0.000 0.739 221 D HN 0.501 nan 8.370 nan 0.000 0.371 222 P HA 0.197 nan 4.420 nan 0.000 0.271 222 P C -0.293 177.091 177.300 0.140 0.000 1.218 222 P CA -0.354 62.802 63.100 0.093 0.000 0.780 222 P CB 0.287 32.021 31.700 0.056 0.000 0.901 223 F N 3.168 123.133 119.950 0.026 0.000 2.334 223 F HA 0.216 4.747 4.527 0.006 0.000 0.365 223 F C -0.135 175.690 175.800 0.042 0.000 1.124 223 F CA -0.621 57.401 58.000 0.037 0.000 1.166 223 F CB 0.286 39.307 39.000 0.035 0.000 1.355 223 F HN -0.001 nan 8.300 nan 0.000 0.532 224 V N 5.578 125.335 119.914 -0.261 0.000 2.385 224 V HA 0.380 4.505 4.120 0.007 0.000 0.269 224 V C -0.165 175.785 176.094 -0.239 0.000 1.043 224 V CA -0.922 61.279 62.300 -0.164 0.000 0.906 224 V CB 0.738 32.508 31.823 -0.089 0.000 0.995 224 V HN 0.391 nan 8.190 nan 0.000 0.467 225 V N 4.293 124.155 119.914 -0.086 0.000 2.350 225 V HA 0.269 4.394 4.120 0.007 0.000 0.276 225 V C 0.164 176.272 176.094 0.023 0.000 1.028 225 V CA -0.254 62.031 62.300 -0.025 0.000 0.860 225 V CB 1.155 33.015 31.823 0.062 0.000 0.990 225 V HN 1.045 nan 8.190 nan 0.000 0.453 226 C N 4.779 124.095 119.300 0.026 0.000 2.273 226 C HA 0.733 5.197 4.460 0.007 0.000 0.328 226 C C 0.872 175.901 174.990 0.065 0.000 1.275 226 C CA -0.510 58.556 59.018 0.079 0.000 1.704 226 C CB 0.236 28.071 27.740 0.158 0.000 2.326 226 C HN 0.975 nan 8.230 nan 0.000 0.517 227 T N 0.109 114.735 114.554 0.121 0.000 2.924 227 T HA 0.770 5.124 4.350 0.007 0.000 0.291 227 T C -1.150 173.707 174.700 0.263 0.000 1.045 227 T CA -0.451 61.727 62.100 0.130 0.000 1.015 227 T CB 1.903 70.833 68.868 0.103 0.000 1.103 227 T HN 0.810 nan 8.240 nan 0.000 0.496 228 H N -0.472 118.657 119.070 0.097 0.000 3.121 228 H HA 0.518 5.080 4.556 0.009 0.000 0.337 228 H C -1.436 173.949 175.328 0.096 0.000 1.198 228 H CA -0.579 55.558 56.048 0.148 0.000 1.274 228 H CB 1.584 31.513 29.762 0.279 0.000 1.954 228 H HN 0.730 nan 8.280 nan 0.000 0.531 229 R N 3.345 123.577 120.500 -0.448 0.000 2.439 229 R HA 0.529 4.873 4.340 0.007 0.000 0.310 229 R C -0.612 175.412 176.300 -0.459 0.000 0.955 229 R CA -0.949 54.965 56.100 -0.310 0.000 0.853 229 R CB 1.903 32.107 30.300 -0.161 0.000 1.171 229 R HN 0.746 nan 8.270 nan 0.000 0.449 230 R N 1.213 121.583 120.500 -0.218 0.000 2.837 230 R HA 0.465 4.809 4.340 0.007 0.000 0.271 230 R C -0.683 175.591 176.300 -0.042 0.000 0.993 230 R CA -1.126 54.906 56.100 -0.114 0.000 0.931 230 R CB 1.734 32.041 30.300 0.011 0.000 1.206 230 R HN 0.380 nan 8.270 nan 0.000 0.474 231 R N 1.294 121.779 120.500 -0.025 0.000 2.623 231 R HA 0.161 4.505 4.340 0.007 0.000 0.271 231 R C -1.084 175.220 176.300 0.005 0.000 1.043 231 R CA -0.198 55.897 56.100 -0.009 0.000 1.083 231 R CB 0.476 30.774 30.300 -0.003 0.000 0.974 231 R HN 0.592 nan 8.270 nan 0.000 0.436 232 L N 5.832 127.059 121.223 0.006 0.000 2.529 232 L HA 0.337 4.682 4.340 0.007 0.000 0.260 232 L C -1.536 175.340 176.870 0.010 0.000 0.997 232 L CA -0.224 54.622 54.840 0.010 0.000 0.885 232 L CB 1.433 43.496 42.059 0.006 0.000 1.185 232 L HN 0.605 nan 8.230 nan 0.000 0.442 233 L N 3.741 124.973 121.223 0.016 0.000 2.395 233 L HA 0.670 5.014 4.340 0.007 0.000 0.269 233 L C 0.878 177.755 176.870 0.011 0.000 1.133 233 L CA -0.334 54.518 54.840 0.019 0.000 0.812 233 L CB 1.252 43.332 42.059 0.034 0.000 1.125 233 L HN 0.755 nan 8.230 nan 0.000 0.452 234 A N 3.858 126.684 122.820 0.010 0.000 2.450 234 A HA 0.319 4.644 4.320 0.007 0.000 0.255 234 A C -1.669 175.915 177.584 -0.000 0.000 1.096 234 A CA -1.125 50.913 52.037 0.002 0.000 0.778 234 A CB 0.113 19.116 19.000 0.005 0.000 1.031 234 A HN 0.607 nan 8.150 nan 0.000 0.494 235 P HA -0.176 nan 4.420 nan 0.000 0.216 235 P C 0.513 177.803 177.300 -0.017 0.000 1.150 235 P CA 1.498 64.585 63.100 -0.021 0.000 0.843 235 P CB 0.206 31.884 31.700 -0.037 0.000 0.787 236 D N -1.396 118.997 120.400 -0.012 0.000 2.219 236 D HA -0.157 4.488 4.640 0.007 0.000 0.205 236 D C 2.015 178.315 176.300 0.001 0.000 0.970 236 D CA 0.958 54.953 54.000 -0.008 0.000 0.851 236 D CB -0.484 40.313 40.800 -0.004 0.000 0.943 236 D HN 0.158 nan 8.370 nan 0.000 0.488 237 Q N 0.639 120.445 119.800 0.011 0.000 2.046 237 Q HA -0.089 4.256 4.340 0.007 0.000 0.200 237 Q C 1.976 177.998 176.000 0.037 0.000 0.975 237 Q CA 1.224 57.043 55.803 0.026 0.000 0.836 237 Q CB -0.412 28.346 28.738 0.032 0.000 0.896 237 Q HN 0.096 nan 8.270 nan 0.000 0.428 238 V N -0.287 119.648 119.914 0.035 0.000 2.343 238 V HA -0.235 3.889 4.120 0.007 0.000 0.247 238 V C 2.324 178.398 176.094 -0.034 0.000 1.051 238 V CA 1.577 63.905 62.300 0.046 0.000 1.036 238 V CB -0.600 31.248 31.823 0.041 0.000 0.654 238 V HN 0.270 nan 8.190 nan 0.000 0.451 239 V N -0.064 119.823 119.914 -0.044 0.000 2.287 239 V HA -0.297 3.828 4.120 0.007 0.000 0.248 239 V C 2.610 178.679 176.094 -0.042 0.000 1.053 239 V CA 2.222 64.485 62.300 -0.062 0.000 1.027 239 V CB -0.788 31.009 31.823 -0.043 0.000 0.646 239 V HN 0.488 nan 8.190 nan 0.000 0.447 240 R N -0.245 120.248 120.500 -0.013 0.000 2.083 240 R HA -0.213 4.131 4.340 0.007 0.000 0.237 240 R C 2.316 178.621 176.300 0.008 0.000 1.137 240 R CA 1.941 58.044 56.100 0.005 0.000 0.951 240 R CB -0.377 29.935 30.300 0.020 0.000 0.851 240 R HN 0.631 nan 8.270 nan 0.000 0.434 241 E N 0.660 120.869 120.200 0.015 0.000 2.051 241 E HA -0.179 4.176 4.350 0.007 0.000 0.192 241 E C 2.140 178.661 176.600 -0.131 0.000 0.991 241 E CA 1.053 57.480 56.400 0.044 0.000 0.799 241 E CB -0.128 29.691 29.700 0.197 0.000 0.748 241 E HN 0.258 nan 8.360 nan 0.000 0.449 242 L N 0.483 121.513 121.223 -0.322 0.000 2.012 242 L HA -0.229 4.115 4.340 0.007 0.000 0.210 242 L C 2.521 179.397 176.870 0.010 0.000 1.073 242 L CA 0.942 55.583 54.840 -0.333 0.000 0.748 242 L CB -0.532 41.324 42.059 -0.338 0.000 0.891 242 L HN 0.058 nan 8.230 nan 0.000 0.431 243 V N -0.245 119.675 119.914 0.009 0.000 2.287 243 V HA -0.326 3.798 4.120 0.007 0.000 0.248 243 V C 2.664 178.787 176.094 0.049 0.000 1.053 243 V CA 1.996 64.325 62.300 0.048 0.000 1.027 243 V CB -0.704 31.134 31.823 0.026 0.000 0.646 243 V HN 0.461 nan 8.190 nan 0.000 0.447 244 R N -0.158 120.367 120.500 0.042 0.000 2.152 244 R HA -0.121 4.224 4.340 0.007 0.000 0.232 244 R C 2.109 178.453 176.300 0.073 0.000 1.117 244 R CA 1.599 57.732 56.100 0.054 0.000 0.981 244 R CB -0.161 30.178 30.300 0.064 0.000 0.870 244 R HN 0.481 nan 8.270 nan 0.000 0.451 245 S N -1.103 114.656 115.700 0.098 0.000 2.603 245 S HA 0.126 4.601 4.470 0.007 0.000 0.220 245 S C 0.947 175.577 174.600 0.049 0.000 0.967 245 S CA 0.690 58.974 58.200 0.140 0.000 0.920 245 S CB 0.875 64.234 63.200 0.266 0.000 0.773 245 S HN 0.712 nan 8.310 nan 0.000 0.529 246 G N 0.541 109.351 108.800 0.016 0.000 2.179 246 G HA2 -0.206 3.758 3.960 0.007 0.000 0.220 246 G HA3 -0.206 3.758 3.960 0.007 0.000 0.220 246 G C -0.015 174.792 174.900 -0.154 0.000 0.990 246 G CA -0.630 44.417 45.100 -0.087 0.000 0.646 246 G HN 0.408 nan 8.290 nan 0.000 0.517 247 F N 1.628 121.579 119.950 0.003 0.000 2.382 247 F HA 0.538 5.069 4.527 0.007 0.000 0.331 247 F C 0.389 176.191 175.800 0.003 0.000 1.121 247 F CA -0.424 57.586 58.000 0.016 0.000 1.183 247 F CB 0.844 39.862 39.000 0.030 0.000 1.207 247 F HN -0.126 nan 8.300 nan 0.000 0.555 248 D N 1.603 122.130 120.400 0.210 0.000 2.317 248 D HA 0.279 4.923 4.640 0.007 0.000 0.234 248 D C -0.654 175.719 176.300 0.122 0.000 1.112 248 D CA -0.118 53.958 54.000 0.126 0.000 0.840 248 D CB 1.503 42.352 40.800 0.082 0.000 1.078 248 D HN 0.047 nan 8.370 nan 0.000 0.486 249 V N 4.475 124.429 119.914 0.067 0.000 2.389 249 V HA 0.103 4.227 4.120 0.007 0.000 0.264 249 V C 1.591 177.696 176.094 0.018 0.000 1.049 249 V CA -0.211 62.102 62.300 0.021 0.000 0.932 249 V CB 0.439 32.251 31.823 -0.018 0.000 1.011 249 V HN 0.521 nan 8.190 nan 0.000 0.475 250 I N 2.061 122.642 120.570 0.019 0.000 3.968 250 I HA 0.719 4.893 4.170 0.007 0.000 0.328 250 I C 0.658 176.778 176.117 0.006 0.000 1.290 250 I CA 0.192 61.503 61.300 0.018 0.000 1.163 250 I CB 0.409 38.427 38.000 0.030 0.000 1.024 250 I HN 0.532 nan 8.210 nan 0.000 0.413 251 A N 1.082 123.899 122.820 -0.005 0.000 2.594 251 A HA 0.731 5.056 4.320 0.007 0.000 0.296 251 A C -1.509 176.062 177.584 -0.022 0.000 1.061 251 A CA -0.522 51.508 52.037 -0.010 0.000 0.689 251 A CB 1.373 20.369 19.000 -0.007 0.000 1.280 251 A HN 0.328 nan 8.150 nan 0.000 0.406 252 Q N 0.602 120.392 119.800 -0.017 0.000 2.269 252 Q HA 0.593 4.937 4.340 0.007 0.000 0.263 252 Q C -1.466 174.533 176.000 -0.001 0.000 0.983 252 Q CA -0.474 55.318 55.803 -0.018 0.000 0.777 252 Q CB 2.578 31.302 28.738 -0.023 0.000 1.273 252 Q HN 0.621 nan 8.270 nan 0.000 0.440 253 T N 2.963 117.529 114.554 0.019 0.000 2.864 253 T HA 0.431 4.785 4.350 0.007 0.000 0.299 253 T C -2.623 172.142 174.700 0.108 0.000 1.011 253 T CA -1.625 60.505 62.100 0.050 0.000 0.975 253 T CB 1.174 70.068 68.868 0.044 0.000 0.962 253 T HN 0.211 nan 8.240 nan 0.000 0.448 254 P HA 0.489 nan 4.420 nan 0.000 0.271 254 P C -0.881 176.495 177.300 0.126 0.000 1.218 254 P CA -0.397 62.712 63.100 0.015 0.000 0.780 254 P CB 0.257 31.945 31.700 -0.020 0.000 0.901 255 F N -0.791 119.134 119.950 -0.042 0.000 2.693 255 F HA 0.785 5.317 4.527 0.009 0.000 0.309 255 F C -1.532 174.252 175.800 -0.027 0.000 1.129 255 F CA -1.839 56.139 58.000 -0.037 0.000 0.948 255 F CB 0.728 39.698 39.000 -0.050 0.000 1.315 255 F HN 0.314 nan 8.300 nan 0.000 0.447 256 A N 1.251 124.167 122.820 0.160 0.000 2.289 256 A HA 0.513 4.837 4.320 0.007 0.000 0.298 256 A C 0.919 178.607 177.584 0.174 0.000 1.208 256 A CA 0.010 52.079 52.037 0.054 0.000 0.845 256 A CB 0.373 19.405 19.000 0.053 0.000 1.125 256 A HN 1.243 nan 8.150 nan 0.000 0.517 257 S N 2.401 118.129 115.700 0.047 0.000 2.399 257 S HA -0.039 4.436 4.470 0.007 0.000 0.231 257 S C 1.184 175.854 174.600 0.116 0.000 1.022 257 S CA 1.101 59.383 58.200 0.136 0.000 0.983 257 S CB -0.190 63.033 63.200 0.038 0.000 0.803 257 S HN 1.270 nan 8.310 nan 0.000 0.480 258 G N 0.015 108.855 108.800 0.065 0.000 4.178 258 G HA2 0.492 4.456 3.960 0.007 0.000 0.287 258 G HA3 0.492 4.456 3.960 0.007 0.000 0.287 258 G C 0.936 175.865 174.900 0.048 0.000 1.293 258 G CA -0.238 44.890 45.100 0.046 0.000 1.393 258 G HN 0.896 nan 8.290 nan 0.000 0.623 259 G N -0.663 108.182 108.800 0.075 0.000 2.271 259 G HA2 0.099 4.063 3.960 0.007 0.000 0.283 259 G HA3 0.099 4.063 3.960 0.007 0.000 0.283 259 G C 0.568 175.495 174.900 0.045 0.000 1.002 259 G CA 1.054 46.191 45.100 0.062 0.000 0.701 259 G HN 1.932 nan 8.290 nan 0.000 0.528 260 A N -2.894 119.950 122.820 0.039 0.000 2.586 260 A HA 0.887 5.211 4.320 0.007 0.000 0.296 260 A C 0.731 178.323 177.584 0.015 0.000 1.040 260 A CA 1.143 53.194 52.037 0.024 0.000 0.701 260 A CB 0.439 19.448 19.000 0.015 0.000 1.277 260 A HN 2.446 nan 8.150 nan 0.000 0.413 261 G N 0.357 109.162 108.800 0.008 0.000 2.447 261 G HA2 0.251 4.216 3.960 0.007 0.000 0.220 261 G HA3 0.251 4.216 3.960 0.007 0.000 0.220 261 G C -0.087 174.810 174.900 -0.005 0.000 1.261 261 G CA -0.069 45.030 45.100 -0.001 0.000 1.000 261 G HN 1.362 nan 8.290 nan 0.000 0.515 262 R N 0.856 121.347 120.500 -0.014 0.000 2.522 262 R HA 0.216 4.560 4.340 0.007 0.000 0.284 262 R C 0.360 176.639 176.300 -0.036 0.000 1.032 262 R CA 0.157 56.243 56.100 -0.023 0.000 1.049 262 R CB 0.079 30.363 30.300 -0.028 0.000 0.956 262 R HN 0.434 nan 8.270 nan 0.000 0.422 263 K N 3.609 123.985 120.400 -0.039 0.000 2.351 263 K HA -0.042 4.282 4.320 0.007 0.000 0.287 263 K C -0.003 176.525 176.600 -0.119 0.000 1.068 263 K CA 0.191 56.436 56.287 -0.070 0.000 0.998 263 K CB 0.337 32.809 32.500 -0.046 0.000 0.968 263 K HN 0.555 nan 8.250 nan 0.000 0.464 264 D N 3.469 123.767 120.400 -0.170 0.000 2.424 264 D HA 0.091 4.735 4.640 0.007 0.000 0.220 264 D C 0.003 176.146 176.300 -0.263 0.000 1.150 264 D CA -0.149 53.749 54.000 -0.169 0.000 0.831 264 D CB 0.203 40.934 40.800 -0.114 0.000 0.981 264 D HN 0.302 nan 8.370 nan 0.000 0.500 265 M N 0.008 119.352 119.600 -0.427 0.000 2.534 265 M HA 0.396 4.881 4.480 0.007 0.000 0.280 265 M C -2.205 173.722 176.300 -0.621 0.000 1.217 265 M CA -0.667 54.254 55.300 -0.632 0.000 0.893 265 M CB 2.846 34.764 32.600 -1.136 0.000 1.730 265 M HN -0.234 nan 8.290 nan 0.000 0.483 266 V N 3.456 123.152 119.914 -0.365 0.000 2.656 266 V HA 0.549 4.673 4.120 0.007 0.000 0.307 266 V C -1.267 174.860 176.094 0.054 0.000 1.051 266 V CA -0.846 61.382 62.300 -0.120 0.000 0.893 266 V CB 2.069 33.847 31.823 -0.075 0.000 0.999 266 V HN 0.651 nan 8.190 nan 0.000 0.426 267 L N 5.748 127.075 121.223 0.173 0.000 2.262 267 L HA 0.570 4.914 4.340 0.007 0.000 0.288 267 L C -0.511 176.333 176.870 -0.043 0.000 1.035 267 L CA 0.012 54.880 54.840 0.047 0.000 0.820 267 L CB 1.483 43.506 42.059 -0.060 0.000 1.204 267 L HN 0.467 nan 8.230 nan 0.000 0.424 268 V N 5.419 125.281 119.914 -0.087 0.000 2.427 268 V HA 0.388 4.513 4.120 0.007 0.000 0.286 268 V C 0.017 176.033 176.094 -0.130 0.000 1.034 268 V CA -0.764 61.471 62.300 -0.109 0.000 0.893 268 V CB 1.878 33.613 31.823 -0.147 0.000 0.982 268 V HN 0.685 nan 8.190 nan 0.000 0.452 269 E N 3.063 123.210 120.200 -0.089 0.000 2.171 269 E HA 0.764 5.118 4.350 0.007 0.000 0.271 269 E C -0.532 176.040 176.600 -0.047 0.000 0.916 269 E CA -0.517 55.849 56.400 -0.057 0.000 0.774 269 E CB 2.158 31.851 29.700 -0.012 0.000 1.128 269 E HN 0.819 nan 8.360 nan 0.000 0.403 270 A N 2.222 125.024 122.820 -0.030 0.000 2.435 270 A HA 0.752 5.077 4.320 0.007 0.000 0.304 270 A C -0.628 177.094 177.584 0.229 0.000 1.064 270 A CA -0.721 51.345 52.037 0.048 0.000 0.727 270 A CB 1.313 20.228 19.000 -0.141 0.000 1.284 270 A HN 0.441 nan 8.150 nan 0.000 0.415 271 V N -0.792 119.305 119.914 0.305 0.000 3.102 271 V HA 0.764 4.888 4.120 0.007 0.000 0.312 271 V C -0.396 175.886 176.094 0.314 0.000 1.135 271 V CA -1.296 61.191 62.300 0.313 0.000 1.022 271 V CB 1.888 33.807 31.823 0.160 0.000 1.056 271 V HN 0.781 nan 8.190 nan 0.000 0.436 272 M N 2.805 122.499 119.600 0.156 0.000 2.185 272 M HA 0.471 4.956 4.480 0.007 0.000 0.357 272 M C -2.492 173.808 176.300 0.001 0.000 1.260 272 M CA -2.419 52.865 55.300 -0.027 0.000 1.124 272 M CB 0.185 32.730 32.600 -0.092 0.000 1.600 272 M HN 0.550 nan 8.290 nan 0.000 0.467 273 P HA 0.312 nan 4.420 nan 0.000 0.271 273 P C 0.002 177.293 177.300 -0.015 0.000 1.226 273 P CA -0.071 63.026 63.100 -0.005 0.000 0.765 273 P CB 0.439 32.133 31.700 -0.010 0.000 0.835 274 G N 0.000 108.798 108.800 -0.003 0.000 5.446 274 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 274 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 274 G CA 0.000 45.096 45.100 -0.007 0.000 0.502 274 G HN 0.000 nan 8.290 nan 0.000 0.925