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 3kft_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKLFTPLKVG AVTAPNRVFM APLTRLRSIE PGDIPTPLMG EYYRQRASAG DATA SEQUENCE LIISEATQIS AQAKGYAGAP GLHSPEQIAA WKKITAGVHA EDGRIAVQLW DATA SEQUENCE HTGRISHSSI QPGGQAPVSA SALNANTRTS LRDENGNAIR VDTTTPRALE DATA SEQUENCE LDEIPGIVND FRQAVANARE AGFDLVELHS AHGYLLHQFL SPSSNQRTDQ DATA SEQUENCE YGGSVENRAR LVLEVVDAVC NEWSADRIGI RVSPIGTFQN VDNGPNEEAD DATA SEQUENCE ALYLIEELAK RGIAYLHMSE TDXXXXKPYS EAFRQKVRER FHGVIIGAGA DATA SEQUENCE YTAEKAEDLI GKGLIDAVAF GRDYIANPDL VARLQKKAEL NPQRPESFYG DATA SEQUENCE GGAEGYTDYP SL 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.685 176.600 0.141 0.000 1.382 3 E CA 0.000 56.480 56.400 0.134 0.000 0.976 3 E CB 0.000 29.825 29.700 0.209 0.000 0.812 4 K N 1.385 121.816 120.400 0.052 0.000 2.283 4 K HA 0.032 4.352 4.320 -0.000 0.000 0.202 4 K C 1.672 178.226 176.600 -0.077 0.000 1.048 4 K CA 0.653 56.942 56.287 0.004 0.000 0.948 4 K CB 0.012 32.500 32.500 -0.019 0.000 0.742 4 K HN 0.519 nan 8.250 nan 0.000 0.458 5 L N 0.087 121.186 121.223 -0.206 0.000 2.129 5 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 5 L C 1.021 177.511 176.870 -0.634 0.000 1.087 5 L CA 1.381 55.897 54.840 -0.539 0.000 0.757 5 L CB -0.165 41.358 42.059 -0.893 0.000 0.896 5 L HN 0.141 nan 8.230 nan 0.000 0.434 6 F N -1.327 118.636 119.950 0.022 0.000 2.750 6 F HA 0.146 4.673 4.527 -0.000 0.000 0.297 6 F C 0.992 176.806 175.800 0.024 0.000 1.138 6 F CA -0.588 57.429 58.000 0.027 0.000 1.346 6 F CB -0.264 38.748 39.000 0.021 0.000 0.965 6 F HN -0.116 nan 8.300 nan 0.000 0.514 7 T N -1.736 112.873 114.554 0.093 0.000 2.855 7 T HA 0.567 4.917 4.350 -0.000 0.000 0.281 7 T C -2.771 171.956 174.700 0.045 0.000 1.007 7 T CA -2.784 59.358 62.100 0.070 0.000 1.009 7 T CB 2.287 71.183 68.868 0.046 0.000 0.983 7 T HN -0.255 nan 8.240 nan 0.000 0.455 8 P HA 0.436 nan 4.420 nan 0.000 0.270 8 P C -1.029 176.292 177.300 0.036 0.000 1.227 8 P CA -0.615 62.514 63.100 0.048 0.000 0.788 8 P CB 0.323 32.047 31.700 0.039 0.000 0.926 9 L N 0.090 121.341 121.223 0.047 0.000 2.565 9 L HA 0.482 4.822 4.340 -0.000 0.000 0.261 9 L C -1.033 175.866 176.870 0.049 0.000 0.932 9 L CA -0.896 53.969 54.840 0.042 0.000 0.878 9 L CB 2.014 44.098 42.059 0.043 0.000 1.333 9 L HN 0.015 nan 8.230 nan 0.000 0.409 10 K N 3.331 123.749 120.400 0.031 0.000 2.312 10 K HA 0.639 4.959 4.320 -0.000 0.000 0.287 10 K C -1.448 175.176 176.600 0.039 0.000 1.062 10 K CA -0.143 56.158 56.287 0.024 0.000 0.934 10 K CB 0.901 33.407 32.500 0.010 0.000 1.027 10 K HN 0.420 nan 8.250 nan 0.000 0.478 11 V N 5.695 125.633 119.914 0.041 0.000 2.305 11 V HA 0.448 4.567 4.120 -0.000 0.000 0.275 11 V C 0.977 177.100 176.094 0.048 0.000 1.020 11 V CA -0.013 62.331 62.300 0.072 0.000 0.811 11 V CB 0.162 32.029 31.823 0.074 0.000 1.031 11 V HN 1.058 nan 8.190 nan 0.000 0.439 12 G N 4.989 113.811 108.800 0.037 0.000 2.629 12 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.313 12 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.313 12 G C 0.988 175.860 174.900 -0.046 0.000 1.217 12 G CA 0.722 45.809 45.100 -0.022 0.000 0.994 12 G HN 1.538 nan 8.290 nan 0.000 0.549 13 A N -0.700 122.070 122.820 -0.084 0.000 2.307 13 A HA 0.666 4.986 4.320 -0.000 0.000 0.218 13 A C 0.654 178.202 177.584 -0.060 0.000 1.228 13 A CA 1.389 53.377 52.037 -0.083 0.000 0.857 13 A CB 0.149 19.071 19.000 -0.131 0.000 0.897 13 A HN 1.381 nan 8.150 nan 0.000 0.495 14 V N -0.359 119.527 119.914 -0.047 0.000 2.864 14 V HA 0.496 4.616 4.120 -0.000 0.000 0.314 14 V C -0.413 175.667 176.094 -0.024 0.000 1.073 14 V CA -0.338 61.939 62.300 -0.039 0.000 0.956 14 V CB 2.308 34.103 31.823 -0.046 0.000 1.023 14 V HN 0.225 nan 8.190 nan 0.000 0.435 15 T N 3.860 118.401 114.554 -0.021 0.000 2.791 15 T HA 0.642 4.992 4.350 -0.000 0.000 0.288 15 T C -0.165 174.533 174.700 -0.002 0.000 0.999 15 T CA -0.200 61.897 62.100 -0.005 0.000 0.952 15 T CB 1.315 70.183 68.868 -0.001 0.000 0.938 15 T HN 0.897 nan 8.240 nan 0.000 0.444 16 A N 5.081 127.911 122.820 0.016 0.000 2.328 16 A HA 0.608 4.928 4.320 -0.000 0.000 0.284 16 A C -1.585 176.037 177.584 0.064 0.000 1.160 16 A CA -1.636 50.420 52.037 0.031 0.000 0.818 16 A CB 0.447 19.503 19.000 0.094 0.000 1.087 16 A HN 0.471 nan 8.150 nan 0.000 0.504 17 P HA -0.047 nan 4.420 nan 0.000 0.223 17 P C -0.100 177.261 177.300 0.102 0.000 1.151 17 P CA 1.362 64.505 63.100 0.072 0.000 0.787 17 P CB 0.027 31.769 31.700 0.069 0.000 0.788 18 N N -2.318 116.460 118.700 0.129 0.000 3.243 18 N HA 0.276 5.015 4.740 -0.000 0.000 0.280 18 N C -0.286 175.320 175.510 0.160 0.000 1.545 18 N CA -0.949 52.177 53.050 0.128 0.000 0.854 18 N CB 0.525 39.116 38.487 0.173 0.000 1.612 18 N HN -0.368 nan 8.380 nan 0.000 0.577 19 R N -0.431 120.076 120.500 0.012 0.000 2.596 19 R HA 0.319 4.659 4.340 -0.000 0.000 0.369 19 R C -0.669 175.499 176.300 -0.221 0.000 1.042 19 R CA -0.260 55.737 56.100 -0.172 0.000 1.120 19 R CB 0.553 30.680 30.300 -0.288 0.000 1.353 19 R HN 0.317 nan 8.270 nan 0.000 0.564 20 V N 2.946 122.916 119.914 0.093 0.000 2.304 20 V HA 0.252 4.372 4.120 -0.000 0.000 0.262 20 V C -0.333 176.089 176.094 0.546 0.000 1.061 20 V CA -0.194 62.270 62.300 0.273 0.000 0.872 20 V CB -0.041 31.938 31.823 0.260 0.000 1.077 20 V HN 0.018 nan 8.190 nan 0.000 0.480 21 F N 3.559 123.552 119.950 0.073 0.000 2.397 21 F HA 0.530 5.057 4.527 -0.000 0.000 0.331 21 F C 0.394 176.178 175.800 -0.028 0.000 1.090 21 F CA -1.940 56.024 58.000 -0.060 0.000 1.065 21 F CB 1.690 40.545 39.000 -0.242 0.000 1.184 21 F HN 0.345 nan 8.300 nan 0.000 0.499 22 M N 3.214 122.708 119.600 -0.177 0.000 2.108 22 M HA 0.521 5.001 4.480 -0.000 0.000 0.347 22 M C -0.130 176.104 176.300 -0.110 0.000 1.326 22 M CA -0.441 54.595 55.300 -0.439 0.000 1.126 22 M CB 0.276 32.311 32.600 -0.943 0.000 1.606 22 M HN 0.701 nan 8.290 nan 0.000 0.462 23 A N 7.503 130.345 122.820 0.036 0.000 2.492 23 A HA 0.385 4.705 4.320 -0.000 0.000 0.236 23 A C -2.442 175.175 177.584 0.055 0.000 1.078 23 A CA -0.964 51.127 52.037 0.090 0.000 0.773 23 A CB -0.789 18.283 19.000 0.120 0.000 1.023 23 A HN 0.632 nan 8.150 nan 0.000 0.504 24 P HA 0.311 nan 4.420 nan 0.000 0.271 24 P C -1.107 176.208 177.300 0.026 0.000 1.220 24 P CA 0.480 63.578 63.100 -0.003 0.000 0.768 24 P CB 0.296 31.925 31.700 -0.118 0.000 0.848 25 L N 3.071 124.334 121.223 0.067 0.000 2.415 25 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 25 L C 0.337 177.244 176.870 0.061 0.000 0.984 25 L CA -0.424 54.455 54.840 0.065 0.000 0.853 25 L CB 1.546 43.654 42.059 0.082 0.000 1.215 25 L HN 0.185 nan 8.230 nan 0.000 0.419 26 T N 3.198 117.771 114.554 0.031 0.000 2.829 26 T HA 0.129 4.479 4.350 -0.000 0.000 0.293 26 T C 1.037 175.811 174.700 0.123 0.000 0.970 26 T CA -0.100 62.021 62.100 0.035 0.000 1.168 26 T CB 0.470 69.345 68.868 0.012 0.000 0.911 26 T HN 0.428 nan 8.240 nan 0.000 0.535 27 R N 2.187 122.723 120.500 0.061 0.000 2.419 27 R HA 0.257 4.597 4.340 -0.000 0.000 0.235 27 R C 0.782 177.080 176.300 -0.003 0.000 0.899 27 R CA -0.191 55.900 56.100 -0.016 0.000 1.048 27 R CB -0.276 29.899 30.300 -0.210 0.000 1.182 27 R HN 0.709 nan 8.270 nan 0.000 0.544 28 L N 2.068 123.320 121.223 0.049 0.000 3.634 28 L HA -0.262 4.078 4.340 -0.000 0.000 0.423 28 L C 0.251 177.104 176.870 -0.029 0.000 1.253 28 L CA 0.594 55.475 54.840 0.070 0.000 0.885 28 L CB -1.066 41.096 42.059 0.170 0.000 1.789 28 L HN 0.175 nan 8.230 nan 0.000 0.904 29 R N -1.665 118.758 120.500 -0.129 0.000 2.577 29 R HA 0.307 4.647 4.340 -0.000 0.000 0.344 29 R C 0.616 176.846 176.300 -0.117 0.000 1.037 29 R CA -0.194 55.796 56.100 -0.183 0.000 1.102 29 R CB 0.788 30.839 30.300 -0.414 0.000 1.313 29 R HN 0.212 nan 8.270 nan 0.000 0.561 30 S N 1.237 116.901 115.700 -0.059 0.000 2.614 30 S HA 0.312 4.782 4.470 -0.000 0.000 0.265 30 S C 0.623 175.201 174.600 -0.037 0.000 1.303 30 S CA -0.422 57.747 58.200 -0.052 0.000 1.000 30 S CB 1.149 64.339 63.200 -0.016 0.000 0.935 30 S HN 0.120 nan 8.310 nan 0.000 0.551 31 I N 1.679 122.223 120.570 -0.044 0.000 2.441 31 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 31 I C 0.442 176.553 176.117 -0.009 0.000 1.049 31 I CA 0.253 61.535 61.300 -0.029 0.000 1.381 31 I CB 0.596 38.573 38.000 -0.039 0.000 1.409 31 I HN 0.590 nan 8.210 nan 0.000 0.523 32 E N 6.546 126.746 120.200 0.001 0.000 2.212 32 E HA 0.472 4.822 4.350 -0.000 0.000 0.268 32 E C -2.194 174.410 176.600 0.007 0.000 0.902 32 E CA -1.707 54.699 56.400 0.011 0.000 0.779 32 E CB 1.307 31.019 29.700 0.021 0.000 1.172 32 E HN 0.400 nan 8.360 nan 0.000 0.409 33 P HA 0.342 nan 4.420 nan 0.000 0.276 33 P C 0.432 177.741 177.300 0.016 0.000 1.261 33 P CA -0.193 62.918 63.100 0.018 0.000 0.800 33 P CB 0.685 32.396 31.700 0.019 0.000 1.066 34 G N -0.466 108.351 108.800 0.029 0.000 2.238 34 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 34 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 34 G C -0.146 174.762 174.900 0.014 0.000 0.996 34 G CA 0.094 45.206 45.100 0.020 0.000 0.632 34 G HN 0.592 nan 8.290 nan 0.000 0.503 35 D N 0.080 120.497 120.400 0.028 0.000 2.697 35 D HA -0.171 4.469 4.640 -0.000 0.000 0.238 35 D C 0.541 176.832 176.300 -0.015 0.000 1.152 35 D CA 1.647 55.672 54.000 0.041 0.000 0.666 35 D CB -1.591 39.273 40.800 0.107 0.000 1.037 35 D HN 0.819 nan 8.370 nan 0.000 0.423 36 I N -0.379 120.155 120.570 -0.059 0.000 2.359 36 I HA 0.318 4.488 4.170 -0.000 0.000 0.294 36 I C -2.020 173.972 176.117 -0.208 0.000 0.987 36 I CA -2.116 59.104 61.300 -0.133 0.000 1.225 36 I CB 1.446 39.385 38.000 -0.102 0.000 1.366 36 I HN -0.301 nan 8.210 nan 0.000 0.466 37 P HA 0.173 nan 4.420 nan 0.000 0.274 37 P C -0.464 176.671 177.300 -0.274 0.000 1.246 37 P CA -0.243 62.576 63.100 -0.469 0.000 0.795 37 P CB 0.678 31.733 31.700 -1.074 0.000 1.006 38 T N -2.853 111.598 114.554 -0.170 0.000 2.930 38 T HA 0.475 4.824 4.350 -0.000 0.000 0.290 38 T C -2.238 172.445 174.700 -0.029 0.000 1.052 38 T CA -2.299 59.752 62.100 -0.081 0.000 1.017 38 T CB 1.158 70.000 68.868 -0.044 0.000 1.137 38 T HN 0.033 nan 8.240 nan 0.000 0.511 39 P HA -0.010 nan 4.420 nan 0.000 0.219 39 P C 1.605 178.939 177.300 0.057 0.000 1.146 39 P CA 0.239 63.351 63.100 0.021 0.000 0.808 39 P CB -0.002 31.706 31.700 0.013 0.000 0.779 40 L N -1.235 120.030 121.223 0.069 0.000 2.017 40 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 40 L C 2.278 179.264 176.870 0.194 0.000 1.073 40 L CA 1.970 56.885 54.840 0.126 0.000 0.745 40 L CB -1.125 41.020 42.059 0.143 0.000 0.894 40 L HN -0.125 nan 8.230 nan 0.000 0.432 41 M N -0.741 118.986 119.600 0.212 0.000 2.106 41 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 41 M C 2.190 178.648 176.300 0.263 0.000 1.068 41 M CA 1.829 57.275 55.300 0.244 0.000 1.100 41 M CB -1.228 31.474 32.600 0.170 0.000 1.351 41 M HN 0.491 nan 8.290 nan 0.000 0.404 42 G N 0.194 109.117 108.800 0.204 0.000 2.469 42 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 42 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 42 G C 1.315 176.313 174.900 0.163 0.000 1.150 42 G CA 1.623 46.844 45.100 0.202 0.000 0.763 42 G HN 0.520 nan 8.290 nan 0.000 0.561 43 E N -0.405 119.857 120.200 0.103 0.000 2.107 43 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 43 E C 2.034 178.644 176.600 0.018 0.000 0.982 43 E CA 0.899 57.331 56.400 0.054 0.000 0.809 43 E CB -0.595 29.128 29.700 0.038 0.000 0.756 43 E HN 0.545 nan 8.360 nan 0.000 0.459 44 Y N -0.200 119.961 120.300 -0.231 0.000 2.128 44 Y HA -0.297 4.253 4.550 -0.000 0.000 0.284 44 Y C 1.546 177.269 175.900 -0.294 0.000 1.154 44 Y CA 2.126 59.960 58.100 -0.444 0.000 1.149 44 Y CB -0.460 37.407 38.460 -0.988 0.000 0.976 44 Y HN 0.091 nan 8.280 nan 0.000 0.505 45 Y N 0.319 120.620 120.300 0.001 0.000 2.242 45 Y HA -0.131 4.419 4.550 -0.000 0.000 0.291 45 Y C 2.833 178.666 175.900 -0.110 0.000 1.137 45 Y CA 1.608 59.646 58.100 -0.102 0.000 1.181 45 Y CB -0.693 37.809 38.460 0.070 0.000 0.989 45 Y HN 0.079 nan 8.280 nan 0.000 0.527 46 R N 0.616 121.168 120.500 0.087 0.000 2.083 46 R HA -0.240 4.100 4.340 -0.000 0.000 0.237 46 R C 1.961 178.257 176.300 -0.006 0.000 1.137 46 R CA 2.036 58.155 56.100 0.032 0.000 0.951 46 R CB -0.283 30.036 30.300 0.032 0.000 0.851 46 R HN 0.471 nan 8.270 nan 0.000 0.434 47 Q N -0.486 119.289 119.800 -0.041 0.000 2.234 47 Q HA -0.162 4.178 4.340 -0.000 0.000 0.206 47 Q C 1.447 177.421 176.000 -0.043 0.000 0.980 47 Q CA 1.376 57.149 55.803 -0.049 0.000 0.869 47 Q CB 0.029 28.720 28.738 -0.080 0.000 0.912 47 Q HN 0.304 nan 8.270 nan 0.000 0.436 48 R N -0.693 119.763 120.500 -0.074 0.000 2.432 48 R HA 0.245 4.584 4.340 -0.000 0.000 0.260 48 R C 1.410 177.712 176.300 0.002 0.000 0.935 48 R CA 0.230 56.320 56.100 -0.016 0.000 1.080 48 R CB 0.455 30.667 30.300 -0.146 0.000 1.155 48 R HN 0.066 nan 8.270 nan 0.000 0.531 49 A N 1.023 123.843 122.820 -0.000 0.000 2.259 49 A HA -0.121 4.198 4.320 -0.000 0.000 0.212 49 A C 1.947 179.543 177.584 0.020 0.000 1.178 49 A CA 1.444 53.481 52.037 -0.001 0.000 0.734 49 A CB -0.302 18.700 19.000 0.003 0.000 0.774 49 A HN 0.345 nan 8.150 nan 0.000 0.481 50 S N -0.358 115.374 115.700 0.053 0.000 2.527 50 S HA 0.429 4.899 4.470 -0.000 0.000 0.222 50 S C 1.054 175.720 174.600 0.109 0.000 0.985 50 S CA 0.321 58.565 58.200 0.074 0.000 0.921 50 S CB -0.667 62.580 63.200 0.079 0.000 0.772 50 S HN 0.964 nan 8.310 nan 0.000 0.529 51 A N 1.446 124.337 122.820 0.118 0.000 2.587 51 A HA 0.470 4.790 4.320 -0.000 0.000 0.233 51 A C 1.677 179.290 177.584 0.048 0.000 1.049 51 A CA 0.286 52.399 52.037 0.126 0.000 0.754 51 A CB -0.674 18.274 19.000 -0.088 0.000 0.977 51 A HN 0.499 nan 8.150 nan 0.000 0.509 52 G N 0.884 109.761 108.800 0.128 0.000 2.574 52 G HA2 0.033 3.993 3.960 -0.000 0.000 0.220 52 G HA3 0.033 3.993 3.960 -0.000 0.000 0.220 52 G C 0.435 175.155 174.900 -0.300 0.000 1.173 52 G CA 1.808 46.951 45.100 0.073 0.000 0.772 52 G HN 1.323 nan 8.290 nan 0.000 0.585 53 L N -1.121 119.722 121.223 -0.633 0.000 2.505 53 L HA 0.600 4.940 4.340 -0.000 0.000 0.259 53 L C -1.282 175.291 176.870 -0.494 0.000 0.952 53 L CA -0.817 53.596 54.840 -0.711 0.000 0.840 53 L CB 2.037 43.333 42.059 -1.272 0.000 1.358 53 L HN 0.060 nan 8.230 nan 0.000 0.409 54 I N 5.322 125.701 120.570 -0.319 0.000 2.315 54 I HA 0.394 4.564 4.170 -0.000 0.000 0.291 54 I C -0.574 175.426 176.117 -0.195 0.000 1.006 54 I CA -0.320 60.837 61.300 -0.238 0.000 1.265 54 I CB 1.247 39.156 38.000 -0.151 0.000 1.387 54 I HN 0.496 nan 8.210 nan 0.000 0.475 55 I N 5.965 126.445 120.570 -0.150 0.000 2.354 55 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 55 I C 0.701 176.788 176.117 -0.051 0.000 0.989 55 I CA -0.231 61.007 61.300 -0.104 0.000 1.188 55 I CB 1.660 39.630 38.000 -0.049 0.000 1.342 55 I HN 0.595 nan 8.210 nan 0.000 0.457 56 S N 5.325 120.953 115.700 -0.120 0.000 2.600 56 S HA 0.163 4.633 4.470 -0.000 0.000 0.265 56 S C 0.174 174.797 174.600 0.038 0.000 1.325 56 S CA -0.786 57.391 58.200 -0.039 0.000 1.002 56 S CB 0.601 63.640 63.200 -0.268 0.000 0.921 56 S HN 0.680 nan 8.310 nan 0.000 0.554 57 E N 0.994 121.324 120.200 0.217 0.000 2.436 57 E HA 0.253 4.603 4.350 -0.000 0.000 0.262 57 E C 0.349 176.823 176.600 -0.210 0.000 1.063 57 E CA -0.261 56.160 56.400 0.035 0.000 0.944 57 E CB 0.145 29.926 29.700 0.135 0.000 0.950 57 E HN 0.869 nan 8.360 nan 0.000 0.444 58 A N 3.212 125.721 122.820 -0.519 0.000 2.603 58 A HA 0.085 4.405 4.320 -0.000 0.000 0.235 58 A C -0.089 177.000 177.584 -0.824 0.000 1.035 58 A CA 0.557 51.965 52.037 -1.048 0.000 0.755 58 A CB -0.085 17.489 19.000 -2.377 0.000 0.954 58 A HN 0.610 nan 8.150 nan 0.000 0.511 59 T N 3.148 117.368 114.554 -0.556 0.000 2.881 59 T HA 0.423 4.773 4.350 -0.000 0.000 0.290 59 T C -0.454 174.429 174.700 0.305 0.000 1.000 59 T CA -0.407 61.692 62.100 -0.002 0.000 0.978 59 T CB 1.372 70.218 68.868 -0.036 0.000 0.997 59 T HN 0.700 nan 8.240 nan 0.000 0.443 60 Q N 1.955 122.053 119.800 0.495 0.000 2.330 60 Q HA 0.186 4.526 4.340 -0.000 0.000 0.279 60 Q C 1.540 177.692 176.000 0.253 0.000 1.024 60 Q CA 0.032 56.066 55.803 0.384 0.000 0.900 60 Q CB 0.287 29.201 28.738 0.293 0.000 1.221 60 Q HN 0.762 nan 8.270 nan 0.000 0.396 61 I N -1.488 119.115 120.570 0.055 0.000 3.251 61 I HA 0.112 4.282 4.170 -0.000 0.000 0.277 61 I C 0.170 176.247 176.117 -0.067 0.000 1.268 61 I CA 0.081 61.353 61.300 -0.046 0.000 1.449 61 I CB 0.041 37.834 38.000 -0.344 0.000 1.083 61 I HN 0.434 nan 8.210 nan 0.000 0.464 62 S N -0.735 114.832 115.700 -0.222 0.000 2.615 62 S HA 0.668 5.138 4.470 -0.000 0.000 0.268 62 S C 0.484 174.603 174.600 -0.802 0.000 1.146 62 S CA -0.355 57.465 58.200 -0.632 0.000 0.818 62 S CB 1.396 64.392 63.200 -0.340 0.000 1.111 62 S HN 0.115 nan 8.310 nan 0.000 0.465 63 A N 1.023 123.329 122.820 -0.857 0.000 1.873 63 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 63 A C 2.086 179.523 177.584 -0.244 0.000 1.193 63 A CA 2.196 54.024 52.037 -0.349 0.000 0.629 63 A CB -1.381 17.509 19.000 -0.183 0.000 0.826 63 A HN 0.915 nan 8.150 nan 0.000 0.447 64 Q N -0.719 118.939 119.800 -0.236 0.000 2.234 64 Q HA -0.167 4.173 4.340 -0.000 0.000 0.206 64 Q C 2.101 177.856 176.000 -0.408 0.000 0.980 64 Q CA 1.367 57.056 55.803 -0.189 0.000 0.869 64 Q CB -0.332 28.372 28.738 -0.056 0.000 0.912 64 Q HN 0.657 nan 8.270 nan 0.000 0.436 65 A N 1.168 123.602 122.820 -0.644 0.000 2.019 65 A HA -0.133 4.187 4.320 -0.000 0.000 0.219 65 A C 1.188 178.394 177.584 -0.631 0.000 1.164 65 A CA 0.639 52.051 52.037 -1.042 0.000 0.644 65 A CB -0.336 18.253 19.000 -0.685 0.000 0.805 65 A HN 0.270 nan 8.150 nan 0.000 0.449 66 K N 0.215 120.415 120.400 -0.333 0.000 2.447 66 K HA 0.224 4.544 4.320 -0.000 0.000 0.281 66 K C 0.777 177.273 176.600 -0.174 0.000 1.031 66 K CA 0.573 56.756 56.287 -0.173 0.000 1.019 66 K CB 0.246 32.726 32.500 -0.033 0.000 0.918 66 K HN 0.156 nan 8.250 nan 0.000 0.476 67 G N 3.652 112.362 108.800 -0.151 0.000 3.342 67 G HA2 0.120 4.080 3.960 -0.000 0.000 0.252 67 G HA3 0.120 4.080 3.960 -0.000 0.000 0.252 67 G C -0.826 173.984 174.900 -0.150 0.000 1.011 67 G CA -0.034 44.983 45.100 -0.138 0.000 0.869 67 G HN 0.585 nan 8.290 nan 0.000 0.514 68 Y N 0.275 120.563 120.300 -0.020 0.000 2.421 68 Y HA 0.603 5.153 4.550 -0.000 0.000 0.339 68 Y C 0.239 176.180 175.900 0.068 0.000 0.996 68 Y CA -1.314 56.819 58.100 0.056 0.000 1.046 68 Y CB 2.109 40.661 38.460 0.153 0.000 1.226 68 Y HN 0.109 nan 8.280 nan 0.000 0.445 69 A N 1.643 124.561 122.820 0.162 0.000 2.450 69 A HA 0.492 4.812 4.320 -0.000 0.000 0.255 69 A C 1.234 178.903 177.584 0.142 0.000 1.096 69 A CA 0.902 53.009 52.037 0.117 0.000 0.778 69 A CB -0.617 18.416 19.000 0.057 0.000 1.031 69 A HN 1.552 nan 8.150 nan 0.000 0.494 70 G N 0.775 109.645 108.800 0.117 0.000 2.232 70 G HA2 0.175 4.135 3.960 -0.000 0.000 0.226 70 G HA3 0.175 4.135 3.960 -0.000 0.000 0.226 70 G C 0.546 175.517 174.900 0.117 0.000 0.996 70 G CA 0.186 45.342 45.100 0.093 0.000 0.626 70 G HN 2.124 nan 8.290 nan 0.000 0.509 71 A N 2.125 125.063 122.820 0.196 0.000 2.363 71 A HA 0.733 5.053 4.320 -0.000 0.000 0.270 71 A C -1.379 176.342 177.584 0.228 0.000 1.121 71 A CA -0.743 51.437 52.037 0.239 0.000 0.800 71 A CB 0.716 19.958 19.000 0.404 0.000 1.052 71 A HN 0.253 nan 8.150 nan 0.000 0.493 72 P HA 0.426 nan 4.420 nan 0.000 0.276 72 P C 0.158 177.652 177.300 0.323 0.000 1.252 72 P CA 0.036 63.273 63.100 0.227 0.000 0.802 72 P CB 1.351 33.210 31.700 0.265 0.000 1.035 73 G N -0.175 108.788 108.800 0.270 0.000 2.685 73 G HA2 0.553 4.513 3.960 -0.000 0.000 0.298 73 G HA3 0.553 4.513 3.960 -0.000 0.000 0.298 73 G C -1.515 173.531 174.900 0.244 0.000 1.277 73 G CA -0.583 44.662 45.100 0.241 0.000 0.986 73 G HN 0.483 nan 8.290 nan 0.000 0.487 74 L N 0.058 121.372 121.223 0.152 0.000 2.804 74 L HA 0.430 4.770 4.340 -0.000 0.000 0.294 74 L C 0.395 177.324 176.870 0.099 0.000 1.355 74 L CA -0.563 54.358 54.840 0.135 0.000 0.749 74 L CB -0.385 41.700 42.059 0.042 0.000 1.103 74 L HN 0.804 nan 8.230 nan 0.000 0.542 75 H N -3.053 116.079 119.070 0.104 0.000 3.622 75 H HA 0.534 5.090 4.556 -0.000 0.000 0.259 75 H C 0.476 175.837 175.328 0.056 0.000 1.145 75 H CA 0.273 56.355 56.048 0.057 0.000 1.178 75 H CB 0.048 29.827 29.762 0.028 0.000 1.542 75 H HN 0.225 nan 8.280 nan 0.000 0.586 76 S N 0.133 115.766 115.700 -0.111 0.000 2.621 76 S HA 0.372 4.842 4.470 -0.000 0.000 0.302 76 S C -1.957 172.645 174.600 0.004 0.000 1.093 76 S CA -1.548 56.644 58.200 -0.013 0.000 1.017 76 S CB 2.713 65.884 63.200 -0.047 0.000 1.077 76 S HN -0.135 nan 8.310 nan 0.000 0.517 77 P HA -0.142 nan 4.420 nan 0.000 0.215 77 P C 1.336 178.645 177.300 0.015 0.000 1.153 77 P CA 1.497 64.610 63.100 0.022 0.000 0.853 77 P CB -0.098 31.613 31.700 0.019 0.000 0.788 78 E N 0.160 120.361 120.200 0.001 0.000 2.110 78 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 78 E C 2.045 178.633 176.600 -0.020 0.000 0.988 78 E CA 0.917 57.310 56.400 -0.011 0.000 0.804 78 E CB -0.948 28.740 29.700 -0.020 0.000 0.745 78 E HN 0.261 nan 8.360 nan 0.000 0.458 79 Q N 0.727 120.513 119.800 -0.024 0.000 2.050 79 Q HA -0.117 4.223 4.340 -0.000 0.000 0.202 79 Q C 2.295 178.382 176.000 0.146 0.000 0.980 79 Q CA 1.707 57.511 55.803 0.001 0.000 0.840 79 Q CB -0.146 28.584 28.738 -0.014 0.000 0.898 79 Q HN 0.368 nan 8.270 nan 0.000 0.424 80 I N 0.123 120.780 120.570 0.145 0.000 2.226 80 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 80 I C 2.250 178.455 176.117 0.146 0.000 1.100 80 I CA 1.075 62.487 61.300 0.188 0.000 1.374 80 I CB -0.266 37.796 38.000 0.104 0.000 1.057 80 I HN 0.196 nan 8.210 nan 0.000 0.413 81 A N 0.339 123.201 122.820 0.071 0.000 1.929 81 A HA -0.036 4.284 4.320 -0.000 0.000 0.216 81 A C 2.504 180.102 177.584 0.024 0.000 1.176 81 A CA 1.461 53.521 52.037 0.039 0.000 0.628 81 A CB -0.704 18.305 19.000 0.014 0.000 0.816 81 A HN 0.405 nan 8.150 nan 0.000 0.444 82 A N -1.193 121.620 122.820 -0.012 0.000 1.898 82 A HA -0.151 4.169 4.320 -0.000 0.000 0.216 82 A C 2.010 179.558 177.584 -0.059 0.000 1.181 82 A CA 1.254 53.238 52.037 -0.088 0.000 0.620 82 A CB -0.927 17.950 19.000 -0.205 0.000 0.819 82 A HN 0.745 nan 8.150 nan 0.000 0.442 83 W N -0.062 121.241 121.300 0.005 0.000 2.363 83 W HA -0.100 4.560 4.660 -0.000 0.000 0.296 83 W C 2.380 178.804 176.519 -0.159 0.000 1.212 83 W CA 1.395 58.725 57.345 -0.024 0.000 1.260 83 W CB 0.077 29.596 29.460 0.099 0.000 1.131 83 W HN 0.284 nan 8.180 nan 0.000 0.530 84 K N 1.017 121.488 120.400 0.118 0.000 2.063 84 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 84 K C 1.794 178.381 176.600 -0.023 0.000 1.048 84 K CA 1.601 57.890 56.287 0.002 0.000 0.928 84 K CB -0.129 32.382 32.500 0.018 0.000 0.713 84 K HN 0.034 nan 8.250 nan 0.000 0.442 85 K N 0.213 120.612 120.400 -0.002 0.000 2.148 85 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 85 K C 2.017 178.608 176.600 -0.015 0.000 1.050 85 K CA 1.236 57.517 56.287 -0.010 0.000 0.942 85 K CB -0.018 32.477 32.500 -0.008 0.000 0.724 85 K HN 0.191 nan 8.250 nan 0.000 0.446 86 I N 0.951 121.522 120.570 0.002 0.000 2.286 86 I HA -0.247 3.923 4.170 -0.000 0.000 0.245 86 I C 2.599 178.662 176.117 -0.091 0.000 1.104 86 I CA 1.474 62.792 61.300 0.030 0.000 1.397 86 I CB -0.564 37.534 38.000 0.164 0.000 1.072 86 I HN 0.322 nan 8.210 nan 0.000 0.417 87 T N -0.648 113.763 114.554 -0.238 0.000 2.821 87 T HA -0.086 4.264 4.350 -0.000 0.000 0.267 87 T C 2.043 176.474 174.700 -0.450 0.000 1.046 87 T CA 0.934 62.732 62.100 -0.503 0.000 1.139 87 T CB -0.523 67.929 68.868 -0.693 0.000 0.871 87 T HN 0.306 nan 8.240 nan 0.000 0.454 88 A N 1.955 124.669 122.820 -0.176 0.000 1.917 88 A HA 0.140 4.460 4.320 -0.000 0.000 0.219 88 A C 2.727 180.283 177.584 -0.047 0.000 1.182 88 A CA 1.959 53.972 52.037 -0.040 0.000 0.633 88 A CB -1.712 17.287 19.000 -0.002 0.000 0.819 88 A HN 0.649 nan 8.150 nan 0.000 0.448 89 G N -0.725 108.036 108.800 -0.065 0.000 2.421 89 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.216 89 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.216 89 G C 1.517 176.393 174.900 -0.039 0.000 1.171 89 G CA 1.225 46.309 45.100 -0.027 0.000 0.775 89 G HN 0.337 nan 8.290 nan 0.000 0.543 90 V N 0.446 120.292 119.914 -0.114 0.000 2.407 90 V HA -0.197 3.923 4.120 -0.000 0.000 0.248 90 V C 2.425 178.479 176.094 -0.067 0.000 1.055 90 V CA 2.214 64.442 62.300 -0.121 0.000 1.049 90 V CB -0.762 30.927 31.823 -0.223 0.000 0.662 90 V HN 0.557 nan 8.190 nan 0.000 0.455 91 H N -0.131 118.922 119.070 -0.028 0.000 2.357 91 H HA -0.009 4.547 4.556 -0.000 0.000 0.301 91 H C 2.291 177.610 175.328 -0.014 0.000 1.082 91 H CA 1.016 57.048 56.048 -0.026 0.000 1.342 91 H CB -0.132 29.609 29.762 -0.034 0.000 1.389 91 H HN 0.456 nan 8.280 nan 0.000 0.511 92 A N 1.005 123.884 122.820 0.099 0.000 2.076 92 A HA -0.157 4.163 4.320 -0.000 0.000 0.220 92 A C 1.722 179.331 177.584 0.041 0.000 1.160 92 A CA 1.378 53.449 52.037 0.056 0.000 0.653 92 A CB -0.037 18.984 19.000 0.035 0.000 0.801 92 A HN 0.327 nan 8.150 nan 0.000 0.455 93 E N -0.996 119.228 120.200 0.039 0.000 2.479 93 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 93 E C -0.100 176.522 176.600 0.036 0.000 1.049 93 E CA 0.593 57.011 56.400 0.030 0.000 0.870 93 E CB -0.063 29.650 29.700 0.020 0.000 0.944 93 E HN 0.559 nan 8.360 nan 0.000 0.492 94 D N -0.356 120.076 120.400 0.054 0.000 2.947 94 D HA -0.118 4.522 4.640 -0.000 0.000 0.224 94 D C 0.298 176.630 176.300 0.054 0.000 1.132 94 D CA 1.053 55.084 54.000 0.052 0.000 0.801 94 D CB -1.068 39.751 40.800 0.031 0.000 1.097 94 D HN 0.308 nan 8.370 nan 0.000 0.431 95 G N -0.355 108.485 108.800 0.066 0.000 2.531 95 G HA2 0.765 4.725 3.960 -0.000 0.000 0.313 95 G HA3 0.765 4.725 3.960 -0.000 0.000 0.313 95 G C -0.397 174.554 174.900 0.086 0.000 1.238 95 G CA -0.807 44.317 45.100 0.040 0.000 0.994 95 G HN 0.177 nan 8.290 nan 0.000 0.493 96 R N -1.013 119.493 120.500 0.010 0.000 2.621 96 R HA 0.621 4.961 4.340 -0.000 0.000 0.292 96 R C -1.056 175.212 176.300 -0.053 0.000 0.969 96 R CA -0.551 55.563 56.100 0.023 0.000 0.887 96 R CB 2.493 32.765 30.300 -0.047 0.000 1.180 96 R HN 0.455 nan 8.270 nan 0.000 0.450 97 I N 1.260 121.829 120.570 -0.002 0.000 2.569 97 I HA 0.654 4.824 4.170 -0.000 0.000 0.290 97 I C -1.256 174.927 176.117 0.110 0.000 1.088 97 I CA -0.603 60.679 61.300 -0.030 0.000 1.047 97 I CB 1.771 39.706 38.000 -0.107 0.000 1.237 97 I HN 0.798 nan 8.210 nan 0.000 0.421 98 A N 6.446 129.272 122.820 0.011 0.000 2.325 98 A HA 0.661 4.981 4.320 -0.000 0.000 0.333 98 A C -1.171 176.252 177.584 -0.269 0.000 1.155 98 A CA -0.534 51.487 52.037 -0.027 0.000 0.814 98 A CB 1.716 20.695 19.000 -0.036 0.000 1.206 98 A HN 0.590 nan 8.150 nan 0.000 0.482 99 V N 2.682 122.194 119.914 -0.670 0.000 2.407 99 V HA 0.300 4.420 4.120 -0.000 0.000 0.278 99 V C 0.234 176.022 176.094 -0.510 0.000 1.037 99 V CA -0.422 61.276 62.300 -1.005 0.000 0.900 99 V CB 1.216 31.855 31.823 -1.973 0.000 0.983 99 V HN 0.978 nan 8.190 nan 0.000 0.459 100 Q N 5.554 125.123 119.800 -0.385 0.000 2.296 100 Q HA 0.455 4.795 4.340 -0.000 0.000 0.262 100 Q C -1.422 174.433 176.000 -0.241 0.000 0.981 100 Q CA -0.299 55.348 55.803 -0.260 0.000 0.905 100 Q CB 0.943 29.520 28.738 -0.268 0.000 1.186 100 Q HN 0.779 nan 8.270 nan 0.000 0.399 101 L N 5.404 126.585 121.223 -0.069 0.000 2.341 101 L HA 0.615 4.955 4.340 -0.000 0.000 0.278 101 L C -0.784 176.286 176.870 0.333 0.000 1.005 101 L CA -0.917 53.966 54.840 0.071 0.000 0.818 101 L CB 0.887 43.018 42.059 0.119 0.000 1.259 101 L HN 0.673 nan 8.230 nan 0.000 0.418 102 W N 1.581 122.951 121.300 0.118 0.000 2.992 102 W HA 0.558 5.218 4.660 -0.000 0.000 0.342 102 W C -1.337 175.205 176.519 0.037 0.000 1.176 102 W CA -1.142 56.294 57.345 0.151 0.000 1.118 102 W CB 0.409 29.854 29.460 -0.025 0.000 1.457 102 W HN 0.387 nan 8.180 nan 0.000 0.573 103 H N 1.322 120.497 119.070 0.174 0.000 2.658 103 H HA 0.229 4.785 4.556 -0.000 0.000 0.337 103 H C 0.989 176.216 175.328 -0.168 0.000 1.009 103 H CA 0.429 56.401 56.048 -0.126 0.000 1.231 103 H CB 2.221 31.943 29.762 -0.066 0.000 1.508 103 H HN 0.618 nan 8.280 nan 0.000 0.517 104 T N 1.281 115.631 114.554 -0.341 0.000 2.995 104 T HA 0.111 4.461 4.350 -0.000 0.000 0.269 104 T C 1.408 176.232 174.700 0.206 0.000 1.091 104 T CA 0.777 62.773 62.100 -0.173 0.000 1.128 104 T CB -0.055 68.530 68.868 -0.472 0.000 0.891 104 T HN 0.834 nan 8.240 nan 0.000 0.492 105 G N 3.217 112.217 108.800 0.334 0.000 2.634 105 G HA2 -0.468 3.492 3.960 -0.000 0.000 0.309 105 G HA3 -0.468 3.492 3.960 -0.000 0.000 0.309 105 G C 0.867 175.831 174.900 0.105 0.000 1.265 105 G CA 0.954 46.188 45.100 0.224 0.000 0.998 105 G HN 0.888 nan 8.290 nan 0.000 0.551 106 R N 0.518 121.055 120.500 0.062 0.000 2.341 106 R HA 0.159 4.499 4.340 -0.000 0.000 0.213 106 R C 1.239 177.543 176.300 0.006 0.000 1.082 106 R CA 1.263 57.372 56.100 0.015 0.000 1.017 106 R CB -0.359 29.935 30.300 -0.010 0.000 0.860 106 R HN 0.487 nan 8.270 nan 0.000 0.473 107 I N 1.701 122.294 120.570 0.039 0.000 2.206 107 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 107 I C -0.095 175.995 176.117 -0.046 0.000 1.156 107 I CA -0.249 61.065 61.300 0.024 0.000 1.356 107 I CB 0.390 38.458 38.000 0.112 0.000 1.494 107 I HN 0.174 nan 8.210 nan 0.000 0.601 108 S N 3.167 118.821 115.700 -0.076 0.000 2.703 108 S HA 0.445 4.915 4.470 -0.000 0.000 0.273 108 S C -1.681 172.909 174.600 -0.016 0.000 1.178 108 S CA -0.572 57.570 58.200 -0.096 0.000 0.838 108 S CB 1.753 64.908 63.200 -0.075 0.000 1.178 108 S HN 0.587 nan 8.310 nan 0.000 0.494 109 H N 0.587 119.589 119.070 -0.114 0.000 2.865 109 H HA 0.383 4.939 4.556 -0.000 0.000 0.362 109 H C 1.008 176.299 175.328 -0.062 0.000 1.114 109 H CA 0.317 56.314 56.048 -0.086 0.000 1.208 109 H CB 2.095 31.801 29.762 -0.094 0.000 1.727 109 H HN 0.723 nan 8.280 nan 0.000 0.534 110 S N 2.338 117.716 115.700 -0.537 0.000 2.400 110 S HA -0.229 4.241 4.470 -0.000 0.000 0.232 110 S C 1.926 176.449 174.600 -0.128 0.000 1.025 110 S CA 1.602 59.630 58.200 -0.287 0.000 0.993 110 S CB -0.468 62.548 63.200 -0.305 0.000 0.808 110 S HN 0.609 nan 8.310 nan 0.000 0.478 111 S N 2.551 118.254 115.700 0.004 0.000 2.469 111 S HA 0.019 4.489 4.470 -0.000 0.000 0.238 111 S C 1.655 176.314 174.600 0.097 0.000 0.998 111 S CA 0.846 59.135 58.200 0.148 0.000 0.957 111 S CB -1.020 62.355 63.200 0.293 0.000 0.764 111 S HN 0.900 nan 8.310 nan 0.000 0.514 112 I N -2.603 118.020 120.570 0.088 0.000 4.025 112 I HA 0.348 4.518 4.170 -0.000 0.000 0.336 112 I C 0.075 176.195 176.117 0.004 0.000 1.390 112 I CA -0.616 60.710 61.300 0.042 0.000 1.099 112 I CB -0.036 37.990 38.000 0.043 0.000 1.049 112 I HN 0.046 nan 8.210 nan 0.000 0.394 113 Q N 2.680 122.472 119.800 -0.014 0.000 2.259 113 Q HA 0.446 4.786 4.340 -0.000 0.000 0.246 113 Q C -2.350 173.633 176.000 -0.029 0.000 0.920 113 Q CA -1.763 54.018 55.803 -0.036 0.000 0.895 113 Q CB 1.158 29.866 28.738 -0.049 0.000 1.220 113 Q HN 0.042 nan 8.270 nan 0.000 0.439 114 P HA -0.023 nan 4.420 nan 0.000 0.264 114 P C 0.433 177.720 177.300 -0.023 0.000 1.183 114 P CA 0.970 64.054 63.100 -0.026 0.000 0.763 114 P CB 0.320 31.999 31.700 -0.035 0.000 0.807 115 G N 2.987 111.778 108.800 -0.016 0.000 2.166 115 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.260 115 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.260 115 G C 0.894 175.782 174.900 -0.020 0.000 0.986 115 G CA 0.592 45.683 45.100 -0.015 0.000 0.683 115 G HN 1.058 nan 8.290 nan 0.000 0.527 116 G N -1.540 107.246 108.800 -0.022 0.000 2.225 116 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.267 116 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.267 116 G C 0.382 175.252 174.900 -0.051 0.000 1.024 116 G CA 1.245 46.326 45.100 -0.032 0.000 0.784 116 G HN 0.995 nan 8.290 nan 0.000 0.507 117 Q N -0.462 119.309 119.800 -0.048 0.000 2.249 117 Q HA 0.669 5.009 4.340 -0.000 0.000 0.226 117 Q C 0.857 176.815 176.000 -0.071 0.000 0.983 117 Q CA 0.100 55.871 55.803 -0.052 0.000 0.930 117 Q CB 0.975 29.691 28.738 -0.036 0.000 1.193 117 Q HN 0.829 nan 8.270 nan 0.000 0.508 118 A N 2.428 125.207 122.820 -0.068 0.000 2.520 118 A HA 0.298 4.618 4.320 -0.000 0.000 0.235 118 A C -1.988 175.566 177.584 -0.050 0.000 1.065 118 A CA -0.641 51.353 52.037 -0.072 0.000 0.764 118 A CB -0.766 18.199 19.000 -0.058 0.000 1.002 118 A HN 0.375 nan 8.150 nan 0.000 0.502 119 P HA 0.386 nan 4.420 nan 0.000 0.274 119 P C -0.276 177.028 177.300 0.006 0.000 1.256 119 P CA -0.270 62.823 63.100 -0.011 0.000 0.795 119 P CB 0.547 32.238 31.700 -0.014 0.000 1.038 120 V N -2.864 117.077 119.914 0.045 0.000 2.994 120 V HA 0.917 5.037 4.120 -0.000 0.000 0.318 120 V C -0.205 175.905 176.094 0.027 0.000 1.085 120 V CA -0.516 61.800 62.300 0.025 0.000 0.998 120 V CB 1.416 33.251 31.823 0.019 0.000 1.063 120 V HN 0.714 nan 8.190 nan 0.000 0.447 121 S N 0.797 116.504 115.700 0.013 0.000 2.703 121 S HA 0.727 5.197 4.470 -0.000 0.000 0.273 121 S C 0.959 175.522 174.600 -0.061 0.000 1.178 121 S CA 0.211 58.413 58.200 0.003 0.000 0.838 121 S CB 1.086 64.262 63.200 -0.040 0.000 1.178 121 S HN 1.876 nan 8.310 nan 0.000 0.494 122 A N 0.983 123.606 122.820 -0.327 0.000 1.908 122 A HA 0.311 4.631 4.320 -0.000 0.000 0.218 122 A C 0.804 178.171 177.584 -0.362 0.000 1.181 122 A CA 1.624 53.185 52.037 -0.793 0.000 0.627 122 A CB -0.640 17.663 19.000 -1.162 0.000 0.818 122 A HN 0.841 nan 8.150 nan 0.000 0.445 123 S N -2.943 112.620 115.700 -0.229 0.000 2.556 123 S HA 0.580 5.050 4.470 -0.000 0.000 0.271 123 S C -0.389 174.153 174.600 -0.096 0.000 1.135 123 S CA -0.170 57.945 58.200 -0.142 0.000 0.858 123 S CB 1.864 64.981 63.200 -0.138 0.000 1.114 123 S HN 0.852 nan 8.310 nan 0.000 0.468 124 A N 2.465 125.244 122.820 -0.069 0.000 3.026 124 A HA 0.532 4.852 4.320 -0.000 0.000 0.272 124 A C -0.548 177.005 177.584 -0.051 0.000 1.782 124 A CA 0.159 52.165 52.037 -0.053 0.000 1.451 124 A CB -1.113 17.862 19.000 -0.042 0.000 1.081 124 A HN 0.607 nan 8.150 nan 0.000 0.611 125 L N 1.658 122.848 121.223 -0.056 0.000 2.439 125 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 125 L C 0.148 176.990 176.870 -0.046 0.000 0.972 125 L CA -0.772 54.037 54.840 -0.050 0.000 0.836 125 L CB 1.577 43.602 42.059 -0.057 0.000 1.255 125 L HN 0.518 nan 8.230 nan 0.000 0.404 126 N N 1.524 120.201 118.700 -0.038 0.000 2.407 126 N HA 0.003 4.743 4.740 -0.000 0.000 0.250 126 N C 0.943 176.433 175.510 -0.033 0.000 1.236 126 N CA 0.703 53.733 53.050 -0.033 0.000 0.879 126 N CB 1.767 40.238 38.487 -0.027 0.000 1.088 126 N HN 0.854 nan 8.380 nan 0.000 0.450 127 A N 3.838 126.639 122.820 -0.031 0.000 2.019 127 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 127 A C 1.092 178.661 177.584 -0.025 0.000 1.164 127 A CA 1.487 53.505 52.037 -0.032 0.000 0.644 127 A CB -0.509 18.474 19.000 -0.029 0.000 0.805 127 A HN 0.956 nan 8.150 nan 0.000 0.449 128 N N -1.539 117.149 118.700 -0.020 0.000 2.747 128 N HA -0.146 4.594 4.740 -0.000 0.000 0.249 128 N C 0.165 175.669 175.510 -0.009 0.000 1.107 128 N CA 1.533 54.574 53.050 -0.015 0.000 0.707 128 N CB -1.635 36.843 38.487 -0.016 0.000 1.054 128 N HN 0.855 nan 8.380 nan 0.000 0.555 129 T N -3.675 110.873 114.554 -0.009 0.000 2.591 129 T HA 0.758 5.108 4.350 -0.000 0.000 0.274 129 T C -0.182 174.512 174.700 -0.010 0.000 0.945 129 T CA -0.956 61.143 62.100 -0.002 0.000 1.087 129 T CB 1.727 70.600 68.868 0.007 0.000 1.416 129 T HN 0.210 nan 8.240 nan 0.000 0.514 130 R N -0.676 119.818 120.500 -0.010 0.000 2.744 130 R HA 0.764 5.104 4.340 -0.000 0.000 0.279 130 R C -0.712 175.541 176.300 -0.079 0.000 0.977 130 R CA -0.742 55.336 56.100 -0.037 0.000 0.906 130 R CB 2.255 32.541 30.300 -0.024 0.000 1.197 130 R HN 0.788 nan 8.270 nan 0.000 0.463 131 T N -0.820 113.636 114.554 -0.162 0.000 2.762 131 T HA 0.441 4.791 4.350 -0.000 0.000 0.272 131 T C -1.006 173.535 174.700 -0.265 0.000 0.982 131 T CA -0.507 61.381 62.100 -0.354 0.000 1.013 131 T CB 1.527 70.045 68.868 -0.583 0.000 1.309 131 T HN 0.424 nan 8.240 nan 0.000 0.572 132 S N 1.015 116.526 115.700 -0.316 0.000 2.478 132 S HA 0.731 5.201 4.470 -0.000 0.000 0.312 132 S C -0.859 173.694 174.600 -0.079 0.000 1.094 132 S CA -0.756 57.383 58.200 -0.102 0.000 1.081 132 S CB -0.027 63.199 63.200 0.044 0.000 1.007 132 S HN 0.547 nan 8.310 nan 0.000 0.475 133 L N 3.332 124.505 121.223 -0.083 0.000 2.293 133 L HA 0.722 5.062 4.340 -0.000 0.000 0.264 133 L C 0.320 177.174 176.870 -0.025 0.000 1.029 133 L CA -1.377 53.422 54.840 -0.070 0.000 0.897 133 L CB 1.211 43.182 42.059 -0.146 0.000 1.497 133 L HN 0.520 nan 8.230 nan 0.000 0.495 134 R N -0.055 120.433 120.500 -0.021 0.000 2.670 134 R HA 0.301 4.641 4.340 -0.000 0.000 0.289 134 R C -1.361 174.929 176.300 -0.017 0.000 0.965 134 R CA -0.770 55.326 56.100 -0.007 0.000 0.899 134 R CB 1.957 32.261 30.300 0.007 0.000 1.173 134 R HN 0.660 nan 8.270 nan 0.000 0.456 135 D N 0.739 121.132 120.400 -0.012 0.000 2.447 135 D HA -0.064 4.576 4.640 -0.000 0.000 0.265 135 D C 0.916 177.212 176.300 -0.007 0.000 1.250 135 D CA -0.400 53.592 54.000 -0.013 0.000 1.046 135 D CB 0.509 41.302 40.800 -0.011 0.000 1.095 135 D HN 0.509 nan 8.370 nan 0.000 0.555 136 E N -0.087 120.109 120.200 -0.006 0.000 2.338 136 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 136 E C 0.225 176.824 176.600 -0.002 0.000 1.007 136 E CA 0.741 57.139 56.400 -0.003 0.000 0.849 136 E CB -0.587 29.111 29.700 -0.003 0.000 0.774 136 E HN 0.429 nan 8.360 nan 0.000 0.506 137 N N 0.705 119.403 118.700 -0.002 0.000 2.322 137 N HA 0.085 4.825 4.740 -0.000 0.000 0.194 137 N C 0.891 176.400 175.510 -0.001 0.000 1.126 137 N CA 0.816 53.865 53.050 -0.001 0.000 0.845 137 N CB 0.934 39.421 38.487 -0.001 0.000 0.976 137 N HN 0.442 nan 8.380 nan 0.000 0.475 138 G N 0.968 109.767 108.800 -0.001 0.000 2.143 138 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.249 138 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.249 138 G C -0.089 174.813 174.900 0.003 0.000 0.981 138 G CA -0.309 44.791 45.100 0.000 0.000 0.665 138 G HN 0.285 nan 8.290 nan 0.000 0.528 139 N N 0.808 119.510 118.700 0.004 0.000 2.530 139 N HA 0.549 5.289 4.740 -0.000 0.000 0.277 139 N C 0.563 176.083 175.510 0.017 0.000 1.168 139 N CA 0.518 53.575 53.050 0.011 0.000 0.979 139 N CB 1.261 39.754 38.487 0.010 0.000 1.141 139 N HN 0.672 nan 8.380 nan 0.000 0.459 140 A N 1.951 124.791 122.820 0.033 0.000 2.450 140 A HA 0.450 4.770 4.320 -0.000 0.000 0.255 140 A C 0.501 178.100 177.584 0.025 0.000 1.096 140 A CA -0.249 51.813 52.037 0.042 0.000 0.778 140 A CB -0.427 18.625 19.000 0.087 0.000 1.031 140 A HN 0.713 nan 8.150 nan 0.000 0.494 141 I N -0.388 120.182 120.570 -0.000 0.000 3.042 141 I HA 0.739 4.909 4.170 -0.000 0.000 0.310 141 I C -0.439 175.651 176.117 -0.044 0.000 1.117 141 I CA -1.333 59.955 61.300 -0.019 0.000 1.003 141 I CB 1.922 39.902 38.000 -0.033 0.000 1.228 141 I HN 0.411 nan 8.210 nan 0.000 0.443 142 R N 2.166 122.639 120.500 -0.046 0.000 2.604 142 R HA 0.848 5.188 4.340 -0.000 0.000 0.287 142 R C -1.198 175.052 176.300 -0.083 0.000 0.970 142 R CA -0.997 55.066 56.100 -0.062 0.000 0.946 142 R CB 2.472 32.753 30.300 -0.033 0.000 1.127 142 R HN 0.630 nan 8.270 nan 0.000 0.473 143 V N 1.541 121.391 119.914 -0.107 0.000 3.077 143 V HA 0.161 4.281 4.120 -0.000 0.000 0.299 143 V C -1.376 174.676 176.094 -0.070 0.000 1.276 143 V CA -0.903 61.329 62.300 -0.113 0.000 0.993 143 V CB 2.742 34.424 31.823 -0.236 0.000 1.076 143 V HN 0.669 nan 8.190 nan 0.000 0.434 144 D N 3.285 123.673 120.400 -0.021 0.000 2.488 144 D HA 0.246 4.886 4.640 -0.000 0.000 0.238 144 D C 0.513 176.844 176.300 0.052 0.000 1.138 144 D CA 0.658 54.663 54.000 0.009 0.000 0.873 144 D CB 1.152 41.963 40.800 0.018 0.000 1.183 144 D HN 0.878 nan 8.370 nan 0.000 0.458 145 T N -0.082 114.482 114.554 0.016 0.000 2.946 145 T HA 0.097 4.446 4.350 -0.000 0.000 0.311 145 T C 0.432 175.143 174.700 0.019 0.000 1.063 145 T CA -0.553 61.559 62.100 0.019 0.000 1.139 145 T CB 0.227 69.084 68.868 -0.019 0.000 0.994 145 T HN 0.159 nan 8.240 nan 0.000 0.547 146 T N 3.529 118.073 114.554 -0.017 0.000 2.884 146 T HA 0.250 4.599 4.350 -0.000 0.000 0.298 146 T C 0.704 175.368 174.700 -0.061 0.000 0.998 146 T CA -0.428 61.622 62.100 -0.083 0.000 1.124 146 T CB 0.489 69.236 68.868 -0.201 0.000 0.931 146 T HN 0.776 nan 8.240 nan 0.000 0.531 147 T N 6.778 121.299 114.554 -0.055 0.000 2.908 147 T HA 0.178 4.528 4.350 -0.000 0.000 0.301 147 T C -1.852 172.819 174.700 -0.049 0.000 1.019 147 T CA -0.650 61.423 62.100 -0.046 0.000 1.152 147 T CB 0.214 69.058 68.868 -0.041 0.000 0.966 147 T HN 0.432 nan 8.240 nan 0.000 0.540 148 P HA 0.361 nan 4.420 nan 0.000 0.281 148 P C -0.651 176.627 177.300 -0.037 0.000 1.281 148 P CA -0.916 62.162 63.100 -0.037 0.000 0.811 148 P CB 0.809 32.491 31.700 -0.030 0.000 1.154 149 R N -0.374 120.108 120.500 -0.030 0.000 2.604 149 R HA 0.771 5.111 4.340 -0.000 0.000 0.287 149 R C -0.423 175.861 176.300 -0.027 0.000 0.970 149 R CA -1.038 55.045 56.100 -0.029 0.000 0.946 149 R CB 0.775 31.060 30.300 -0.024 0.000 1.127 149 R HN 0.371 nan 8.270 nan 0.000 0.473 150 A N 4.270 127.070 122.820 -0.033 0.000 2.492 150 A HA 0.205 4.525 4.320 -0.000 0.000 0.254 150 A C 0.256 177.833 177.584 -0.012 0.000 1.091 150 A CA -0.588 51.426 52.037 -0.038 0.000 0.768 150 A CB -0.019 18.953 19.000 -0.047 0.000 1.028 150 A HN 0.713 nan 8.150 nan 0.000 0.498 151 L N 2.335 123.565 121.223 0.013 0.000 2.540 151 L HA 0.023 4.363 4.340 -0.000 0.000 0.276 151 L C 0.728 177.603 176.870 0.009 0.000 1.212 151 L CA 0.083 54.936 54.840 0.021 0.000 0.893 151 L CB 0.219 42.311 42.059 0.055 0.000 1.138 151 L HN 0.726 nan 8.230 nan 0.000 0.491 152 E N 2.330 122.528 120.200 -0.004 0.000 2.376 152 E HA -0.033 4.317 4.350 -0.000 0.000 0.266 152 E C 1.000 177.592 176.600 -0.014 0.000 1.009 152 E CA -0.110 56.288 56.400 -0.003 0.000 0.902 152 E CB 0.788 30.486 29.700 -0.004 0.000 0.972 152 E HN 0.466 nan 8.360 nan 0.000 0.439 153 L N 3.789 125.013 121.223 0.001 0.000 2.085 153 L HA -0.277 4.063 4.340 -0.000 0.000 0.218 153 L C 1.094 177.952 176.870 -0.020 0.000 1.080 153 L CA 2.451 57.290 54.840 -0.002 0.000 0.776 153 L CB -0.545 41.549 42.059 0.059 0.000 0.891 153 L HN 0.741 nan 8.230 nan 0.000 0.437 154 D N -1.978 118.420 120.400 -0.004 0.000 2.338 154 D HA -0.127 4.513 4.640 -0.000 0.000 0.239 154 D C 1.527 177.816 176.300 -0.019 0.000 1.095 154 D CA 0.405 54.403 54.000 -0.004 0.000 0.888 154 D CB -0.078 40.725 40.800 0.006 0.000 0.899 154 D HN 0.473 nan 8.370 nan 0.000 0.525 155 E N -0.413 119.764 120.200 -0.039 0.000 2.389 155 E HA 0.183 4.533 4.350 -0.000 0.000 0.199 155 E C 1.939 178.496 176.600 -0.072 0.000 0.978 155 E CA -0.175 56.200 56.400 -0.043 0.000 0.912 155 E CB 0.280 29.958 29.700 -0.037 0.000 0.907 155 E HN 0.271 nan 8.360 nan 0.000 0.494 156 I N 1.874 122.371 120.570 -0.122 0.000 2.248 156 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 156 I C -0.849 175.205 176.117 -0.105 0.000 1.107 156 I CA 1.137 62.318 61.300 -0.198 0.000 1.373 156 I CB -1.167 36.589 38.000 -0.407 0.000 1.055 156 I HN 0.090 nan 8.210 nan 0.000 0.418 157 P HA -0.076 nan 4.420 nan 0.000 0.217 157 P C 1.697 178.997 177.300 0.001 0.000 1.151 157 P CA 1.445 64.541 63.100 -0.006 0.000 0.828 157 P CB -0.209 31.496 31.700 0.008 0.000 0.788 158 G N 0.575 109.368 108.800 -0.011 0.000 2.476 158 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 158 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 158 G C 1.433 176.335 174.900 0.003 0.000 1.164 158 G CA 0.678 45.775 45.100 -0.005 0.000 0.768 158 G HN 0.128 nan 8.290 nan 0.000 0.560 159 I N 0.927 121.490 120.570 -0.011 0.000 2.226 159 I HA -0.113 4.057 4.170 -0.000 0.000 0.245 159 I C 3.017 179.219 176.117 0.142 0.000 1.100 159 I CA 0.710 62.019 61.300 0.015 0.000 1.374 159 I CB -1.141 36.829 38.000 -0.051 0.000 1.057 159 I HN 0.050 nan 8.210 nan 0.000 0.413 160 V N 1.308 121.290 119.914 0.113 0.000 2.343 160 V HA -0.276 3.844 4.120 -0.000 0.000 0.247 160 V C 2.287 178.480 176.094 0.165 0.000 1.051 160 V CA 2.131 64.530 62.300 0.165 0.000 1.036 160 V CB -1.111 30.755 31.823 0.070 0.000 0.654 160 V HN 0.415 nan 8.190 nan 0.000 0.451 161 N N 0.442 119.197 118.700 0.092 0.000 2.223 161 N HA -0.185 4.554 4.740 -0.000 0.000 0.185 161 N C 1.417 176.968 175.510 0.069 0.000 1.016 161 N CA 1.559 54.652 53.050 0.071 0.000 0.863 161 N CB -0.186 38.325 38.487 0.040 0.000 0.983 161 N HN 0.471 nan 8.380 nan 0.000 0.429 162 D N -0.703 119.724 120.400 0.045 0.000 2.123 162 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 162 D C 1.526 177.812 176.300 -0.022 0.000 0.976 162 D CA 0.721 54.706 54.000 -0.025 0.000 0.831 162 D CB -0.429 40.307 40.800 -0.106 0.000 0.974 162 D HN 0.274 nan 8.370 nan 0.000 0.469 163 F N 1.316 121.296 119.950 0.049 0.000 2.126 163 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 163 F C 2.533 178.357 175.800 0.041 0.000 1.096 163 F CA 1.065 59.095 58.000 0.050 0.000 1.255 163 F CB -0.266 38.758 39.000 0.040 0.000 0.997 163 F HN -0.129 nan 8.300 nan 0.000 0.479 164 R N 0.229 120.862 120.500 0.221 0.000 2.073 164 R HA -0.236 4.104 4.340 -0.000 0.000 0.234 164 R C 2.257 178.611 176.300 0.091 0.000 1.134 164 R CA 1.865 58.048 56.100 0.138 0.000 0.952 164 R CB -0.454 29.907 30.300 0.102 0.000 0.850 164 R HN 0.226 nan 8.270 nan 0.000 0.433 165 Q N 0.308 120.149 119.800 0.068 0.000 2.124 165 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 165 Q C 1.742 177.766 176.000 0.040 0.000 0.977 165 Q CA 2.047 57.875 55.803 0.041 0.000 0.850 165 Q CB -0.230 28.529 28.738 0.035 0.000 0.901 165 Q HN 0.454 nan 8.270 nan 0.000 0.429 166 A N -0.770 122.082 122.820 0.054 0.000 1.930 166 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 166 A C 2.230 179.836 177.584 0.036 0.000 1.175 166 A CA 1.398 53.463 52.037 0.046 0.000 0.627 166 A CB -0.644 18.378 19.000 0.037 0.000 0.815 166 A HN 0.264 nan 8.150 nan 0.000 0.443 167 V N -0.154 119.805 119.914 0.075 0.000 2.407 167 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 167 V C 3.022 179.096 176.094 -0.033 0.000 1.055 167 V CA 1.796 64.150 62.300 0.090 0.000 1.049 167 V CB -1.054 30.878 31.823 0.180 0.000 0.662 167 V HN 0.608 nan 8.190 nan 0.000 0.455 168 A N 0.417 123.202 122.820 -0.059 0.000 1.902 168 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 168 A C 2.033 179.525 177.584 -0.153 0.000 1.181 168 A CA 2.030 53.974 52.037 -0.156 0.000 0.623 168 A CB -0.619 18.331 19.000 -0.084 0.000 0.818 168 A HN 0.588 nan 8.150 nan 0.000 0.443 169 N N 0.493 119.156 118.700 -0.061 0.000 2.188 169 N HA -0.049 4.691 4.740 -0.000 0.000 0.184 169 N C 1.814 177.320 175.510 -0.007 0.000 1.018 169 N CA 1.465 54.504 53.050 -0.020 0.000 0.858 169 N CB -0.576 37.928 38.487 0.029 0.000 0.989 169 N HN 0.466 nan 8.380 nan 0.000 0.426 170 A N 1.718 124.527 122.820 -0.019 0.000 1.902 170 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 170 A C 2.238 179.870 177.584 0.081 0.000 1.181 170 A CA 1.751 53.843 52.037 0.092 0.000 0.623 170 A CB -0.522 18.492 19.000 0.025 0.000 0.818 170 A HN 0.460 nan 8.150 nan 0.000 0.443 171 R N 0.009 120.320 120.500 -0.315 0.000 2.073 171 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 171 R C 2.023 178.187 176.300 -0.227 0.000 1.134 171 R CA 1.853 57.604 56.100 -0.581 0.000 0.952 171 R CB -0.661 28.747 30.300 -1.487 0.000 0.850 171 R HN 0.569 nan 8.270 nan 0.000 0.433 172 E N 0.395 120.482 120.200 -0.189 0.000 2.130 172 E HA -0.210 4.139 4.350 -0.000 0.000 0.196 172 E C 1.634 178.218 176.600 -0.027 0.000 0.998 172 E CA 1.434 57.780 56.400 -0.090 0.000 0.806 172 E CB -0.154 29.504 29.700 -0.069 0.000 0.738 172 E HN 0.590 nan 8.360 nan 0.000 0.459 173 A N -0.387 122.443 122.820 0.017 0.000 2.206 173 A HA 0.195 4.515 4.320 -0.000 0.000 0.211 173 A C 1.701 179.216 177.584 -0.116 0.000 1.158 173 A CA 1.062 53.106 52.037 0.012 0.000 0.761 173 A CB -0.269 18.811 19.000 0.133 0.000 0.801 173 A HN 0.496 nan 8.150 nan 0.000 0.473 174 G N -2.107 106.663 108.800 -0.050 0.000 2.157 174 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 174 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 174 G C 0.049 174.963 174.900 0.024 0.000 0.982 174 G CA -0.010 45.085 45.100 -0.009 0.000 0.650 174 G HN 0.294 nan 8.290 nan 0.000 0.527 175 F N 1.166 121.172 119.950 0.094 0.000 2.586 175 F HA 0.289 4.816 4.527 -0.000 0.000 0.344 175 F C 1.637 177.581 175.800 0.240 0.000 1.188 175 F CA 0.708 58.767 58.000 0.098 0.000 1.359 175 F CB 0.491 39.491 39.000 0.000 0.000 1.129 175 F HN -0.009 nan 8.300 nan 0.000 0.609 176 D N 0.727 121.348 120.400 0.369 0.000 2.277 176 D HA 0.167 4.807 4.640 -0.000 0.000 0.209 176 D C 0.289 176.643 176.300 0.091 0.000 0.970 176 D CA 1.024 55.157 54.000 0.221 0.000 0.874 176 D CB 0.484 41.366 40.800 0.137 0.000 0.982 176 D HN 0.190 nan 8.370 nan 0.000 0.504 177 L N -0.107 121.178 121.223 0.103 0.000 2.403 177 L HA 0.420 4.760 4.340 -0.000 0.000 0.253 177 L C -0.813 176.067 176.870 0.017 0.000 1.045 177 L CA -1.166 53.653 54.840 -0.035 0.000 0.845 177 L CB 2.836 44.895 42.059 -0.000 0.000 1.447 177 L HN -0.265 nan 8.230 nan 0.000 0.411 178 V N -1.582 118.304 119.914 -0.046 0.000 2.823 178 V HA 0.646 4.766 4.120 -0.000 0.000 0.312 178 V C -1.007 175.018 176.094 -0.114 0.000 1.072 178 V CA -0.435 61.823 62.300 -0.070 0.000 0.937 178 V CB 1.893 33.718 31.823 0.004 0.000 1.013 178 V HN 0.855 nan 8.190 nan 0.000 0.430 179 E N 3.975 124.112 120.200 -0.105 0.000 2.165 179 E HA 0.533 4.883 4.350 -0.000 0.000 0.266 179 E C -1.256 175.297 176.600 -0.077 0.000 0.889 179 E CA -0.845 55.497 56.400 -0.096 0.000 0.756 179 E CB 1.759 31.476 29.700 0.029 0.000 1.131 179 E HN 0.880 nan 8.360 nan 0.000 0.411 180 L N 4.499 125.669 121.223 -0.088 0.000 2.313 180 L HA 0.154 4.494 4.340 -0.000 0.000 0.282 180 L C 0.398 177.288 176.870 0.033 0.000 1.092 180 L CA -0.545 54.287 54.840 -0.014 0.000 0.831 180 L CB 0.312 42.307 42.059 -0.107 0.000 1.159 180 L HN 0.519 nan 8.230 nan 0.000 0.442 181 H N 2.960 122.067 119.070 0.062 0.000 3.205 181 H HA 0.052 4.608 4.556 -0.000 0.000 0.262 181 H C 0.374 175.773 175.328 0.117 0.000 1.333 181 H CA 0.090 56.181 56.048 0.072 0.000 1.499 181 H CB 0.855 30.718 29.762 0.167 0.000 1.609 181 H HN 0.550 nan 8.280 nan 0.000 0.498 182 S N 3.012 118.864 115.700 0.254 0.000 2.588 182 S HA 0.565 5.035 4.470 -0.000 0.000 0.245 182 S C 0.000 174.637 174.600 0.061 0.000 1.021 182 S CA 0.030 58.317 58.200 0.146 0.000 1.006 182 S CB -0.393 62.816 63.200 0.015 0.000 0.830 182 S HN 0.737 nan 8.310 nan 0.000 0.468 183 A N -0.019 122.907 122.820 0.176 0.000 2.443 183 A HA 0.755 5.075 4.320 -0.000 0.000 0.278 183 A C 0.047 177.713 177.584 0.137 0.000 1.252 183 A CA -0.477 51.450 52.037 -0.184 0.000 0.816 183 A CB 0.190 18.866 19.000 -0.540 0.000 1.369 183 A HN 0.689 nan 8.150 nan 0.000 0.446 184 H N -1.186 117.890 119.070 0.010 0.000 2.899 184 H HA -0.211 4.345 4.556 0.000 0.000 0.282 184 H C 1.225 176.535 175.328 -0.029 0.000 1.198 184 H CA 1.069 57.217 56.048 0.167 0.000 1.140 184 H CB -1.366 28.649 29.762 0.421 0.000 1.317 184 H HN 2.265 nan 8.280 nan 0.000 0.375 185 G N -1.555 107.494 108.800 0.414 0.000 2.148 185 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.254 185 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.254 185 G C 0.054 174.852 174.900 -0.169 0.000 0.981 185 G CA 0.627 45.761 45.100 0.056 0.000 0.670 185 G HN 0.519 nan 8.290 nan 0.000 0.528 186 Y N -1.287 119.143 120.300 0.217 0.000 2.314 186 Y HA 0.552 5.102 4.550 -0.000 0.000 0.359 186 Y C 1.854 177.858 175.900 0.173 0.000 1.360 186 Y CA -0.380 57.797 58.100 0.129 0.000 1.697 186 Y CB -0.216 38.258 38.460 0.025 0.000 1.630 186 Y HN 0.030 nan 8.280 nan 0.000 0.583 187 L N 0.287 121.728 121.223 0.364 0.000 1.990 187 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 187 L C 1.886 178.959 176.870 0.339 0.000 1.072 187 L CA 1.729 56.746 54.840 0.295 0.000 0.755 187 L CB -0.881 41.300 42.059 0.202 0.000 0.889 187 L HN 0.680 nan 8.230 nan 0.000 0.432 188 L N -1.429 119.984 121.223 0.316 0.000 2.042 188 L HA -0.291 4.049 4.340 -0.000 0.000 0.210 188 L C 2.630 179.691 176.870 0.319 0.000 1.076 188 L CA 1.856 56.845 54.840 0.249 0.000 0.749 188 L CB -0.871 41.282 42.059 0.155 0.000 0.893 188 L HN 0.510 nan 8.230 nan 0.000 0.432 189 H N -0.262 118.921 119.070 0.189 0.000 2.462 189 H HA -0.138 4.418 4.556 -0.000 0.000 0.292 189 H C 2.267 177.679 175.328 0.140 0.000 1.049 189 H CA 0.914 57.050 56.048 0.146 0.000 1.334 189 H CB 0.387 30.219 29.762 0.116 0.000 1.404 189 H HN 0.428 nan 8.280 nan 0.000 0.544 190 Q N -0.275 119.610 119.800 0.141 0.000 2.096 190 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 190 Q C 1.863 177.862 176.000 -0.003 0.000 0.982 190 Q CA 1.807 57.617 55.803 0.012 0.000 0.850 190 Q CB -0.045 28.725 28.738 0.055 0.000 0.901 190 Q HN 0.432 nan 8.270 nan 0.000 0.422 191 F N 0.009 119.983 119.950 0.040 0.000 2.206 191 F HA -0.108 4.419 4.527 0.000 0.000 0.298 191 F C 1.882 177.725 175.800 0.071 0.000 1.090 191 F CA 0.837 58.872 58.000 0.059 0.000 1.323 191 F CB -0.056 38.995 39.000 0.084 0.000 1.028 191 F HN 0.017 nan 8.300 nan 0.000 0.492 192 L N -1.104 120.278 121.223 0.265 0.000 2.141 192 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 192 L C 1.342 178.286 176.870 0.124 0.000 1.094 192 L CA 0.592 55.561 54.840 0.215 0.000 0.763 192 L CB -0.488 41.742 42.059 0.284 0.000 0.908 192 L HN -0.019 nan 8.230 nan 0.000 0.437 193 S N 0.204 115.917 115.700 0.022 0.000 2.474 193 S HA 0.159 4.629 4.470 -0.000 0.000 0.276 193 S C -1.485 173.093 174.600 -0.037 0.000 1.227 193 S CA -1.506 56.669 58.200 -0.042 0.000 1.050 193 S CB 0.949 64.029 63.200 -0.201 0.000 0.939 193 S HN -0.059 nan 8.310 nan 0.000 0.490 194 P HA -0.065 nan 4.420 nan 0.000 0.222 194 P C 1.405 178.681 177.300 -0.040 0.000 1.147 194 P CA 0.908 63.995 63.100 -0.023 0.000 0.790 194 P CB -0.140 31.554 31.700 -0.010 0.000 0.780 195 S N -0.596 115.077 115.700 -0.044 0.000 2.461 195 S HA -0.056 4.414 4.470 -0.000 0.000 0.228 195 S C 1.854 176.413 174.600 -0.069 0.000 1.005 195 S CA 1.250 59.421 58.200 -0.048 0.000 0.942 195 S CB -1.170 62.007 63.200 -0.039 0.000 0.776 195 S HN 0.280 nan 8.310 nan 0.000 0.514 196 S N 0.205 115.848 115.700 -0.094 0.000 2.512 196 S HA 0.280 4.750 4.470 -0.000 0.000 0.216 196 S C 0.312 174.826 174.600 -0.143 0.000 1.006 196 S CA -0.432 57.699 58.200 -0.114 0.000 0.915 196 S CB -0.444 62.676 63.200 -0.133 0.000 0.824 196 S HN 0.423 nan 8.310 nan 0.000 0.497 197 N N 1.682 120.301 118.700 -0.135 0.000 2.501 197 N HA 0.386 5.126 4.740 -0.000 0.000 0.245 197 N C -0.239 175.204 175.510 -0.112 0.000 0.974 197 N CA -0.104 52.843 53.050 -0.172 0.000 0.941 197 N CB 1.638 40.028 38.487 -0.162 0.000 1.122 197 N HN 0.143 nan 8.380 nan 0.000 0.507 198 Q N 1.706 121.438 119.800 -0.115 0.000 2.217 198 Q HA 0.306 4.646 4.340 -0.000 0.000 0.217 198 Q C -0.241 175.724 176.000 -0.058 0.000 0.844 198 Q CA -0.124 55.635 55.803 -0.073 0.000 0.957 198 Q CB 0.326 29.024 28.738 -0.067 0.000 1.127 198 Q HN 0.505 nan 8.270 nan 0.000 0.503 199 R N -0.400 120.057 120.500 -0.072 0.000 2.758 199 R HA 0.014 4.354 4.340 -0.000 0.000 0.263 199 R C 0.753 177.054 176.300 0.001 0.000 1.010 199 R CA 1.300 57.380 56.100 -0.032 0.000 1.114 199 R CB 0.332 30.622 30.300 -0.016 0.000 0.985 199 R HN 0.201 nan 8.270 nan 0.000 0.439 200 T N -3.198 111.365 114.554 0.016 0.000 3.084 200 T HA 0.036 4.386 4.350 -0.000 0.000 0.270 200 T C 0.178 174.900 174.700 0.037 0.000 1.008 200 T CA -0.388 61.723 62.100 0.019 0.000 0.900 200 T CB -0.072 68.800 68.868 0.008 0.000 1.084 200 T HN 0.654 nan 8.240 nan 0.000 0.538 201 D N 1.265 121.708 120.400 0.071 0.000 2.511 201 D HA 0.077 4.717 4.640 -0.000 0.000 0.283 201 D C 1.700 178.052 176.300 0.088 0.000 1.198 201 D CA -0.561 53.495 54.000 0.094 0.000 1.097 201 D CB 0.176 41.060 40.800 0.140 0.000 1.160 201 D HN 0.128 nan 8.370 nan 0.000 0.589 202 Q N -0.854 118.994 119.800 0.080 0.000 2.369 202 Q HA -0.137 4.203 4.340 -0.000 0.000 0.206 202 Q C 1.056 176.956 176.000 -0.168 0.000 0.963 202 Q CA 1.107 56.867 55.803 -0.070 0.000 0.894 202 Q CB -0.580 28.061 28.738 -0.160 0.000 0.965 202 Q HN 0.607 nan 8.270 nan 0.000 0.475 203 Y N 1.033 121.390 120.300 0.096 0.000 2.490 203 Y HA 0.354 4.903 4.550 -0.000 0.000 0.281 203 Y C 1.307 177.295 175.900 0.147 0.000 1.174 203 Y CA 0.301 58.502 58.100 0.169 0.000 1.295 203 Y CB 0.593 39.230 38.460 0.295 0.000 1.062 203 Y HN 0.176 nan 8.280 nan 0.000 0.522 204 G N -1.560 107.338 108.800 0.164 0.000 2.630 204 G HA2 0.593 4.553 3.960 -0.000 0.000 0.296 204 G HA3 0.593 4.553 3.960 -0.000 0.000 0.296 204 G C -0.012 174.906 174.900 0.029 0.000 1.285 204 G CA -0.186 44.961 45.100 0.077 0.000 0.958 204 G HN 0.345 nan 8.290 nan 0.000 0.479 205 G N -0.348 108.456 108.800 0.007 0.000 2.390 205 G HA2 0.313 4.273 3.960 -0.000 0.000 0.202 205 G HA3 0.313 4.273 3.960 -0.000 0.000 0.202 205 G C 0.687 175.572 174.900 -0.025 0.000 1.210 205 G CA 0.768 45.861 45.100 -0.012 0.000 1.271 205 G HN 2.066 nan 8.290 nan 0.000 0.543 206 S N -0.271 115.401 115.700 -0.046 0.000 2.626 206 S HA 0.495 4.965 4.470 -0.000 0.000 0.257 206 S C 1.569 176.111 174.600 -0.097 0.000 1.288 206 S CA 0.733 58.886 58.200 -0.077 0.000 0.980 206 S CB 1.417 64.555 63.200 -0.103 0.000 0.975 206 S HN 1.974 nan 8.310 nan 0.000 0.577 207 V N 1.132 120.947 119.914 -0.166 0.000 2.407 207 V HA -0.144 3.976 4.120 -0.000 0.000 0.248 207 V C 2.398 178.360 176.094 -0.220 0.000 1.055 207 V CA 2.566 64.757 62.300 -0.181 0.000 1.049 207 V CB -1.340 30.327 31.823 -0.260 0.000 0.662 207 V HN 0.933 nan 8.190 nan 0.000 0.455 208 E N 0.797 120.766 120.200 -0.386 0.000 2.114 208 E HA -0.250 4.100 4.350 -0.000 0.000 0.199 208 E C 1.934 178.518 176.600 -0.027 0.000 1.008 208 E CA 2.207 58.499 56.400 -0.179 0.000 0.810 208 E CB -0.388 29.222 29.700 -0.151 0.000 0.739 208 E HN 0.676 nan 8.360 nan 0.000 0.456 209 N N -0.324 118.347 118.700 -0.050 0.000 2.300 209 N HA -0.004 4.736 4.740 -0.000 0.000 0.179 209 N C 1.383 176.924 175.510 0.052 0.000 1.016 209 N CA 0.713 53.743 53.050 -0.032 0.000 0.876 209 N CB 0.054 38.520 38.487 -0.035 0.000 0.979 209 N HN 0.065 nan 8.380 nan 0.000 0.432 210 R N 0.084 120.632 120.500 0.081 0.000 2.148 210 R HA 0.182 4.522 4.340 -0.000 0.000 0.223 210 R C 1.335 177.760 176.300 0.208 0.000 1.088 210 R CA 0.940 57.137 56.100 0.161 0.000 0.985 210 R CB -0.013 30.352 30.300 0.108 0.000 0.880 210 R HN 0.136 nan 8.270 nan 0.000 0.451 211 A N 0.885 123.809 122.820 0.174 0.000 2.251 211 A HA 0.018 4.338 4.320 -0.000 0.000 0.209 211 A C 1.895 179.561 177.584 0.137 0.000 1.187 211 A CA -0.034 52.114 52.037 0.185 0.000 0.823 211 A CB -0.242 18.921 19.000 0.271 0.000 0.846 211 A HN 0.149 nan 8.150 nan 0.000 0.486 212 R N -0.493 120.074 120.500 0.111 0.000 2.096 212 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 212 R C 1.910 178.272 176.300 0.103 0.000 1.127 212 R CA 1.764 57.883 56.100 0.033 0.000 0.968 212 R CB -0.313 29.867 30.300 -0.201 0.000 0.861 212 R HN 0.455 nan 8.270 nan 0.000 0.440 213 L N 0.402 121.733 121.223 0.180 0.000 2.005 213 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 213 L C 2.214 179.049 176.870 -0.058 0.000 1.072 213 L CA 1.578 56.444 54.840 0.044 0.000 0.744 213 L CB -0.771 41.097 42.059 -0.319 0.000 0.895 213 L HN 0.065 nan 8.230 nan 0.000 0.433 214 V N -0.340 119.546 119.914 -0.046 0.000 2.392 214 V HA -0.286 3.834 4.120 -0.000 0.000 0.249 214 V C 2.479 178.517 176.094 -0.094 0.000 1.059 214 V CA 2.224 64.465 62.300 -0.098 0.000 1.051 214 V CB -0.268 31.532 31.823 -0.038 0.000 0.658 214 V HN 0.518 nan 8.190 nan 0.000 0.455 215 L N -0.509 120.693 121.223 -0.035 0.000 2.093 215 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 215 L C 2.587 179.436 176.870 -0.035 0.000 1.085 215 L CA 1.932 56.751 54.840 -0.035 0.000 0.755 215 L CB -0.617 41.436 42.059 -0.009 0.000 0.904 215 L HN 0.397 nan 8.230 nan 0.000 0.435 216 E N -0.477 119.713 120.200 -0.016 0.000 2.153 216 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 216 E C 2.219 178.795 176.600 -0.040 0.000 0.988 216 E CA 1.046 57.443 56.400 -0.006 0.000 0.811 216 E CB 0.061 29.784 29.700 0.039 0.000 0.746 216 E HN 0.270 nan 8.360 nan 0.000 0.466 217 V N 0.275 120.125 119.914 -0.107 0.000 2.407 217 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 217 V C 2.233 178.241 176.094 -0.143 0.000 1.041 217 V CA 0.954 63.146 62.300 -0.181 0.000 1.040 217 V CB -0.066 31.466 31.823 -0.484 0.000 0.671 217 V HN 0.122 nan 8.190 nan 0.000 0.455 218 V N 0.560 120.392 119.914 -0.137 0.000 2.231 218 V HA -0.325 3.795 4.120 -0.000 0.000 0.248 218 V C 2.313 178.377 176.094 -0.050 0.000 1.054 218 V CA 2.473 64.715 62.300 -0.096 0.000 1.015 218 V CB -0.813 30.957 31.823 -0.089 0.000 0.638 218 V HN 0.562 nan 8.190 nan 0.000 0.444 219 D N 0.294 120.672 120.400 -0.036 0.000 2.149 219 D HA -0.143 4.497 4.640 -0.000 0.000 0.198 219 D C 2.163 178.466 176.300 0.005 0.000 0.990 219 D CA 1.696 55.688 54.000 -0.013 0.000 0.839 219 D CB -0.380 40.415 40.800 -0.008 0.000 0.948 219 D HN 0.486 nan 8.370 nan 0.000 0.460 220 A N 0.729 123.554 122.820 0.007 0.000 1.930 220 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 220 A C 2.463 180.079 177.584 0.053 0.000 1.175 220 A CA 1.802 53.858 52.037 0.033 0.000 0.627 220 A CB -0.624 18.402 19.000 0.044 0.000 0.815 220 A HN 0.242 nan 8.150 nan 0.000 0.443 221 V N -3.399 116.543 119.914 0.047 0.000 2.591 221 V HA -0.158 3.962 4.120 -0.000 0.000 0.249 221 V C 2.249 178.399 176.094 0.094 0.000 1.053 221 V CA 1.484 63.834 62.300 0.084 0.000 1.068 221 V CB -1.602 30.270 31.823 0.082 0.000 0.689 221 V HN 0.496 nan 8.190 nan 0.000 0.462 222 C N 1.218 120.543 119.300 0.042 0.000 2.413 222 C HA -0.135 4.325 4.460 -0.000 0.000 0.276 222 C C 2.746 177.775 174.990 0.065 0.000 1.248 222 C CA 2.222 61.259 59.018 0.032 0.000 1.742 222 C CB -1.736 26.002 27.740 -0.004 0.000 2.017 222 C HN 0.809 nan 8.230 nan 0.000 0.481 223 N N 0.339 119.074 118.700 0.059 0.000 2.396 223 N HA -0.125 4.615 4.740 -0.000 0.000 0.180 223 N C 1.594 177.155 175.510 0.086 0.000 1.028 223 N CA 1.031 54.118 53.050 0.061 0.000 0.893 223 N CB -0.091 38.422 38.487 0.043 0.000 0.967 223 N HN 0.567 nan 8.380 nan 0.000 0.440 224 E N -1.644 118.623 120.200 0.113 0.000 2.340 224 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 224 E C 0.757 177.465 176.600 0.180 0.000 0.996 224 E CA 0.511 56.977 56.400 0.111 0.000 0.869 224 E CB -0.002 29.755 29.700 0.095 0.000 0.835 224 E HN 0.400 nan 8.360 nan 0.000 0.493 225 W N -0.516 120.787 121.300 0.005 0.000 4.485 225 W HA 0.560 5.219 4.660 -0.000 0.000 0.171 225 W C -0.594 175.923 176.519 -0.002 0.000 3.441 225 W CA 0.537 57.884 57.345 0.003 0.000 1.218 225 W CB 0.486 29.948 29.460 0.003 0.000 2.098 225 W HN -0.146 nan 8.180 nan 0.000 0.366 226 S N -0.798 114.972 115.700 0.117 0.000 2.579 226 S HA 0.455 4.925 4.470 -0.000 0.000 0.290 226 S C 0.270 174.780 174.600 -0.151 0.000 1.123 226 S CA 0.091 58.258 58.200 -0.056 0.000 0.894 226 S CB 0.707 63.836 63.200 -0.119 0.000 1.095 226 S HN 0.698 nan 8.310 nan 0.000 0.450 227 A N 2.667 125.431 122.820 -0.093 0.000 1.997 227 A HA -0.168 4.152 4.320 -0.000 0.000 0.221 227 A C 1.493 178.989 177.584 -0.147 0.000 1.172 227 A CA 2.573 54.549 52.037 -0.102 0.000 0.645 227 A CB -0.871 18.088 19.000 -0.069 0.000 0.813 227 A HN 0.982 nan 8.150 nan 0.000 0.454 228 D N -1.726 118.571 120.400 -0.173 0.000 2.349 228 D HA -0.047 4.593 4.640 -0.000 0.000 0.224 228 D C 1.447 177.589 176.300 -0.264 0.000 1.029 228 D CA 0.285 54.182 54.000 -0.172 0.000 0.879 228 D CB -0.236 40.484 40.800 -0.133 0.000 0.906 228 D HN 0.322 nan 8.370 nan 0.000 0.528 229 R N 0.049 120.296 120.500 -0.421 0.000 2.362 229 R HA 0.218 4.558 4.340 -0.000 0.000 0.227 229 R C 0.061 176.132 176.300 -0.383 0.000 0.905 229 R CA -0.173 55.569 56.100 -0.596 0.000 1.067 229 R CB 0.805 30.298 30.300 -1.345 0.000 1.078 229 R HN 0.222 nan 8.270 nan 0.000 0.516 230 I N 0.877 121.276 120.570 -0.285 0.000 2.330 230 I HA 0.347 4.517 4.170 -0.000 0.000 0.289 230 I C 0.725 176.602 176.117 -0.401 0.000 1.001 230 I CA -0.655 60.492 61.300 -0.255 0.000 1.193 230 I CB 1.024 38.922 38.000 -0.169 0.000 1.345 230 I HN -0.067 nan 8.210 nan 0.000 0.461 231 G N 6.313 114.736 108.800 -0.628 0.000 2.537 231 G HA2 0.803 4.763 3.960 -0.000 0.000 0.323 231 G HA3 0.803 4.763 3.960 -0.000 0.000 0.323 231 G C -1.209 173.319 174.900 -0.619 0.000 1.207 231 G CA -0.561 43.789 45.100 -1.250 0.000 0.976 231 G HN 0.529 nan 8.290 nan 0.000 0.487 232 I N -0.279 120.007 120.570 -0.472 0.000 2.656 232 I HA 0.543 4.713 4.170 -0.000 0.000 0.292 232 I C -0.866 175.186 176.117 -0.109 0.000 1.144 232 I CA -1.032 60.139 61.300 -0.216 0.000 1.038 232 I CB 2.176 40.064 38.000 -0.187 0.000 1.244 232 I HN 0.500 nan 8.210 nan 0.000 0.420 233 R N 6.729 127.152 120.500 -0.129 0.000 2.294 233 R HA 0.725 5.065 4.340 -0.000 0.000 0.319 233 R C -1.405 174.755 176.300 -0.234 0.000 0.984 233 R CA -0.501 55.464 56.100 -0.225 0.000 0.861 233 R CB 1.556 31.581 30.300 -0.458 0.000 1.104 233 R HN 0.497 nan 8.270 nan 0.000 0.451 234 V N 0.678 120.446 119.914 -0.244 0.000 2.962 234 V HA 0.683 4.803 4.120 -0.000 0.000 0.313 234 V C -0.649 175.255 176.094 -0.316 0.000 1.099 234 V CA -0.758 61.396 62.300 -0.244 0.000 0.971 234 V CB 2.216 33.956 31.823 -0.139 0.000 1.028 234 V HN 0.820 nan 8.190 nan 0.000 0.430 235 S N 1.512 116.939 115.700 -0.454 0.000 2.158 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.160 235 S C -2.515 171.907 174.600 -0.296 0.000 1.693 235 S CA -1.011 56.862 58.200 -0.546 0.000 1.251 235 S CB 1.183 63.630 63.200 -1.256 0.000 1.153 235 S HN 0.731 nan 8.310 nan 0.000 0.439 236 P HA 0.383 nan 4.420 nan 0.000 0.267 236 P C -0.461 176.922 177.300 0.138 0.000 1.289 236 P CA -0.051 63.094 63.100 0.076 0.000 0.866 236 P CB 0.210 31.956 31.700 0.077 0.000 1.309 237 I N 0.293 120.994 120.570 0.219 0.000 2.411 237 I HA 0.625 4.794 4.170 -0.000 0.000 0.284 237 I C 0.899 177.239 176.117 0.371 0.000 1.012 237 I CA -0.430 60.964 61.300 0.158 0.000 1.119 237 I CB 0.529 38.467 38.000 -0.104 0.000 1.261 237 I HN 0.149 nan 8.210 nan 0.000 0.448 238 G N 5.111 114.060 108.800 0.247 0.000 2.318 238 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.367 238 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.367 238 G C -0.922 174.038 174.900 0.100 0.000 1.260 238 G CA -0.881 44.283 45.100 0.107 0.000 1.055 238 G HN 0.462 nan 8.290 nan 0.000 0.484 239 T N 0.607 115.060 114.554 -0.169 0.000 2.807 239 T HA 0.681 5.031 4.350 -0.000 0.000 0.279 239 T C -1.205 173.292 174.700 -0.338 0.000 0.993 239 T CA -0.033 62.019 62.100 -0.081 0.000 0.970 239 T CB 1.112 69.936 68.868 -0.073 0.000 0.950 239 T HN 0.530 nan 8.240 nan 0.000 0.441 240 F N 2.037 122.070 119.950 0.137 0.000 2.539 240 F HA 0.362 4.889 4.527 0.000 0.000 0.328 240 F C 0.739 176.586 175.800 0.079 0.000 1.148 240 F CA -0.903 57.176 58.000 0.131 0.000 0.940 240 F CB 1.639 40.786 39.000 0.244 0.000 1.194 240 F HN 0.542 nan 8.300 nan 0.000 0.438 241 Q N 3.422 123.309 119.800 0.145 0.000 2.439 241 Q HA -0.414 3.926 4.340 -0.000 0.000 0.325 241 Q C 0.685 176.712 176.000 0.045 0.000 1.372 241 Q CA 1.008 56.858 55.803 0.079 0.000 0.909 241 Q CB -1.199 27.574 28.738 0.059 0.000 1.167 241 Q HN 0.999 nan 8.270 nan 0.000 0.418 242 N N -1.677 117.043 118.700 0.033 0.000 2.815 242 N HA -0.210 4.530 4.740 -0.000 0.000 0.247 242 N C -0.741 174.774 175.510 0.007 0.000 1.030 242 N CA 0.832 53.888 53.050 0.010 0.000 0.881 242 N CB -0.427 38.058 38.487 -0.003 0.000 1.134 242 N HN 0.210 nan 8.380 nan 0.000 0.582 243 V N 2.322 122.260 119.914 0.039 0.000 2.318 243 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 243 V C 0.182 176.324 176.094 0.079 0.000 1.030 243 V CA -0.451 61.845 62.300 -0.008 0.000 0.844 243 V CB 1.305 33.056 31.823 -0.120 0.000 1.015 243 V HN 0.213 nan 8.190 nan 0.000 0.460 244 D N 3.996 124.418 120.400 0.037 0.000 2.217 244 D HA 0.169 4.809 4.640 -0.000 0.000 0.248 244 D C 0.262 176.615 176.300 0.089 0.000 1.008 244 D CA -0.669 53.382 54.000 0.085 0.000 0.914 244 D CB 1.489 42.311 40.800 0.037 0.000 1.182 244 D HN 0.291 nan 8.370 nan 0.000 0.451 245 N N 0.364 119.150 118.700 0.143 0.000 2.383 245 N HA 0.197 4.937 4.740 -0.000 0.000 0.192 245 N C 0.886 176.440 175.510 0.074 0.000 1.141 245 N CA 0.699 53.837 53.050 0.147 0.000 0.851 245 N CB 0.290 38.896 38.487 0.198 0.000 0.976 245 N HN 0.796 nan 8.380 nan 0.000 0.465 246 G N 1.382 110.207 108.800 0.041 0.000 2.728 246 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.294 246 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.294 246 G C -2.162 172.744 174.900 0.010 0.000 1.342 246 G CA -0.633 44.478 45.100 0.018 0.000 0.866 246 G HN 0.046 nan 8.290 nan 0.000 0.534 247 P HA 0.106 nan 4.420 nan 0.000 0.227 247 P C 0.717 178.013 177.300 -0.007 0.000 1.161 247 P CA 1.152 64.249 63.100 -0.005 0.000 0.788 247 P CB 0.021 31.717 31.700 -0.007 0.000 0.822 248 N N -0.210 118.488 118.700 -0.002 0.000 2.610 248 N HA 0.042 4.782 4.740 -0.000 0.000 0.309 248 N C 1.089 176.603 175.510 0.006 0.000 1.536 248 N CA -0.244 52.805 53.050 -0.001 0.000 0.954 248 N CB 0.134 38.622 38.487 0.001 0.000 1.310 248 N HN 0.250 nan 8.380 nan 0.000 0.502 249 E N 0.791 120.988 120.200 -0.005 0.000 2.077 249 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 249 E C 1.026 177.616 176.600 -0.016 0.000 0.989 249 E CA 1.038 57.440 56.400 0.003 0.000 0.800 249 E CB -0.034 29.663 29.700 -0.005 0.000 0.746 249 E HN 0.437 nan 8.360 nan 0.000 0.452 250 E N 0.970 121.124 120.200 -0.077 0.000 2.023 250 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 250 E C 2.238 178.902 176.600 0.107 0.000 1.003 250 E CA 1.280 57.644 56.400 -0.059 0.000 0.809 250 E CB -0.230 29.414 29.700 -0.095 0.000 0.755 250 E HN 0.431 nan 8.360 nan 0.000 0.449 251 A N 1.467 124.332 122.820 0.075 0.000 1.940 251 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 251 A C 1.763 179.425 177.584 0.129 0.000 1.176 251 A CA 1.926 54.022 52.037 0.097 0.000 0.631 251 A CB -0.374 18.660 19.000 0.057 0.000 0.814 251 A HN 0.151 nan 8.150 nan 0.000 0.446 252 D N -0.451 120.014 120.400 0.108 0.000 2.149 252 D HA 0.076 4.716 4.640 -0.000 0.000 0.201 252 D C 2.272 178.687 176.300 0.191 0.000 0.972 252 D CA 1.261 55.342 54.000 0.135 0.000 0.835 252 D CB -0.316 40.540 40.800 0.094 0.000 0.966 252 D HN 0.397 nan 8.370 nan 0.000 0.476 253 A N 0.824 123.744 122.820 0.167 0.000 1.858 253 A HA -0.118 4.202 4.320 -0.000 0.000 0.216 253 A C 2.381 180.064 177.584 0.166 0.000 1.190 253 A CA 0.897 53.042 52.037 0.179 0.000 0.617 253 A CB -0.872 18.268 19.000 0.234 0.000 0.827 253 A HN 0.201 nan 8.150 nan 0.000 0.443 254 L N -1.869 119.467 121.223 0.188 0.000 2.043 254 L HA -0.258 4.082 4.340 -0.000 0.000 0.212 254 L C 2.640 179.570 176.870 0.100 0.000 1.075 254 L CA 2.144 57.052 54.840 0.113 0.000 0.752 254 L CB -0.791 41.342 42.059 0.123 0.000 0.891 254 L HN 0.647 nan 8.230 nan 0.000 0.432 255 Y N 0.671 120.998 120.300 0.045 0.000 2.128 255 Y HA -0.308 4.242 4.550 -0.000 0.000 0.284 255 Y C 2.404 178.321 175.900 0.028 0.000 1.154 255 Y CA 1.806 59.925 58.100 0.032 0.000 1.149 255 Y CB -0.189 38.290 38.460 0.031 0.000 0.976 255 Y HN 0.072 nan 8.280 nan 0.000 0.505 256 L N 0.513 121.746 121.223 0.015 0.000 2.083 256 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 256 L C 2.111 178.894 176.870 -0.145 0.000 1.083 256 L CA 1.695 56.476 54.840 -0.098 0.000 0.752 256 L CB -0.769 41.322 42.059 0.053 0.000 0.899 256 L HN 0.404 nan 8.230 nan 0.000 0.433 257 I N -0.646 119.875 120.570 -0.082 0.000 2.252 257 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 257 I C 2.381 178.471 176.117 -0.044 0.000 1.102 257 I CA 1.263 62.529 61.300 -0.057 0.000 1.385 257 I CB -0.371 37.596 38.000 -0.056 0.000 1.064 257 I HN 0.351 nan 8.210 nan 0.000 0.414 258 E N 0.686 120.818 120.200 -0.113 0.000 2.038 258 E HA -0.243 4.106 4.350 -0.000 0.000 0.195 258 E C 2.161 178.661 176.600 -0.168 0.000 1.000 258 E CA 1.286 57.607 56.400 -0.132 0.000 0.803 258 E CB 0.005 29.621 29.700 -0.140 0.000 0.750 258 E HN 0.355 nan 8.360 nan 0.000 0.448 259 E N 0.588 120.608 120.200 -0.299 0.000 2.058 259 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 259 E C 2.295 178.827 176.600 -0.113 0.000 0.997 259 E CA 0.950 57.202 56.400 -0.247 0.000 0.801 259 E CB -0.354 29.138 29.700 -0.346 0.000 0.746 259 E HN 0.318 nan 8.360 nan 0.000 0.450 260 L N 0.451 121.634 121.223 -0.067 0.000 2.083 260 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 260 L C 2.540 179.460 176.870 0.083 0.000 1.083 260 L CA 1.208 56.063 54.840 0.024 0.000 0.752 260 L CB -0.601 41.492 42.059 0.057 0.000 0.899 260 L HN 0.050 nan 8.230 nan 0.000 0.433 261 A N 0.077 122.939 122.820 0.071 0.000 1.972 261 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 261 A C 2.301 179.834 177.584 -0.084 0.000 1.169 261 A CA 1.536 53.513 52.037 -0.100 0.000 0.635 261 A CB -0.368 18.491 19.000 -0.236 0.000 0.810 261 A HN 0.343 nan 8.150 nan 0.000 0.446 262 K N -0.979 119.388 120.400 -0.054 0.000 2.280 262 K HA -0.089 4.231 4.320 -0.000 0.000 0.202 262 K C 1.656 178.233 176.600 -0.039 0.000 1.047 262 K CA 1.174 57.436 56.287 -0.042 0.000 0.942 262 K CB -0.053 32.420 32.500 -0.045 0.000 0.739 262 K HN 0.248 nan 8.250 nan 0.000 0.457 263 R N -0.461 120.017 120.500 -0.037 0.000 2.317 263 R HA 0.080 4.420 4.340 -0.000 0.000 0.208 263 R C 0.612 176.886 176.300 -0.042 0.000 0.914 263 R CA 0.457 56.536 56.100 -0.034 0.000 1.060 263 R CB 0.427 30.708 30.300 -0.031 0.000 1.015 263 R HN 0.260 nan 8.270 nan 0.000 0.498 264 G N 2.305 111.069 108.800 -0.060 0.000 2.356 264 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.296 264 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.296 264 G C 0.343 175.203 174.900 -0.066 0.000 1.022 264 G CA 0.660 45.709 45.100 -0.085 0.000 0.961 264 G HN 0.510 nan 8.290 nan 0.000 0.510 265 I N -3.146 117.410 120.570 -0.023 0.000 2.938 265 I HA 0.586 4.756 4.170 -0.000 0.000 0.285 265 I C 1.567 177.702 176.117 0.030 0.000 1.182 265 I CA -0.194 61.097 61.300 -0.015 0.000 1.388 265 I CB 0.516 38.505 38.000 -0.018 0.000 1.390 265 I HN 0.168 nan 8.210 nan 0.000 0.600 266 A N 4.421 127.226 122.820 -0.025 0.000 1.883 266 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 266 A C 0.753 178.484 177.584 0.245 0.000 1.186 266 A CA 1.988 54.054 52.037 0.050 0.000 0.624 266 A CB -0.745 18.256 19.000 0.002 0.000 0.822 266 A HN 0.974 nan 8.150 nan 0.000 0.444 267 Y N -4.884 115.501 120.300 0.141 0.000 2.624 267 Y HA 0.637 5.187 4.550 -0.000 0.000 0.334 267 Y C -1.325 174.548 175.900 -0.046 0.000 1.155 267 Y CA -1.803 56.386 58.100 0.149 0.000 1.046 267 Y CB 0.822 39.316 38.460 0.056 0.000 1.316 267 Y HN 0.075 nan 8.280 nan 0.000 0.457 268 L N 3.466 124.657 121.223 -0.052 0.000 2.298 268 L HA 0.469 4.809 4.340 -0.000 0.000 0.284 268 L C -1.238 175.645 176.870 0.021 0.000 1.013 268 L CA -0.293 54.356 54.840 -0.319 0.000 0.824 268 L CB 0.781 42.218 42.059 -1.037 0.000 1.221 268 L HN 0.897 nan 8.230 nan 0.000 0.418 269 H N 6.093 125.172 119.070 0.015 0.000 2.581 269 H HA 0.488 5.044 4.556 -0.000 0.000 0.308 269 H C -1.017 174.257 175.328 -0.091 0.000 1.040 269 H CA -0.869 55.168 56.048 -0.019 0.000 1.231 269 H CB 0.887 30.695 29.762 0.076 0.000 1.396 269 H HN 0.604 nan 8.280 nan 0.000 0.467 270 M N 4.184 123.881 119.600 0.160 0.000 2.066 270 M HA 0.112 4.592 4.480 -0.000 0.000 0.340 270 M C -0.043 176.280 176.300 0.039 0.000 1.053 270 M CA -0.512 54.831 55.300 0.071 0.000 0.983 270 M CB 1.683 34.380 32.600 0.162 0.000 1.520 270 M HN 0.432 nan 8.290 nan 0.000 0.428 271 S N 2.717 118.368 115.700 -0.081 0.000 2.422 271 S HA 0.160 4.630 4.470 -0.000 0.000 0.283 271 S C 0.741 175.401 174.600 0.100 0.000 1.163 271 S CA -0.343 57.842 58.200 -0.026 0.000 1.054 271 S CB 0.342 63.488 63.200 -0.090 0.000 0.967 271 S HN 0.755 nan 8.310 nan 0.000 0.499 272 E N 2.816 123.083 120.200 0.112 0.000 2.276 272 E HA 0.075 4.425 4.350 -0.000 0.000 0.193 272 E C 0.495 177.281 176.600 0.309 0.000 0.983 272 E CA 0.242 56.667 56.400 0.041 0.000 0.861 272 E CB 0.479 29.919 29.700 -0.434 0.000 0.817 272 E HN 0.592 nan 8.360 nan 0.000 0.485 273 T N -0.071 114.694 114.554 0.351 0.000 2.916 273 T HA 0.151 4.501 4.350 -0.000 0.000 0.305 273 T C -1.026 173.865 174.700 0.319 0.000 1.119 273 T CA -0.954 61.316 62.100 0.283 0.000 1.008 273 T CB 1.683 70.624 68.868 0.122 0.000 1.129 273 T HN -0.195 nan 8.240 nan 0.000 0.480 280 P HA 0.069 nan 4.420 nan 0.000 0.267 280 P C -0.360 177.093 177.300 0.255 0.000 1.195 280 P CA -0.070 63.109 63.100 0.132 0.000 0.773 280 P CB 0.132 31.866 31.700 0.056 0.000 0.837 281 Y N 0.279 120.622 120.300 0.071 0.000 2.620 281 Y HA 0.029 4.579 4.550 -0.000 0.000 0.330 281 Y C 1.778 177.749 175.900 0.119 0.000 1.186 281 Y CA -0.957 57.218 58.100 0.126 0.000 1.467 281 Y CB 0.463 39.071 38.460 0.245 0.000 1.262 281 Y HN 0.418 nan 8.280 nan 0.000 0.550 282 S N 1.965 117.806 115.700 0.234 0.000 2.568 282 S HA -0.016 4.454 4.470 -0.000 0.000 0.282 282 S C 0.747 175.471 174.600 0.207 0.000 1.338 282 S CA -0.663 57.643 58.200 0.178 0.000 1.045 282 S CB 1.232 64.509 63.200 0.129 0.000 0.873 282 S HN 0.824 nan 8.310 nan 0.000 0.516 283 E N 1.762 122.043 120.200 0.136 0.000 2.204 283 E HA -0.107 4.243 4.350 -0.000 0.000 0.194 283 E C 2.276 178.935 176.600 0.098 0.000 0.989 283 E CA 0.976 57.441 56.400 0.110 0.000 0.824 283 E CB -0.369 29.373 29.700 0.071 0.000 0.756 283 E HN 0.876 nan 8.360 nan 0.000 0.477 284 A N 0.815 123.698 122.820 0.104 0.000 1.908 284 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 284 A C 1.917 179.572 177.584 0.118 0.000 1.181 284 A CA 1.147 53.240 52.037 0.093 0.000 0.627 284 A CB -0.649 18.405 19.000 0.090 0.000 0.818 284 A HN 0.378 nan 8.150 nan 0.000 0.445 285 F N 0.552 120.508 119.950 0.011 0.000 2.146 285 F HA -0.062 4.465 4.527 0.000 0.000 0.298 285 F C 2.347 178.152 175.800 0.009 0.000 1.096 285 F CA 1.491 59.480 58.000 -0.017 0.000 1.275 285 F CB -0.230 38.720 39.000 -0.083 0.000 1.008 285 F HN 0.101 nan 8.300 nan 0.000 0.480 286 R N -0.143 120.343 120.500 -0.023 0.000 2.092 286 R HA -0.158 4.181 4.340 -0.000 0.000 0.231 286 R C 2.224 178.453 176.300 -0.119 0.000 1.119 286 R CA 1.571 57.621 56.100 -0.082 0.000 0.970 286 R CB -0.543 29.814 30.300 0.095 0.000 0.864 286 R HN 0.409 nan 8.270 nan 0.000 0.440 287 Q N 0.615 120.381 119.800 -0.056 0.000 2.124 287 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 287 Q C 1.723 177.678 176.000 -0.076 0.000 0.977 287 Q CA 1.467 57.246 55.803 -0.041 0.000 0.850 287 Q CB 0.162 28.898 28.738 -0.003 0.000 0.901 287 Q HN 0.248 nan 8.270 nan 0.000 0.429 288 K N -0.535 119.790 120.400 -0.126 0.000 2.288 288 K HA -0.046 4.273 4.320 -0.000 0.000 0.201 288 K C 1.859 178.342 176.600 -0.195 0.000 1.048 288 K CA 0.707 56.917 56.287 -0.127 0.000 0.956 288 K CB 0.248 32.686 32.500 -0.103 0.000 0.746 288 K HN 0.060 nan 8.250 nan 0.000 0.461 289 V N 1.186 120.912 119.914 -0.313 0.000 2.379 289 V HA -0.154 3.966 4.120 -0.000 0.000 0.243 289 V C 2.339 178.368 176.094 -0.108 0.000 1.035 289 V CA 1.396 63.527 62.300 -0.281 0.000 1.035 289 V CB -0.245 31.332 31.823 -0.410 0.000 0.673 289 V HN 0.192 nan 8.190 nan 0.000 0.457 290 R N 1.707 122.161 120.500 -0.076 0.000 2.081 290 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 290 R C 2.200 178.503 176.300 0.005 0.000 1.131 290 R CA 2.310 58.407 56.100 -0.006 0.000 0.960 290 R CB -0.771 29.528 30.300 -0.001 0.000 0.856 290 R HN 0.759 nan 8.270 nan 0.000 0.436 291 E N -0.487 119.706 120.200 -0.011 0.000 2.268 291 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 291 E C 1.726 178.319 176.600 -0.011 0.000 0.995 291 E CA 0.936 57.346 56.400 0.018 0.000 0.836 291 E CB -0.119 29.589 29.700 0.014 0.000 0.763 291 E HN 0.303 nan 8.360 nan 0.000 0.491 292 R N -0.916 119.542 120.500 -0.070 0.000 2.223 292 R HA 0.182 4.522 4.340 -0.000 0.000 0.198 292 R C -0.262 175.861 176.300 -0.295 0.000 0.984 292 R CA 0.237 56.261 56.100 -0.127 0.000 1.018 292 R CB 0.275 30.534 30.300 -0.068 0.000 0.945 292 R HN 0.094 nan 8.270 nan 0.000 0.479 293 F N 0.505 120.222 119.950 -0.388 0.000 2.403 293 F HA 0.234 4.761 4.527 0.000 0.000 0.355 293 F C 0.365 175.956 175.800 -0.348 0.000 1.119 293 F CA -0.863 56.895 58.000 -0.403 0.000 1.007 293 F CB 0.978 39.856 39.000 -0.202 0.000 1.194 293 F HN 0.009 nan 8.300 nan 0.000 0.443 294 H N 2.762 121.544 119.070 -0.480 0.000 2.497 294 H HA 0.221 4.777 4.556 -0.000 0.000 0.282 294 H C 1.639 176.778 175.328 -0.316 0.000 1.003 294 H CA 0.267 56.135 56.048 -0.300 0.000 1.307 294 H CB -0.003 29.612 29.762 -0.244 0.000 1.437 294 H HN 0.680 nan 8.280 nan 0.000 0.544 295 G N 0.939 109.371 108.800 -0.612 0.000 2.527 295 G HA2 0.140 4.100 3.960 -0.000 0.000 0.279 295 G HA3 0.140 4.100 3.960 -0.000 0.000 0.279 295 G C -0.136 174.891 174.900 0.212 0.000 1.374 295 G CA -0.484 44.483 45.100 -0.223 0.000 1.053 295 G HN 0.110 nan 8.290 nan 0.000 0.539 296 V N 0.184 120.282 119.914 0.308 0.000 2.637 296 V HA 0.233 4.353 4.120 -0.000 0.000 0.296 296 V C 0.377 176.626 176.094 0.260 0.000 1.046 296 V CA 0.363 62.799 62.300 0.227 0.000 1.066 296 V CB 0.945 32.867 31.823 0.166 0.000 0.968 296 V HN 0.376 nan 8.190 nan 0.000 0.483 297 I N 5.929 126.548 120.570 0.081 0.000 2.418 297 I HA 0.469 4.639 4.170 -0.000 0.000 0.287 297 I C -0.530 175.493 176.117 -0.158 0.000 1.008 297 I CA -0.311 60.975 61.300 -0.024 0.000 1.104 297 I CB 1.741 39.738 38.000 -0.006 0.000 1.264 297 I HN 0.423 nan 8.210 nan 0.000 0.438 298 I N 5.147 125.583 120.570 -0.223 0.000 2.377 298 I HA 0.500 4.670 4.170 -0.000 0.000 0.293 298 I C 0.644 176.564 176.117 -0.329 0.000 0.987 298 I CA -0.282 60.763 61.300 -0.425 0.000 1.185 298 I CB 1.768 39.351 38.000 -0.694 0.000 1.341 298 I HN 0.582 nan 8.210 nan 0.000 0.455 299 G N 4.032 112.554 108.800 -0.463 0.000 2.410 299 G HA2 0.839 4.799 3.960 -0.000 0.000 0.330 299 G HA3 0.839 4.799 3.960 -0.000 0.000 0.330 299 G C -1.177 173.301 174.900 -0.702 0.000 1.142 299 G CA -0.455 44.370 45.100 -0.458 0.000 0.902 299 G HN 0.831 nan 8.290 nan 0.000 0.491 300 A N -0.479 122.127 122.820 -0.356 0.000 2.612 300 A HA 0.968 5.288 4.320 -0.000 0.000 0.293 300 A C -0.072 177.581 177.584 0.115 0.000 1.075 300 A CA 0.038 51.947 52.037 -0.213 0.000 0.680 300 A CB 1.384 20.412 19.000 0.046 0.000 1.279 300 A HN 2.603 nan 8.150 nan 0.000 0.411 301 G N -0.370 108.541 108.800 0.184 0.000 2.992 301 G HA2 0.556 4.516 3.960 -0.000 0.000 0.677 301 G HA3 0.556 4.516 3.960 -0.000 0.000 0.677 301 G C 0.710 175.738 174.900 0.214 0.000 1.191 301 G CA 0.927 46.149 45.100 0.204 0.000 1.178 301 G HN 2.710 nan 8.290 nan 0.000 0.506 302 A N 0.477 123.408 122.820 0.185 0.000 2.847 302 A HA -0.212 4.107 4.320 -0.000 0.000 0.263 302 A C 0.741 178.406 177.584 0.134 0.000 1.391 302 A CA 1.770 53.892 52.037 0.142 0.000 0.866 302 A CB -2.190 16.854 19.000 0.073 0.000 1.057 302 A HN 2.101 nan 8.150 nan 0.000 0.673 303 Y N 0.543 120.856 120.300 0.021 0.000 2.457 303 Y HA 0.363 4.913 4.550 -0.000 0.000 0.341 303 Y C 1.606 177.648 175.900 0.235 0.000 1.240 303 Y CA 1.465 59.574 58.100 0.016 0.000 1.437 303 Y CB 0.665 38.975 38.460 -0.251 0.000 1.328 303 Y HN 0.645 nan 8.280 nan 0.000 0.588 304 T N -1.517 113.223 114.554 0.310 0.000 2.930 304 T HA 0.616 4.966 4.350 -0.000 0.000 0.290 304 T C 0.812 175.732 174.700 0.367 0.000 1.052 304 T CA -0.460 61.828 62.100 0.314 0.000 1.017 304 T CB 1.631 70.575 68.868 0.125 0.000 1.137 304 T HN 0.710 nan 8.240 nan 0.000 0.511 305 A N 1.301 124.284 122.820 0.272 0.000 1.892 305 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 305 A C 2.230 179.904 177.584 0.150 0.000 1.188 305 A CA 1.893 54.066 52.037 0.226 0.000 0.631 305 A CB -0.935 18.131 19.000 0.110 0.000 0.822 305 A HN 0.984 nan 8.150 nan 0.000 0.447 306 E N 0.386 120.648 120.200 0.103 0.000 2.268 306 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 306 E C 1.820 178.450 176.600 0.050 0.000 0.995 306 E CA 1.433 57.873 56.400 0.066 0.000 0.836 306 E CB -0.436 29.292 29.700 0.046 0.000 0.763 306 E HN 0.722 nan 8.360 nan 0.000 0.491 307 K N 1.012 121.441 120.400 0.048 0.000 2.057 307 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 307 K C 2.197 178.839 176.600 0.070 0.000 1.050 307 K CA 1.153 57.430 56.287 -0.016 0.000 0.935 307 K CB -0.151 32.236 32.500 -0.189 0.000 0.715 307 K HN 0.136 nan 8.250 nan 0.000 0.439 308 A N 1.838 124.768 122.820 0.184 0.000 1.845 308 A HA -0.182 4.138 4.320 -0.000 0.000 0.215 308 A C 1.961 179.571 177.584 0.043 0.000 1.195 308 A CA 1.582 53.715 52.037 0.160 0.000 0.616 308 A CB -0.587 18.477 19.000 0.105 0.000 0.832 308 A HN 0.363 nan 8.150 nan 0.000 0.443 309 E N -0.085 120.131 120.200 0.028 0.000 2.033 309 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 309 E C 1.755 178.362 176.600 0.012 0.000 1.011 309 E CA 1.683 58.087 56.400 0.005 0.000 0.815 309 E CB -0.653 29.062 29.700 0.026 0.000 0.755 309 E HN 0.654 nan 8.360 nan 0.000 0.451 310 D N 0.680 121.094 120.400 0.022 0.000 2.230 310 D HA -0.208 4.432 4.640 -0.000 0.000 0.189 310 D C 2.159 178.468 176.300 0.015 0.000 1.006 310 D CA 1.581 55.591 54.000 0.017 0.000 0.853 310 D CB -0.403 40.404 40.800 0.011 0.000 0.959 310 D HN 0.090 nan 8.370 nan 0.000 0.449 311 L N -0.191 121.047 121.223 0.025 0.000 2.056 311 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 311 L C 2.726 179.599 176.870 0.006 0.000 1.078 311 L CA 0.591 55.448 54.840 0.028 0.000 0.749 311 L CB -0.365 41.734 42.059 0.067 0.000 0.901 311 L HN 0.199 nan 8.230 nan 0.000 0.433 312 I N -0.097 120.464 120.570 -0.014 0.000 2.127 312 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 312 I C 2.695 178.798 176.117 -0.022 0.000 1.075 312 I CA 1.517 62.793 61.300 -0.040 0.000 1.334 312 I CB -1.022 36.935 38.000 -0.072 0.000 1.040 312 I HN 0.281 nan 8.210 nan 0.000 0.405 313 G N 1.039 109.832 108.800 -0.011 0.000 2.513 313 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.219 313 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.219 313 G C 1.647 176.547 174.900 0.001 0.000 1.160 313 G CA 0.904 46.003 45.100 -0.002 0.000 0.767 313 G HN 0.353 nan 8.290 nan 0.000 0.571 314 K N 0.321 120.724 120.400 0.004 0.000 2.555 314 K HA 0.204 4.524 4.320 -0.000 0.000 0.193 314 K C 1.642 178.246 176.600 0.006 0.000 1.032 314 K CA 0.372 56.663 56.287 0.008 0.000 1.004 314 K CB -0.088 32.420 32.500 0.014 0.000 0.804 314 K HN 0.387 nan 8.250 nan 0.000 0.496 315 G N 1.258 110.058 108.800 0.000 0.000 2.203 315 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.263 315 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.263 315 G C 0.566 175.467 174.900 0.003 0.000 1.012 315 G CA 0.270 45.369 45.100 -0.001 0.000 0.749 315 G HN 0.297 nan 8.290 nan 0.000 0.512 316 L N -0.659 120.567 121.223 0.005 0.000 2.249 316 L HA 0.423 4.763 4.340 -0.000 0.000 0.207 316 L C 1.722 178.595 176.870 0.004 0.000 1.090 316 L CA 1.140 55.986 54.840 0.011 0.000 0.802 316 L CB -0.073 42.001 42.059 0.025 0.000 0.947 316 L HN 0.640 nan 8.230 nan 0.000 0.453 317 I N -5.515 115.046 120.570 -0.014 0.000 3.174 317 I HA 0.371 4.541 4.170 -0.000 0.000 0.313 317 I C -0.490 175.576 176.117 -0.085 0.000 1.155 317 I CA -0.757 60.512 61.300 -0.052 0.000 0.977 317 I CB 2.150 40.102 38.000 -0.081 0.000 1.248 317 I HN -0.208 nan 8.210 nan 0.000 0.453 318 D N 1.564 121.883 120.400 -0.136 0.000 2.455 318 D HA 0.384 5.024 4.640 -0.000 0.000 0.228 318 D C 0.438 176.561 176.300 -0.296 0.000 1.070 318 D CA 0.521 54.424 54.000 -0.161 0.000 0.881 318 D CB 1.556 42.294 40.800 -0.104 0.000 1.087 318 D HN 0.668 nan 8.370 nan 0.000 0.498 319 A N 0.308 122.852 122.820 -0.459 0.000 2.593 319 A HA 0.630 4.949 4.320 -0.000 0.000 0.290 319 A C -1.380 175.742 177.584 -0.770 0.000 1.126 319 A CA -0.502 51.078 52.037 -0.761 0.000 0.695 319 A CB 1.915 20.048 19.000 -1.444 0.000 1.290 319 A HN -0.100 nan 8.150 nan 0.000 0.414 320 V N 0.257 119.668 119.914 -0.838 0.000 2.656 320 V HA 0.727 4.847 4.120 -0.000 0.000 0.307 320 V C 0.222 175.833 176.094 -0.806 0.000 1.051 320 V CA -0.175 61.571 62.300 -0.924 0.000 0.893 320 V CB 1.721 32.931 31.823 -1.023 0.000 0.999 320 V HN 1.501 nan 8.190 nan 0.000 0.426 321 A N 4.379 126.777 122.820 -0.703 0.000 2.292 321 A HA 0.865 5.185 4.320 -0.000 0.000 0.319 321 A C -1.076 176.278 177.584 -0.384 0.000 1.206 321 A CA -0.260 51.576 52.037 -0.335 0.000 0.835 321 A CB 0.355 19.267 19.000 -0.147 0.000 1.164 321 A HN 0.602 nan 8.150 nan 0.000 0.505 322 F N 2.069 122.087 119.950 0.113 0.000 2.404 322 F HA 0.505 5.032 4.527 -0.000 0.000 0.354 322 F C 1.329 177.241 175.800 0.188 0.000 1.122 322 F CA 0.373 58.464 58.000 0.150 0.000 1.080 322 F CB 2.004 41.094 39.000 0.151 0.000 1.131 322 F HN 0.707 nan 8.300 nan 0.000 0.471 323 G N 3.091 112.052 108.800 0.268 0.000 2.670 323 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.219 323 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.219 323 G C 1.537 176.497 174.900 0.101 0.000 1.342 323 G CA -0.082 45.115 45.100 0.161 0.000 0.902 323 G HN 0.542 nan 8.290 nan 0.000 0.553 324 R N 0.487 121.010 120.500 0.039 0.000 2.096 324 R HA -0.029 4.310 4.340 -0.000 0.000 0.235 324 R C 2.125 178.396 176.300 -0.048 0.000 1.127 324 R CA 1.316 57.373 56.100 -0.072 0.000 0.968 324 R CB -0.302 30.005 30.300 0.012 0.000 0.861 324 R HN 0.237 nan 8.270 nan 0.000 0.440 325 D N 0.020 120.427 120.400 0.011 0.000 2.182 325 D HA -0.180 4.460 4.640 -0.000 0.000 0.201 325 D C 1.593 177.776 176.300 -0.195 0.000 0.986 325 D CA 1.287 55.224 54.000 -0.105 0.000 0.847 325 D CB -0.160 40.551 40.800 -0.148 0.000 0.942 325 D HN 0.208 nan 8.370 nan 0.000 0.467 326 Y N 0.810 121.065 120.300 -0.075 0.000 2.263 326 Y HA -0.013 4.537 4.550 -0.000 0.000 0.292 326 Y C 2.346 178.131 175.900 -0.192 0.000 1.130 326 Y CA 0.364 58.399 58.100 -0.109 0.000 1.179 326 Y CB -0.257 38.185 38.460 -0.030 0.000 0.998 326 Y HN -0.051 nan 8.280 nan 0.000 0.532 327 I N -0.794 119.750 120.570 -0.043 0.000 2.194 327 I HA -0.377 3.793 4.170 -0.000 0.000 0.246 327 I C 2.280 178.131 176.117 -0.443 0.000 1.093 327 I CA 1.648 62.867 61.300 -0.134 0.000 1.355 327 I CB -0.453 37.382 38.000 -0.275 0.000 1.046 327 I HN 0.190 nan 8.210 nan 0.000 0.413 328 A N -0.475 121.983 122.820 -0.602 0.000 2.238 328 A HA 0.107 4.427 4.320 -0.000 0.000 0.210 328 A C 0.513 177.768 177.584 -0.548 0.000 1.179 328 A CA 0.312 51.701 52.037 -1.079 0.000 0.827 328 A CB -0.056 18.600 19.000 -0.573 0.000 0.856 328 A HN 0.417 nan 8.150 nan 0.000 0.488 329 N N -0.079 118.422 118.700 -0.333 0.000 2.621 329 N HA 0.162 4.902 4.740 -0.000 0.000 0.271 329 N C -2.725 172.666 175.510 -0.198 0.000 1.181 329 N CA -0.857 52.059 53.050 -0.224 0.000 0.805 329 N CB 1.933 40.258 38.487 -0.270 0.000 1.351 329 N HN -0.015 nan 8.380 nan 0.000 0.539 330 P HA -0.110 nan 4.420 nan 0.000 0.217 330 P C 0.261 177.562 177.300 0.001 0.000 1.150 330 P CA 1.402 64.492 63.100 -0.017 0.000 0.832 330 P CB 0.188 31.876 31.700 -0.019 0.000 0.787 331 D N -0.117 120.251 120.400 -0.053 0.000 3.072 331 D HA 0.017 4.656 4.640 -0.000 0.000 0.250 331 D C 1.369 177.590 176.300 -0.132 0.000 1.304 331 D CA -0.590 53.380 54.000 -0.051 0.000 0.861 331 D CB -0.466 40.312 40.800 -0.037 0.000 1.062 331 D HN -0.039 nan 8.370 nan 0.000 0.481 332 L N 0.340 121.389 121.223 -0.289 0.000 2.127 332 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 332 L C 1.879 178.617 176.870 -0.221 0.000 1.089 332 L CA 1.330 55.912 54.840 -0.430 0.000 0.757 332 L CB -0.261 41.211 42.059 -0.978 0.000 0.899 332 L HN 0.052 nan 8.230 nan 0.000 0.434 333 V N -0.257 119.618 119.914 -0.065 0.000 2.261 333 V HA -0.288 3.832 4.120 -0.000 0.000 0.246 333 V C 2.775 178.904 176.094 0.059 0.000 1.047 333 V CA 1.605 63.966 62.300 0.102 0.000 1.015 333 V CB -1.390 30.538 31.823 0.175 0.000 0.642 333 V HN 0.596 nan 8.190 nan 0.000 0.446 334 A N 0.218 123.031 122.820 -0.012 0.000 1.873 334 A HA -0.278 4.042 4.320 -0.000 0.000 0.218 334 A C 2.373 179.908 177.584 -0.082 0.000 1.193 334 A CA 2.256 54.258 52.037 -0.059 0.000 0.629 334 A CB -0.574 18.396 19.000 -0.050 0.000 0.826 334 A HN 0.529 nan 8.150 nan 0.000 0.447 335 R N -0.643 119.807 120.500 -0.084 0.000 2.073 335 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 335 R C 2.164 178.417 176.300 -0.078 0.000 1.134 335 R CA 1.504 57.549 56.100 -0.092 0.000 0.952 335 R CB -0.611 29.617 30.300 -0.119 0.000 0.850 335 R HN 0.514 nan 8.270 nan 0.000 0.433 336 L N 0.606 121.796 121.223 -0.057 0.000 2.079 336 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 336 L C 2.754 179.672 176.870 0.080 0.000 1.081 336 L CA 1.424 56.286 54.840 0.037 0.000 0.752 336 L CB -0.427 41.685 42.059 0.088 0.000 0.896 336 L HN 0.312 nan 8.230 nan 0.000 0.433 337 Q N 0.573 120.311 119.800 -0.103 0.000 2.119 337 Q HA -0.176 4.164 4.340 -0.000 0.000 0.201 337 Q C 1.250 177.084 176.000 -0.277 0.000 0.972 337 Q CA 1.408 56.886 55.803 -0.541 0.000 0.847 337 Q CB 0.245 28.514 28.738 -0.782 0.000 0.903 337 Q HN 0.348 nan 8.270 nan 0.000 0.433 338 K N 0.548 120.851 120.400 -0.161 0.000 2.577 338 K HA 0.087 4.407 4.320 -0.000 0.000 0.210 338 K C -0.655 175.904 176.600 -0.068 0.000 1.048 338 K CA -0.123 56.099 56.287 -0.108 0.000 1.188 338 K CB 0.595 33.041 32.500 -0.090 0.000 0.910 338 K HN 0.021 nan 8.250 nan 0.000 0.483 339 K N -0.332 120.037 120.400 -0.052 0.000 3.139 339 K HA -0.247 4.073 4.320 -0.000 0.000 0.261 339 K C -0.025 176.555 176.600 -0.034 0.000 0.895 339 K CA 0.850 57.120 56.287 -0.028 0.000 0.664 339 K CB -2.103 30.387 32.500 -0.016 0.000 1.388 339 K HN 0.390 nan 8.250 nan 0.000 0.472 340 A N 0.722 123.515 122.820 -0.045 0.000 2.257 340 A HA 0.332 4.652 4.320 -0.000 0.000 0.289 340 A C 0.339 177.897 177.584 -0.044 0.000 1.095 340 A CA -0.452 51.559 52.037 -0.043 0.000 0.836 340 A CB 0.501 19.471 19.000 -0.050 0.000 1.111 340 A HN 0.363 nan 8.150 nan 0.000 0.497 341 E N -0.434 119.745 120.200 -0.035 0.000 2.373 341 E HA 0.426 4.776 4.350 -0.000 0.000 0.263 341 E C -0.921 175.653 176.600 -0.044 0.000 1.073 341 E CA -0.173 56.208 56.400 -0.032 0.000 0.894 341 E CB 0.455 30.145 29.700 -0.017 0.000 1.008 341 E HN 0.493 nan 8.360 nan 0.000 0.420 342 L N 2.908 124.102 121.223 -0.048 0.000 2.343 342 L HA 0.348 4.688 4.340 -0.000 0.000 0.275 342 L C 0.302 177.158 176.870 -0.023 0.000 1.056 342 L CA -1.211 53.592 54.840 -0.062 0.000 0.804 342 L CB 0.907 42.911 42.059 -0.092 0.000 1.203 342 L HN 0.482 nan 8.230 nan 0.000 0.440 343 N N 1.563 120.256 118.700 -0.012 0.000 2.374 343 N HA 0.118 4.858 4.740 -0.000 0.000 0.241 343 N C -2.329 173.219 175.510 0.064 0.000 1.262 343 N CA -0.832 52.250 53.050 0.054 0.000 0.880 343 N CB -0.137 38.428 38.487 0.130 0.000 1.105 343 N HN 0.337 nan 8.380 nan 0.000 0.438 344 P HA 0.126 nan 4.420 nan 0.000 0.276 344 P C -0.476 176.955 177.300 0.218 0.000 1.230 344 P CA -0.084 63.089 63.100 0.121 0.000 0.776 344 P CB 0.532 32.294 31.700 0.103 0.000 0.888 345 Q N 1.849 121.761 119.800 0.187 0.000 2.340 345 Q HA 0.317 4.657 4.340 -0.000 0.000 0.249 345 Q C 0.101 176.256 176.000 0.259 0.000 0.957 345 Q CA -0.073 55.904 55.803 0.290 0.000 0.882 345 Q CB 0.868 29.788 28.738 0.303 0.000 1.235 345 Q HN 0.271 nan 8.270 nan 0.000 0.439 346 R N 2.508 123.216 120.500 0.348 0.000 2.664 346 R HA 0.184 4.524 4.340 -0.000 0.000 0.281 346 R C -1.951 174.180 176.300 -0.281 0.000 1.383 346 R CA -1.622 54.527 56.100 0.081 0.000 1.563 346 R CB 0.588 30.949 30.300 0.101 0.000 1.131 346 R HN 0.474 nan 8.270 nan 0.000 0.599 347 P HA -0.249 nan 4.420 nan 0.000 0.220 347 P C 0.985 177.795 177.300 -0.817 0.000 1.144 347 P CA 1.143 63.271 63.100 -1.621 0.000 0.800 347 P CB 0.276 31.497 31.700 -0.799 0.000 0.772 348 E N 0.251 120.239 120.200 -0.353 0.000 2.409 348 E HA -0.093 4.257 4.350 -0.000 0.000 0.198 348 E C 0.813 177.376 176.600 -0.061 0.000 1.024 348 E CA 1.342 57.657 56.400 -0.142 0.000 0.861 348 E CB -0.756 28.900 29.700 -0.074 0.000 0.788 348 E HN 0.351 nan 8.360 nan 0.000 0.521 349 S N -0.808 114.862 115.700 -0.050 0.000 2.663 349 S HA 0.216 4.686 4.470 -0.000 0.000 0.243 349 S C 1.061 175.780 174.600 0.199 0.000 1.009 349 S CA -0.683 57.561 58.200 0.072 0.000 0.988 349 S CB -0.377 62.871 63.200 0.081 0.000 0.896 349 S HN -0.045 nan 8.310 nan 0.000 0.502 350 F N 2.110 122.013 119.950 -0.079 0.000 2.095 350 F HA 0.106 4.633 4.527 0.000 0.000 0.298 350 F C 0.503 176.091 175.800 -0.354 0.000 1.104 350 F CA -0.011 57.825 58.000 -0.274 0.000 1.232 350 F CB -0.909 37.769 39.000 -0.538 0.000 0.987 350 F HN 0.275 nan 8.300 nan 0.000 0.475 351 Y N -0.295 120.147 120.300 0.236 0.000 2.331 351 Y HA 0.532 5.082 4.550 -0.000 0.000 0.338 351 Y C 0.864 176.793 175.900 0.049 0.000 0.992 351 Y CA -0.804 57.370 58.100 0.124 0.000 1.121 351 Y CB 0.700 39.250 38.460 0.151 0.000 1.184 351 Y HN 0.302 nan 8.280 nan 0.000 0.469 352 G N 1.044 109.921 108.800 0.128 0.000 2.828 352 G HA2 0.341 4.301 3.960 -0.000 0.000 0.463 352 G HA3 0.341 4.301 3.960 -0.000 0.000 0.463 352 G C 0.167 175.049 174.900 -0.030 0.000 1.394 352 G CA -0.207 44.915 45.100 0.037 0.000 0.862 352 G HN 1.810 nan 8.290 nan 0.000 0.540 353 G N -1.820 106.957 108.800 -0.038 0.000 2.475 353 G HA2 0.540 4.500 3.960 -0.000 0.000 0.223 353 G HA3 0.540 4.500 3.960 -0.000 0.000 0.223 353 G C 1.159 176.009 174.900 -0.083 0.000 1.201 353 G CA 1.075 46.150 45.100 -0.041 0.000 0.962 353 G HN 2.813 nan 8.290 nan 0.000 0.586 354 G N -2.557 106.206 108.800 -0.062 0.000 3.137 354 G HA2 0.741 4.701 3.960 -0.000 0.000 0.196 354 G HA3 0.741 4.701 3.960 -0.000 0.000 0.196 354 G C 1.300 176.219 174.900 0.032 0.000 1.135 354 G CA 1.443 46.518 45.100 -0.042 0.000 0.803 354 G HN 1.969 nan 8.290 nan 0.000 0.619 355 A N -0.673 122.199 122.820 0.087 0.000 1.978 355 A HA 0.092 4.412 4.320 -0.000 0.000 0.220 355 A C 1.226 178.889 177.584 0.133 0.000 1.170 355 A CA 1.658 53.789 52.037 0.156 0.000 0.636 355 A CB -0.575 18.481 19.000 0.094 0.000 0.810 355 A HN 0.540 nan 8.150 nan 0.000 0.448 356 E N -0.559 119.678 120.200 0.062 0.000 2.366 356 E HA 0.322 4.672 4.350 -0.000 0.000 0.266 356 E C 1.065 177.683 176.600 0.029 0.000 1.015 356 E CA 0.458 56.867 56.400 0.015 0.000 0.906 356 E CB -0.026 29.670 29.700 -0.007 0.000 0.979 356 E HN 0.696 nan 8.360 nan 0.000 0.443 357 G N 3.641 112.401 108.800 -0.067 0.000 2.166 357 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.260 357 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.260 357 G C 0.122 175.202 174.900 0.300 0.000 0.986 357 G CA 0.929 45.997 45.100 -0.053 0.000 0.683 357 G HN 0.747 nan 8.290 nan 0.000 0.527 358 Y N -0.446 119.912 120.300 0.097 0.000 2.972 358 Y HA 0.213 4.763 4.550 -0.000 0.000 0.229 358 Y C 2.526 178.586 175.900 0.266 0.000 0.980 358 Y CA 1.089 59.285 58.100 0.160 0.000 1.475 358 Y CB 0.541 39.001 38.460 -0.001 0.000 1.459 358 Y HN 0.394 nan 8.280 nan 0.000 0.460 359 T N -2.138 112.493 114.554 0.127 0.000 3.134 359 T HA 0.091 4.441 4.350 -0.000 0.000 0.260 359 T C 0.235 174.970 174.700 0.058 0.000 1.027 359 T CA 0.333 62.456 62.100 0.039 0.000 0.913 359 T CB -0.047 68.830 68.868 0.015 0.000 1.046 359 T HN 0.471 nan 8.240 nan 0.000 0.553 360 D N -0.372 120.051 120.400 0.039 0.000 2.395 360 D HA 0.058 4.698 4.640 -0.000 0.000 0.213 360 D C -0.393 175.882 176.300 -0.042 0.000 1.110 360 D CA -0.611 53.373 54.000 -0.026 0.000 0.835 360 D CB -0.564 40.190 40.800 -0.076 0.000 0.965 360 D HN 0.395 nan 8.370 nan 0.000 0.505 361 Y N 1.539 121.861 120.300 0.037 0.000 2.335 361 Y HA 0.404 4.954 4.550 -0.000 0.000 0.331 361 Y C -1.890 174.013 175.900 0.004 0.000 1.094 361 Y CA -1.802 56.314 58.100 0.027 0.000 1.253 361 Y CB 0.990 39.472 38.460 0.036 0.000 1.203 361 Y HN -0.055 nan 8.280 nan 0.000 0.508 362 P HA 0.362 nan 4.420 nan 0.000 0.290 362 P C -0.579 176.751 177.300 0.050 0.000 1.283 362 P CA -0.628 62.518 63.100 0.077 0.000 0.869 362 P CB 1.783 33.514 31.700 0.053 0.000 1.100 363 S N 0.033 115.747 115.700 0.024 0.000 2.484 363 S HA 0.361 4.831 4.470 -0.000 0.000 0.256 363 S C 0.740 175.339 174.600 -0.002 0.000 1.223 363 S CA -0.430 57.771 58.200 0.002 0.000 1.002 363 S CB -0.218 62.980 63.200 -0.003 0.000 1.043 363 S HN 0.294 nan 8.310 nan 0.000 0.517 364 L N 0.000 121.216 121.223 -0.012 0.000 2.949 364 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 364 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 364 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 364 L HN 0.000 nan 8.230 nan 0.000 0.502