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 2zdg_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRVLLIAGGV SPEHEVSLLS AEGVLRHIPF PTDLAVIAQD GRWLLGEKAL DATA SEQUENCE TALEAKAAPE GEHPFPPPLS WERYDVVFPL LHGRFGEDGT VQGFLELLGK DATA SEQUENCE PYVGAGVAAS ALCMDKDLSK RVLAQAGVPV VPWVAVRKGE PPVVPFDPPF DATA SEQUENCE FVKPANTGSS VGISRVERFQ DLEAALALAF RYDEKAVVEK ALSPVRELEV DATA SEQUENCE GVLGNVFGEA SPVGEVRXXX XXXXXXXXXX XXXXELLIPA PLDPGTQETV DATA SEQUENCE QELALKAYKV LGVRGMARVD FFLAEGELYL NELNTIPGFT PTSMYPRLFE DATA SEQUENCE AGGVAYPELL RRLVELALT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1 M CA 0.000 55.258 55.300 -0.071 0.000 0.988 1 M CB 0.000 32.471 32.600 -0.216 0.000 1.302 2 R N 3.296 123.796 120.500 -0.001 0.000 2.534 2 R HA 0.924 5.264 4.340 0.001 0.000 0.301 2 R C -1.639 174.775 176.300 0.190 0.000 0.961 2 R CA -0.692 55.461 56.100 0.088 0.000 0.871 2 R CB 1.867 32.171 30.300 0.008 0.000 1.170 2 R HN 0.617 nan 8.270 nan 0.000 0.446 3 V N 5.188 125.246 119.914 0.241 0.000 2.513 3 V HA 0.384 4.504 4.120 0.001 0.000 0.299 3 V C -0.669 175.539 176.094 0.190 0.000 1.035 3 V CA -0.905 61.527 62.300 0.220 0.000 0.889 3 V CB 1.681 33.610 31.823 0.178 0.000 0.988 3 V HN 0.575 nan 8.190 nan 0.000 0.440 4 L N 5.801 127.026 121.223 0.003 0.000 2.280 4 L HA 0.623 4.964 4.340 0.001 0.000 0.287 4 L C -0.812 176.016 176.870 -0.070 0.000 1.023 4 L CA -0.170 54.482 54.840 -0.313 0.000 0.819 4 L CB 1.200 42.830 42.059 -0.715 0.000 1.212 4 L HN 0.619 nan 8.230 nan 0.000 0.420 5 L N 6.653 127.829 121.223 -0.079 0.000 2.282 5 L HA 0.593 4.934 4.340 0.001 0.000 0.288 5 L C -0.829 175.972 176.870 -0.115 0.000 1.033 5 L CA 0.047 54.832 54.840 -0.091 0.000 0.807 5 L CB 1.050 43.020 42.059 -0.149 0.000 1.209 5 L HN 0.546 nan 8.230 nan 0.000 0.423 6 I N 5.596 126.100 120.570 -0.110 0.000 2.382 6 I HA 0.683 4.854 4.170 0.001 0.000 0.286 6 I C -0.054 175.930 176.117 -0.221 0.000 1.002 6 I CA -0.357 60.858 61.300 -0.140 0.000 1.135 6 I CB 1.436 39.401 38.000 -0.059 0.000 1.288 6 I HN 0.797 nan 8.210 nan 0.000 0.448 7 A N 4.206 126.875 122.820 -0.252 0.000 2.437 7 A HA 1.005 5.325 4.320 0.001 0.000 0.288 7 A C 0.344 177.750 177.584 -0.296 0.000 1.201 7 A CA 0.013 51.882 52.037 -0.279 0.000 0.795 7 A CB 1.319 20.168 19.000 -0.252 0.000 1.359 7 A HN 0.997 nan 8.150 nan 0.000 0.435 8 G N -0.902 107.693 108.800 -0.342 0.000 2.848 8 G HA2 0.528 4.489 3.960 0.001 0.000 0.246 8 G HA3 0.528 4.489 3.960 0.001 0.000 0.246 8 G C 1.384 176.201 174.900 -0.139 0.000 1.374 8 G CA 0.896 45.747 45.100 -0.415 0.000 0.982 8 G HN 3.149 nan 8.290 nan 0.000 0.563 9 G N -2.633 106.176 108.800 0.015 0.000 2.619 9 G HA2 0.333 4.293 3.960 0.001 0.000 0.686 9 G HA3 0.333 4.293 3.960 0.001 0.000 0.686 9 G C 0.843 175.827 174.900 0.141 0.000 1.256 9 G CA 1.197 46.317 45.100 0.034 0.000 0.826 9 G HN 2.304 nan 8.290 nan 0.000 0.619 10 V N -1.458 118.499 119.914 0.071 0.000 3.541 10 V HA 0.459 4.579 4.120 0.001 0.000 0.267 10 V C 1.645 177.798 176.094 0.098 0.000 1.213 10 V CA 1.546 63.876 62.300 0.050 0.000 1.149 10 V CB -0.457 31.375 31.823 0.014 0.000 0.822 10 V HN 2.090 nan 8.190 nan 0.000 0.462 11 S N 0.718 116.500 115.700 0.137 0.000 2.624 11 S HA 0.388 4.859 4.470 0.001 0.000 0.263 11 S C -1.333 173.335 174.600 0.112 0.000 1.287 11 S CA -0.533 57.740 58.200 0.122 0.000 0.990 11 S CB 0.675 63.946 63.200 0.118 0.000 0.950 11 S HN 0.243 nan 8.310 nan 0.000 0.561 12 P HA 0.020 nan 4.420 nan 0.000 0.225 12 P C 0.198 177.556 177.300 0.097 0.000 1.148 12 P CA 0.901 64.043 63.100 0.070 0.000 0.779 12 P CB -0.085 31.633 31.700 0.030 0.000 0.780 13 E N -2.042 118.228 120.200 0.117 0.000 2.403 13 E HA -0.070 4.280 4.350 0.001 0.000 0.187 13 E C 1.578 178.278 176.600 0.167 0.000 1.073 13 E CA -0.130 56.355 56.400 0.142 0.000 0.888 13 E CB -0.722 29.079 29.700 0.169 0.000 1.035 13 E HN 0.402 nan 8.360 nan 0.000 0.471 14 H N 1.538 120.639 119.070 0.052 0.000 2.289 14 H HA -0.175 4.381 4.556 0.001 0.000 0.296 14 H C 1.040 176.378 175.328 0.017 0.000 1.091 14 H CA 1.933 57.991 56.048 0.017 0.000 1.274 14 H CB 0.565 30.329 29.762 0.002 0.000 1.364 14 H HN 0.181 nan 8.280 nan 0.000 0.490 15 E N -0.079 120.172 120.200 0.086 0.000 2.150 15 E HA -0.070 4.281 4.350 0.001 0.000 0.193 15 E C 2.577 179.174 176.600 -0.004 0.000 0.985 15 E CA 0.877 57.289 56.400 0.019 0.000 0.814 15 E CB -0.002 29.751 29.700 0.088 0.000 0.752 15 E HN 0.230 nan 8.360 nan 0.000 0.466 16 V N 0.452 120.396 119.914 0.050 0.000 2.427 16 V HA -0.247 3.874 4.120 0.001 0.000 0.248 16 V C 2.321 178.489 176.094 0.123 0.000 1.051 16 V CA 1.833 64.185 62.300 0.087 0.000 1.048 16 V CB -0.493 31.394 31.823 0.106 0.000 0.666 16 V HN 0.315 nan 8.190 nan 0.000 0.456 17 S N -0.282 115.465 115.700 0.078 0.000 2.368 17 S HA -0.130 4.340 4.470 0.001 0.000 0.225 17 S C 1.950 176.470 174.600 -0.133 0.000 1.030 17 S CA 1.512 59.655 58.200 -0.095 0.000 0.999 17 S CB -0.291 62.730 63.200 -0.298 0.000 0.844 17 S HN 0.528 nan 8.310 nan 0.000 0.459 18 L N 0.793 121.912 121.223 -0.172 0.000 2.131 18 L HA -0.057 4.284 4.340 0.001 0.000 0.210 18 L C 2.461 179.296 176.870 -0.059 0.000 1.092 18 L CA 0.884 55.635 54.840 -0.149 0.000 0.759 18 L CB -0.493 41.459 42.059 -0.180 0.000 0.903 18 L HN 0.351 nan 8.230 nan 0.000 0.435 19 L N -1.041 120.171 121.223 -0.018 0.000 2.017 19 L HA -0.206 4.134 4.340 0.001 0.000 0.208 19 L C 2.749 179.647 176.870 0.046 0.000 1.073 19 L CA 1.190 56.041 54.840 0.019 0.000 0.745 19 L CB -0.409 41.669 42.059 0.031 0.000 0.894 19 L HN 0.167 nan 8.230 nan 0.000 0.432 20 S N -0.260 115.486 115.700 0.077 0.000 2.370 20 S HA -0.213 4.257 4.470 0.001 0.000 0.226 20 S C 2.129 176.774 174.600 0.075 0.000 1.033 20 S CA 1.265 59.547 58.200 0.138 0.000 1.011 20 S CB -0.324 63.002 63.200 0.211 0.000 0.852 20 S HN 0.515 nan 8.310 nan 0.000 0.457 21 A N 1.149 123.952 122.820 -0.029 0.000 1.933 21 A HA -0.157 4.163 4.320 0.001 0.000 0.218 21 A C 2.009 179.594 177.584 0.000 0.000 1.175 21 A CA 1.714 53.703 52.037 -0.080 0.000 0.628 21 A CB -0.562 18.360 19.000 -0.130 0.000 0.814 21 A HN 0.614 nan 8.150 nan 0.000 0.444 22 E N -0.523 119.694 120.200 0.028 0.000 2.077 22 E HA -0.123 4.227 4.350 0.001 0.000 0.193 22 E C 2.047 178.726 176.600 0.131 0.000 0.989 22 E CA 1.079 57.515 56.400 0.061 0.000 0.800 22 E CB -0.403 29.325 29.700 0.047 0.000 0.746 22 E HN 0.513 nan 8.360 nan 0.000 0.452 23 G N 0.256 109.150 108.800 0.156 0.000 2.408 23 G HA2 -0.198 3.763 3.960 0.001 0.000 0.217 23 G HA3 -0.198 3.763 3.960 0.001 0.000 0.217 23 G C 1.630 176.787 174.900 0.429 0.000 1.150 23 G CA 0.814 46.064 45.100 0.249 0.000 0.776 23 G HN 0.222 nan 8.290 nan 0.000 0.542 24 V N 0.844 120.940 119.914 0.304 0.000 2.358 24 V HA -0.060 4.060 4.120 0.001 0.000 0.246 24 V C 2.846 179.044 176.094 0.173 0.000 1.047 24 V CA 1.142 63.565 62.300 0.204 0.000 1.035 24 V CB -0.395 31.412 31.823 -0.026 0.000 0.658 24 V HN 0.317 nan 8.190 nan 0.000 0.452 25 L N -0.115 121.183 121.223 0.125 0.000 2.187 25 L HA -0.142 4.199 4.340 0.001 0.000 0.213 25 L C 2.633 179.581 176.870 0.131 0.000 1.100 25 L CA 1.166 56.067 54.840 0.101 0.000 0.765 25 L CB -0.356 41.739 42.059 0.060 0.000 0.904 25 L HN 0.321 nan 8.230 nan 0.000 0.437 26 R N -1.329 119.303 120.500 0.219 0.000 2.246 26 R HA 0.015 4.356 4.340 0.001 0.000 0.199 26 R C 1.116 177.424 176.300 0.013 0.000 0.984 26 R CA 0.730 56.912 56.100 0.137 0.000 1.015 26 R CB -0.496 29.903 30.300 0.166 0.000 0.930 26 R HN 0.461 nan 8.270 nan 0.000 0.475 27 H N -0.918 118.234 119.070 0.136 0.000 3.241 27 H HA 0.319 4.875 4.556 0.001 0.000 0.260 27 H C 0.334 175.659 175.328 -0.006 0.000 1.084 27 H CA -0.684 55.424 56.048 0.099 0.000 1.203 27 H CB 0.739 30.642 29.762 0.236 0.000 1.524 27 H HN -0.046 nan 8.280 nan 0.000 0.521 28 I N 5.250 125.889 120.570 0.115 0.000 2.662 28 I HA 0.015 4.185 4.170 0.001 0.000 0.285 28 I C -1.481 174.616 176.117 -0.033 0.000 1.161 28 I CA -1.561 59.777 61.300 0.064 0.000 1.415 28 I CB 1.007 39.105 38.000 0.164 0.000 1.385 28 I HN 0.039 nan 8.210 nan 0.000 0.552 29 P HA 0.129 nan 4.420 nan 0.000 0.254 29 P C -1.049 175.843 177.300 -0.680 0.000 1.631 29 P CA 0.362 63.192 63.100 -0.451 0.000 0.861 29 P CB -0.473 30.896 31.700 -0.553 0.000 1.663 30 F N -0.466 119.512 119.950 0.048 0.000 2.613 30 F HA 0.451 4.978 4.527 0.000 0.000 0.310 30 F C -2.409 173.426 175.800 0.057 0.000 1.085 30 F CA -3.000 55.030 58.000 0.050 0.000 0.945 30 F CB 0.718 39.754 39.000 0.060 0.000 1.298 30 F HN -0.319 nan 8.300 nan 0.000 0.455 31 P HA 0.234 nan 4.420 nan 0.000 0.267 31 P C -0.926 176.491 177.300 0.196 0.000 1.209 31 P CA 0.234 63.434 63.100 0.167 0.000 0.763 31 P CB 0.563 32.337 31.700 0.124 0.000 0.816 32 T N 2.688 117.342 114.554 0.167 0.000 2.921 32 T HA 0.320 4.670 4.350 0.001 0.000 0.297 32 T C -0.938 173.845 174.700 0.139 0.000 1.013 32 T CA -0.647 61.557 62.100 0.173 0.000 0.990 32 T CB 1.278 70.240 68.868 0.156 0.000 1.023 32 T HN 0.194 nan 8.240 nan 0.000 0.447 33 D N 1.761 122.258 120.400 0.163 0.000 2.228 33 D HA 0.541 5.181 4.640 0.001 0.000 0.247 33 D C -0.654 175.647 176.300 0.001 0.000 0.995 33 D CA -0.554 53.512 54.000 0.110 0.000 0.903 33 D CB 2.259 43.192 40.800 0.221 0.000 1.205 33 D HN 0.264 nan 8.370 nan 0.000 0.459 34 L N 1.006 122.225 121.223 -0.008 0.000 2.325 34 L HA 0.681 5.021 4.340 0.001 0.000 0.278 34 L C -1.090 175.752 176.870 -0.046 0.000 1.023 34 L CA -0.508 54.305 54.840 -0.045 0.000 0.811 34 L CB 1.466 43.505 42.059 -0.034 0.000 1.249 34 L HN 0.428 nan 8.230 nan 0.000 0.431 35 A N 4.639 127.421 122.820 -0.064 0.000 2.356 35 A HA 0.796 5.116 4.320 0.001 0.000 0.310 35 A C -1.482 176.050 177.584 -0.086 0.000 1.075 35 A CA -0.547 51.483 52.037 -0.012 0.000 0.746 35 A CB 1.584 20.624 19.000 0.066 0.000 1.221 35 A HN 0.506 nan 8.150 nan 0.000 0.443 36 V N 3.504 123.378 119.914 -0.067 0.000 2.495 36 V HA 0.396 4.517 4.120 0.001 0.000 0.298 36 V C -0.325 175.614 176.094 -0.258 0.000 1.031 36 V CA -0.304 61.904 62.300 -0.154 0.000 0.871 36 V CB 1.683 33.468 31.823 -0.063 0.000 0.988 36 V HN 0.771 nan 8.190 nan 0.000 0.432 37 I N 4.361 124.681 120.570 -0.417 0.000 2.297 37 I HA 0.507 4.677 4.170 0.001 0.000 0.291 37 I C 0.835 176.881 176.117 -0.118 0.000 1.033 37 I CA -0.216 60.776 61.300 -0.512 0.000 1.253 37 I CB 1.410 39.013 38.000 -0.662 0.000 1.396 37 I HN 0.746 nan 8.210 nan 0.000 0.476 38 A N 5.590 128.390 122.820 -0.033 0.000 2.386 38 A HA 0.148 4.468 4.320 0.001 0.000 0.246 38 A C 1.080 178.625 177.584 -0.065 0.000 1.089 38 A CA -0.114 51.941 52.037 0.030 0.000 0.790 38 A CB 0.327 19.340 19.000 0.021 0.000 1.042 38 A HN 0.822 nan 8.150 nan 0.000 0.497 39 Q N 0.033 119.686 119.800 -0.246 0.000 2.364 39 Q HA -0.163 4.177 4.340 0.001 0.000 0.209 39 Q C 0.488 176.413 176.000 -0.126 0.000 0.977 39 Q CA 1.372 57.004 55.803 -0.284 0.000 0.885 39 Q CB -0.113 28.371 28.738 -0.424 0.000 0.941 39 Q HN 0.903 nan 8.270 nan 0.000 0.464 40 D N -1.288 119.063 120.400 -0.082 0.000 2.340 40 D HA 0.038 4.678 4.640 0.001 0.000 0.220 40 D C 1.222 177.505 176.300 -0.028 0.000 1.039 40 D CA 0.815 54.788 54.000 -0.044 0.000 0.866 40 D CB 0.324 41.110 40.800 -0.024 0.000 0.913 40 D HN 0.270 nan 8.370 nan 0.000 0.523 41 G N 0.484 109.263 108.800 -0.035 0.000 2.258 41 G HA2 -0.302 3.658 3.960 0.001 0.000 0.233 41 G HA3 -0.302 3.658 3.960 0.001 0.000 0.233 41 G C 0.479 175.465 174.900 0.142 0.000 1.006 41 G CA -0.056 45.034 45.100 -0.016 0.000 0.620 41 G HN 0.455 nan 8.290 nan 0.000 0.511 42 R N -0.621 119.970 120.500 0.152 0.000 2.615 42 R HA 0.474 4.814 4.340 0.001 0.000 0.270 42 R C -0.201 176.321 176.300 0.369 0.000 1.081 42 R CA -0.213 56.057 56.100 0.284 0.000 1.154 42 R CB 0.397 30.791 30.300 0.157 0.000 1.063 42 R HN 0.244 nan 8.270 nan 0.000 0.519 43 W N 1.569 122.936 121.300 0.111 0.000 2.509 43 W HA 0.476 5.136 4.660 0.000 0.000 0.351 43 W C -0.557 176.053 176.519 0.152 0.000 1.107 43 W CA -0.445 56.971 57.345 0.119 0.000 1.264 43 W CB 0.577 30.102 29.460 0.107 0.000 1.312 43 W HN 0.202 nan 8.180 nan 0.000 0.608 44 L N 2.900 124.324 121.223 0.334 0.000 2.381 44 L HA 0.542 4.883 4.340 0.001 0.000 0.274 44 L C -0.535 176.449 176.870 0.189 0.000 0.988 44 L CA -0.757 54.225 54.840 0.236 0.000 0.824 44 L CB 1.098 43.233 42.059 0.127 0.000 1.263 44 L HN 0.174 nan 8.230 nan 0.000 0.410 45 L N 1.575 122.900 121.223 0.170 0.000 2.303 45 L HA 0.765 5.105 4.340 0.001 0.000 0.266 45 L C 1.141 178.048 176.870 0.061 0.000 1.011 45 L CA -0.428 54.458 54.840 0.077 0.000 0.818 45 L CB 1.661 43.710 42.059 -0.017 0.000 1.326 45 L HN 0.812 nan 8.230 nan 0.000 0.435 46 G N 0.612 109.433 108.800 0.035 0.000 2.672 46 G HA2 -0.318 3.642 3.960 0.001 0.000 0.324 46 G HA3 -0.318 3.642 3.960 0.001 0.000 0.324 46 G C 0.857 175.779 174.900 0.037 0.000 1.286 46 G CA 0.559 45.680 45.100 0.035 0.000 1.004 46 G HN 0.701 nan 8.290 nan 0.000 0.548 47 E N 0.377 120.599 120.200 0.036 0.000 2.070 47 E HA -0.155 4.196 4.350 0.001 0.000 0.197 47 E C 2.647 179.269 176.600 0.036 0.000 1.004 47 E CA 1.881 58.301 56.400 0.033 0.000 0.805 47 E CB -0.343 29.375 29.700 0.029 0.000 0.744 47 E HN 0.452 nan 8.360 nan 0.000 0.451 48 K N 0.731 121.158 120.400 0.046 0.000 2.103 48 K HA -0.103 4.217 4.320 0.001 0.000 0.207 48 K C 1.919 178.546 176.600 0.046 0.000 1.048 48 K CA 1.286 57.603 56.287 0.049 0.000 0.930 48 K CB -0.623 31.917 32.500 0.066 0.000 0.716 48 K HN 0.164 nan 8.250 nan 0.000 0.444 49 A N 0.557 123.405 122.820 0.047 0.000 1.855 49 A HA -0.109 4.211 4.320 0.001 0.000 0.215 49 A C 2.159 179.753 177.584 0.016 0.000 1.191 49 A CA 1.339 53.394 52.037 0.031 0.000 0.613 49 A CB -0.695 18.321 19.000 0.026 0.000 0.829 49 A HN 0.203 nan 8.150 nan 0.000 0.442 50 L N -0.586 120.648 121.223 0.018 0.000 2.083 50 L HA -0.171 4.169 4.340 0.001 0.000 0.209 50 L C 2.747 179.626 176.870 0.016 0.000 1.083 50 L CA 1.713 56.562 54.840 0.014 0.000 0.752 50 L CB -0.941 41.129 42.059 0.019 0.000 0.899 50 L HN 0.358 nan 8.230 nan 0.000 0.433 51 T N -0.096 114.470 114.554 0.021 0.000 2.746 51 T HA -0.155 4.196 4.350 0.001 0.000 0.267 51 T C 2.037 176.750 174.700 0.021 0.000 1.039 51 T CA 1.313 63.426 62.100 0.021 0.000 1.142 51 T CB -0.195 68.687 68.868 0.023 0.000 0.866 51 T HN 0.456 nan 8.240 nan 0.000 0.444 52 A N 1.185 124.020 122.820 0.024 0.000 1.933 52 A HA -0.019 4.301 4.320 0.001 0.000 0.218 52 A C 2.238 179.832 177.584 0.016 0.000 1.175 52 A CA 1.279 53.333 52.037 0.028 0.000 0.628 52 A CB -0.825 18.195 19.000 0.034 0.000 0.814 52 A HN 0.415 nan 8.150 nan 0.000 0.444 53 L N -0.145 121.079 121.223 0.002 0.000 2.012 53 L HA -0.179 4.161 4.340 0.001 0.000 0.210 53 L C 2.286 179.158 176.870 0.003 0.000 1.073 53 L CA 2.340 57.174 54.840 -0.010 0.000 0.748 53 L CB -0.508 41.544 42.059 -0.012 0.000 0.891 53 L HN 0.348 nan 8.230 nan 0.000 0.431 54 E N 0.009 120.215 120.200 0.011 0.000 2.085 54 E HA -0.209 4.142 4.350 0.001 0.000 0.194 54 E C 2.198 178.808 176.600 0.017 0.000 0.994 54 E CA 1.357 57.766 56.400 0.015 0.000 0.801 54 E CB -0.577 29.133 29.700 0.016 0.000 0.743 54 E HN 0.644 nan 8.360 nan 0.000 0.453 55 A N 0.715 123.547 122.820 0.021 0.000 2.070 55 A HA -0.147 4.173 4.320 0.001 0.000 0.220 55 A C 0.925 178.527 177.584 0.030 0.000 1.159 55 A CA 1.359 53.412 52.037 0.026 0.000 0.656 55 A CB -0.273 18.745 19.000 0.031 0.000 0.800 55 A HN 0.301 nan 8.150 nan 0.000 0.453 56 K N -3.132 117.283 120.400 0.025 0.000 3.339 56 K HA -0.144 4.176 4.320 0.001 0.000 0.299 56 K C -0.162 176.469 176.600 0.052 0.000 1.270 56 K CA 0.467 56.768 56.287 0.023 0.000 0.875 56 K CB -2.370 30.144 32.500 0.023 0.000 1.298 56 K HN 1.554 nan 8.250 nan 0.000 0.485 57 A N -0.518 122.355 122.820 0.089 0.000 2.541 57 A HA 0.585 4.905 4.320 0.001 0.000 0.312 57 A C -1.439 176.256 177.584 0.186 0.000 1.025 57 A CA -0.089 52.074 52.037 0.209 0.000 0.887 57 A CB 1.022 20.111 19.000 0.148 0.000 1.189 57 A HN 0.524 nan 8.150 nan 0.000 0.377 58 A N 4.280 127.283 122.820 0.305 0.000 2.536 58 A HA 0.765 5.085 4.320 0.001 0.000 0.329 58 A C -2.114 175.470 177.584 -0.001 0.000 1.321 58 A CA -1.574 50.540 52.037 0.127 0.000 0.804 58 A CB 0.479 19.562 19.000 0.137 0.000 1.126 58 A HN 0.388 nan 8.150 nan 0.000 0.480 59 P HA -0.049 nan 4.420 nan 0.000 0.216 59 P C 0.098 177.365 177.300 -0.056 0.000 1.153 59 P CA 1.354 64.405 63.100 -0.082 0.000 0.848 59 P CB 0.355 32.028 31.700 -0.044 0.000 0.787 60 E N -1.108 119.081 120.200 -0.018 0.000 2.199 60 E HA 0.594 4.945 4.350 0.001 0.000 0.269 60 E C 0.066 176.678 176.600 0.019 0.000 0.899 60 E CA -0.581 55.816 56.400 -0.004 0.000 0.772 60 E CB 1.344 31.042 29.700 -0.003 0.000 1.155 60 E HN -0.071 nan 8.360 nan 0.000 0.408 61 G N 0.792 109.612 108.800 0.034 0.000 2.509 61 G HA2 0.274 4.234 3.960 0.001 0.000 0.328 61 G HA3 0.274 4.234 3.960 0.001 0.000 0.328 61 G C 0.112 175.041 174.900 0.047 0.000 1.194 61 G CA -0.348 44.795 45.100 0.071 0.000 0.967 61 G HN 0.574 nan 8.290 nan 0.000 0.488 62 E N -1.037 119.193 120.200 0.050 0.000 2.057 62 E HA 0.039 4.389 4.350 0.001 0.000 0.191 62 E C -0.130 176.361 176.600 -0.181 0.000 0.959 62 E CA 0.080 56.412 56.400 -0.114 0.000 0.828 62 E CB 0.162 29.724 29.700 -0.230 0.000 0.800 62 E HN 0.601 nan 8.360 nan 0.000 0.460 63 H N 1.705 120.828 119.070 0.089 0.000 2.527 63 H HA 0.263 4.819 4.556 0.001 0.000 0.321 63 H C -2.158 173.214 175.328 0.074 0.000 1.087 63 H CA -2.197 53.879 56.048 0.046 0.000 1.337 63 H CB 0.993 30.747 29.762 -0.012 0.000 1.440 63 H HN 0.178 nan 8.280 nan 0.000 0.490 64 P HA 0.017 nan 4.420 nan 0.000 0.276 64 P C -0.463 176.869 177.300 0.052 0.000 1.252 64 P CA -0.498 62.676 63.100 0.125 0.000 0.802 64 P CB 0.948 32.693 31.700 0.074 0.000 1.035 65 F N 3.485 123.407 119.950 -0.047 0.000 2.495 65 F HA 0.304 4.831 4.527 0.001 0.000 0.365 65 F C -1.600 174.100 175.800 -0.167 0.000 1.090 65 F CA -1.684 56.209 58.000 -0.179 0.000 1.235 65 F CB -0.040 38.908 39.000 -0.087 0.000 1.119 65 F HN 0.200 nan 8.300 nan 0.000 0.562 66 P HA 0.312 nan 4.420 nan 0.000 0.288 66 P C -2.919 173.979 177.300 -0.670 0.000 1.267 66 P CA -1.467 60.843 63.100 -1.318 0.000 0.815 66 P CB 0.928 32.003 31.700 -1.041 0.000 0.989 67 P HA 0.173 nan 4.420 nan 0.000 0.274 67 P C -2.228 174.842 177.300 -0.383 0.000 1.231 67 P CA -1.589 61.163 63.100 -0.581 0.000 0.790 67 P CB -0.210 30.959 31.700 -0.885 0.000 0.951 68 P HA 0.162 nan 4.420 nan 0.000 0.220 68 P C -0.509 176.580 177.300 -0.351 0.000 1.806 68 P CA -0.206 62.732 63.100 -0.270 0.000 0.976 68 P CB -0.108 31.465 31.700 -0.212 0.000 1.952 69 L N 1.181 122.137 121.223 -0.446 0.000 2.325 69 L HA 0.328 4.668 4.340 0.001 0.000 0.279 69 L C 0.426 176.942 176.870 -0.590 0.000 1.054 69 L CA -0.146 54.309 54.840 -0.641 0.000 0.804 69 L CB 1.410 42.794 42.059 -1.126 0.000 1.200 69 L HN -0.073 nan 8.230 nan 0.000 0.436 70 S N 4.774 120.269 115.700 -0.341 0.000 3.919 70 S HA 0.028 4.498 4.470 0.001 0.000 0.245 70 S C 0.696 175.273 174.600 -0.039 0.000 1.344 70 S CA -0.282 57.829 58.200 -0.149 0.000 0.896 70 S CB -0.608 62.535 63.200 -0.096 0.000 1.557 70 S HN 0.716 nan 8.310 nan 0.000 0.468 71 W N 2.172 123.532 121.300 0.099 0.000 2.350 71 W HA -0.188 4.473 4.660 0.001 0.000 0.289 71 W C 2.389 178.979 176.519 0.118 0.000 1.215 71 W CA 0.875 58.307 57.345 0.146 0.000 1.236 71 W CB -0.154 29.311 29.460 0.008 0.000 1.130 71 W HN 0.582 nan 8.180 nan 0.000 0.541 72 E N 1.420 121.749 120.200 0.214 0.000 2.333 72 E HA -0.187 4.164 4.350 0.001 0.000 0.198 72 E C 1.466 178.051 176.600 -0.026 0.000 1.007 72 E CA 1.141 57.593 56.400 0.087 0.000 0.845 72 E CB -0.718 29.004 29.700 0.037 0.000 0.766 72 E HN 0.413 nan 8.360 nan 0.000 0.507 73 R N -0.230 120.172 120.500 -0.163 0.000 2.313 73 R HA 0.105 4.445 4.340 0.001 0.000 0.199 73 R C -0.086 175.785 176.300 -0.716 0.000 0.958 73 R CA 0.265 56.078 56.100 -0.479 0.000 1.047 73 R CB 0.006 29.892 30.300 -0.691 0.000 0.955 73 R HN 0.194 nan 8.270 nan 0.000 0.481 74 Y N -0.961 119.365 120.300 0.044 0.000 2.485 74 Y HA 0.224 4.774 4.550 0.001 0.000 0.345 74 Y C 0.755 176.680 175.900 0.042 0.000 0.998 74 Y CA -1.115 57.014 58.100 0.049 0.000 1.059 74 Y CB 1.634 40.146 38.460 0.087 0.000 1.234 74 Y HN -0.179 nan 8.280 nan 0.000 0.461 75 D N 0.827 121.314 120.400 0.144 0.000 2.355 75 D HA 0.135 4.776 4.640 0.001 0.000 0.206 75 D C -0.456 175.873 176.300 0.049 0.000 1.010 75 D CA 0.972 55.004 54.000 0.054 0.000 0.875 75 D CB 1.128 41.915 40.800 -0.023 0.000 0.966 75 D HN 0.158 nan 8.370 nan 0.000 0.512 76 V N 1.301 121.264 119.914 0.081 0.000 2.851 76 V HA 0.248 4.369 4.120 0.001 0.000 0.307 76 V C -0.389 175.782 176.094 0.128 0.000 1.129 76 V CA -0.856 61.479 62.300 0.058 0.000 0.932 76 V CB 3.031 34.829 31.823 -0.042 0.000 1.024 76 V HN -0.266 nan 8.190 nan 0.000 0.426 77 V N 4.377 124.386 119.914 0.159 0.000 2.483 77 V HA 0.495 4.616 4.120 0.001 0.000 0.295 77 V C -0.850 175.385 176.094 0.234 0.000 1.035 77 V CA -0.498 61.919 62.300 0.194 0.000 0.896 77 V CB 1.735 33.691 31.823 0.222 0.000 0.986 77 V HN 0.695 nan 8.190 nan 0.000 0.447 78 F N 8.231 128.200 119.950 0.031 0.000 2.359 78 F HA 0.544 5.072 4.527 0.000 0.000 0.370 78 F C -2.341 173.439 175.800 -0.034 0.000 1.077 78 F CA -3.526 54.469 58.000 -0.008 0.000 1.136 78 F CB 1.651 40.621 39.000 -0.051 0.000 1.387 78 F HN 0.319 nan 8.300 nan 0.000 0.468 79 P HA 0.056 nan 4.420 nan 0.000 0.260 79 P C -0.083 177.271 177.300 0.090 0.000 1.651 79 P CA -0.181 63.007 63.100 0.146 0.000 1.139 79 P CB 0.896 32.645 31.700 0.082 0.000 1.756 80 L N 5.014 126.161 121.223 -0.126 0.000 2.796 80 L HA 0.264 4.604 4.340 0.001 0.000 0.235 80 L C -0.366 176.273 176.870 -0.386 0.000 1.344 80 L CA -0.077 54.588 54.840 -0.292 0.000 1.245 80 L CB -0.937 40.791 42.059 -0.552 0.000 1.556 80 L HN 0.220 nan 8.230 nan 0.000 0.423 81 L N 0.491 121.550 121.223 -0.275 0.000 2.322 81 L HA 0.444 4.785 4.340 0.001 0.000 0.281 81 L C -0.323 176.423 176.870 -0.207 0.000 1.014 81 L CA -0.648 54.023 54.840 -0.283 0.000 0.815 81 L CB 1.388 43.373 42.059 -0.123 0.000 1.247 81 L HN 0.308 nan 8.230 nan 0.000 0.421 82 H N 1.008 120.082 119.070 0.005 0.000 2.502 82 H HA 0.642 5.198 4.556 0.001 0.000 0.338 82 H C 0.713 176.052 175.328 0.017 0.000 1.155 82 H CA 0.188 56.245 56.048 0.014 0.000 1.237 82 H CB 1.680 31.450 29.762 0.014 0.000 1.534 82 H HN 0.823 nan 8.280 nan 0.000 0.523 83 G N 1.369 110.253 108.800 0.139 0.000 2.552 83 G HA2 -0.299 3.662 3.960 0.001 0.000 0.265 83 G HA3 -0.299 3.662 3.960 0.001 0.000 0.265 83 G C -0.276 174.636 174.900 0.020 0.000 1.234 83 G CA -0.557 44.578 45.100 0.059 0.000 0.944 83 G HN 0.663 nan 8.290 nan 0.000 0.568 84 R N -0.515 119.979 120.500 -0.009 0.000 2.570 84 R HA 0.318 4.658 4.340 0.001 0.000 0.277 84 R C 0.294 176.593 176.300 -0.002 0.000 1.039 84 R CA 0.671 56.698 56.100 -0.121 0.000 1.065 84 R CB -0.349 29.853 30.300 -0.164 0.000 0.964 84 R HN 0.796 nan 8.270 nan 0.000 0.428 85 F N 0.374 120.314 119.950 -0.018 0.000 3.080 85 F HA -0.263 4.265 4.527 0.000 0.000 0.292 85 F C 0.965 176.747 175.800 -0.030 0.000 0.891 85 F CA 1.186 59.165 58.000 -0.036 0.000 1.086 85 F CB -1.687 37.283 39.000 -0.050 0.000 1.095 85 F HN 0.874 nan 8.300 nan 0.000 0.633 86 G N -0.659 108.191 108.800 0.083 0.000 3.361 86 G HA2 0.162 4.123 3.960 0.001 0.000 0.200 86 G HA3 0.162 4.123 3.960 0.001 0.000 0.200 86 G C 0.765 175.684 174.900 0.032 0.000 1.355 86 G CA 0.218 45.348 45.100 0.051 0.000 0.798 86 G HN 0.336 nan 8.290 nan 0.000 0.803 87 E N 1.043 121.259 120.200 0.026 0.000 2.481 87 E HA 0.105 4.455 4.350 0.001 0.000 0.198 87 E C 0.712 177.304 176.600 -0.014 0.000 1.027 87 E CA 0.485 56.896 56.400 0.019 0.000 0.900 87 E CB 0.603 30.323 29.700 0.033 0.000 0.993 87 E HN 0.532 nan 8.360 nan 0.000 0.482 88 D N -0.419 119.957 120.400 -0.040 0.000 2.339 88 D HA 0.040 4.680 4.640 0.001 0.000 0.217 88 D C 1.364 177.634 176.300 -0.051 0.000 1.050 88 D CA 0.663 54.623 54.000 -0.067 0.000 0.856 88 D CB 0.344 41.064 40.800 -0.134 0.000 0.922 88 D HN 0.140 nan 8.370 nan 0.000 0.518 89 G N -0.239 108.545 108.800 -0.027 0.000 2.176 89 G HA2 -0.342 3.618 3.960 0.001 0.000 0.232 89 G HA3 -0.342 3.618 3.960 0.001 0.000 0.232 89 G C 1.179 176.078 174.900 -0.002 0.000 0.986 89 G CA 0.846 45.938 45.100 -0.013 0.000 0.643 89 G HN 0.559 nan 8.290 nan 0.000 0.522 90 T N -1.862 112.696 114.554 0.006 0.000 2.809 90 T HA 0.108 4.458 4.350 0.001 0.000 0.260 90 T C 2.260 177.019 174.700 0.098 0.000 1.039 90 T CA 1.932 64.062 62.100 0.050 0.000 1.141 90 T CB -0.386 68.534 68.868 0.086 0.000 0.869 90 T HN 0.515 nan 8.240 nan 0.000 0.437 91 V N 2.134 122.115 119.914 0.111 0.000 2.343 91 V HA -0.189 3.931 4.120 0.001 0.000 0.247 91 V C 2.929 179.048 176.094 0.040 0.000 1.051 91 V CA 1.956 64.359 62.300 0.172 0.000 1.036 91 V CB -0.994 30.918 31.823 0.148 0.000 0.654 91 V HN 0.412 nan 8.190 nan 0.000 0.451 92 Q N 0.596 120.323 119.800 -0.121 0.000 2.084 92 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 92 Q C 2.378 178.284 176.000 -0.156 0.000 0.978 92 Q CA 1.837 57.414 55.803 -0.375 0.000 0.844 92 Q CB -0.989 27.610 28.738 -0.231 0.000 0.898 92 Q HN 0.647 nan 8.270 nan 0.000 0.426 93 G N -0.365 108.437 108.800 0.002 0.000 2.422 93 G HA2 -0.269 3.691 3.960 0.001 0.000 0.218 93 G HA3 -0.269 3.691 3.960 0.001 0.000 0.218 93 G C 1.271 176.237 174.900 0.110 0.000 1.146 93 G CA 0.518 45.654 45.100 0.060 0.000 0.769 93 G HN 0.407 nan 8.290 nan 0.000 0.547 94 F N 0.937 120.866 119.950 -0.034 0.000 2.075 94 F HA -0.041 4.486 4.527 0.001 0.000 0.297 94 F C 2.510 178.232 175.800 -0.130 0.000 1.113 94 F CA 0.984 58.972 58.000 -0.019 0.000 1.218 94 F CB -0.028 39.032 39.000 0.101 0.000 0.984 94 F HN 0.036 nan 8.300 nan 0.000 0.472 95 L N 0.257 121.286 121.223 -0.324 0.000 2.079 95 L HA -0.222 4.119 4.340 0.001 0.000 0.210 95 L C 2.513 179.248 176.870 -0.225 0.000 1.081 95 L CA 1.115 55.677 54.840 -0.464 0.000 0.752 95 L CB -0.838 40.961 42.059 -0.432 0.000 0.896 95 L HN 0.204 nan 8.230 nan 0.000 0.433 96 E N 0.461 120.625 120.200 -0.061 0.000 2.038 96 E HA -0.226 4.124 4.350 0.001 0.000 0.195 96 E C 2.347 178.913 176.600 -0.057 0.000 1.000 96 E CA 1.332 57.754 56.400 0.036 0.000 0.803 96 E CB -0.366 29.380 29.700 0.076 0.000 0.750 96 E HN 0.499 nan 8.360 nan 0.000 0.448 97 L N 0.440 121.613 121.223 -0.084 0.000 2.191 97 L HA -0.153 4.187 4.340 0.001 0.000 0.212 97 L C 2.432 179.190 176.870 -0.187 0.000 1.103 97 L CA 0.573 55.360 54.840 -0.088 0.000 0.769 97 L CB -0.241 41.810 42.059 -0.012 0.000 0.908 97 L HN 0.071 nan 8.230 nan 0.000 0.438 98 L N -0.506 120.500 121.223 -0.362 0.000 2.552 98 L HA 0.072 4.412 4.340 0.001 0.000 0.227 98 L C 1.445 178.159 176.870 -0.260 0.000 1.146 98 L CA 0.534 55.101 54.840 -0.455 0.000 0.858 98 L CB -0.454 41.067 42.059 -0.897 0.000 0.969 98 L HN 0.454 nan 8.230 nan 0.000 0.451 99 G N 0.448 109.148 108.800 -0.166 0.000 2.198 99 G HA2 -0.302 3.658 3.960 0.001 0.000 0.260 99 G HA3 -0.302 3.658 3.960 0.001 0.000 0.260 99 G C 0.066 174.927 174.900 -0.066 0.000 1.025 99 G CA 0.099 45.146 45.100 -0.088 0.000 0.769 99 G HN 0.193 nan 8.290 nan 0.000 0.507 100 K N 0.903 121.258 120.400 -0.076 0.000 2.263 100 K HA 0.572 4.893 4.320 0.001 0.000 0.272 100 K C -2.192 174.462 176.600 0.090 0.000 1.033 100 K CA -2.278 54.004 56.287 -0.008 0.000 0.884 100 K CB 1.228 33.688 32.500 -0.068 0.000 1.107 100 K HN 0.054 nan 8.250 nan 0.000 0.460 101 P HA 0.076 nan 4.420 nan 0.000 0.268 101 P C -1.350 175.979 177.300 0.049 0.000 1.205 101 P CA 0.015 63.091 63.100 -0.040 0.000 0.771 101 P CB 0.253 31.912 31.700 -0.068 0.000 0.858 102 Y N -0.668 119.598 120.300 -0.058 0.000 2.615 102 Y HA 0.639 5.189 4.550 0.000 0.000 0.341 102 Y C -1.002 174.833 175.900 -0.108 0.000 1.089 102 Y CA -1.742 56.324 58.100 -0.058 0.000 1.049 102 Y CB 0.358 38.803 38.460 -0.025 0.000 1.296 102 Y HN -0.011 nan 8.280 nan 0.000 0.470 103 V N 2.769 122.704 119.914 0.035 0.000 2.686 103 V HA 0.602 4.722 4.120 0.001 0.000 0.295 103 V C 0.783 176.860 176.094 -0.029 0.000 1.055 103 V CA 0.953 63.130 62.300 -0.205 0.000 1.050 103 V CB 0.198 31.587 31.823 -0.725 0.000 0.984 103 V HN 1.460 nan 8.190 nan 0.000 0.482 104 G N 3.439 112.180 108.800 -0.098 0.000 2.631 104 G HA2 0.265 4.225 3.960 0.001 0.000 0.504 104 G HA3 0.265 4.225 3.960 0.001 0.000 0.504 104 G C -0.097 174.822 174.900 0.031 0.000 1.306 104 G CA -0.316 44.782 45.100 -0.004 0.000 0.897 104 G HN 1.559 nan 8.290 nan 0.000 0.520 105 A N -0.169 122.674 122.820 0.038 0.000 2.466 105 A HA 0.703 5.023 4.320 0.001 0.000 0.238 105 A C 1.419 179.077 177.584 0.124 0.000 1.074 105 A CA 1.454 53.497 52.037 0.011 0.000 0.774 105 A CB 0.098 19.077 19.000 -0.035 0.000 1.015 105 A HN 2.441 nan 8.150 nan 0.000 0.498 106 G N -0.521 108.319 108.800 0.066 0.000 2.563 106 G HA2 0.380 4.341 3.960 0.001 0.000 0.283 106 G HA3 0.380 4.341 3.960 0.001 0.000 0.283 106 G C 1.040 176.002 174.900 0.104 0.000 1.309 106 G CA 0.115 45.305 45.100 0.150 0.000 1.022 106 G HN 0.706 nan 8.290 nan 0.000 0.501 107 V N 0.957 120.932 119.914 0.101 0.000 2.255 107 V HA -0.236 3.884 4.120 0.001 0.000 0.247 107 V C 3.330 179.431 176.094 0.013 0.000 1.051 107 V CA 2.747 65.075 62.300 0.047 0.000 1.018 107 V CB -1.268 30.582 31.823 0.044 0.000 0.641 107 V HN 0.816 nan 8.190 nan 0.000 0.445 108 A N 0.027 122.849 122.820 0.004 0.000 1.851 108 A HA -0.174 4.146 4.320 0.001 0.000 0.216 108 A C 2.460 180.024 177.584 -0.034 0.000 1.195 108 A CA 2.573 54.600 52.037 -0.016 0.000 0.622 108 A CB -1.092 17.895 19.000 -0.021 0.000 0.831 108 A HN 0.617 nan 8.150 nan 0.000 0.444 109 A N -0.647 122.144 122.820 -0.047 0.000 1.883 109 A HA -0.129 4.192 4.320 0.001 0.000 0.217 109 A C 2.482 180.030 177.584 -0.061 0.000 1.186 109 A CA 2.365 54.355 52.037 -0.077 0.000 0.624 109 A CB -1.078 17.854 19.000 -0.114 0.000 0.822 109 A HN 0.483 nan 8.150 nan 0.000 0.444 110 S N -0.216 115.464 115.700 -0.033 0.000 2.353 110 S HA -0.088 4.383 4.470 0.001 0.000 0.222 110 S C 2.351 176.930 174.600 -0.035 0.000 1.035 110 S CA 1.392 59.577 58.200 -0.025 0.000 1.025 110 S CB -0.612 62.588 63.200 -0.001 0.000 0.902 110 S HN 0.846 nan 8.310 nan 0.000 0.440 111 A N 1.059 123.860 122.820 -0.032 0.000 1.940 111 A HA -0.071 4.249 4.320 0.001 0.000 0.219 111 A C 2.121 179.681 177.584 -0.041 0.000 1.176 111 A CA 1.442 53.457 52.037 -0.037 0.000 0.631 111 A CB -0.608 18.375 19.000 -0.029 0.000 0.814 111 A HN 0.414 nan 8.150 nan 0.000 0.446 112 L N -0.574 120.623 121.223 -0.043 0.000 2.095 112 L HA -0.054 4.286 4.340 0.001 0.000 0.204 112 L C 2.370 179.202 176.870 -0.064 0.000 1.080 112 L CA 1.965 56.776 54.840 -0.048 0.000 0.759 112 L CB -0.985 41.045 42.059 -0.050 0.000 0.914 112 L HN 0.426 nan 8.230 nan 0.000 0.439 113 C N -0.564 118.693 119.300 -0.072 0.000 2.419 113 C HA -0.110 4.350 4.460 0.001 0.000 0.281 113 C C 2.724 177.667 174.990 -0.078 0.000 1.336 113 C CA 1.025 59.993 59.018 -0.083 0.000 1.770 113 C CB -0.834 26.857 27.740 -0.082 0.000 1.929 113 C HN 0.697 nan 8.230 nan 0.000 0.509 114 M N 0.762 120.324 119.600 -0.063 0.000 2.254 114 M HA 0.044 4.524 4.480 0.001 0.000 0.265 114 M C 0.649 176.915 176.300 -0.058 0.000 1.066 114 M CA 1.346 56.611 55.300 -0.058 0.000 1.123 114 M CB -0.321 32.247 32.600 -0.053 0.000 1.388 114 M HN 0.165 nan 8.290 nan 0.000 0.425 115 D N 0.686 121.053 120.400 -0.054 0.000 2.339 115 D HA 0.049 4.689 4.640 0.001 0.000 0.241 115 D C 0.312 176.571 176.300 -0.068 0.000 1.183 115 D CA 0.151 54.126 54.000 -0.042 0.000 0.859 115 D CB 0.756 41.543 40.800 -0.022 0.000 1.067 115 D HN 0.311 nan 8.370 nan 0.000 0.484 116 K N 2.520 122.876 120.400 -0.073 0.000 2.280 116 K HA -0.159 4.162 4.320 0.001 0.000 0.202 116 K C 1.095 177.577 176.600 -0.196 0.000 1.047 116 K CA 0.947 57.154 56.287 -0.134 0.000 0.942 116 K CB 0.321 32.759 32.500 -0.103 0.000 0.739 116 K HN 0.395 nan 8.250 nan 0.000 0.457 117 D N 0.726 121.085 120.400 -0.068 0.000 2.202 117 D HA -0.035 4.606 4.640 0.001 0.000 0.214 117 D C 1.784 178.103 176.300 0.032 0.000 0.967 117 D CA 0.617 54.636 54.000 0.033 0.000 0.871 117 D CB 0.100 41.028 40.800 0.213 0.000 1.020 117 D HN -0.024 nan 8.370 nan 0.000 0.474 118 L N 0.618 121.860 121.223 0.031 0.000 2.046 118 L HA -0.141 4.200 4.340 0.001 0.000 0.208 118 L C 2.648 179.504 176.870 -0.022 0.000 1.077 118 L CA 1.468 56.327 54.840 0.031 0.000 0.747 118 L CB -0.730 41.340 42.059 0.018 0.000 0.896 118 L HN 0.185 nan 8.230 nan 0.000 0.432 119 S N -0.445 115.205 115.700 -0.084 0.000 2.383 119 S HA -0.188 4.282 4.470 0.001 0.000 0.227 119 S C 1.932 176.434 174.600 -0.163 0.000 1.026 119 S CA 0.849 58.981 58.200 -0.114 0.000 0.981 119 S CB -0.269 62.850 63.200 -0.135 0.000 0.818 119 S HN 0.364 nan 8.310 nan 0.000 0.472 120 K N 1.147 121.369 120.400 -0.296 0.000 2.057 120 K HA 0.044 4.364 4.320 0.001 0.000 0.206 120 K C 2.620 179.092 176.600 -0.213 0.000 1.050 120 K CA 1.175 57.155 56.287 -0.511 0.000 0.935 120 K CB -0.157 31.545 32.500 -1.329 0.000 0.715 120 K HN 0.398 nan 8.250 nan 0.000 0.439 121 R N 0.403 120.932 120.500 0.048 0.000 2.081 121 R HA -0.090 4.251 4.340 0.001 0.000 0.235 121 R C 2.312 178.696 176.300 0.139 0.000 1.131 121 R CA 1.159 57.429 56.100 0.283 0.000 0.960 121 R CB -0.508 29.962 30.300 0.282 0.000 0.856 121 R HN -0.001 nan 8.270 nan 0.000 0.436 122 V N 1.768 121.715 119.914 0.055 0.000 2.270 122 V HA -0.207 3.913 4.120 0.001 0.000 0.245 122 V C 2.379 178.487 176.094 0.024 0.000 1.043 122 V CA 1.649 63.966 62.300 0.030 0.000 1.014 122 V CB -0.440 31.381 31.823 -0.004 0.000 0.645 122 V HN 0.257 nan 8.190 nan 0.000 0.447 123 L N 0.105 121.323 121.223 -0.008 0.000 2.083 123 L HA -0.171 4.170 4.340 0.001 0.000 0.209 123 L C 2.710 179.602 176.870 0.037 0.000 1.083 123 L CA 1.585 56.422 54.840 -0.006 0.000 0.752 123 L CB -0.843 41.184 42.059 -0.054 0.000 0.899 123 L HN 0.381 nan 8.230 nan 0.000 0.433 124 A N -0.781 122.083 122.820 0.073 0.000 1.898 124 A HA -0.230 4.090 4.320 0.001 0.000 0.216 124 A C 2.297 179.949 177.584 0.113 0.000 1.181 124 A CA 1.353 53.471 52.037 0.135 0.000 0.620 124 A CB -0.496 18.667 19.000 0.271 0.000 0.819 124 A HN 0.388 nan 8.150 nan 0.000 0.442 125 Q N -0.096 119.766 119.800 0.103 0.000 2.226 125 Q HA -0.073 4.267 4.340 0.001 0.000 0.204 125 Q C 1.892 177.928 176.000 0.059 0.000 0.975 125 Q CA 1.541 57.392 55.803 0.080 0.000 0.866 125 Q CB -0.320 28.462 28.738 0.073 0.000 0.915 125 Q HN 0.571 nan 8.270 nan 0.000 0.440 126 A N -0.981 121.870 122.820 0.052 0.000 2.251 126 A HA 0.327 4.647 4.320 0.001 0.000 0.209 126 A C 1.390 179.001 177.584 0.045 0.000 1.187 126 A CA 1.003 53.065 52.037 0.042 0.000 0.823 126 A CB -0.109 18.910 19.000 0.033 0.000 0.846 126 A HN 0.509 nan 8.150 nan 0.000 0.486 127 G N -1.684 107.147 108.800 0.053 0.000 2.159 127 G HA2 -0.174 3.787 3.960 0.001 0.000 0.227 127 G HA3 -0.174 3.787 3.960 0.001 0.000 0.227 127 G C 0.071 175.001 174.900 0.050 0.000 0.986 127 G CA 0.025 45.155 45.100 0.050 0.000 0.651 127 G HN 0.743 nan 8.290 nan 0.000 0.523 128 V N 3.298 123.244 119.914 0.053 0.000 2.432 128 V HA 0.431 4.551 4.120 0.001 0.000 0.271 128 V C -1.083 175.048 176.094 0.062 0.000 1.046 128 V CA -1.297 61.037 62.300 0.058 0.000 0.945 128 V CB 1.327 33.179 31.823 0.048 0.000 0.992 128 V HN 0.283 nan 8.190 nan 0.000 0.471 129 P HA 0.220 nan 4.420 nan 0.000 0.271 129 P C -0.722 176.654 177.300 0.126 0.000 1.220 129 P CA 0.253 63.387 63.100 0.057 0.000 0.768 129 P CB 1.346 33.004 31.700 -0.071 0.000 0.848 130 V N 1.358 121.400 119.914 0.212 0.000 3.040 130 V HA 0.461 4.581 4.120 0.001 0.000 0.312 130 V C -0.014 176.306 176.094 0.376 0.000 1.115 130 V CA -1.186 61.249 62.300 0.225 0.000 0.998 130 V CB 1.672 33.493 31.823 -0.003 0.000 1.042 130 V HN 0.228 nan 8.190 nan 0.000 0.433 131 V N 2.733 122.787 119.914 0.234 0.000 2.763 131 V HA 0.204 4.324 4.120 0.001 0.000 0.306 131 V C -1.957 174.231 176.094 0.156 0.000 1.059 131 V CA -0.642 61.672 62.300 0.022 0.000 1.138 131 V CB 0.440 32.181 31.823 -0.135 0.000 0.940 131 V HN 0.911 nan 8.190 nan 0.000 0.489 132 P HA 0.146 nan 4.420 nan 0.000 0.264 132 P C -0.893 176.440 177.300 0.056 0.000 1.193 132 P CA 0.321 63.417 63.100 -0.006 0.000 0.763 132 P CB 0.264 31.745 31.700 -0.366 0.000 0.810 133 W N 2.567 123.888 121.300 0.035 0.000 2.988 133 W HA 0.719 5.379 4.660 0.001 0.000 0.355 133 W C -2.562 174.121 176.519 0.274 0.000 1.233 133 W CA -0.938 56.533 57.345 0.209 0.000 1.176 133 W CB 0.807 30.329 29.460 0.103 0.000 1.477 133 W HN 0.254 nan 8.180 nan 0.000 0.582 134 V N 1.939 121.808 119.914 -0.076 0.000 2.971 134 V HA 0.819 4.939 4.120 0.001 0.000 0.309 134 V C -0.748 175.339 176.094 -0.011 0.000 1.130 134 V CA -0.550 61.555 62.300 -0.325 0.000 0.964 134 V CB 1.839 33.541 31.823 -0.200 0.000 1.029 134 V HN 1.190 nan 8.190 nan 0.000 0.427 135 A N 4.562 127.376 122.820 -0.009 0.000 2.306 135 A HA 0.832 5.153 4.320 0.001 0.000 0.314 135 A C -0.929 176.709 177.584 0.091 0.000 1.164 135 A CA -0.407 51.721 52.037 0.151 0.000 0.822 135 A CB 1.303 20.416 19.000 0.188 0.000 1.130 135 A HN 0.952 nan 8.150 nan 0.000 0.496 136 V N 3.165 123.164 119.914 0.142 0.000 2.540 136 V HA 0.470 4.591 4.120 0.001 0.000 0.302 136 V C -0.060 176.217 176.094 0.305 0.000 1.035 136 V CA -0.597 61.811 62.300 0.180 0.000 0.873 136 V CB 1.623 33.547 31.823 0.167 0.000 0.992 136 V HN 0.975 nan 8.190 nan 0.000 0.428 137 R N 2.295 122.912 120.500 0.196 0.000 2.460 137 R HA 0.500 4.840 4.340 0.001 0.000 0.303 137 R C -0.470 175.732 176.300 -0.164 0.000 0.968 137 R CA -1.070 55.073 56.100 0.072 0.000 0.889 137 R CB 1.577 31.888 30.300 0.019 0.000 1.123 137 R HN 0.555 nan 8.270 nan 0.000 0.455 138 K N 1.243 121.284 120.400 -0.599 0.000 2.440 138 K HA -0.031 4.289 4.320 0.001 0.000 0.275 138 K C 0.856 177.216 176.600 -0.399 0.000 1.082 138 K CA 1.649 57.360 56.287 -0.959 0.000 1.135 138 K CB -0.153 31.830 32.500 -0.862 0.000 0.864 138 K HN 0.787 nan 8.250 nan 0.000 0.479 139 G N 2.898 111.527 108.800 -0.284 0.000 2.238 139 G HA2 -0.246 3.714 3.960 0.001 0.000 0.217 139 G HA3 -0.246 3.714 3.960 0.001 0.000 0.217 139 G C -0.201 174.656 174.900 -0.071 0.000 0.996 139 G CA 0.153 45.169 45.100 -0.139 0.000 0.632 139 G HN 0.629 nan 8.290 nan 0.000 0.503 140 E N 1.438 121.606 120.200 -0.052 0.000 2.185 140 E HA 0.559 4.910 4.350 0.001 0.000 0.261 140 E C -2.518 174.096 176.600 0.023 0.000 0.879 140 E CA -2.150 54.242 56.400 -0.013 0.000 0.756 140 E CB 1.785 31.477 29.700 -0.014 0.000 1.152 140 E HN 0.104 nan 8.360 nan 0.000 0.416 141 P HA -0.000 nan 4.420 nan 0.000 0.266 141 P C -2.426 174.893 177.300 0.031 0.000 1.186 141 P CA -0.560 62.561 63.100 0.034 0.000 0.767 141 P CB -0.034 31.673 31.700 0.011 0.000 0.820 142 P HA 0.111 nan 4.420 nan 0.000 0.274 142 P C -1.105 176.181 177.300 -0.023 0.000 1.231 142 P CA 0.074 63.181 63.100 0.012 0.000 0.790 142 P CB 0.761 32.472 31.700 0.019 0.000 0.951 143 V N 3.088 122.968 119.914 -0.056 0.000 2.445 143 V HA 0.136 4.256 4.120 0.001 0.000 0.283 143 V C -0.087 175.927 176.094 -0.133 0.000 1.014 143 V CA -0.586 61.668 62.300 -0.076 0.000 0.852 143 V CB 1.967 33.749 31.823 -0.068 0.000 1.021 143 V HN 0.275 nan 8.190 nan 0.000 0.435 144 V N 7.622 127.454 119.914 -0.137 0.000 2.313 144 V HA 0.323 4.443 4.120 0.001 0.000 0.278 144 V C -0.725 175.214 176.094 -0.259 0.000 1.017 144 V CA -1.078 61.018 62.300 -0.340 0.000 0.823 144 V CB 1.618 33.172 31.823 -0.448 0.000 1.010 144 V HN 0.723 nan 8.190 nan 0.000 0.443 145 P HA -0.075 nan 4.420 nan 0.000 0.222 145 P C 0.241 177.589 177.300 0.081 0.000 1.147 145 P CA 1.075 64.147 63.100 -0.046 0.000 0.790 145 P CB 0.139 31.860 31.700 0.035 0.000 0.780 146 F N -0.881 119.164 119.950 0.157 0.000 2.557 146 F HA 0.670 5.198 4.527 0.001 0.000 0.336 146 F C 0.035 176.020 175.800 0.309 0.000 1.058 146 F CA -1.765 56.350 58.000 0.192 0.000 0.988 146 F CB 0.180 39.279 39.000 0.165 0.000 1.275 146 F HN -0.375 nan 8.300 nan 0.000 0.488 147 D N 0.651 121.301 120.400 0.416 0.000 2.294 147 D HA 0.370 5.011 4.640 0.001 0.000 0.250 147 D C -2.410 173.851 176.300 -0.065 0.000 1.058 147 D CA -1.134 52.975 54.000 0.181 0.000 0.950 147 D CB 1.383 42.248 40.800 0.110 0.000 1.158 147 D HN 0.238 nan 8.370 nan 0.000 0.453 148 P HA 0.124 nan 4.420 nan 0.000 0.272 148 P C -2.307 174.703 177.300 -0.484 0.000 1.254 148 P CA -0.684 61.665 63.100 -1.252 0.000 0.795 148 P CB -0.293 30.675 31.700 -1.221 0.000 1.022 149 P HA 0.237 nan 4.420 nan 0.000 0.274 149 P C -1.147 175.966 177.300 -0.312 0.000 1.237 149 P CA 0.312 63.136 63.100 -0.460 0.000 0.793 149 P CB 0.445 32.000 31.700 -0.241 0.000 0.977 150 F N -0.058 119.840 119.950 -0.086 0.000 2.639 150 F HA 0.573 5.100 4.527 0.001 0.000 0.339 150 F C -0.057 175.685 175.800 -0.097 0.000 1.071 150 F CA -0.982 57.024 58.000 0.010 0.000 0.994 150 F CB 0.822 39.821 39.000 -0.001 0.000 1.341 150 F HN 0.099 nan 8.300 nan 0.000 0.498 151 F N 0.700 120.786 119.950 0.228 0.000 2.536 151 F HA 0.649 5.176 4.527 0.001 0.000 0.322 151 F C -0.823 175.033 175.800 0.094 0.000 1.144 151 F CA -0.912 57.148 58.000 0.100 0.000 0.924 151 F CB 1.837 40.861 39.000 0.041 0.000 1.181 151 F HN 0.033 nan 8.300 nan 0.000 0.438 152 V N 4.940 124.942 119.914 0.146 0.000 2.459 152 V HA 0.577 4.697 4.120 0.001 0.000 0.295 152 V C -0.727 175.417 176.094 0.084 0.000 1.029 152 V CA -0.871 61.474 62.300 0.076 0.000 0.874 152 V CB 1.823 33.640 31.823 -0.011 0.000 0.985 152 V HN 0.665 nan 8.190 nan 0.000 0.438 153 K N 4.774 125.213 120.400 0.065 0.000 2.508 153 K HA 0.589 4.909 4.320 0.001 0.000 0.260 153 K C -3.112 173.508 176.600 0.034 0.000 0.949 153 K CA -2.019 54.301 56.287 0.056 0.000 0.834 153 K CB 2.320 34.864 32.500 0.073 0.000 1.365 153 K HN 0.271 nan 8.250 nan 0.000 0.437 154 P HA 0.032 nan 4.420 nan 0.000 0.275 154 P C -0.152 177.183 177.300 0.059 0.000 1.228 154 P CA -0.075 63.071 63.100 0.076 0.000 0.786 154 P CB 0.961 32.728 31.700 0.111 0.000 0.927 155 A N 3.155 126.022 122.820 0.079 0.000 1.968 155 A HA -0.076 4.244 4.320 0.001 0.000 0.217 155 A C 1.068 178.665 177.584 0.021 0.000 1.169 155 A CA 1.407 53.476 52.037 0.054 0.000 0.638 155 A CB -0.533 18.516 19.000 0.081 0.000 0.812 155 A HN 0.543 nan 8.150 nan 0.000 0.446 156 N N -0.753 117.963 118.700 0.027 0.000 2.599 156 N HA 0.175 4.916 4.740 0.001 0.000 0.309 156 N C -0.257 175.245 175.510 -0.013 0.000 1.743 156 N CA 0.221 53.268 53.050 -0.005 0.000 0.918 156 N CB 1.138 39.616 38.487 -0.015 0.000 1.339 156 N HN 0.327 nan 8.380 nan 0.000 0.493 157 T N -1.164 113.384 114.554 -0.009 0.000 3.556 157 T HA 0.541 4.891 4.350 0.001 0.000 0.204 157 T C 0.688 175.363 174.700 -0.042 0.000 0.896 157 T CA 0.589 62.676 62.100 -0.022 0.000 1.380 157 T CB 0.656 69.508 68.868 -0.027 0.000 1.584 157 T HN 0.426 nan 8.240 nan 0.000 0.411 158 G N 0.701 109.468 108.800 -0.055 0.000 2.408 158 G HA2 0.266 4.226 3.960 0.001 0.000 0.682 158 G HA3 0.266 4.226 3.960 0.001 0.000 0.682 158 G C 0.077 174.939 174.900 -0.063 0.000 1.303 158 G CA 0.036 45.106 45.100 -0.050 0.000 0.966 158 G HN 1.553 nan 8.290 nan 0.000 0.560 159 S N -2.059 113.613 115.700 -0.047 0.000 3.587 159 S HA -0.094 4.376 4.470 0.001 0.000 0.337 159 S C 1.326 175.893 174.600 -0.055 0.000 1.119 159 S CA 1.637 59.811 58.200 -0.044 0.000 0.976 159 S CB -2.010 61.171 63.200 -0.032 0.000 0.922 159 S HN 2.694 nan 8.310 nan 0.000 0.503 160 S N -2.127 113.544 115.700 -0.049 0.000 3.143 160 S HA -0.214 4.256 4.470 0.001 0.000 0.291 160 S C 0.521 175.074 174.600 -0.079 0.000 1.294 160 S CA 0.938 59.117 58.200 -0.035 0.000 1.115 160 S CB -1.678 61.519 63.200 -0.005 0.000 1.318 160 S HN 1.447 nan 8.310 nan 0.000 0.685 161 V N 0.882 120.698 119.914 -0.164 0.000 2.655 161 V HA 0.424 4.544 4.120 0.001 0.000 0.300 161 V C 1.734 177.605 176.094 -0.371 0.000 1.044 161 V CA 0.999 63.102 62.300 -0.328 0.000 1.095 161 V CB 0.525 32.028 31.823 -0.534 0.000 0.952 161 V HN 1.063 nan 8.190 nan 0.000 0.485 162 G N 4.262 112.890 108.800 -0.286 0.000 2.155 162 G HA2 -0.251 3.709 3.960 0.001 0.000 0.257 162 G HA3 -0.251 3.709 3.960 0.001 0.000 0.257 162 G C 0.017 174.931 174.900 0.022 0.000 0.983 162 G CA 0.268 45.355 45.100 -0.022 0.000 0.676 162 G HN 0.599 nan 8.290 nan 0.000 0.528 163 I N 1.543 122.118 120.570 0.009 0.000 2.385 163 I HA 0.553 4.723 4.170 0.001 0.000 0.294 163 I C 0.583 176.733 176.117 0.054 0.000 0.988 163 I CA -0.074 61.264 61.300 0.063 0.000 1.265 163 I CB 1.727 39.792 38.000 0.108 0.000 1.388 163 I HN 0.342 nan 8.210 nan 0.000 0.480 164 S N 5.707 121.420 115.700 0.022 0.000 2.556 164 S HA 0.547 5.017 4.470 0.001 0.000 0.271 164 S C -0.817 173.610 174.600 -0.289 0.000 1.135 164 S CA -1.093 57.058 58.200 -0.082 0.000 0.858 164 S CB 2.215 65.379 63.200 -0.060 0.000 1.114 164 S HN 0.666 nan 8.310 nan 0.000 0.468 165 R N 1.344 121.568 120.500 -0.460 0.000 2.265 165 R HA 0.635 4.975 4.340 0.001 0.000 0.319 165 R C -1.494 174.590 176.300 -0.360 0.000 1.006 165 R CA -0.506 55.143 56.100 -0.752 0.000 0.880 165 R CB 0.817 30.621 30.300 -0.827 0.000 1.077 165 R HN 0.616 nan 8.270 nan 0.000 0.454 166 V N 5.160 124.911 119.914 -0.271 0.000 2.370 166 V HA 0.156 4.277 4.120 0.001 0.000 0.283 166 V C 0.524 176.459 176.094 -0.265 0.000 1.023 166 V CA -0.467 61.733 62.300 -0.167 0.000 0.857 166 V CB 1.574 33.400 31.823 0.005 0.000 0.985 166 V HN 0.871 nan 8.190 nan 0.000 0.443 167 E N 3.589 123.652 120.200 -0.227 0.000 2.216 167 E HA 0.144 4.494 4.350 0.001 0.000 0.192 167 E C 0.513 176.948 176.600 -0.276 0.000 0.973 167 E CA 0.525 56.780 56.400 -0.242 0.000 0.851 167 E CB 0.514 30.119 29.700 -0.158 0.000 0.804 167 E HN 0.591 nan 8.360 nan 0.000 0.477 168 R N -0.944 119.425 120.500 -0.218 0.000 2.795 168 R HA 0.332 4.672 4.340 0.001 0.000 0.275 168 R C 0.417 176.654 176.300 -0.106 0.000 0.981 168 R CA -0.625 55.377 56.100 -0.164 0.000 0.917 168 R CB 0.780 31.047 30.300 -0.054 0.000 1.202 168 R HN -0.144 nan 8.270 nan 0.000 0.469 169 F N 1.867 121.797 119.950 -0.033 0.000 2.161 169 F HA -0.235 4.292 4.527 0.001 0.000 0.300 169 F C 2.618 178.439 175.800 0.036 0.000 1.089 169 F CA 1.919 59.949 58.000 0.049 0.000 1.282 169 F CB -0.073 38.955 39.000 0.047 0.000 1.010 169 F HN 0.595 nan 8.300 nan 0.000 0.485 170 Q N -0.530 119.388 119.800 0.196 0.000 2.297 170 Q HA -0.206 4.135 4.340 0.001 0.000 0.208 170 Q C 0.667 176.715 176.000 0.080 0.000 0.981 170 Q CA 1.818 57.688 55.803 0.113 0.000 0.876 170 Q CB -0.493 28.285 28.738 0.067 0.000 0.921 170 Q HN 0.356 nan 8.270 nan 0.000 0.446 171 D N 0.314 120.752 120.400 0.062 0.000 2.349 171 D HA 0.025 4.665 4.640 0.001 0.000 0.214 171 D C 1.636 177.966 176.300 0.050 0.000 1.063 171 D CA -0.045 53.976 54.000 0.034 0.000 0.847 171 D CB 0.332 41.128 40.800 -0.006 0.000 0.933 171 D HN 0.181 nan 8.370 nan 0.000 0.513 172 L N 1.643 122.928 121.223 0.103 0.000 2.017 172 L HA -0.126 4.214 4.340 0.001 0.000 0.208 172 L C 2.114 179.024 176.870 0.066 0.000 1.073 172 L CA 1.867 56.776 54.840 0.115 0.000 0.745 172 L CB -0.478 41.714 42.059 0.222 0.000 0.894 172 L HN -0.091 nan 8.230 nan 0.000 0.432 173 E N -0.767 119.480 120.200 0.079 0.000 2.118 173 E HA -0.249 4.101 4.350 0.001 0.000 0.195 173 E C 2.035 178.658 176.600 0.039 0.000 0.992 173 E CA 1.239 57.676 56.400 0.062 0.000 0.804 173 E CB -0.158 29.582 29.700 0.067 0.000 0.741 173 E HN 0.632 nan 8.360 nan 0.000 0.458 174 A N 0.715 123.553 122.820 0.031 0.000 1.968 174 A HA 0.028 4.348 4.320 0.001 0.000 0.217 174 A C 2.299 179.883 177.584 -0.001 0.000 1.169 174 A CA 1.366 53.415 52.037 0.020 0.000 0.638 174 A CB -0.478 18.532 19.000 0.018 0.000 0.812 174 A HN 0.390 nan 8.150 nan 0.000 0.446 175 A N -0.076 122.735 122.820 -0.014 0.000 1.898 175 A HA 0.006 4.326 4.320 0.001 0.000 0.216 175 A C 2.124 179.645 177.584 -0.106 0.000 1.181 175 A CA 1.372 53.385 52.037 -0.039 0.000 0.620 175 A CB -0.552 18.429 19.000 -0.032 0.000 0.819 175 A HN 0.455 nan 8.150 nan 0.000 0.442 176 L N -0.764 120.364 121.223 -0.158 0.000 2.046 176 L HA -0.179 4.162 4.340 0.001 0.000 0.208 176 L C 3.074 179.698 176.870 -0.409 0.000 1.077 176 L CA 1.017 55.607 54.840 -0.418 0.000 0.747 176 L CB -0.522 41.344 42.059 -0.323 0.000 0.896 176 L HN 0.432 nan 8.230 nan 0.000 0.432 177 A N -0.065 122.718 122.820 -0.063 0.000 1.933 177 A HA -0.210 4.110 4.320 0.001 0.000 0.218 177 A C 2.188 179.798 177.584 0.043 0.000 1.175 177 A CA 1.576 53.665 52.037 0.086 0.000 0.628 177 A CB -0.579 18.472 19.000 0.084 0.000 0.814 177 A HN 0.326 nan 8.150 nan 0.000 0.444 178 L N -0.148 121.078 121.223 0.005 0.000 2.005 178 L HA -0.016 4.325 4.340 0.001 0.000 0.207 178 L C 2.635 179.569 176.870 0.105 0.000 1.072 178 L CA 2.351 57.223 54.840 0.054 0.000 0.744 178 L CB -1.061 41.036 42.059 0.063 0.000 0.895 178 L HN 0.312 nan 8.230 nan 0.000 0.433 179 A N -0.885 121.940 122.820 0.008 0.000 1.933 179 A HA -0.206 4.114 4.320 0.001 0.000 0.218 179 A C 2.023 179.674 177.584 0.111 0.000 1.175 179 A CA 1.821 53.882 52.037 0.041 0.000 0.628 179 A CB -1.095 17.809 19.000 -0.160 0.000 0.814 179 A HN 0.487 nan 8.150 nan 0.000 0.444 180 F N -0.174 119.818 119.950 0.069 0.000 2.546 180 F HA 0.003 4.530 4.527 0.001 0.000 0.298 180 F C 2.146 177.916 175.800 -0.050 0.000 1.120 180 F CA 0.759 58.772 58.000 0.022 0.000 1.456 180 F CB -0.580 38.424 39.000 0.007 0.000 1.088 180 F HN 0.272 nan 8.300 nan 0.000 0.572 181 R N -1.026 119.484 120.500 0.018 0.000 2.237 181 R HA -0.153 4.188 4.340 0.001 0.000 0.219 181 R C 0.821 176.800 176.300 -0.534 0.000 1.080 181 R CA 1.395 57.305 56.100 -0.317 0.000 0.995 181 R CB -0.112 29.859 30.300 -0.548 0.000 0.875 181 R HN 0.276 nan 8.270 nan 0.000 0.462 182 Y N -1.710 118.646 120.300 0.093 0.000 2.432 182 Y HA 0.388 4.938 4.550 0.001 0.000 0.252 182 Y C -0.006 175.938 175.900 0.074 0.000 1.097 182 Y CA -0.687 57.454 58.100 0.068 0.000 1.250 182 Y CB 0.904 39.394 38.460 0.049 0.000 1.245 182 Y HN -0.072 nan 8.280 nan 0.000 0.522 183 D N -0.737 119.803 120.400 0.234 0.000 2.599 183 D HA 0.164 4.805 4.640 0.001 0.000 0.252 183 D C 0.017 176.450 176.300 0.221 0.000 1.232 183 D CA -0.121 53.998 54.000 0.198 0.000 0.819 183 D CB 1.966 42.887 40.800 0.203 0.000 1.401 183 D HN -0.118 nan 8.370 nan 0.000 0.429 184 E N 0.399 120.675 120.200 0.127 0.000 2.474 184 E HA 0.072 4.422 4.350 0.001 0.000 0.194 184 E C 0.086 176.737 176.600 0.084 0.000 1.041 184 E CA 0.476 56.890 56.400 0.023 0.000 0.874 184 E CB 0.773 30.460 29.700 -0.022 0.000 0.914 184 E HN 0.225 nan 8.360 nan 0.000 0.498 185 K N 0.047 120.595 120.400 0.247 0.000 2.464 185 K HA 0.629 4.950 4.320 0.001 0.000 0.253 185 K C -1.594 175.199 176.600 0.322 0.000 0.933 185 K CA -0.593 55.878 56.287 0.306 0.000 0.801 185 K CB 2.163 34.762 32.500 0.164 0.000 1.271 185 K HN -0.059 nan 8.250 nan 0.000 0.430 186 A N 1.804 124.800 122.820 0.295 0.000 2.527 186 A HA 0.726 5.047 4.320 0.001 0.000 0.293 186 A C -1.206 176.451 177.584 0.121 0.000 1.117 186 A CA -0.692 51.405 52.037 0.101 0.000 0.723 186 A CB 1.509 20.404 19.000 -0.175 0.000 1.313 186 A HN 0.563 nan 8.150 nan 0.000 0.411 187 V N -1.380 118.598 119.914 0.107 0.000 2.628 187 V HA 0.865 4.986 4.120 0.001 0.000 0.306 187 V C -0.780 175.397 176.094 0.140 0.000 1.045 187 V CA -0.741 61.675 62.300 0.194 0.000 0.905 187 V CB 1.380 33.331 31.823 0.213 0.000 0.997 187 V HN 0.731 nan 8.190 nan 0.000 0.436 188 V N 4.664 124.675 119.914 0.161 0.000 2.349 188 V HA 0.530 4.650 4.120 0.001 0.000 0.284 188 V C -0.090 176.178 176.094 0.290 0.000 1.014 188 V CA -0.287 62.046 62.300 0.055 0.000 0.826 188 V CB 1.015 32.684 31.823 -0.257 0.000 1.009 188 V HN 1.148 nan 8.190 nan 0.000 0.431 189 E N 3.677 124.079 120.200 0.336 0.000 2.299 189 E HA 0.611 4.961 4.350 0.001 0.000 0.265 189 E C -0.991 175.795 176.600 0.311 0.000 0.911 189 E CA -1.233 55.376 56.400 0.348 0.000 0.789 189 E CB 2.195 32.035 29.700 0.234 0.000 1.246 189 E HN 0.347 nan 8.360 nan 0.000 0.427 190 K N 0.591 120.968 120.400 -0.039 0.000 2.451 190 K HA 0.193 4.513 4.320 0.001 0.000 0.280 190 K C -0.403 176.223 176.600 0.044 0.000 1.020 190 K CA -0.065 56.200 56.287 -0.036 0.000 1.008 190 K CB 0.656 32.952 32.500 -0.341 0.000 0.917 190 K HN 0.583 nan 8.250 nan 0.000 0.478 191 A N 4.930 127.835 122.820 0.141 0.000 2.354 191 A HA 0.269 4.589 4.320 0.001 0.000 0.281 191 A C -0.127 177.438 177.584 -0.032 0.000 1.174 191 A CA -0.547 51.601 52.037 0.186 0.000 0.828 191 A CB 0.017 19.160 19.000 0.238 0.000 1.099 191 A HN 0.659 nan 8.150 nan 0.000 0.516 192 L N 2.399 123.509 121.223 -0.189 0.000 2.292 192 L HA 0.576 4.916 4.340 0.001 0.000 0.284 192 L C 0.532 177.310 176.870 -0.153 0.000 1.065 192 L CA -0.120 54.583 54.840 -0.228 0.000 0.806 192 L CB 1.449 43.277 42.059 -0.385 0.000 1.175 192 L HN 0.666 nan 8.230 nan 0.000 0.431 193 S N 3.544 119.192 115.700 -0.087 0.000 2.605 193 S HA 0.544 5.014 4.470 0.001 0.000 0.279 193 S C -2.343 172.238 174.600 -0.032 0.000 1.166 193 S CA -0.952 57.217 58.200 -0.052 0.000 0.975 193 S CB 1.293 64.477 63.200 -0.026 0.000 1.111 193 S HN 0.577 nan 8.310 nan 0.000 0.465 194 P HA 0.644 nan 4.420 nan 0.000 0.276 194 P C -1.095 176.184 177.300 -0.036 0.000 1.261 194 P CA -0.563 62.522 63.100 -0.025 0.000 0.800 194 P CB 0.945 32.639 31.700 -0.009 0.000 1.066 195 V N -0.113 119.777 119.914 -0.041 0.000 3.087 195 V HA 0.483 4.603 4.120 0.001 0.000 0.306 195 V C -1.103 175.004 176.094 0.021 0.000 1.187 195 V CA -0.914 61.366 62.300 -0.035 0.000 0.999 195 V CB 2.556 34.274 31.823 -0.174 0.000 1.049 195 V HN 0.608 nan 8.190 nan 0.000 0.431 196 R N 3.092 123.642 120.500 0.083 0.000 2.637 196 R HA 0.612 4.952 4.340 0.001 0.000 0.291 196 R C -1.133 175.274 176.300 0.179 0.000 0.963 196 R CA -0.681 55.477 56.100 0.098 0.000 0.901 196 R CB 2.175 32.517 30.300 0.071 0.000 1.160 196 R HN 0.692 nan 8.270 nan 0.000 0.457 197 E N 3.602 123.894 120.200 0.153 0.000 2.134 197 E HA 0.295 4.646 4.350 0.001 0.000 0.278 197 E C -0.693 175.962 176.600 0.092 0.000 0.959 197 E CA -0.390 56.109 56.400 0.165 0.000 0.783 197 E CB 1.444 31.229 29.700 0.141 0.000 1.095 197 E HN 0.236 nan 8.360 nan 0.000 0.399 198 L N 2.385 123.667 121.223 0.099 0.000 2.334 198 L HA 0.525 4.865 4.340 0.001 0.000 0.273 198 L C 0.002 176.935 176.870 0.104 0.000 1.013 198 L CA -0.748 54.137 54.840 0.074 0.000 0.816 198 L CB 1.516 43.603 42.059 0.047 0.000 1.278 198 L HN 0.424 nan 8.230 nan 0.000 0.431 199 E N 1.594 121.834 120.200 0.068 0.000 2.272 199 E HA 0.627 4.977 4.350 0.001 0.000 0.269 199 E C -1.573 175.061 176.600 0.057 0.000 0.877 199 E CA -0.639 55.809 56.400 0.079 0.000 0.755 199 E CB 3.601 33.323 29.700 0.036 0.000 1.192 199 E HN 0.256 nan 8.360 nan 0.000 0.422 200 V N 1.546 121.520 119.914 0.101 0.000 2.808 200 V HA 0.723 4.843 4.120 0.001 0.000 0.308 200 V C -0.488 175.646 176.094 0.067 0.000 1.099 200 V CA -0.332 61.985 62.300 0.028 0.000 0.920 200 V CB 1.921 33.765 31.823 0.034 0.000 1.014 200 V HN 0.740 nan 8.190 nan 0.000 0.425 201 G N 4.331 113.094 108.800 -0.062 0.000 2.400 201 G HA2 0.606 4.566 3.960 0.001 0.000 0.301 201 G HA3 0.606 4.566 3.960 0.001 0.000 0.301 201 G C -1.134 173.882 174.900 0.194 0.000 1.154 201 G CA -0.417 44.767 45.100 0.141 0.000 0.852 201 G HN 0.914 nan 8.290 nan 0.000 0.511 202 V N 1.710 121.906 119.914 0.469 0.000 2.735 202 V HA 0.636 4.756 4.120 0.001 0.000 0.310 202 V C -0.760 175.498 176.094 0.273 0.000 1.061 202 V CA -0.745 61.667 62.300 0.186 0.000 0.913 202 V CB 1.804 33.407 31.823 -0.367 0.000 1.005 202 V HN 0.712 nan 8.190 nan 0.000 0.428 203 L N 3.102 124.390 121.223 0.108 0.000 2.422 203 L HA 1.055 5.395 4.340 0.001 0.000 0.264 203 L C -0.104 176.762 176.870 -0.006 0.000 0.984 203 L CA 0.883 55.731 54.840 0.014 0.000 0.819 203 L CB 1.909 43.795 42.059 -0.288 0.000 1.330 203 L HN 1.096 nan 8.230 nan 0.000 0.410 204 G N 2.454 111.297 108.800 0.071 0.000 2.355 204 G HA2 -0.015 3.946 3.960 0.001 0.000 0.619 204 G HA3 -0.015 3.946 3.960 0.001 0.000 0.619 204 G C -1.754 173.277 174.900 0.218 0.000 1.337 204 G CA -0.987 44.179 45.100 0.110 0.000 0.993 204 G HN 0.653 nan 8.290 nan 0.000 0.599 205 N N 0.780 119.585 118.700 0.174 0.000 2.485 205 N HA 0.524 5.264 4.740 0.001 0.000 0.243 205 N C 1.391 176.985 175.510 0.140 0.000 0.987 205 N CA 0.539 53.671 53.050 0.136 0.000 0.940 205 N CB 1.501 40.025 38.487 0.062 0.000 1.122 205 N HN 1.284 nan 8.380 nan 0.000 0.509 206 V N 1.014 120.984 119.914 0.093 0.000 0.516 206 V HA -0.356 3.764 4.120 0.001 0.000 0.092 206 V C 0.039 176.052 176.094 -0.134 0.000 2.243 206 V CA 1.520 63.732 62.300 -0.146 0.000 3.573 206 V CB -1.302 30.287 31.823 -0.390 0.000 0.862 206 V HN 0.551 nan 8.190 nan 0.000 0.902 207 F N 2.267 122.322 119.950 0.175 0.000 2.309 207 F HA 0.718 5.245 4.527 0.000 0.000 0.366 207 F C 0.917 176.771 175.800 0.090 0.000 1.104 207 F CA 0.416 58.490 58.000 0.124 0.000 1.179 207 F CB 0.892 39.935 39.000 0.071 0.000 1.437 207 F HN 0.297 nan 8.300 nan 0.000 0.528 208 G N 1.929 110.816 108.800 0.145 0.000 2.568 208 G HA2 0.622 4.582 3.960 0.001 0.000 0.293 208 G HA3 0.622 4.582 3.960 0.001 0.000 0.293 208 G C -1.043 173.859 174.900 0.003 0.000 1.347 208 G CA -0.686 44.405 45.100 -0.014 0.000 1.039 208 G HN 0.524 nan 8.290 nan 0.000 0.523 209 E N -1.271 118.932 120.200 0.005 0.000 2.248 209 E HA 0.635 4.985 4.350 0.001 0.000 0.267 209 E C -0.572 176.088 176.600 0.101 0.000 0.877 209 E CA -1.033 55.404 56.400 0.062 0.000 0.759 209 E CB 1.998 31.757 29.700 0.099 0.000 1.182 209 E HN 0.563 nan 8.360 nan 0.000 0.418 210 A N 2.371 125.210 122.820 0.033 0.000 2.316 210 A HA 0.517 4.838 4.320 0.001 0.000 0.284 210 A C 0.327 177.819 177.584 -0.155 0.000 1.115 210 A CA -0.320 51.697 52.037 -0.034 0.000 0.812 210 A CB 0.838 19.804 19.000 -0.056 0.000 1.064 210 A HN 0.793 nan 8.150 nan 0.000 0.489 211 S N 1.591 117.009 115.700 -0.469 0.000 2.694 211 S HA 0.705 5.176 4.470 0.001 0.000 0.278 211 S C -2.747 171.617 174.600 -0.393 0.000 1.152 211 S CA -1.317 56.434 58.200 -0.748 0.000 1.010 211 S CB 0.296 62.568 63.200 -1.547 0.000 1.104 211 S HN 0.450 nan 8.310 nan 0.000 0.547 212 P HA 0.277 nan 4.420 nan 0.000 0.272 212 P C -0.944 176.237 177.300 -0.199 0.000 1.240 212 P CA -0.530 62.445 63.100 -0.208 0.000 0.791 212 P CB 0.326 31.923 31.700 -0.172 0.000 0.978 213 V N 1.027 120.854 119.914 -0.144 0.000 2.607 213 V HA 0.580 4.700 4.120 0.001 0.000 0.289 213 V C 0.969 177.005 176.094 -0.096 0.000 1.053 213 V CA 0.202 62.431 62.300 -0.119 0.000 0.996 213 V CB 0.795 32.549 31.823 -0.116 0.000 0.995 213 V HN 0.743 nan 8.190 nan 0.000 0.476 214 G N 2.624 111.381 108.800 -0.072 0.000 2.600 214 G HA2 0.711 4.671 3.960 0.001 0.000 0.303 214 G HA3 0.711 4.671 3.960 0.001 0.000 0.303 214 G C -1.313 173.571 174.900 -0.027 0.000 1.253 214 G CA -0.463 44.604 45.100 -0.055 0.000 0.974 214 G HN 0.703 nan 8.290 nan 0.000 0.483 215 E N -0.408 119.780 120.200 -0.020 0.000 2.292 215 E HA 0.513 4.863 4.350 0.001 0.000 0.272 215 E C -1.378 175.222 176.600 0.001 0.000 0.881 215 E CA -0.647 55.751 56.400 -0.002 0.000 0.754 215 E CB 2.543 32.241 29.700 -0.003 0.000 1.201 215 E HN 0.261 nan 8.360 nan 0.000 0.425 216 V N 4.471 124.393 119.914 0.014 0.000 2.481 216 V HA 0.600 4.720 4.120 0.001 0.000 0.286 216 V C 0.236 176.341 176.094 0.018 0.000 1.042 216 V CA -0.326 61.981 62.300 0.013 0.000 0.928 216 V CB 1.399 33.233 31.823 0.018 0.000 0.986 216 V HN 0.714 nan 8.190 nan 0.000 0.462 236 L N 4.272 125.485 121.223 -0.017 0.000 2.265 236 L HA 0.420 4.760 4.340 0.001 0.000 0.289 236 L C -0.291 176.564 176.870 -0.025 0.000 1.033 236 L CA -0.242 54.586 54.840 -0.021 0.000 0.814 236 L CB 1.152 43.194 42.059 -0.028 0.000 1.203 236 L HN 0.518 nan 8.230 nan 0.000 0.423 237 L N 5.412 126.621 121.223 -0.023 0.000 2.282 237 L HA 0.390 4.731 4.340 0.001 0.000 0.287 237 L C -0.695 176.152 176.870 -0.037 0.000 1.075 237 L CA -0.206 54.618 54.840 -0.027 0.000 0.839 237 L CB 0.358 42.404 42.059 -0.021 0.000 1.219 237 L HN 0.437 nan 8.230 nan 0.000 0.434 238 I N 5.503 126.047 120.570 -0.044 0.000 2.382 238 I HA 0.385 4.556 4.170 0.001 0.000 0.285 238 I C -1.424 174.661 176.117 -0.054 0.000 1.007 238 I CA -1.332 59.934 61.300 -0.057 0.000 1.142 238 I CB 1.154 39.114 38.000 -0.068 0.000 1.289 238 I HN 0.419 nan 8.210 nan 0.000 0.453 239 P HA 0.606 nan 4.420 nan 0.000 0.281 239 P C -0.887 176.383 177.300 -0.051 0.000 1.281 239 P CA -0.703 62.359 63.100 -0.063 0.000 0.811 239 P CB 1.070 32.729 31.700 -0.067 0.000 1.154 240 A N 1.725 124.512 122.820 -0.054 0.000 2.401 240 A HA 0.384 4.704 4.320 0.001 0.000 0.259 240 A C -1.855 175.705 177.584 -0.041 0.000 1.103 240 A CA -1.178 50.833 52.037 -0.043 0.000 0.789 240 A CB -0.812 18.161 19.000 -0.046 0.000 1.035 240 A HN 0.432 nan 8.150 nan 0.000 0.491 241 P HA 0.269 nan 4.420 nan 0.000 0.256 241 P C -1.021 176.262 177.300 -0.029 0.000 1.688 241 P CA 0.516 63.599 63.100 -0.028 0.000 1.162 241 P CB -0.236 31.452 31.700 -0.020 0.000 1.870 242 L N 2.318 123.518 121.223 -0.039 0.000 2.341 242 L HA 0.400 4.741 4.340 0.001 0.000 0.267 242 L C 0.523 177.368 176.870 -0.043 0.000 1.009 242 L CA -1.227 53.587 54.840 -0.043 0.000 0.819 242 L CB 1.735 43.758 42.059 -0.060 0.000 1.323 242 L HN 0.130 nan 8.230 nan 0.000 0.425 243 D N 0.327 120.703 120.400 -0.041 0.000 2.357 243 D HA 0.174 4.814 4.640 0.001 0.000 0.242 243 D C -2.105 174.168 176.300 -0.046 0.000 1.153 243 D CA -1.659 52.319 54.000 -0.038 0.000 0.918 243 D CB 0.384 41.165 40.800 -0.033 0.000 1.181 243 D HN 0.125 nan 8.370 nan 0.000 0.435 244 P HA -0.159 nan 4.420 nan 0.000 0.217 244 P C 1.571 178.840 177.300 -0.051 0.000 1.162 244 P CA 2.377 65.450 63.100 -0.044 0.000 0.901 244 P CB -0.094 31.585 31.700 -0.035 0.000 0.793 245 G N -1.486 107.286 108.800 -0.047 0.000 2.446 245 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 245 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 245 G C 1.467 176.326 174.900 -0.068 0.000 1.168 245 G CA 1.646 46.716 45.100 -0.051 0.000 0.771 245 G HN 0.213 nan 8.290 nan 0.000 0.551 246 T N 0.417 114.927 114.554 -0.073 0.000 2.821 246 T HA -0.120 4.230 4.350 0.001 0.000 0.267 246 T C 2.255 176.878 174.700 -0.129 0.000 1.046 246 T CA 1.409 63.450 62.100 -0.098 0.000 1.139 246 T CB -0.173 68.643 68.868 -0.085 0.000 0.871 246 T HN 0.372 nan 8.240 nan 0.000 0.454 247 Q N 1.080 120.815 119.800 -0.109 0.000 2.124 247 Q HA -0.176 4.164 4.340 0.001 0.000 0.202 247 Q C 1.945 177.869 176.000 -0.127 0.000 0.977 247 Q CA 1.482 57.212 55.803 -0.122 0.000 0.850 247 Q CB -0.092 28.590 28.738 -0.093 0.000 0.901 247 Q HN 0.628 nan 8.270 nan 0.000 0.429 248 E N -0.427 119.713 120.200 -0.100 0.000 2.072 248 E HA -0.117 4.233 4.350 0.001 0.000 0.191 248 E C 1.990 178.529 176.600 -0.102 0.000 0.985 248 E CA 1.640 57.989 56.400 -0.086 0.000 0.801 248 E CB 0.036 29.699 29.700 -0.062 0.000 0.750 248 E HN 0.387 nan 8.360 nan 0.000 0.452 249 T N 0.930 115.412 114.554 -0.121 0.000 2.788 249 T HA -0.121 4.229 4.350 0.001 0.000 0.268 249 T C 2.117 176.684 174.700 -0.221 0.000 1.044 249 T CA 0.866 62.885 62.100 -0.135 0.000 1.139 249 T CB -0.212 68.576 68.868 -0.132 0.000 0.867 249 T HN -0.035 nan 8.240 nan 0.000 0.454 250 V N 1.741 121.456 119.914 -0.332 0.000 2.233 250 V HA -0.278 3.842 4.120 0.001 0.000 0.247 250 V C 2.665 178.561 176.094 -0.331 0.000 1.050 250 V CA 1.851 63.793 62.300 -0.597 0.000 1.010 250 V CB -0.718 30.776 31.823 -0.548 0.000 0.637 250 V HN 0.532 nan 8.190 nan 0.000 0.444 251 Q N -0.521 119.172 119.800 -0.178 0.000 2.096 251 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 251 Q C 2.358 178.345 176.000 -0.022 0.000 0.982 251 Q CA 1.971 57.729 55.803 -0.076 0.000 0.850 251 Q CB -0.271 28.421 28.738 -0.077 0.000 0.901 251 Q HN 0.765 nan 8.270 nan 0.000 0.422 252 E N 1.020 121.198 120.200 -0.037 0.000 2.038 252 E HA -0.214 4.136 4.350 0.001 0.000 0.195 252 E C 1.998 178.626 176.600 0.047 0.000 1.000 252 E CA 0.961 57.362 56.400 0.002 0.000 0.803 252 E CB -0.083 29.607 29.700 -0.017 0.000 0.750 252 E HN 0.331 nan 8.360 nan 0.000 0.448 253 L N 0.419 121.673 121.223 0.052 0.000 2.083 253 L HA -0.144 4.196 4.340 0.001 0.000 0.209 253 L C 2.735 179.759 176.870 0.257 0.000 1.083 253 L CA 0.969 55.904 54.840 0.158 0.000 0.752 253 L CB -0.498 41.698 42.059 0.227 0.000 0.899 253 L HN 0.238 nan 8.230 nan 0.000 0.433 254 A N 0.180 123.190 122.820 0.317 0.000 1.930 254 A HA -0.129 4.191 4.320 0.001 0.000 0.217 254 A C 2.238 179.930 177.584 0.181 0.000 1.175 254 A CA 1.277 53.495 52.037 0.302 0.000 0.627 254 A CB -0.551 18.628 19.000 0.298 0.000 0.815 254 A HN 0.364 nan 8.150 nan 0.000 0.443 255 L N -0.860 120.434 121.223 0.119 0.000 2.109 255 L HA -0.131 4.210 4.340 0.001 0.000 0.207 255 L C 2.590 179.544 176.870 0.140 0.000 1.086 255 L CA 1.681 56.580 54.840 0.097 0.000 0.760 255 L CB -0.401 41.697 42.059 0.064 0.000 0.910 255 L HN 0.467 nan 8.230 nan 0.000 0.437 256 K N 0.713 121.185 120.400 0.120 0.000 2.001 256 K HA -0.154 4.166 4.320 0.001 0.000 0.208 256 K C 2.188 178.842 176.600 0.090 0.000 1.048 256 K CA 1.348 57.693 56.287 0.098 0.000 0.932 256 K CB -0.087 32.463 32.500 0.083 0.000 0.715 256 K HN 0.214 nan 8.250 nan 0.000 0.437 257 A N 0.231 123.111 122.820 0.101 0.000 1.933 257 A HA -0.191 4.129 4.320 0.001 0.000 0.218 257 A C 2.058 179.685 177.584 0.071 0.000 1.175 257 A CA 1.351 53.425 52.037 0.061 0.000 0.628 257 A CB -0.891 18.130 19.000 0.035 0.000 0.814 257 A HN 0.576 nan 8.150 nan 0.000 0.444 258 Y N 0.541 120.833 120.300 -0.013 0.000 2.145 258 Y HA -0.245 4.305 4.550 0.000 0.000 0.286 258 Y C 2.456 178.311 175.900 -0.075 0.000 1.145 258 Y CA 2.456 60.540 58.100 -0.026 0.000 1.148 258 Y CB -0.129 38.338 38.460 0.012 0.000 0.981 258 Y HN 0.357 nan 8.280 nan 0.000 0.507 259 K N -0.660 119.799 120.400 0.098 0.000 2.025 259 K HA -0.127 4.193 4.320 0.001 0.000 0.207 259 K C 1.892 178.415 176.600 -0.127 0.000 1.049 259 K CA 1.610 57.839 56.287 -0.097 0.000 0.933 259 K CB -0.401 32.036 32.500 -0.105 0.000 0.714 259 K HN 0.210 nan 8.250 nan 0.000 0.438 260 V N 1.805 121.684 119.914 -0.057 0.000 2.332 260 V HA -0.242 3.878 4.120 0.001 0.000 0.248 260 V C 2.176 178.221 176.094 -0.081 0.000 1.055 260 V CA 1.676 63.944 62.300 -0.053 0.000 1.038 260 V CB -0.342 31.470 31.823 -0.018 0.000 0.651 260 V HN 0.352 nan 8.190 nan 0.000 0.450 261 L N 0.185 121.345 121.223 -0.106 0.000 2.554 261 L HA 0.228 4.569 4.340 0.001 0.000 0.226 261 L C 1.677 178.442 176.870 -0.175 0.000 1.137 261 L CA 0.775 55.538 54.840 -0.129 0.000 0.863 261 L CB -0.706 41.270 42.059 -0.139 0.000 0.985 261 L HN 0.564 nan 8.230 nan 0.000 0.451 262 G N 0.811 109.481 108.800 -0.216 0.000 2.221 262 G HA2 -0.249 3.712 3.960 0.001 0.000 0.265 262 G HA3 -0.249 3.712 3.960 0.001 0.000 0.265 262 G C 0.212 174.933 174.900 -0.298 0.000 1.041 262 G CA 0.152 45.111 45.100 -0.234 0.000 0.807 262 G HN 0.123 nan 8.290 nan 0.000 0.502 263 V N -0.172 119.439 119.914 -0.504 0.000 2.740 263 V HA 0.393 4.513 4.120 0.001 0.000 0.303 263 V C 1.127 176.916 176.094 -0.509 0.000 1.054 263 V CA 0.279 62.206 62.300 -0.622 0.000 1.106 263 V CB 1.049 32.217 31.823 -1.091 0.000 0.957 263 V HN 0.505 nan 8.190 nan 0.000 0.486 264 R N 1.776 122.130 120.500 -0.244 0.000 2.711 264 R HA 0.653 4.993 4.340 0.001 0.000 0.284 264 R C 1.036 177.338 176.300 0.003 0.000 0.968 264 R CA 0.197 56.246 56.100 -0.085 0.000 0.924 264 R CB 1.775 32.014 30.300 -0.102 0.000 1.162 264 R HN 0.969 nan 8.270 nan 0.000 0.465 265 G N 1.950 110.789 108.800 0.066 0.000 5.356 265 G HA2 -0.350 3.611 3.960 0.001 0.000 0.309 265 G HA3 -0.350 3.611 3.960 0.001 0.000 0.309 265 G C -0.053 174.941 174.900 0.156 0.000 1.451 265 G CA 0.727 45.857 45.100 0.050 0.000 0.978 265 G HN 0.629 nan 8.290 nan 0.000 0.771 266 M N -1.640 118.073 119.600 0.188 0.000 2.880 266 M HA 0.820 5.301 4.480 0.001 0.000 0.269 266 M C -0.944 175.521 176.300 0.274 0.000 1.248 266 M CA -0.331 55.119 55.300 0.250 0.000 0.821 266 M CB 1.923 34.562 32.600 0.066 0.000 1.650 266 M HN 2.348 nan 8.290 nan 0.000 0.479 267 A N 1.069 124.061 122.820 0.286 0.000 2.585 267 A HA 0.670 4.990 4.320 0.001 0.000 0.299 267 A C -1.923 175.828 177.584 0.278 0.000 1.047 267 A CA -0.737 51.446 52.037 0.243 0.000 0.723 267 A CB 1.698 20.943 19.000 0.408 0.000 1.275 267 A HN 0.911 nan 8.150 nan 0.000 0.408 268 R N 1.881 122.485 120.500 0.174 0.000 2.265 268 R HA 0.603 4.943 4.340 0.001 0.000 0.328 268 R C -1.391 174.973 176.300 0.107 0.000 0.969 268 R CA -0.326 55.913 56.100 0.231 0.000 0.832 268 R CB 1.152 31.570 30.300 0.197 0.000 1.139 268 R HN 0.557 nan 8.270 nan 0.000 0.457 269 V N 4.746 124.724 119.914 0.106 0.000 2.383 269 V HA 0.212 4.332 4.120 0.001 0.000 0.275 269 V C -0.384 175.662 176.094 -0.081 0.000 1.036 269 V CA -0.693 61.590 62.300 -0.029 0.000 0.889 269 V CB 1.439 33.275 31.823 0.022 0.000 0.985 269 V HN 0.710 nan 8.190 nan 0.000 0.459 270 D N 4.425 124.670 120.400 -0.259 0.000 2.193 270 D HA 0.624 5.264 4.640 0.001 0.000 0.244 270 D C -0.628 175.390 176.300 -0.471 0.000 1.064 270 D CA 0.052 53.908 54.000 -0.240 0.000 0.845 270 D CB 1.750 42.393 40.800 -0.262 0.000 1.148 270 D HN 0.269 nan 8.370 nan 0.000 0.464 271 F N 0.702 120.508 119.950 -0.240 0.000 2.593 271 F HA 0.520 5.047 4.527 0.000 0.000 0.320 271 F C -0.206 175.468 175.800 -0.210 0.000 1.060 271 F CA -1.017 56.849 58.000 -0.223 0.000 0.940 271 F CB 1.194 40.150 39.000 -0.073 0.000 1.268 271 F HN 0.090 nan 8.300 nan 0.000 0.475 272 F N 1.900 122.004 119.950 0.255 0.000 2.492 272 F HA 0.670 5.198 4.527 0.001 0.000 0.327 272 F C -0.651 175.286 175.800 0.227 0.000 1.079 272 F CA -1.172 56.926 58.000 0.163 0.000 0.967 272 F CB 1.763 40.816 39.000 0.089 0.000 1.169 272 F HN 0.132 nan 8.300 nan 0.000 0.472 273 L N 2.842 124.277 121.223 0.355 0.000 2.376 273 L HA 0.883 5.223 4.340 0.001 0.000 0.275 273 L C -1.212 175.770 176.870 0.187 0.000 0.987 273 L CA -0.403 54.573 54.840 0.227 0.000 0.828 273 L CB 1.195 43.325 42.059 0.117 0.000 1.249 273 L HN 0.665 nan 8.230 nan 0.000 0.409 274 A N 3.424 126.369 122.820 0.209 0.000 2.459 274 A HA 0.683 5.003 4.320 0.001 0.000 0.296 274 A C 0.079 177.746 177.584 0.137 0.000 1.039 274 A CA -0.281 51.841 52.037 0.142 0.000 0.698 274 A CB 1.104 20.169 19.000 0.108 0.000 1.261 274 A HN 0.744 nan 8.150 nan 0.000 0.405 275 E N 0.571 120.817 120.200 0.078 0.000 2.586 275 E HA -0.194 4.157 4.350 0.001 0.000 0.259 275 E C 1.112 177.741 176.600 0.049 0.000 1.107 275 E CA 2.474 58.910 56.400 0.060 0.000 0.754 275 E CB -1.416 28.328 29.700 0.073 0.000 1.335 275 E HN 2.576 nan 8.360 nan 0.000 0.411 276 G N -1.279 107.546 108.800 0.042 0.000 2.162 276 G HA2 -0.339 3.621 3.960 0.001 0.000 0.260 276 G HA3 -0.339 3.621 3.960 0.001 0.000 0.260 276 G C -0.053 174.845 174.900 -0.002 0.000 0.976 276 G CA 0.517 45.626 45.100 0.015 0.000 0.655 276 G HN 0.221 nan 8.290 nan 0.000 0.533 277 E N -0.393 119.818 120.200 0.019 0.000 2.191 277 E HA 0.680 5.031 4.350 0.001 0.000 0.274 277 E C 0.342 176.866 176.600 -0.126 0.000 0.948 277 E CA -0.668 55.680 56.400 -0.088 0.000 0.802 277 E CB 1.665 31.294 29.700 -0.120 0.000 1.137 277 E HN 0.310 nan 8.360 nan 0.000 0.397 278 L N 2.425 123.491 121.223 -0.262 0.000 2.334 278 L HA 0.438 4.778 4.340 0.001 0.000 0.275 278 L C -0.872 175.803 176.870 -0.324 0.000 1.036 278 L CA -0.739 54.019 54.840 -0.137 0.000 0.807 278 L CB 0.663 42.661 42.059 -0.102 0.000 1.231 278 L HN 0.435 nan 8.230 nan 0.000 0.438 279 Y N 2.440 122.890 120.300 0.250 0.000 2.396 279 Y HA 0.360 4.910 4.550 0.001 0.000 0.332 279 Y C -0.408 175.579 175.900 0.145 0.000 1.034 279 Y CA -0.552 57.666 58.100 0.197 0.000 1.057 279 Y CB 1.900 40.481 38.460 0.201 0.000 1.220 279 Y HN 0.358 nan 8.280 nan 0.000 0.440 280 L N 3.410 124.693 121.223 0.101 0.000 2.315 280 L HA 0.253 4.594 4.340 0.001 0.000 0.283 280 L C 0.616 177.272 176.870 -0.358 0.000 1.089 280 L CA 0.092 54.681 54.840 -0.419 0.000 0.833 280 L CB 0.683 42.473 42.059 -0.448 0.000 1.170 280 L HN 0.837 nan 8.230 nan 0.000 0.442 281 N N 3.296 121.673 118.700 -0.538 0.000 2.197 281 N HA -0.033 4.708 4.740 0.001 0.000 0.184 281 N C -0.478 174.802 175.510 -0.385 0.000 1.030 281 N CA 1.193 53.944 53.050 -0.499 0.000 0.851 281 N CB 0.433 38.372 38.487 -0.914 0.000 1.003 281 N HN 0.784 nan 8.380 nan 0.000 0.430 282 E N -1.459 118.500 120.200 -0.402 0.000 2.409 282 E HA 0.330 4.680 4.350 0.001 0.000 0.280 282 E C -1.775 174.676 176.600 -0.247 0.000 1.079 282 E CA -0.806 55.424 56.400 -0.283 0.000 0.840 282 E CB 0.619 30.190 29.700 -0.214 0.000 1.309 282 E HN -0.045 nan 8.360 nan 0.000 0.447 283 L N 2.024 123.147 121.223 -0.167 0.000 2.287 283 L HA 0.408 4.748 4.340 0.001 0.000 0.287 283 L C -0.610 176.223 176.870 -0.062 0.000 1.022 283 L CA -0.559 54.224 54.840 -0.095 0.000 0.814 283 L CB 1.348 43.368 42.059 -0.065 0.000 1.217 283 L HN 0.430 nan 8.230 nan 0.000 0.420 284 N N 1.669 120.351 118.700 -0.030 0.000 2.462 284 N HA 0.142 4.882 4.740 0.001 0.000 0.242 284 N C 0.938 176.455 175.510 0.011 0.000 1.010 284 N CA -0.009 53.031 53.050 -0.017 0.000 0.939 284 N CB 1.741 40.216 38.487 -0.020 0.000 1.127 284 N HN 0.699 nan 8.380 nan 0.000 0.509 285 T N -1.063 113.497 114.554 0.011 0.000 2.995 285 T HA 0.102 4.453 4.350 0.001 0.000 0.269 285 T C 0.963 175.687 174.700 0.041 0.000 1.091 285 T CA 0.788 62.900 62.100 0.020 0.000 1.128 285 T CB 0.129 69.000 68.868 0.005 0.000 0.891 285 T HN 0.420 nan 8.240 nan 0.000 0.492 286 I N 3.262 123.881 120.570 0.082 0.000 2.782 286 I HA 0.328 4.498 4.170 0.001 0.000 0.279 286 I C -2.623 173.628 176.117 0.224 0.000 1.247 286 I CA -2.464 58.937 61.300 0.168 0.000 1.062 286 I CB 1.870 39.993 38.000 0.207 0.000 1.421 286 I HN 0.042 nan 8.210 nan 0.000 0.558 287 P HA 0.140 nan 4.420 nan 0.000 0.276 287 P C 0.379 177.798 177.300 0.197 0.000 1.252 287 P CA -0.012 63.136 63.100 0.081 0.000 0.802 287 P CB 0.861 32.590 31.700 0.048 0.000 1.035 288 G N 0.104 108.914 108.800 0.017 0.000 2.321 288 G HA2 0.013 3.974 3.960 0.001 0.000 0.237 288 G HA3 0.013 3.974 3.960 0.001 0.000 0.237 288 G C -0.541 174.521 174.900 0.270 0.000 1.282 288 G CA -0.154 45.000 45.100 0.090 0.000 0.886 288 G HN 0.451 nan 8.290 nan 0.000 0.528 289 F N 1.271 121.330 119.950 0.182 0.000 2.764 289 F HA 0.225 4.753 4.527 0.000 0.000 0.310 289 F C 1.642 177.563 175.800 0.202 0.000 1.124 289 F CA -0.273 57.869 58.000 0.238 0.000 1.252 289 F CB 0.471 39.621 39.000 0.251 0.000 1.010 289 F HN 0.586 nan 8.300 nan 0.000 0.518 290 T N -2.416 112.219 114.554 0.135 0.000 2.860 290 T HA 0.168 4.518 4.350 0.001 0.000 0.299 290 T C -1.649 172.917 174.700 -0.223 0.000 1.045 290 T CA -1.542 60.565 62.100 0.012 0.000 1.071 290 T CB 1.266 70.128 68.868 -0.010 0.000 0.985 290 T HN -0.111 nan 8.240 nan 0.000 0.537 291 P HA -0.007 nan 4.420 nan 0.000 0.227 291 P C 1.014 178.070 177.300 -0.408 0.000 1.145 291 P CA 0.949 63.579 63.100 -0.783 0.000 0.769 291 P CB -0.118 31.147 31.700 -0.725 0.000 0.769 292 T N -7.174 107.237 114.554 -0.239 0.000 3.145 292 T HA 0.273 4.623 4.350 0.001 0.000 0.281 292 T C 0.618 175.255 174.700 -0.105 0.000 1.003 292 T CA -0.318 61.692 62.100 -0.149 0.000 0.901 292 T CB -0.325 68.481 68.868 -0.103 0.000 1.112 292 T HN -0.196 nan 8.240 nan 0.000 0.535 293 S N 1.597 117.234 115.700 -0.106 0.000 2.614 293 S HA 0.407 4.877 4.470 0.001 0.000 0.265 293 S C 1.273 175.843 174.600 -0.050 0.000 1.303 293 S CA -0.660 57.507 58.200 -0.055 0.000 1.000 293 S CB 1.094 64.279 63.200 -0.024 0.000 0.935 293 S HN 0.347 nan 8.310 nan 0.000 0.551 294 M N 1.614 121.206 119.600 -0.014 0.000 2.065 294 M HA -0.135 4.345 4.480 0.001 0.000 0.259 294 M C 1.707 178.010 176.300 0.005 0.000 1.069 294 M CA 1.860 57.154 55.300 -0.009 0.000 1.110 294 M CB -0.840 31.767 32.600 0.012 0.000 1.328 294 M HN 0.801 nan 8.290 nan 0.000 0.405 295 Y N 0.400 120.668 120.300 -0.052 0.000 2.081 295 Y HA -0.171 4.379 4.550 0.000 0.000 0.280 295 Y C -0.915 174.977 175.900 -0.012 0.000 1.163 295 Y CA 2.518 60.614 58.100 -0.006 0.000 1.135 295 Y CB -1.842 36.634 38.460 0.027 0.000 0.970 295 Y HN 0.255 nan 8.280 nan 0.000 0.498 296 P HA -0.134 nan 4.420 nan 0.000 0.216 296 P C 1.257 178.508 177.300 -0.083 0.000 1.153 296 P CA 2.217 65.251 63.100 -0.110 0.000 0.848 296 P CB -0.074 31.528 31.700 -0.164 0.000 0.787 297 R N -1.094 119.340 120.500 -0.109 0.000 2.096 297 R HA -0.099 4.241 4.340 0.001 0.000 0.235 297 R C 2.066 178.295 176.300 -0.118 0.000 1.127 297 R CA 0.979 57.019 56.100 -0.100 0.000 0.968 297 R CB -1.205 29.038 30.300 -0.095 0.000 0.861 297 R HN 0.150 nan 8.270 nan 0.000 0.440 298 L N -0.271 120.847 121.223 -0.175 0.000 2.012 298 L HA -0.145 4.195 4.340 0.001 0.000 0.210 298 L C 2.012 178.669 176.870 -0.355 0.000 1.073 298 L CA 1.718 56.390 54.840 -0.279 0.000 0.748 298 L CB -0.697 41.142 42.059 -0.367 0.000 0.891 298 L HN 0.031 nan 8.230 nan 0.000 0.431 299 F N -0.207 119.590 119.950 -0.255 0.000 2.325 299 F HA -0.150 4.377 4.527 0.001 0.000 0.299 299 F C 2.486 178.220 175.800 -0.110 0.000 1.090 299 F CA 1.145 59.023 58.000 -0.203 0.000 1.392 299 F CB -0.314 38.523 39.000 -0.273 0.000 1.053 299 F HN 0.196 nan 8.300 nan 0.000 0.521 300 E N 0.695 120.926 120.200 0.051 0.000 2.077 300 E HA -0.181 4.169 4.350 0.001 0.000 0.193 300 E C 2.158 178.757 176.600 -0.001 0.000 0.989 300 E CA 1.443 57.864 56.400 0.035 0.000 0.800 300 E CB -0.356 29.345 29.700 0.002 0.000 0.746 300 E HN 0.217 nan 8.360 nan 0.000 0.452 301 A N -0.023 122.767 122.820 -0.050 0.000 2.067 301 A HA 0.055 4.375 4.320 0.001 0.000 0.219 301 A C 2.201 179.748 177.584 -0.062 0.000 1.158 301 A CA 1.271 53.269 52.037 -0.065 0.000 0.661 301 A CB -0.780 18.160 19.000 -0.100 0.000 0.801 301 A HN 0.360 nan 8.150 nan 0.000 0.452 302 G N -1.812 106.949 108.800 -0.064 0.000 3.181 302 G HA2 0.387 4.348 3.960 0.001 0.000 0.219 302 G HA3 0.387 4.348 3.960 0.001 0.000 0.219 302 G C 1.017 175.939 174.900 0.038 0.000 1.182 302 G CA 0.430 45.508 45.100 -0.036 0.000 0.791 302 G HN 1.557 nan 8.290 nan 0.000 0.537 303 G N -1.159 107.664 108.800 0.037 0.000 2.137 303 G HA2 -0.185 3.776 3.960 0.001 0.000 0.237 303 G HA3 -0.185 3.776 3.960 0.001 0.000 0.237 303 G C -0.063 174.878 174.900 0.069 0.000 1.002 303 G CA 0.085 45.212 45.100 0.045 0.000 0.702 303 G HN 0.859 nan 8.290 nan 0.000 0.515 304 V N 0.770 120.745 119.914 0.101 0.000 2.325 304 V HA 0.749 4.870 4.120 0.001 0.000 0.280 304 V C 0.835 176.989 176.094 0.101 0.000 1.016 304 V CA -0.590 61.769 62.300 0.098 0.000 0.818 304 V CB 0.958 32.851 31.823 0.116 0.000 1.019 304 V HN 1.159 nan 8.190 nan 0.000 0.434 305 A N 3.123 125.995 122.820 0.087 0.000 2.466 305 A HA 0.264 4.585 4.320 0.001 0.000 0.238 305 A C 0.882 178.563 177.584 0.162 0.000 1.074 305 A CA 0.186 52.292 52.037 0.115 0.000 0.774 305 A CB 0.015 19.074 19.000 0.098 0.000 1.015 305 A HN 0.838 nan 8.150 nan 0.000 0.498 306 Y N 2.633 122.958 120.300 0.042 0.000 2.069 306 Y HA -0.149 4.401 4.550 0.000 0.000 0.278 306 Y C -0.761 175.208 175.900 0.114 0.000 1.175 306 Y CA 2.823 60.953 58.100 0.050 0.000 1.134 306 Y CB -1.368 37.072 38.460 -0.033 0.000 0.965 306 Y HN 0.531 nan 8.280 nan 0.000 0.498 307 P HA -0.160 nan 4.420 nan 0.000 0.217 307 P C 1.389 178.676 177.300 -0.023 0.000 1.150 307 P CA 2.189 65.297 63.100 0.014 0.000 0.832 307 P CB -0.006 31.738 31.700 0.073 0.000 0.787 308 E N -0.379 119.830 120.200 0.015 0.000 2.106 308 E HA -0.163 4.187 4.350 0.001 0.000 0.192 308 E C 1.774 178.381 176.600 0.010 0.000 0.984 308 E CA 0.759 57.164 56.400 0.008 0.000 0.806 308 E CB -1.202 28.511 29.700 0.022 0.000 0.750 308 E HN -0.015 nan 8.360 nan 0.000 0.458 309 L N 0.212 121.448 121.223 0.022 0.000 2.017 309 L HA -0.099 4.241 4.340 0.001 0.000 0.208 309 L C 2.118 179.035 176.870 0.078 0.000 1.073 309 L CA 1.733 56.594 54.840 0.035 0.000 0.745 309 L CB -0.613 41.508 42.059 0.102 0.000 0.894 309 L HN 0.282 nan 8.230 nan 0.000 0.432 310 L N -0.798 120.462 121.223 0.062 0.000 2.083 310 L HA -0.195 4.145 4.340 0.001 0.000 0.209 310 L C 2.784 179.724 176.870 0.117 0.000 1.083 310 L CA 1.482 56.380 54.840 0.095 0.000 0.752 310 L CB -0.613 41.473 42.059 0.044 0.000 0.899 310 L HN 0.329 nan 8.230 nan 0.000 0.433 311 R N 0.572 121.125 120.500 0.088 0.000 2.073 311 R HA -0.167 4.173 4.340 0.001 0.000 0.234 311 R C 2.479 178.868 176.300 0.148 0.000 1.134 311 R CA 1.482 57.684 56.100 0.170 0.000 0.952 311 R CB -0.076 30.245 30.300 0.035 0.000 0.850 311 R HN 0.280 nan 8.270 nan 0.000 0.433 312 R N 0.246 120.782 120.500 0.059 0.000 2.081 312 R HA -0.096 4.244 4.340 0.001 0.000 0.235 312 R C 2.459 178.753 176.300 -0.010 0.000 1.131 312 R CA 1.483 57.594 56.100 0.019 0.000 0.960 312 R CB -0.405 29.882 30.300 -0.022 0.000 0.856 312 R HN 0.268 nan 8.270 nan 0.000 0.436 313 L N 0.222 121.427 121.223 -0.030 0.000 2.012 313 L HA -0.199 4.141 4.340 0.001 0.000 0.210 313 L C 2.400 179.179 176.870 -0.152 0.000 1.073 313 L CA 1.136 55.902 54.840 -0.123 0.000 0.748 313 L CB -0.471 41.445 42.059 -0.238 0.000 0.891 313 L HN 0.045 nan 8.230 nan 0.000 0.431 314 V N -0.567 119.294 119.914 -0.088 0.000 2.343 314 V HA -0.227 3.893 4.120 0.001 0.000 0.247 314 V C 2.518 178.555 176.094 -0.095 0.000 1.051 314 V CA 1.553 63.790 62.300 -0.105 0.000 1.036 314 V CB -0.459 31.330 31.823 -0.058 0.000 0.654 314 V HN 0.427 nan 8.190 nan 0.000 0.451 315 E N 0.043 120.227 120.200 -0.026 0.000 2.106 315 E HA -0.149 4.202 4.350 0.001 0.000 0.192 315 E C 2.225 178.796 176.600 -0.047 0.000 0.984 315 E CA 1.068 57.455 56.400 -0.023 0.000 0.806 315 E CB -0.240 29.474 29.700 0.023 0.000 0.750 315 E HN 0.517 nan 8.360 nan 0.000 0.458 316 L N 0.446 121.637 121.223 -0.054 0.000 2.141 316 L HA -0.121 4.220 4.340 0.001 0.000 0.209 316 L C 2.455 179.267 176.870 -0.098 0.000 1.094 316 L CA 0.940 55.745 54.840 -0.058 0.000 0.763 316 L CB -0.407 41.623 42.059 -0.049 0.000 0.908 316 L HN 0.048 nan 8.230 nan 0.000 0.437 317 A N -0.333 122.407 122.820 -0.133 0.000 2.067 317 A HA -0.063 4.258 4.320 0.001 0.000 0.219 317 A C 2.050 179.540 177.584 -0.156 0.000 1.158 317 A CA 1.037 52.968 52.037 -0.178 0.000 0.661 317 A CB -0.407 18.480 19.000 -0.189 0.000 0.801 317 A HN 0.413 nan 8.150 nan 0.000 0.452 318 L N -1.090 120.064 121.223 -0.115 0.000 2.592 318 L HA 0.132 4.472 4.340 0.001 0.000 0.227 318 L C 1.022 177.847 176.870 -0.074 0.000 1.127 318 L CA 0.222 55.006 54.840 -0.094 0.000 0.884 318 L CB 0.081 42.090 42.059 -0.083 0.000 1.065 318 L HN 0.346 nan 8.230 nan 0.000 0.457 319 T N 0.000 114.511 114.554 -0.072 0.000 3.816 319 T HA 0.000 4.350 4.350 0.001 0.000 0.228 319 T CA 0.000 62.071 62.100 -0.048 0.000 1.349 319 T CB 0.000 68.852 68.868 -0.027 0.000 0.612 319 T HN 0.000 nan 8.240 nan 0.000 0.658