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 1of6_1_C DATA FIRST_RESID 18 DATA SEQUENCE GAEEDVRILG YDPLASPALL QVQIPATPTS LETAKRGRRE AIDIITGKDD DATA SEQUENCE RVLVIVGPCS IHDLEAAQEY ALRLKKLSDE LKGDLSIIMR AYLEKPRXXV DATA SEQUENCE GWKGLINDPD VNNTFNINKG LQSARQLFVN LTNIGLPIGS EMLDTISPQY DATA SEQUENCE LADLVSFGAI GARTTESQLH RELASGLSFP VGFKNGTDGT LNVAVDACQA DATA SEQUENCE AAHSHHFMGV TKHGVAAITT TKGNEHCFVI LRGGKKGTNY DAKSVAEAKA DATA SEQUENCE QLPAGSNGLM IDYSHGNSNK DFRNQPKVND VVCEQIANGE NAITGVMIES DATA SEQUENCE NINEGNQGIP AEGKAGLKYG VSITDACIGW ETTEDVLRKL AAAVRQRREV DATA SEQUENCE NK 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 18 G HA2 0.000 nan 3.960 nan 0.000 0.244 18 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 18 G C 0.000 174.903 174.900 0.004 0.000 0.946 18 G CA 0.000 45.102 45.100 0.003 0.000 0.502 19 A N -0.411 122.412 122.820 0.005 0.000 2.498 19 A HA 0.549 4.869 4.320 0.000 0.000 0.239 19 A C 0.339 177.928 177.584 0.008 0.000 1.068 19 A CA 0.397 52.438 52.037 0.007 0.000 0.766 19 A CB 0.361 19.366 19.000 0.008 0.000 1.003 19 A HN 0.668 nan 8.150 nan 0.000 0.497 20 E N 1.696 121.901 120.200 0.008 0.000 2.035 20 E HA 0.321 4.671 4.350 0.000 0.000 0.271 20 E C -0.628 175.979 176.600 0.012 0.000 0.953 20 E CA -0.070 56.335 56.400 0.009 0.000 0.777 20 E CB 0.304 30.008 29.700 0.006 0.000 1.104 20 E HN 0.721 nan 8.360 nan 0.000 0.408 21 E N 2.831 123.042 120.200 0.018 0.000 2.369 21 E HA 0.168 4.518 4.350 0.000 0.000 0.270 21 E C -0.844 175.774 176.600 0.030 0.000 0.909 21 E CA -0.833 55.583 56.400 0.026 0.000 0.775 21 E CB 1.411 31.132 29.700 0.035 0.000 1.270 21 E HN 0.415 nan 8.360 nan 0.000 0.445 22 D N 0.265 120.684 120.400 0.031 0.000 3.012 22 D HA -0.166 4.474 4.640 0.000 0.000 0.222 22 D C 0.708 177.004 176.300 -0.006 0.000 1.167 22 D CA 0.822 54.835 54.000 0.021 0.000 0.854 22 D CB -1.438 39.404 40.800 0.070 0.000 1.107 22 D HN 0.264 nan 8.370 nan 0.000 0.421 23 V N -0.362 119.548 119.914 -0.006 0.000 2.913 23 V HA -0.120 4.000 4.120 0.000 0.000 0.260 23 V C 1.567 177.645 176.094 -0.027 0.000 1.098 23 V CA 1.747 64.039 62.300 -0.013 0.000 1.121 23 V CB -0.048 31.771 31.823 -0.008 0.000 0.714 23 V HN 0.286 nan 8.190 nan 0.000 0.487 24 R N -0.043 120.435 120.500 -0.037 0.000 2.586 24 R HA 0.374 4.714 4.340 0.000 0.000 0.336 24 R C -0.667 175.580 176.300 -0.088 0.000 1.060 24 R CA -0.264 55.804 56.100 -0.054 0.000 1.079 24 R CB 0.610 30.884 30.300 -0.044 0.000 1.317 24 R HN 0.303 nan 8.270 nan 0.000 0.568 25 I N 1.979 122.485 120.570 -0.108 0.000 2.390 25 I HA 0.119 4.289 4.170 0.000 0.000 0.283 25 I C 1.272 177.279 176.117 -0.182 0.000 1.016 25 I CA -0.425 60.759 61.300 -0.192 0.000 1.151 25 I CB 1.570 39.413 38.000 -0.262 0.000 1.293 25 I HN 0.105 nan 8.210 nan 0.000 0.458 26 L N 5.262 126.375 121.223 -0.183 0.000 2.141 26 L HA 0.140 4.480 4.340 0.000 0.000 0.209 26 L C 1.114 177.896 176.870 -0.147 0.000 1.094 26 L CA 0.570 55.325 54.840 -0.142 0.000 0.763 26 L CB -0.245 41.737 42.059 -0.128 0.000 0.908 26 L HN 0.771 nan 8.230 nan 0.000 0.437 27 G N -2.172 106.485 108.800 -0.238 0.000 2.368 27 G HA2 0.377 4.337 3.960 0.000 0.000 0.293 27 G HA3 0.377 4.337 3.960 0.000 0.000 0.293 27 G C -2.099 172.612 174.900 -0.315 0.000 1.467 27 G CA -0.685 44.303 45.100 -0.186 0.000 0.804 27 G HN -0.161 nan 8.290 nan 0.000 0.535 28 Y N 1.143 121.428 120.300 -0.025 0.000 2.388 28 Y HA 0.405 4.955 4.550 0.000 0.000 0.328 28 Y C -0.240 175.651 175.900 -0.015 0.000 0.963 28 Y CA -0.872 57.216 58.100 -0.020 0.000 1.240 28 Y CB 1.545 39.998 38.460 -0.011 0.000 1.118 28 Y HN 0.300 nan 8.280 nan 0.000 0.484 29 D N 4.913 125.367 120.400 0.089 0.000 2.264 29 D HA 0.251 4.891 4.640 0.000 0.000 0.249 29 D C -2.068 174.274 176.300 0.070 0.000 1.070 29 D CA -1.259 52.776 54.000 0.059 0.000 0.912 29 D CB 0.883 41.696 40.800 0.020 0.000 1.193 29 D HN 0.308 nan 8.370 nan 0.000 0.427 30 P HA 0.294 nan 4.420 nan 0.000 0.278 30 P C -0.989 176.343 177.300 0.053 0.000 1.238 30 P CA -0.644 62.489 63.100 0.055 0.000 0.794 30 P CB 0.920 32.646 31.700 0.043 0.000 0.955 31 L N 2.024 123.287 121.223 0.067 0.000 2.376 31 L HA 0.607 4.947 4.340 0.000 0.000 0.275 31 L C -0.233 176.706 176.870 0.116 0.000 0.987 31 L CA -0.847 54.043 54.840 0.082 0.000 0.828 31 L CB 1.350 43.467 42.059 0.097 0.000 1.249 31 L HN 0.580 nan 8.230 nan 0.000 0.409 32 A N 3.318 126.210 122.820 0.120 0.000 2.531 32 A HA 0.438 4.758 4.320 0.000 0.000 0.236 32 A C 0.565 178.306 177.584 0.262 0.000 1.062 32 A CA 0.553 52.682 52.037 0.154 0.000 0.760 32 A CB -0.235 18.848 19.000 0.139 0.000 0.995 32 A HN 0.983 nan 8.150 nan 0.000 0.501 33 S N 2.572 118.366 115.700 0.157 0.000 2.603 33 S HA 0.368 4.838 4.470 0.000 0.000 0.268 33 S C -1.863 172.681 174.600 -0.092 0.000 1.317 33 S CA -0.759 57.482 58.200 0.068 0.000 1.012 33 S CB 0.666 63.900 63.200 0.056 0.000 0.926 33 S HN 0.432 nan 8.310 nan 0.000 0.539 34 P HA -0.114 nan 4.420 nan 0.000 0.215 34 P C 1.691 178.852 177.300 -0.232 0.000 1.157 34 P CA 2.215 64.879 63.100 -0.727 0.000 0.874 34 P CB -0.284 31.006 31.700 -0.684 0.000 0.790 35 A N -0.797 121.950 122.820 -0.122 0.000 1.883 35 A HA -0.216 4.105 4.320 0.000 0.000 0.217 35 A C 2.185 179.786 177.584 0.028 0.000 1.186 35 A CA 1.775 53.804 52.037 -0.015 0.000 0.624 35 A CB -1.737 17.323 19.000 0.100 0.000 0.822 35 A HN 0.177 nan 8.150 nan 0.000 0.444 36 L N -0.889 120.362 121.223 0.046 0.000 2.083 36 L HA -0.060 4.280 4.340 0.000 0.000 0.209 36 L C 2.134 179.043 176.870 0.066 0.000 1.083 36 L CA 1.402 56.277 54.840 0.058 0.000 0.752 36 L CB -0.258 41.840 42.059 0.064 0.000 0.899 36 L HN 0.341 nan 8.230 nan 0.000 0.433 37 L N -0.799 120.478 121.223 0.089 0.000 2.217 37 L HA -0.128 4.212 4.340 0.000 0.000 0.211 37 L C 2.317 179.237 176.870 0.083 0.000 1.107 37 L CA 1.410 56.322 54.840 0.119 0.000 0.783 37 L CB -0.638 41.571 42.059 0.250 0.000 0.919 37 L HN 0.515 nan 8.230 nan 0.000 0.442 38 Q N -1.497 118.336 119.800 0.055 0.000 2.369 38 Q HA -0.092 4.248 4.340 0.000 0.000 0.206 38 Q C 2.058 178.083 176.000 0.041 0.000 0.963 38 Q CA 0.657 56.486 55.803 0.045 0.000 0.894 38 Q CB 0.382 29.133 28.738 0.022 0.000 0.965 38 Q HN 0.348 nan 8.270 nan 0.000 0.475 39 V N 0.460 120.397 119.914 0.040 0.000 2.575 39 V HA -0.165 3.955 4.120 0.000 0.000 0.242 39 V C 1.977 178.092 176.094 0.035 0.000 1.045 39 V CA 1.170 63.491 62.300 0.035 0.000 1.065 39 V CB -0.149 31.694 31.823 0.034 0.000 0.717 39 V HN 0.303 nan 8.190 nan 0.000 0.467 40 Q N 0.054 119.878 119.800 0.040 0.000 2.096 40 Q HA -0.042 4.298 4.340 0.000 0.000 0.204 40 Q C 0.581 176.602 176.000 0.036 0.000 0.982 40 Q CA 1.273 57.098 55.803 0.037 0.000 0.850 40 Q CB 0.056 28.818 28.738 0.040 0.000 0.901 40 Q HN 0.508 nan 8.270 nan 0.000 0.422 41 I N 1.972 122.567 120.570 0.042 0.000 2.750 41 I HA 0.256 4.426 4.170 0.000 0.000 0.279 41 I C -2.430 173.715 176.117 0.046 0.000 1.206 41 I CA -2.142 59.183 61.300 0.041 0.000 1.101 41 I CB 1.094 39.118 38.000 0.041 0.000 1.431 41 I HN -0.136 nan 8.210 nan 0.000 0.551 42 P HA 0.162 nan 4.420 nan 0.000 0.275 42 P C -0.202 177.125 177.300 0.044 0.000 1.227 42 P CA -0.141 62.983 63.100 0.039 0.000 0.781 42 P CB 1.094 32.813 31.700 0.032 0.000 0.906 43 A N 2.878 125.726 122.820 0.048 0.000 2.363 43 A HA 0.481 4.801 4.320 0.000 0.000 0.270 43 A C 0.892 178.500 177.584 0.039 0.000 1.121 43 A CA -0.162 51.905 52.037 0.050 0.000 0.800 43 A CB -0.453 18.581 19.000 0.057 0.000 1.052 43 A HN 0.640 nan 8.150 nan 0.000 0.493 44 T N 0.700 115.276 114.554 0.036 0.000 2.766 44 T HA 0.317 4.667 4.350 0.000 0.000 0.295 44 T C -1.777 172.939 174.700 0.027 0.000 1.024 44 T CA -0.927 61.190 62.100 0.029 0.000 1.018 44 T CB 0.185 69.069 68.868 0.026 0.000 1.002 44 T HN 0.338 nan 8.240 nan 0.000 0.532 45 P HA -0.038 nan 4.420 nan 0.000 0.216 45 P C 1.612 178.924 177.300 0.020 0.000 1.150 45 P CA 1.077 64.189 63.100 0.021 0.000 0.837 45 P CB -0.238 31.472 31.700 0.017 0.000 0.786 46 T N -1.247 113.318 114.554 0.019 0.000 2.821 46 T HA -0.079 4.271 4.350 0.000 0.000 0.267 46 T C 1.997 176.708 174.700 0.019 0.000 1.046 46 T CA 1.472 63.582 62.100 0.017 0.000 1.139 46 T CB -0.760 68.117 68.868 0.015 0.000 0.871 46 T HN 0.076 nan 8.240 nan 0.000 0.454 47 S N 1.300 117.014 115.700 0.024 0.000 2.353 47 S HA -0.004 4.466 4.470 0.000 0.000 0.222 47 S C 2.005 176.621 174.600 0.026 0.000 1.035 47 S CA 1.036 59.253 58.200 0.027 0.000 1.025 47 S CB -0.439 62.785 63.200 0.041 0.000 0.902 47 S HN 0.369 nan 8.310 nan 0.000 0.440 48 L N 0.859 122.100 121.223 0.030 0.000 2.056 48 L HA -0.073 4.267 4.340 0.000 0.000 0.207 48 L C 2.657 179.544 176.870 0.028 0.000 1.078 48 L CA 1.225 56.085 54.840 0.032 0.000 0.749 48 L CB -0.519 41.560 42.059 0.034 0.000 0.901 48 L HN 0.248 nan 8.230 nan 0.000 0.433 49 E N 0.233 120.447 120.200 0.023 0.000 2.110 49 E HA -0.168 4.182 4.350 0.000 0.000 0.193 49 E C 2.018 178.627 176.600 0.015 0.000 0.988 49 E CA 1.825 58.236 56.400 0.019 0.000 0.804 49 E CB -0.161 29.548 29.700 0.016 0.000 0.745 49 E HN 0.280 nan 8.360 nan 0.000 0.458 50 T N 0.262 114.823 114.554 0.011 0.000 2.708 50 T HA -0.137 4.213 4.350 0.000 0.000 0.266 50 T C 1.823 176.523 174.700 -0.000 0.000 1.037 50 T CA 1.578 63.680 62.100 0.004 0.000 1.146 50 T CB -0.582 68.287 68.868 0.001 0.000 0.865 50 T HN 0.354 nan 8.240 nan 0.000 0.435 51 A N 2.044 124.865 122.820 0.002 0.000 1.883 51 A HA -0.192 4.128 4.320 0.000 0.000 0.217 51 A C 2.273 179.870 177.584 0.021 0.000 1.186 51 A CA 1.723 53.758 52.037 -0.002 0.000 0.624 51 A CB -0.493 18.512 19.000 0.008 0.000 0.822 51 A HN 0.454 nan 8.150 nan 0.000 0.444 52 K N -0.930 119.489 120.400 0.033 0.000 2.063 52 K HA -0.190 4.130 4.320 0.000 0.000 0.208 52 K C 2.413 179.030 176.600 0.029 0.000 1.048 52 K CA 1.548 57.859 56.287 0.042 0.000 0.928 52 K CB -0.239 32.284 32.500 0.038 0.000 0.713 52 K HN 0.535 nan 8.250 nan 0.000 0.442 53 R N 0.769 121.280 120.500 0.017 0.000 2.073 53 R HA -0.121 4.219 4.340 0.000 0.000 0.234 53 R C 2.359 178.661 176.300 0.004 0.000 1.134 53 R CA 1.787 57.892 56.100 0.008 0.000 0.952 53 R CB -0.562 29.741 30.300 0.005 0.000 0.850 53 R HN 0.274 nan 8.270 nan 0.000 0.433 54 G N 0.507 109.308 108.800 0.003 0.000 2.432 54 G HA2 -0.251 3.709 3.960 0.000 0.000 0.219 54 G HA3 -0.251 3.709 3.960 0.000 0.000 0.219 54 G C 1.410 176.317 174.900 0.013 0.000 1.135 54 G CA 0.595 45.694 45.100 -0.001 0.000 0.767 54 G HN 0.340 nan 8.290 nan 0.000 0.550 55 R N -0.101 120.418 120.500 0.032 0.000 2.066 55 R HA 0.062 4.403 4.340 0.000 0.000 0.232 55 R C 2.805 179.108 176.300 0.005 0.000 1.131 55 R CA 1.018 57.151 56.100 0.054 0.000 0.955 55 R CB -0.284 30.075 30.300 0.099 0.000 0.851 55 R HN 0.249 nan 8.270 nan 0.000 0.432 56 R N 0.816 121.316 120.500 0.000 0.000 2.081 56 R HA -0.137 4.203 4.340 0.000 0.000 0.235 56 R C 2.137 178.413 176.300 -0.040 0.000 1.131 56 R CA 1.507 57.594 56.100 -0.022 0.000 0.960 56 R CB -0.162 30.135 30.300 -0.005 0.000 0.856 56 R HN 0.378 nan 8.270 nan 0.000 0.436 57 E N 0.394 120.576 120.200 -0.030 0.000 2.106 57 E HA -0.142 4.208 4.350 0.000 0.000 0.192 57 E C 2.064 178.627 176.600 -0.061 0.000 0.984 57 E CA 0.999 57.375 56.400 -0.040 0.000 0.806 57 E CB -0.062 29.619 29.700 -0.032 0.000 0.750 57 E HN 0.351 nan 8.360 nan 0.000 0.458 58 A N 1.336 124.123 122.820 -0.055 0.000 1.858 58 A HA -0.185 4.135 4.320 0.000 0.000 0.216 58 A C 2.186 179.703 177.584 -0.112 0.000 1.190 58 A CA 1.144 53.138 52.037 -0.071 0.000 0.617 58 A CB -0.639 18.368 19.000 0.011 0.000 0.827 58 A HN 0.125 nan 8.150 nan 0.000 0.443 59 I N 0.011 120.500 120.570 -0.136 0.000 2.163 59 I HA -0.273 3.897 4.170 0.000 0.000 0.243 59 I C 1.888 177.916 176.117 -0.150 0.000 1.085 59 I CA 1.672 62.822 61.300 -0.250 0.000 1.347 59 I CB -0.477 37.286 38.000 -0.395 0.000 1.044 59 I HN 0.254 nan 8.210 nan 0.000 0.408 60 D N 0.713 121.053 120.400 -0.100 0.000 2.182 60 D HA -0.145 4.495 4.640 0.000 0.000 0.201 60 D C 2.191 178.452 176.300 -0.064 0.000 0.986 60 D CA 1.360 55.322 54.000 -0.063 0.000 0.847 60 D CB -0.148 40.626 40.800 -0.044 0.000 0.942 60 D HN 0.358 nan 8.370 nan 0.000 0.467 61 I N 0.968 121.486 120.570 -0.086 0.000 2.233 61 I HA -0.155 4.015 4.170 0.000 0.000 0.243 61 I C 2.401 178.450 176.117 -0.114 0.000 1.093 61 I CA 0.587 61.830 61.300 -0.095 0.000 1.380 61 I CB -0.134 37.799 38.000 -0.111 0.000 1.067 61 I HN 0.010 nan 8.210 nan 0.000 0.413 62 I N -1.355 119.120 120.570 -0.158 0.000 2.676 62 I HA -0.121 4.050 4.170 0.000 0.000 0.259 62 I C 2.016 178.095 176.117 -0.063 0.000 1.194 62 I CA 1.550 62.742 61.300 -0.179 0.000 1.473 62 I CB -0.726 37.084 38.000 -0.316 0.000 1.096 62 I HN 0.218 nan 8.210 nan 0.000 0.443 63 T N -2.492 112.043 114.554 -0.031 0.000 3.105 63 T HA 0.483 4.834 4.350 0.000 0.000 0.253 63 T C 1.455 176.160 174.700 0.009 0.000 1.047 63 T CA 0.256 62.369 62.100 0.021 0.000 0.944 63 T CB 0.263 69.168 68.868 0.061 0.000 1.016 63 T HN 0.697 nan 8.240 nan 0.000 0.544 64 G N 1.894 110.686 108.800 -0.013 0.000 2.159 64 G HA2 -0.304 3.656 3.960 0.000 0.000 0.256 64 G HA3 -0.304 3.656 3.960 0.000 0.000 0.256 64 G C 0.782 175.678 174.900 -0.007 0.000 0.977 64 G CA 0.409 45.504 45.100 -0.008 0.000 0.652 64 G HN 0.568 nan 8.290 nan 0.000 0.531 65 K N -0.290 120.105 120.400 -0.009 0.000 2.365 65 K HA 0.111 4.432 4.320 0.000 0.000 0.199 65 K C 0.537 177.129 176.600 -0.013 0.000 1.045 65 K CA 1.040 57.322 56.287 -0.007 0.000 0.962 65 K CB 0.149 32.645 32.500 -0.006 0.000 0.759 65 K HN 0.426 nan 8.250 nan 0.000 0.469 66 D N -0.135 120.252 120.400 -0.021 0.000 2.819 66 D HA 0.021 4.661 4.640 0.000 0.000 0.232 66 D C -0.923 175.361 176.300 -0.027 0.000 1.160 66 D CA -0.756 53.230 54.000 -0.024 0.000 0.858 66 D CB 1.550 42.332 40.800 -0.031 0.000 1.610 66 D HN -0.035 nan 8.370 nan 0.000 0.481 67 D N 1.394 121.781 120.400 -0.022 0.000 2.368 67 D HA 0.088 4.728 4.640 0.000 0.000 0.218 67 D C 0.259 176.544 176.300 -0.024 0.000 1.112 67 D CA -0.186 53.801 54.000 -0.020 0.000 0.834 67 D CB 0.076 40.868 40.800 -0.013 0.000 0.953 67 D HN 0.137 nan 8.370 nan 0.000 0.505 68 R N -0.225 120.257 120.500 -0.030 0.000 2.649 68 R HA 0.511 4.851 4.340 0.000 0.000 0.270 68 R C -0.286 175.987 176.300 -0.045 0.000 1.105 68 R CA -0.699 55.381 56.100 -0.034 0.000 1.193 68 R CB 1.060 31.339 30.300 -0.035 0.000 1.120 68 R HN -0.080 nan 8.270 nan 0.000 0.561 69 V N 2.141 122.027 119.914 -0.047 0.000 2.472 69 V HA 0.154 4.275 4.120 0.000 0.000 0.290 69 V C -0.435 175.609 176.094 -0.084 0.000 1.037 69 V CA -0.772 61.492 62.300 -0.061 0.000 0.908 69 V CB 1.587 33.384 31.823 -0.043 0.000 0.985 69 V HN 0.397 nan 8.190 nan 0.000 0.454 70 L N 6.999 128.152 121.223 -0.117 0.000 2.315 70 L HA 0.466 4.806 4.340 0.000 0.000 0.283 70 L C -0.344 176.433 176.870 -0.155 0.000 1.089 70 L CA 0.574 55.326 54.840 -0.146 0.000 0.833 70 L CB 1.024 42.959 42.059 -0.208 0.000 1.170 70 L HN 0.432 nan 8.230 nan 0.000 0.442 71 V N 6.933 126.763 119.914 -0.139 0.000 2.384 71 V HA 0.419 4.539 4.120 0.000 0.000 0.287 71 V C -0.138 175.867 176.094 -0.149 0.000 1.020 71 V CA -0.628 61.584 62.300 -0.147 0.000 0.850 71 V CB 1.555 33.309 31.823 -0.114 0.000 0.987 71 V HN 0.478 nan 8.190 nan 0.000 0.436 72 I N 6.076 126.538 120.570 -0.181 0.000 2.306 72 I HA 0.509 4.680 4.170 0.000 0.000 0.288 72 I C -0.149 175.923 176.117 -0.075 0.000 1.036 72 I CA -0.335 60.880 61.300 -0.143 0.000 1.221 72 I CB 1.104 38.969 38.000 -0.225 0.000 1.385 72 I HN 0.368 nan 8.210 nan 0.000 0.472 73 V N 5.723 125.631 119.914 -0.009 0.000 2.888 73 V HA 1.016 5.136 4.120 0.000 0.000 0.309 73 V C -0.169 175.987 176.094 0.104 0.000 1.114 73 V CA 0.270 62.584 62.300 0.024 0.000 0.940 73 V CB 1.837 33.678 31.823 0.029 0.000 1.021 73 V HN 1.021 nan 8.190 nan 0.000 0.426 74 G N 5.549 114.381 108.800 0.053 0.000 2.356 74 G HA2 0.277 4.238 3.960 0.000 0.000 0.288 74 G HA3 0.277 4.238 3.960 0.000 0.000 0.288 74 G C -3.547 171.232 174.900 -0.200 0.000 1.302 74 G CA -0.451 44.593 45.100 -0.094 0.000 0.887 74 G HN 0.678 nan 8.290 nan 0.000 0.521 75 P HA 0.225 nan 4.420 nan 0.000 0.269 75 P C 1.252 178.469 177.300 -0.138 0.000 1.217 75 P CA -0.006 62.959 63.100 -0.225 0.000 0.783 75 P CB 0.938 32.503 31.700 -0.225 0.000 0.898 76 C N 1.156 120.398 119.300 -0.098 0.000 2.413 76 C HA -0.039 4.421 4.460 0.000 0.000 0.276 76 C C 0.966 175.961 174.990 0.008 0.000 1.248 76 C CA 1.843 60.820 59.018 -0.068 0.000 1.742 76 C CB -1.399 26.330 27.740 -0.018 0.000 2.017 76 C HN 0.761 nan 8.230 nan 0.000 0.481 77 S N -1.242 114.514 115.700 0.093 0.000 2.565 77 S HA 0.633 5.103 4.470 0.000 0.000 0.269 77 S C -1.165 173.565 174.600 0.218 0.000 1.153 77 S CA -0.720 57.620 58.200 0.233 0.000 0.835 77 S CB 0.879 64.309 63.200 0.384 0.000 1.122 77 S HN 0.305 nan 8.310 nan 0.000 0.462 78 I N 3.616 124.342 120.570 0.260 0.000 2.354 78 I HA 0.349 4.519 4.170 0.000 0.000 0.286 78 I C 0.992 177.227 176.117 0.196 0.000 1.007 78 I CA -0.639 60.736 61.300 0.125 0.000 1.167 78 I CB 1.047 39.100 38.000 0.089 0.000 1.320 78 I HN 0.976 nan 8.210 nan 0.000 0.458 79 H N 3.107 122.117 119.070 -0.100 0.000 2.874 79 H HA 0.231 4.787 4.556 0.000 0.000 0.264 79 H C -0.605 174.596 175.328 -0.211 0.000 1.007 79 H CA -0.208 55.636 56.048 -0.340 0.000 1.207 79 H CB 0.903 30.072 29.762 -0.988 0.000 1.487 79 H HN 0.461 nan 8.280 nan 0.000 0.505 80 D N 0.911 120.852 120.400 -0.766 0.000 2.542 80 D HA 0.154 4.794 4.640 0.000 0.000 0.252 80 D C 0.591 176.710 176.300 -0.301 0.000 1.222 80 D CA -0.622 53.062 54.000 -0.528 0.000 0.895 80 D CB 1.612 41.958 40.800 -0.756 0.000 1.207 80 D HN -0.015 nan 8.370 nan 0.000 0.558 81 L N 3.244 124.378 121.223 -0.148 0.000 2.131 81 L HA -0.012 4.328 4.340 0.000 0.000 0.210 81 L C 2.053 178.884 176.870 -0.065 0.000 1.092 81 L CA 1.446 56.241 54.840 -0.075 0.000 0.759 81 L CB -0.313 41.730 42.059 -0.026 0.000 0.903 81 L HN 0.501 nan 8.230 nan 0.000 0.435 82 E N -0.823 119.338 120.200 -0.066 0.000 2.028 82 E HA -0.157 4.193 4.350 0.000 0.000 0.191 82 E C 2.306 178.893 176.600 -0.021 0.000 0.988 82 E CA 1.296 57.695 56.400 -0.002 0.000 0.799 82 E CB -0.289 29.456 29.700 0.074 0.000 0.755 82 E HN 0.422 nan 8.360 nan 0.000 0.447 83 A N 0.973 123.669 122.820 -0.206 0.000 1.873 83 A HA -0.227 4.093 4.320 0.000 0.000 0.218 83 A C 2.420 179.902 177.584 -0.170 0.000 1.193 83 A CA 2.346 54.141 52.037 -0.403 0.000 0.629 83 A CB -1.204 17.330 19.000 -0.777 0.000 0.826 83 A HN 0.347 nan 8.150 nan 0.000 0.447 84 A N -1.388 121.337 122.820 -0.159 0.000 1.948 84 A HA -0.255 4.066 4.320 0.000 0.000 0.220 84 A C 2.140 179.741 177.584 0.029 0.000 1.177 84 A CA 2.313 54.311 52.037 -0.066 0.000 0.636 84 A CB -0.510 18.451 19.000 -0.064 0.000 0.815 84 A HN 0.563 nan 8.150 nan 0.000 0.449 85 Q N -0.378 119.427 119.800 0.008 0.000 2.119 85 Q HA -0.122 4.218 4.340 0.000 0.000 0.201 85 Q C 1.960 177.968 176.000 0.014 0.000 0.972 85 Q CA 1.953 57.769 55.803 0.022 0.000 0.847 85 Q CB -0.256 28.492 28.738 0.017 0.000 0.903 85 Q HN 0.782 nan 8.270 nan 0.000 0.433 86 E N -1.433 118.779 120.200 0.020 0.000 2.107 86 E HA -0.203 4.148 4.350 0.000 0.000 0.191 86 E C 1.608 178.160 176.600 -0.081 0.000 0.982 86 E CA 0.785 57.179 56.400 -0.010 0.000 0.809 86 E CB -0.180 29.561 29.700 0.069 0.000 0.756 86 E HN 0.514 nan 8.360 nan 0.000 0.459 87 Y N 0.652 120.857 120.300 -0.159 0.000 2.181 87 Y HA -0.174 4.376 4.550 0.000 0.000 0.288 87 Y C 2.027 177.813 175.900 -0.190 0.000 1.146 87 Y CA 1.714 59.687 58.100 -0.211 0.000 1.164 87 Y CB -0.359 38.029 38.460 -0.121 0.000 0.982 87 Y HN 0.116 nan 8.280 nan 0.000 0.515 88 A N 0.080 122.952 122.820 0.086 0.000 1.898 88 A HA -0.135 4.185 4.320 0.000 0.000 0.216 88 A C 2.082 179.613 177.584 -0.087 0.000 1.181 88 A CA 1.608 53.674 52.037 0.049 0.000 0.620 88 A CB -0.974 18.069 19.000 0.073 0.000 0.819 88 A HN 0.443 nan 8.150 nan 0.000 0.442 89 L N -0.003 121.154 121.223 -0.111 0.000 2.042 89 L HA -0.153 4.187 4.340 0.000 0.000 0.210 89 L C 2.618 179.370 176.870 -0.197 0.000 1.076 89 L CA 1.823 56.591 54.840 -0.121 0.000 0.749 89 L CB -1.409 40.588 42.059 -0.104 0.000 0.893 89 L HN 0.439 nan 8.230 nan 0.000 0.432 90 R N -0.850 119.417 120.500 -0.389 0.000 2.096 90 R HA -0.178 4.162 4.340 0.000 0.000 0.235 90 R C 2.119 178.222 176.300 -0.329 0.000 1.127 90 R CA 1.026 56.786 56.100 -0.567 0.000 0.968 90 R CB -0.485 28.999 30.300 -1.358 0.000 0.861 90 R HN 0.205 nan 8.270 nan 0.000 0.440 91 L N 1.302 122.340 121.223 -0.307 0.000 2.179 91 L HA -0.070 4.270 4.340 0.000 0.000 0.208 91 L C 2.182 179.077 176.870 0.042 0.000 1.096 91 L CA 1.593 56.449 54.840 0.027 0.000 0.779 91 L CB -0.261 41.805 42.059 0.011 0.000 0.922 91 L HN -0.126 nan 8.230 nan 0.000 0.443 92 K N 0.809 121.201 120.400 -0.014 0.000 1.985 92 K HA -0.261 4.059 4.320 0.000 0.000 0.210 92 K C 2.231 178.837 176.600 0.010 0.000 1.047 92 K CA 2.293 58.580 56.287 -0.000 0.000 0.932 92 K CB -0.440 32.051 32.500 -0.014 0.000 0.716 92 K HN 0.324 nan 8.250 nan 0.000 0.439 93 K N -0.118 120.282 120.400 -0.000 0.000 2.113 93 K HA -0.159 4.161 4.320 0.000 0.000 0.208 93 K C 1.987 178.616 176.600 0.049 0.000 1.047 93 K CA 1.601 57.898 56.287 0.016 0.000 0.928 93 K CB -0.368 32.135 32.500 0.004 0.000 0.716 93 K HN 0.191 nan 8.250 nan 0.000 0.446 94 L N 0.704 121.984 121.223 0.095 0.000 2.156 94 L HA -0.029 4.311 4.340 0.000 0.000 0.208 94 L C 2.280 179.181 176.870 0.052 0.000 1.095 94 L CA 1.975 56.880 54.840 0.108 0.000 0.770 94 L CB -0.746 41.434 42.059 0.202 0.000 0.914 94 L HN 0.362 nan 8.230 nan 0.000 0.439 95 S N -1.001 114.727 115.700 0.047 0.000 2.383 95 S HA -0.166 4.304 4.470 0.000 0.000 0.227 95 S C 1.692 176.299 174.600 0.012 0.000 1.026 95 S CA 1.210 59.424 58.200 0.023 0.000 0.981 95 S CB -0.424 62.790 63.200 0.023 0.000 0.818 95 S HN 0.546 nan 8.310 nan 0.000 0.472 96 D N 1.363 121.771 120.400 0.014 0.000 2.104 96 D HA -0.150 4.490 4.640 0.000 0.000 0.194 96 D C 1.934 178.239 176.300 0.007 0.000 0.994 96 D CA 1.502 55.507 54.000 0.009 0.000 0.830 96 D CB -0.508 40.297 40.800 0.009 0.000 0.959 96 D HN 0.747 nan 8.370 nan 0.000 0.452 97 E N 0.168 120.375 120.200 0.011 0.000 2.208 97 E HA -0.088 4.262 4.350 0.000 0.000 0.193 97 E C 1.620 178.220 176.600 0.000 0.000 0.988 97 E CA 0.430 56.834 56.400 0.007 0.000 0.828 97 E CB 0.088 29.795 29.700 0.012 0.000 0.763 97 E HN 0.260 nan 8.360 nan 0.000 0.478 98 L N 0.866 122.088 121.223 -0.001 0.000 2.693 98 L HA 0.153 4.493 4.340 0.000 0.000 0.235 98 L C 2.094 178.958 176.870 -0.011 0.000 1.127 98 L CA 0.017 54.851 54.840 -0.009 0.000 0.914 98 L CB 0.055 42.105 42.059 -0.016 0.000 1.193 98 L HN 0.056 nan 8.230 nan 0.000 0.502 99 K N 0.808 121.204 120.400 -0.007 0.000 2.160 99 K HA -0.145 4.175 4.320 0.000 0.000 0.206 99 K C 1.923 178.516 176.600 -0.012 0.000 1.047 99 K CA 1.706 57.987 56.287 -0.009 0.000 0.930 99 K CB -0.716 31.781 32.500 -0.006 0.000 0.720 99 K HN 0.167 nan 8.250 nan 0.000 0.450 100 G N 0.895 109.688 108.800 -0.010 0.000 2.462 100 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 100 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 100 G C 0.857 175.749 174.900 -0.014 0.000 1.121 100 G CA 1.222 46.316 45.100 -0.011 0.000 0.758 100 G HN 0.460 nan 8.290 nan 0.000 0.559 101 D N -1.036 119.355 120.400 -0.016 0.000 2.469 101 D HA 0.195 4.835 4.640 0.000 0.000 0.240 101 D C 0.659 176.944 176.300 -0.025 0.000 1.087 101 D CA 0.101 54.090 54.000 -0.019 0.000 0.876 101 D CB 0.883 41.673 40.800 -0.017 0.000 1.160 101 D HN 0.210 nan 8.370 nan 0.000 0.497 102 L N 0.644 121.851 121.223 -0.027 0.000 2.410 102 L HA 0.359 4.700 4.340 0.000 0.000 0.270 102 L C -0.358 176.491 176.870 -0.035 0.000 0.983 102 L CA -0.617 54.201 54.840 -0.036 0.000 0.822 102 L CB 2.689 44.726 42.059 -0.036 0.000 1.285 102 L HN -0.240 nan 8.230 nan 0.000 0.409 103 S N 3.972 119.644 115.700 -0.046 0.000 2.404 103 S HA 0.577 5.048 4.470 0.000 0.000 0.309 103 S C -0.382 174.187 174.600 -0.052 0.000 1.076 103 S CA -0.438 57.735 58.200 -0.045 0.000 1.095 103 S CB 0.002 63.170 63.200 -0.054 0.000 0.972 103 S HN 0.399 nan 8.310 nan 0.000 0.484 104 I N 5.819 126.369 120.570 -0.034 0.000 2.392 104 I HA 0.474 4.644 4.170 0.000 0.000 0.295 104 I C -0.373 175.732 176.117 -0.020 0.000 0.985 104 I CA -0.617 60.667 61.300 -0.026 0.000 1.221 104 I CB 1.488 39.487 38.000 -0.001 0.000 1.366 104 I HN 0.506 nan 8.210 nan 0.000 0.467 105 I N 6.403 126.958 120.570 -0.025 0.000 2.466 105 I HA 0.311 4.481 4.170 0.000 0.000 0.289 105 I C -0.189 175.943 176.117 0.024 0.000 1.026 105 I CA -0.602 60.691 61.300 -0.011 0.000 1.078 105 I CB 2.057 40.035 38.000 -0.037 0.000 1.249 105 I HN 0.560 nan 8.210 nan 0.000 0.429 106 M N 5.931 125.562 119.600 0.051 0.000 2.246 106 M HA 0.224 4.704 4.480 0.000 0.000 0.350 106 M C 0.168 176.525 176.300 0.094 0.000 1.406 106 M CA -0.030 55.328 55.300 0.098 0.000 1.089 106 M CB 0.272 32.941 32.600 0.115 0.000 1.782 106 M HN 0.458 nan 8.290 nan 0.000 0.457 107 R N 4.006 124.579 120.500 0.122 0.000 2.513 107 R HA 0.067 4.407 4.340 0.000 0.000 0.333 107 R C -0.230 176.186 176.300 0.194 0.000 0.925 107 R CA 0.216 56.447 56.100 0.219 0.000 1.072 107 R CB -0.068 30.268 30.300 0.060 0.000 0.914 107 R HN 0.723 nan 8.270 nan 0.000 0.408 108 A N 5.093 128.059 122.820 0.244 0.000 3.215 108 A HA 0.245 4.565 4.320 0.000 0.000 0.320 108 A C -1.016 176.773 177.584 0.341 0.000 1.084 108 A CA -0.578 51.582 52.037 0.205 0.000 0.969 108 A CB 0.196 19.205 19.000 0.015 0.000 1.064 108 A HN 0.548 nan 8.150 nan 0.000 0.513 109 Y N -0.348 120.022 120.300 0.117 0.000 2.316 109 Y HA 0.405 4.956 4.550 0.000 0.000 0.324 109 Y C 1.019 177.004 175.900 0.142 0.000 1.267 109 Y CA -0.699 57.477 58.100 0.127 0.000 1.311 109 Y CB 0.910 39.429 38.460 0.100 0.000 1.267 109 Y HN 0.294 nan 8.280 nan 0.000 0.516 110 L N 0.371 121.737 121.223 0.238 0.000 2.749 110 L HA 0.306 4.647 4.340 0.000 0.000 0.242 110 L C -0.092 176.758 176.870 -0.032 0.000 1.103 110 L CA 0.339 55.244 54.840 0.109 0.000 0.906 110 L CB -0.037 42.030 42.059 0.013 0.000 1.228 110 L HN 0.629 nan 8.230 nan 0.000 0.517 111 E N -0.672 119.543 120.200 0.025 0.000 2.390 111 E HA 0.360 4.710 4.350 0.000 0.000 0.277 111 E C -1.118 175.519 176.600 0.062 0.000 0.939 111 E CA -0.755 55.597 56.400 -0.080 0.000 0.769 111 E CB 2.768 32.404 29.700 -0.107 0.000 1.251 111 E HN -0.125 nan 8.360 nan 0.000 0.450 112 K N 2.284 122.711 120.400 0.045 0.000 2.235 112 K HA 0.406 4.726 4.320 0.000 0.000 0.266 112 K C -2.519 174.102 176.600 0.036 0.000 0.980 112 K CA -1.695 54.642 56.287 0.084 0.000 0.849 112 K CB 0.806 33.379 32.500 0.122 0.000 1.098 112 K HN 0.060 nan 8.250 nan 0.000 0.445 113 P HA -0.086 nan 4.420 nan 0.000 0.257 113 P C -0.385 176.925 177.300 0.018 0.000 1.153 113 P CA 0.489 63.595 63.100 0.011 0.000 0.762 113 P CB 0.152 31.854 31.700 0.003 0.000 0.743 118 G N 2.437 111.265 108.800 0.047 0.000 2.827 118 G HA2 0.497 4.457 3.960 0.000 0.000 0.202 118 G HA3 0.497 4.457 3.960 0.000 0.000 0.202 118 G C -1.313 173.655 174.900 0.113 0.000 1.185 118 G CA -0.319 44.826 45.100 0.074 0.000 0.920 118 G HN 1.639 nan 8.290 nan 0.000 0.550 119 W N 2.397 123.658 121.300 -0.065 0.000 2.435 119 W HA 0.290 4.950 4.660 0.000 0.000 0.337 119 W C 1.158 177.634 176.519 -0.073 0.000 1.300 119 W CA 0.259 57.555 57.345 -0.082 0.000 1.298 119 W CB 0.564 29.975 29.460 -0.082 0.000 1.217 119 W HN 0.376 nan 8.180 nan 0.000 0.565 120 K N 5.267 125.391 120.400 -0.460 0.000 2.458 120 K HA 0.316 4.637 4.320 0.000 0.000 0.194 120 K C 0.862 176.958 176.600 -0.839 0.000 1.024 120 K CA 0.601 56.584 56.287 -0.507 0.000 1.108 120 K CB -0.273 31.991 32.500 -0.394 0.000 0.846 120 K HN 0.760 nan 8.250 nan 0.000 0.518 121 G N 0.870 108.591 108.800 -1.799 0.000 2.592 121 G HA2 -0.227 3.733 3.960 0.000 0.000 0.684 121 G HA3 -0.227 3.733 3.960 0.000 0.000 0.684 121 G C -0.126 173.951 174.900 -1.371 0.000 1.291 121 G CA -0.679 43.247 45.100 -1.957 0.000 0.891 121 G HN 0.076 nan 8.290 nan 0.000 0.544 122 L N 0.269 121.109 121.223 -0.639 0.000 2.313 122 L HA 0.219 4.559 4.340 0.000 0.000 0.214 122 L C 2.625 179.435 176.870 -0.100 0.000 1.119 122 L CA 1.426 56.256 54.840 -0.016 0.000 0.809 122 L CB -0.288 41.875 42.059 0.174 0.000 0.933 122 L HN 0.625 nan 8.230 nan 0.000 0.449 123 I N -0.465 119.991 120.570 -0.189 0.000 2.206 123 I HA -0.162 4.008 4.170 0.000 0.000 0.239 123 I C 2.127 178.167 176.117 -0.129 0.000 1.078 123 I CA 0.972 62.181 61.300 -0.151 0.000 1.367 123 I CB -1.624 36.284 38.000 -0.152 0.000 1.078 123 I HN 0.300 nan 8.210 nan 0.000 0.413 124 N N 0.640 119.233 118.700 -0.179 0.000 2.120 124 N HA -0.159 4.581 4.740 0.000 0.000 0.188 124 N C 0.595 175.966 175.510 -0.231 0.000 1.024 124 N CA 1.351 54.306 53.050 -0.159 0.000 0.852 124 N CB -0.103 38.235 38.487 -0.249 0.000 1.003 124 N HN 0.336 nan 8.380 nan 0.000 0.424 125 D N -0.634 119.616 120.400 -0.249 0.000 2.735 125 D HA 0.176 4.816 4.640 0.000 0.000 0.291 125 D C -2.111 174.290 176.300 0.168 0.000 1.205 125 D CA -1.673 52.258 54.000 -0.115 0.000 0.777 125 D CB 0.881 41.556 40.800 -0.209 0.000 1.234 125 D HN 0.007 nan 8.370 nan 0.000 0.520 126 P HA -0.012 nan 4.420 nan 0.000 0.226 126 P C 0.470 177.861 177.300 0.152 0.000 1.153 126 P CA 0.637 63.837 63.100 0.166 0.000 0.777 126 P CB 0.635 32.375 31.700 0.067 0.000 0.794 127 D N -0.401 120.066 120.400 0.112 0.000 2.350 127 D HA -0.006 4.634 4.640 0.000 0.000 0.213 127 D C 0.804 177.139 176.300 0.058 0.000 1.031 127 D CA 0.028 54.068 54.000 0.066 0.000 0.861 127 D CB -0.029 40.796 40.800 0.042 0.000 0.926 127 D HN -0.110 nan 8.370 nan 0.000 0.520 128 V N 2.724 122.715 119.914 0.128 0.000 5.830 128 V HA -0.301 3.820 4.120 0.000 0.000 0.274 128 V C -0.479 175.625 176.094 0.016 0.000 0.632 128 V CA 1.281 63.625 62.300 0.074 0.000 0.594 128 V CB -1.623 30.044 31.823 -0.260 0.000 0.249 128 V HN 0.472 nan 8.190 nan 0.000 0.697 129 N N 1.350 120.077 118.700 0.044 0.000 2.466 129 N HA 0.191 4.931 4.740 0.000 0.000 0.272 129 N C 0.306 175.823 175.510 0.011 0.000 1.455 129 N CA 0.168 53.228 53.050 0.017 0.000 0.875 129 N CB -0.154 38.341 38.487 0.014 0.000 1.372 129 N HN 0.935 nan 8.380 nan 0.000 0.492 130 N N -0.209 118.496 118.700 0.008 0.000 2.708 130 N HA -0.224 4.516 4.740 0.000 0.000 0.249 130 N C -0.996 174.473 175.510 -0.068 0.000 1.097 130 N CA 1.534 54.556 53.050 -0.048 0.000 0.710 130 N CB -1.362 37.125 38.487 -0.001 0.000 1.032 130 N HN 0.699 nan 8.380 nan 0.000 0.551 131 T N -3.704 110.803 114.554 -0.078 0.000 2.949 131 T HA 0.696 5.047 4.350 0.000 0.000 0.287 131 T C -0.135 174.485 174.700 -0.133 0.000 1.034 131 T CA -0.754 61.342 62.100 -0.006 0.000 1.018 131 T CB 1.100 70.001 68.868 0.055 0.000 1.135 131 T HN 0.080 nan 8.240 nan 0.000 0.532 132 F N 1.377 121.328 119.950 0.002 0.000 2.467 132 F HA 0.583 5.110 4.527 0.000 0.000 0.336 132 F C 0.549 176.341 175.800 -0.013 0.000 1.123 132 F CA -0.856 57.135 58.000 -0.014 0.000 0.964 132 F CB 1.731 40.715 39.000 -0.026 0.000 1.136 132 F HN 0.574 nan 8.300 nan 0.000 0.447 133 N N 4.277 123.063 118.700 0.144 0.000 2.700 133 N HA 0.231 4.972 4.740 0.000 0.000 0.242 133 N C 0.780 176.313 175.510 0.039 0.000 1.541 133 N CA 0.039 53.137 53.050 0.080 0.000 0.764 133 N CB 0.176 38.692 38.487 0.050 0.000 1.319 133 N HN 0.614 nan 8.380 nan 0.000 0.518 134 I N -0.072 120.527 120.570 0.049 0.000 2.315 134 I HA -0.300 3.870 4.170 0.000 0.000 0.251 134 I C 1.789 177.868 176.117 -0.064 0.000 1.125 134 I CA 0.872 62.166 61.300 -0.011 0.000 1.392 134 I CB -0.006 37.992 38.000 -0.003 0.000 1.065 134 I HN 0.407 nan 8.210 nan 0.000 0.424 135 N N 0.864 119.540 118.700 -0.040 0.000 2.142 135 N HA -0.182 4.558 4.740 0.000 0.000 0.186 135 N C 1.864 177.344 175.510 -0.049 0.000 1.023 135 N CA 1.150 54.168 53.050 -0.053 0.000 0.852 135 N CB -0.119 38.361 38.487 -0.012 0.000 0.998 135 N HN 0.378 nan 8.380 nan 0.000 0.424 136 K N 0.608 120.994 120.400 -0.024 0.000 2.148 136 K HA -0.050 4.270 4.320 0.000 0.000 0.204 136 K C 1.958 178.538 176.600 -0.034 0.000 1.050 136 K CA 0.950 57.227 56.287 -0.017 0.000 0.942 136 K CB -0.202 32.299 32.500 0.003 0.000 0.724 136 K HN 0.110 nan 8.250 nan 0.000 0.446 137 G N 1.542 110.314 108.800 -0.046 0.000 2.446 137 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 137 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 137 G C 1.470 176.296 174.900 -0.123 0.000 1.168 137 G CA 0.750 45.808 45.100 -0.071 0.000 0.771 137 G HN 0.191 nan 8.290 nan 0.000 0.551 138 L N -0.311 120.810 121.223 -0.170 0.000 2.027 138 L HA -0.110 4.231 4.340 0.000 0.000 0.206 138 L C 3.161 179.938 176.870 -0.155 0.000 1.074 138 L CA 1.240 55.936 54.840 -0.240 0.000 0.745 138 L CB -0.550 41.258 42.059 -0.418 0.000 0.898 138 L HN 0.275 nan 8.230 nan 0.000 0.433 139 Q N -0.353 119.391 119.800 -0.093 0.000 2.062 139 Q HA -0.252 4.088 4.340 0.000 0.000 0.209 139 Q C 2.370 178.335 176.000 -0.058 0.000 0.996 139 Q CA 2.385 58.160 55.803 -0.047 0.000 0.859 139 Q CB -0.201 28.525 28.738 -0.020 0.000 0.920 139 Q HN 0.447 nan 8.270 nan 0.000 0.415 140 S N 0.320 115.985 115.700 -0.059 0.000 2.383 140 S HA -0.125 4.345 4.470 0.000 0.000 0.227 140 S C 1.973 176.519 174.600 -0.091 0.000 1.026 140 S CA 0.871 59.043 58.200 -0.046 0.000 0.981 140 S CB -0.261 62.929 63.200 -0.016 0.000 0.818 140 S HN 0.498 nan 8.310 nan 0.000 0.472 141 A N 2.061 124.777 122.820 -0.173 0.000 1.873 141 A HA -0.081 4.239 4.320 0.000 0.000 0.215 141 A C 2.101 179.389 177.584 -0.493 0.000 1.186 141 A CA 1.573 53.394 52.037 -0.360 0.000 0.616 141 A CB -0.570 18.164 19.000 -0.443 0.000 0.823 141 A HN 0.429 nan 8.150 nan 0.000 0.442 142 R N -0.869 119.445 120.500 -0.311 0.000 2.081 142 R HA -0.219 4.121 4.340 0.000 0.000 0.235 142 R C 2.390 178.667 176.300 -0.038 0.000 1.131 142 R CA 1.970 57.963 56.100 -0.178 0.000 0.960 142 R CB -0.265 30.005 30.300 -0.051 0.000 0.856 142 R HN 0.528 nan 8.270 nan 0.000 0.436 143 Q N 0.601 120.386 119.800 -0.025 0.000 2.079 143 Q HA -0.148 4.192 4.340 0.000 0.000 0.200 143 Q C 1.955 177.990 176.000 0.058 0.000 0.974 143 Q CA 1.603 57.420 55.803 0.022 0.000 0.840 143 Q CB -0.385 28.360 28.738 0.011 0.000 0.898 143 Q HN 0.395 nan 8.270 nan 0.000 0.430 144 L N -0.439 120.815 121.223 0.052 0.000 1.989 144 L HA -0.146 4.195 4.340 0.000 0.000 0.211 144 L C 1.886 178.920 176.870 0.273 0.000 1.071 144 L CA 1.863 56.780 54.840 0.128 0.000 0.749 144 L CB -0.812 41.322 42.059 0.125 0.000 0.890 144 L HN 0.223 nan 8.230 nan 0.000 0.431 145 F N -0.707 119.251 119.950 0.015 0.000 2.134 145 F HA -0.164 4.363 4.527 0.000 0.000 0.299 145 F C 2.549 178.357 175.800 0.014 0.000 1.097 145 F CA 1.279 59.286 58.000 0.011 0.000 1.264 145 F CB -1.465 37.539 39.000 0.007 0.000 1.001 145 F HN -0.053 nan 8.300 nan 0.000 0.479 146 V N 0.559 120.603 119.914 0.216 0.000 2.255 146 V HA -0.331 3.789 4.120 0.000 0.000 0.247 146 V C 2.243 178.389 176.094 0.087 0.000 1.051 146 V CA 2.102 64.473 62.300 0.119 0.000 1.018 146 V CB -0.756 31.120 31.823 0.088 0.000 0.641 146 V HN 0.267 nan 8.190 nan 0.000 0.445 147 N N 0.132 118.883 118.700 0.086 0.000 2.149 147 N HA -0.134 4.606 4.740 0.000 0.000 0.188 147 N C 1.696 177.238 175.510 0.054 0.000 1.019 147 N CA 1.465 54.551 53.050 0.061 0.000 0.857 147 N CB -0.466 38.055 38.487 0.057 0.000 0.997 147 N HN 0.427 nan 8.380 nan 0.000 0.426 148 L N 0.151 121.414 121.223 0.067 0.000 2.023 148 L HA -0.080 4.260 4.340 0.000 0.000 0.205 148 L C 2.439 179.323 176.870 0.023 0.000 1.073 148 L CA 1.547 56.413 54.840 0.044 0.000 0.745 148 L CB -1.138 40.944 42.059 0.039 0.000 0.900 148 L HN 0.267 nan 8.230 nan 0.000 0.435 149 T N -3.263 111.301 114.554 0.018 0.000 2.881 149 T HA -0.182 4.168 4.350 0.000 0.000 0.270 149 T C 1.553 176.263 174.700 0.017 0.000 1.068 149 T CA 1.526 63.629 62.100 0.006 0.000 1.131 149 T CB -0.604 68.265 68.868 0.001 0.000 0.871 149 T HN 0.206 nan 8.240 nan 0.000 0.479 150 N N 1.624 120.340 118.700 0.027 0.000 2.550 150 N HA 0.050 4.790 4.740 0.000 0.000 0.186 150 N C 1.430 176.949 175.510 0.016 0.000 1.110 150 N CA 0.573 53.638 53.050 0.024 0.000 0.912 150 N CB -0.582 37.922 38.487 0.029 0.000 0.968 150 N HN 0.824 nan 8.380 nan 0.000 0.448 151 I N -4.828 115.750 120.570 0.014 0.000 3.928 151 I HA 0.491 4.661 4.170 0.000 0.000 0.335 151 I C 0.922 177.042 176.117 0.005 0.000 1.325 151 I CA 0.072 61.376 61.300 0.007 0.000 1.107 151 I CB -0.045 37.957 38.000 0.004 0.000 1.014 151 I HN 0.008 nan 8.210 nan 0.000 0.400 152 G N 2.083 110.887 108.800 0.006 0.000 2.132 152 G HA2 -0.241 3.719 3.960 0.000 0.000 0.228 152 G HA3 -0.241 3.719 3.960 0.000 0.000 0.228 152 G C -0.410 174.491 174.900 0.002 0.000 1.000 152 G CA 0.116 45.218 45.100 0.004 0.000 0.693 152 G HN 0.377 nan 8.290 nan 0.000 0.515 153 L N 1.888 123.113 121.223 0.003 0.000 2.262 153 L HA 0.667 5.007 4.340 0.000 0.000 0.288 153 L C -1.916 174.948 176.870 -0.010 0.000 1.035 153 L CA -2.629 52.214 54.840 0.005 0.000 0.820 153 L CB 0.917 42.987 42.059 0.018 0.000 1.204 153 L HN -0.085 nan 8.230 nan 0.000 0.424 154 P HA 0.271 nan 4.420 nan 0.000 0.272 154 P C -0.800 176.466 177.300 -0.057 0.000 1.230 154 P CA -0.034 63.041 63.100 -0.041 0.000 0.788 154 P CB 0.590 32.272 31.700 -0.030 0.000 0.949 155 I N -2.215 118.282 120.570 -0.123 0.000 3.002 155 I HA 0.933 5.103 4.170 0.000 0.000 0.310 155 I C -0.315 175.695 176.117 -0.178 0.000 1.087 155 I CA -1.116 60.080 61.300 -0.174 0.000 1.017 155 I CB 2.503 40.291 38.000 -0.354 0.000 1.226 155 I HN 0.345 nan 8.210 nan 0.000 0.443 156 G N 1.154 109.900 108.800 -0.091 0.000 2.571 156 G HA2 0.668 4.628 3.960 0.000 0.000 0.304 156 G HA3 0.668 4.628 3.960 0.000 0.000 0.304 156 G C -1.638 173.186 174.900 -0.126 0.000 1.314 156 G CA -0.562 44.574 45.100 0.061 0.000 0.975 156 G HN 0.759 nan 8.290 nan 0.000 0.485 157 S N -0.653 114.809 115.700 -0.396 0.000 2.615 157 S HA 0.475 4.945 4.470 0.000 0.000 0.269 157 S C -1.205 172.901 174.600 -0.823 0.000 1.161 157 S CA -0.668 57.114 58.200 -0.697 0.000 0.817 157 S CB 1.864 64.922 63.200 -0.237 0.000 1.131 157 S HN 0.719 nan 8.310 nan 0.000 0.467 158 E N 1.535 121.201 120.200 -0.890 0.000 2.331 158 E HA 0.271 4.621 4.350 0.000 0.000 0.272 158 E C -0.594 175.863 176.600 -0.239 0.000 1.036 158 E CA -0.374 55.735 56.400 -0.484 0.000 0.864 158 E CB 0.498 30.042 29.700 -0.260 0.000 1.035 158 E HN 0.457 nan 8.360 nan 0.000 0.408 159 M N 6.044 125.540 119.600 -0.174 0.000 2.206 159 M HA 0.134 4.614 4.480 0.000 0.000 0.353 159 M C 0.411 176.725 176.300 0.023 0.000 1.242 159 M CA 0.148 55.411 55.300 -0.062 0.000 1.179 159 M CB 0.291 32.853 32.600 -0.063 0.000 1.374 159 M HN 0.693 nan 8.290 nan 0.000 0.427 160 L N 1.354 122.593 121.223 0.027 0.000 2.209 160 L HA -0.035 4.305 4.340 0.000 0.000 0.207 160 L C 0.354 177.318 176.870 0.158 0.000 1.094 160 L CA 0.994 55.878 54.840 0.074 0.000 0.790 160 L CB 0.050 42.117 42.059 0.014 0.000 0.932 160 L HN 0.686 nan 8.230 nan 0.000 0.447 161 D N -4.727 115.691 120.400 0.030 0.000 2.779 161 D HA 0.007 4.647 4.640 0.000 0.000 0.331 161 D C 0.444 176.674 176.300 -0.117 0.000 1.331 161 D CA 0.045 53.992 54.000 -0.087 0.000 0.866 161 D CB 0.563 41.353 40.800 -0.017 0.000 1.409 161 D HN -0.124 nan 8.370 nan 0.000 0.486 162 T N -2.058 112.421 114.554 -0.125 0.000 3.160 162 T HA 0.099 4.449 4.350 0.000 0.000 0.257 162 T C 1.211 175.960 174.700 0.082 0.000 1.147 162 T CA 0.495 62.570 62.100 -0.042 0.000 1.064 162 T CB -0.252 68.632 68.868 0.026 0.000 0.949 162 T HN 0.375 nan 8.240 nan 0.000 0.526 163 I N 2.095 122.714 120.570 0.081 0.000 3.132 163 I HA 0.088 4.258 4.170 0.000 0.000 0.255 163 I C 2.843 179.095 176.117 0.226 0.000 1.118 163 I CA 1.093 62.481 61.300 0.147 0.000 1.463 163 I CB -1.298 36.787 38.000 0.141 0.000 1.356 163 I HN 0.415 nan 8.210 nan 0.000 0.463 164 S N 2.315 118.111 115.700 0.160 0.000 2.383 164 S HA -0.071 4.399 4.470 0.000 0.000 0.229 164 S C -0.454 174.279 174.600 0.222 0.000 1.030 164 S CA 1.069 59.367 58.200 0.164 0.000 1.002 164 S CB -2.023 61.182 63.200 0.008 0.000 0.829 164 S HN 0.203 nan 8.310 nan 0.000 0.467 165 P HA -0.050 nan 4.420 nan 0.000 0.218 165 P C 1.611 179.013 177.300 0.171 0.000 1.149 165 P CA 1.002 64.204 63.100 0.171 0.000 0.817 165 P CB -0.175 31.603 31.700 0.130 0.000 0.785 166 Q N -1.589 118.289 119.800 0.130 0.000 2.234 166 Q HA -0.175 4.165 4.340 0.000 0.000 0.206 166 Q C 1.619 177.590 176.000 -0.048 0.000 0.980 166 Q CA 1.493 57.302 55.803 0.009 0.000 0.869 166 Q CB -0.676 27.995 28.738 -0.111 0.000 0.912 166 Q HN 0.469 nan 8.270 nan 0.000 0.436 167 Y N -1.036 119.283 120.300 0.032 0.000 2.544 167 Y HA 0.016 4.566 4.550 0.000 0.000 0.286 167 Y C 1.794 177.710 175.900 0.027 0.000 1.141 167 Y CA 0.597 58.707 58.100 0.016 0.000 1.299 167 Y CB 0.452 38.902 38.460 -0.017 0.000 1.030 167 Y HN -0.000 nan 8.280 nan 0.000 0.543 168 L N -2.419 118.931 121.223 0.211 0.000 3.174 168 L HA 0.329 4.670 4.340 0.000 0.000 0.283 168 L C 1.967 178.991 176.870 0.256 0.000 1.187 168 L CA 0.339 55.314 54.840 0.224 0.000 1.018 168 L CB 0.118 42.305 42.059 0.213 0.000 1.433 168 L HN -0.003 nan 8.230 nan 0.000 0.593 169 A N 0.773 123.729 122.820 0.227 0.000 2.066 169 A HA -0.158 4.162 4.320 0.000 0.000 0.218 169 A C 1.824 179.554 177.584 0.243 0.000 1.157 169 A CA 1.434 53.653 52.037 0.302 0.000 0.670 169 A CB -0.307 18.875 19.000 0.304 0.000 0.804 169 A HN 0.536 nan 8.150 nan 0.000 0.453 170 D N 0.281 120.778 120.400 0.162 0.000 2.311 170 D HA -0.153 4.487 4.640 0.000 0.000 0.212 170 D C 1.354 177.715 176.300 0.102 0.000 0.972 170 D CA 0.950 55.023 54.000 0.122 0.000 0.887 170 D CB -0.333 40.521 40.800 0.089 0.000 0.915 170 D HN 0.503 nan 8.370 nan 0.000 0.497 171 L N -0.089 121.196 121.223 0.103 0.000 2.731 171 L HA 0.211 4.551 4.340 0.000 0.000 0.240 171 L C 0.196 177.007 176.870 -0.098 0.000 1.120 171 L CA -0.178 54.693 54.840 0.051 0.000 0.913 171 L CB 1.249 43.404 42.059 0.160 0.000 1.213 171 L HN -0.182 nan 8.230 nan 0.000 0.515 172 V N -0.680 119.128 119.914 -0.177 0.000 2.472 172 V HA 0.227 4.347 4.120 0.000 0.000 0.290 172 V C 0.821 176.613 176.094 -0.504 0.000 1.037 172 V CA 0.049 62.066 62.300 -0.473 0.000 0.908 172 V CB 1.865 33.246 31.823 -0.736 0.000 0.985 172 V HN 0.066 nan 8.190 nan 0.000 0.454 173 S N 3.192 118.661 115.700 -0.384 0.000 2.505 173 S HA 0.314 4.785 4.470 0.000 0.000 0.216 173 S C -0.226 174.338 174.600 -0.061 0.000 1.018 173 S CA 0.139 58.248 58.200 -0.152 0.000 0.911 173 S CB 0.222 63.393 63.200 -0.049 0.000 0.818 173 S HN 0.619 nan 8.310 nan 0.000 0.497 174 F N 1.020 120.733 119.950 -0.394 0.000 2.588 174 F HA 0.654 5.181 4.527 0.000 0.000 0.314 174 F C -0.507 175.131 175.800 -0.270 0.000 1.134 174 F CA -0.763 57.137 58.000 -0.167 0.000 0.961 174 F CB 0.849 39.832 39.000 -0.029 0.000 1.239 174 F HN -0.046 nan 8.300 nan 0.000 0.448 175 G N 3.258 111.517 108.800 -0.901 0.000 2.452 175 G HA2 0.734 4.694 3.960 0.000 0.000 0.324 175 G HA3 0.734 4.694 3.960 0.000 0.000 0.324 175 G C -1.777 172.386 174.900 -1.228 0.000 1.214 175 G CA -0.630 43.985 45.100 -0.809 0.000 0.947 175 G HN 1.016 nan 8.290 nan 0.000 0.478 176 A N 2.021 124.329 122.820 -0.854 0.000 2.342 176 A HA 0.734 5.054 4.320 0.000 0.000 0.323 176 A C -0.543 176.812 177.584 -0.381 0.000 1.125 176 A CA -0.615 51.097 52.037 -0.542 0.000 0.785 176 A CB 1.008 19.919 19.000 -0.148 0.000 1.221 176 A HN 0.539 nan 8.150 nan 0.000 0.463 177 I N 2.901 123.229 120.570 -0.404 0.000 2.330 177 I HA 0.320 4.490 4.170 0.000 0.000 0.289 177 I C 1.072 177.113 176.117 -0.127 0.000 1.001 177 I CA -0.060 61.065 61.300 -0.292 0.000 1.193 177 I CB 0.585 38.330 38.000 -0.425 0.000 1.345 177 I HN 0.770 nan 8.210 nan 0.000 0.461 178 G N 3.930 112.675 108.800 -0.092 0.000 2.606 178 G HA2 0.338 4.299 3.960 0.000 0.000 0.252 178 G HA3 0.338 4.299 3.960 0.000 0.000 0.252 178 G C 1.000 175.877 174.900 -0.039 0.000 1.206 178 G CA 0.143 45.212 45.100 -0.052 0.000 0.861 178 G HN 0.750 nan 8.290 nan 0.000 0.561 179 A N 0.444 123.244 122.820 -0.033 0.000 1.986 179 A HA -0.114 4.207 4.320 0.000 0.000 0.220 179 A C 2.356 179.924 177.584 -0.026 0.000 1.171 179 A CA 1.480 53.509 52.037 -0.013 0.000 0.640 179 A CB -0.234 18.757 19.000 -0.015 0.000 0.811 179 A HN 0.649 nan 8.150 nan 0.000 0.451 180 R N -0.997 119.472 120.500 -0.050 0.000 2.275 180 R HA -0.009 4.331 4.340 0.000 0.000 0.199 180 R C 1.280 177.520 176.300 -0.099 0.000 0.989 180 R CA 1.332 57.397 56.100 -0.058 0.000 1.016 180 R CB -0.044 30.223 30.300 -0.054 0.000 0.918 180 R HN 0.708 nan 8.270 nan 0.000 0.473 181 T N -4.571 109.896 114.554 -0.144 0.000 3.040 181 T HA 0.108 4.459 4.350 0.000 0.000 0.266 181 T C 1.460 176.105 174.700 -0.092 0.000 1.005 181 T CA -0.141 61.812 62.100 -0.246 0.000 0.906 181 T CB 0.620 69.083 68.868 -0.675 0.000 1.082 181 T HN -0.163 nan 8.240 nan 0.000 0.531 182 T N 2.820 117.384 114.554 0.018 0.000 2.803 182 T HA -0.096 4.254 4.350 0.000 0.000 0.269 182 T C 1.618 176.330 174.700 0.020 0.000 1.052 182 T CA 1.550 63.726 62.100 0.127 0.000 1.136 182 T CB -0.235 68.701 68.868 0.113 0.000 0.864 182 T HN 0.578 nan 8.240 nan 0.000 0.467 183 E N 0.831 121.025 120.200 -0.010 0.000 2.435 183 E HA 0.068 4.418 4.350 0.000 0.000 0.195 183 E C 0.859 177.454 176.600 -0.008 0.000 1.029 183 E CA -0.161 56.225 56.400 -0.024 0.000 0.865 183 E CB 0.174 29.861 29.700 -0.021 0.000 0.833 183 E HN 0.205 nan 8.360 nan 0.000 0.510 184 S N 1.060 116.771 115.700 0.019 0.000 2.455 184 S HA -0.018 4.452 4.470 0.000 0.000 0.278 184 S C 0.958 175.605 174.600 0.077 0.000 1.216 184 S CA -0.411 57.833 58.200 0.074 0.000 1.055 184 S CB 1.214 64.513 63.200 0.166 0.000 0.939 184 S HN 0.056 nan 8.310 nan 0.000 0.494 185 Q N 4.849 124.659 119.800 0.016 0.000 2.096 185 Q HA -0.167 4.173 4.340 0.000 0.000 0.208 185 Q C 1.833 177.788 176.000 -0.075 0.000 0.993 185 Q CA 2.480 58.256 55.803 -0.046 0.000 0.862 185 Q CB -0.566 28.143 28.738 -0.048 0.000 0.915 185 Q HN 0.904 nan 8.270 nan 0.000 0.416 186 L N -0.652 120.539 121.223 -0.053 0.000 2.081 186 L HA -0.272 4.068 4.340 0.000 0.000 0.212 186 L C 1.623 178.325 176.870 -0.280 0.000 1.080 186 L CA 2.027 56.767 54.840 -0.166 0.000 0.754 186 L CB -0.244 41.713 42.059 -0.169 0.000 0.893 186 L HN 0.422 nan 8.230 nan 0.000 0.433 187 H N -0.682 118.322 119.070 -0.110 0.000 2.502 187 H HA 0.028 4.584 4.556 0.000 0.000 0.283 187 H C 2.305 177.622 175.328 -0.018 0.000 1.015 187 H CA 0.951 56.947 56.048 -0.088 0.000 1.298 187 H CB 0.125 29.873 29.762 -0.024 0.000 1.411 187 H HN 0.292 nan 8.280 nan 0.000 0.556 188 R N 0.568 121.123 120.500 0.092 0.000 2.073 188 R HA -0.081 4.259 4.340 0.000 0.000 0.229 188 R C 1.849 178.115 176.300 -0.056 0.000 1.120 188 R CA 1.385 57.533 56.100 0.079 0.000 0.967 188 R CB 0.004 30.268 30.300 -0.059 0.000 0.862 188 R HN 0.487 nan 8.270 nan 0.000 0.436 189 E N 0.774 120.826 120.200 -0.247 0.000 2.077 189 E HA -0.207 4.143 4.350 0.000 0.000 0.193 189 E C 1.950 178.384 176.600 -0.276 0.000 0.989 189 E CA 0.923 57.163 56.400 -0.267 0.000 0.800 189 E CB -0.148 29.401 29.700 -0.250 0.000 0.746 189 E HN 0.099 nan 8.360 nan 0.000 0.452 190 L N 1.335 122.236 121.223 -0.538 0.000 1.989 190 L HA -0.197 4.143 4.340 0.000 0.000 0.211 190 L C 2.283 179.005 176.870 -0.247 0.000 1.071 190 L CA 2.236 56.675 54.840 -0.668 0.000 0.749 190 L CB -0.683 41.032 42.059 -0.572 0.000 0.890 190 L HN 0.065 nan 8.230 nan 0.000 0.431 191 A N -0.942 121.806 122.820 -0.119 0.000 1.978 191 A HA -0.225 4.096 4.320 0.000 0.000 0.220 191 A C 2.456 180.041 177.584 0.002 0.000 1.170 191 A CA 1.922 53.924 52.037 -0.058 0.000 0.636 191 A CB -1.168 17.869 19.000 0.060 0.000 0.810 191 A HN 0.713 nan 8.150 nan 0.000 0.448 192 S N -1.003 114.746 115.700 0.081 0.000 2.474 192 S HA 0.109 4.579 4.470 0.000 0.000 0.235 192 S C 1.489 176.143 174.600 0.090 0.000 0.997 192 S CA 1.219 59.505 58.200 0.143 0.000 0.949 192 S CB -0.421 62.972 63.200 0.323 0.000 0.766 192 S HN 0.721 nan 8.310 nan 0.000 0.517 193 G N 0.356 109.200 108.800 0.073 0.000 3.324 193 G HA2 0.474 4.434 3.960 0.000 0.000 0.251 193 G HA3 0.474 4.434 3.960 0.000 0.000 0.251 193 G C 0.069 174.931 174.900 -0.064 0.000 1.072 193 G CA -0.482 44.657 45.100 0.066 0.000 0.787 193 G HN 0.419 nan 8.290 nan 0.000 0.537 194 L N 0.488 121.586 121.223 -0.208 0.000 2.379 194 L HA 0.310 4.650 4.340 0.000 0.000 0.269 194 L C 1.113 177.648 176.870 -0.559 0.000 1.084 194 L CA -0.557 53.978 54.840 -0.507 0.000 0.802 194 L CB 1.868 43.448 42.059 -0.799 0.000 1.175 194 L HN -0.069 nan 8.230 nan 0.000 0.448 195 S N 1.453 116.730 115.700 -0.704 0.000 2.710 195 S HA 0.230 4.701 4.470 0.000 0.000 0.224 195 S C -0.500 174.069 174.600 -0.052 0.000 0.948 195 S CA -0.029 58.020 58.200 -0.252 0.000 0.949 195 S CB -0.621 62.566 63.200 -0.021 0.000 0.778 195 S HN 0.432 nan 8.310 nan 0.000 0.498 196 F N -1.851 118.145 119.950 0.077 0.000 2.741 196 F HA 0.644 5.171 4.527 0.000 0.000 0.313 196 F C -3.454 172.424 175.800 0.131 0.000 1.153 196 F CA -3.319 54.738 58.000 0.095 0.000 0.931 196 F CB -0.123 38.908 39.000 0.053 0.000 1.335 196 F HN -0.348 nan 8.300 nan 0.000 0.460 197 P HA 0.299 nan 4.420 nan 0.000 0.268 197 P C -1.033 176.494 177.300 0.379 0.000 1.205 197 P CA -0.206 63.170 63.100 0.460 0.000 0.771 197 P CB 1.103 33.110 31.700 0.512 0.000 0.858 198 V N 2.949 122.978 119.914 0.192 0.000 2.487 198 V HA 0.611 4.731 4.120 0.000 0.000 0.298 198 V C 0.626 176.440 176.094 -0.467 0.000 1.028 198 V CA -0.519 61.661 62.300 -0.201 0.000 0.860 198 V CB 1.776 33.409 31.823 -0.317 0.000 0.991 198 V HN 0.701 nan 8.190 nan 0.000 0.427 199 G N 3.331 111.744 108.800 -0.645 0.000 2.343 199 G HA2 0.643 4.603 3.960 0.000 0.000 0.319 199 G HA3 0.643 4.603 3.960 0.000 0.000 0.319 199 G C -1.176 173.420 174.900 -0.506 0.000 1.126 199 G CA -0.252 44.359 45.100 -0.814 0.000 0.889 199 G HN 0.411 nan 8.290 nan 0.000 0.457 200 F N 1.445 121.253 119.950 -0.236 0.000 2.411 200 F HA 0.397 4.925 4.527 0.000 0.000 0.352 200 F C 0.896 176.664 175.800 -0.053 0.000 1.123 200 F CA -0.604 57.331 58.000 -0.108 0.000 1.044 200 F CB 2.113 41.069 39.000 -0.073 0.000 1.135 200 F HN 0.157 nan 8.300 nan 0.000 0.461 201 K N 3.701 124.188 120.400 0.145 0.000 2.218 201 K HA 0.175 4.495 4.320 0.000 0.000 0.276 201 K C 0.301 176.961 176.600 0.100 0.000 1.022 201 K CA -0.697 55.650 56.287 0.101 0.000 0.946 201 K CB 0.712 33.243 32.500 0.052 0.000 1.000 201 K HN 0.736 nan 8.250 nan 0.000 0.468 202 N N 0.413 119.165 118.700 0.086 0.000 2.297 202 N HA -0.030 4.711 4.740 0.000 0.000 0.232 202 N C 0.262 175.799 175.510 0.045 0.000 1.311 202 N CA -0.405 52.683 53.050 0.064 0.000 0.897 202 N CB 0.322 38.848 38.487 0.064 0.000 1.137 202 N HN 0.510 nan 8.380 nan 0.000 0.449 203 G N -1.193 107.626 108.800 0.031 0.000 2.606 203 G HA2 0.118 4.078 3.960 0.000 0.000 0.252 203 G HA3 0.118 4.078 3.960 0.000 0.000 0.252 203 G C 1.305 176.219 174.900 0.022 0.000 1.206 203 G CA 0.050 45.163 45.100 0.020 0.000 0.861 203 G HN 0.736 nan 8.290 nan 0.000 0.561 204 T N -1.423 113.140 114.554 0.015 0.000 2.897 204 T HA -0.193 4.157 4.350 0.000 0.000 0.271 204 T C 1.564 176.278 174.700 0.023 0.000 1.084 204 T CA 1.648 63.760 62.100 0.019 0.000 1.123 204 T CB -0.159 68.717 68.868 0.013 0.000 0.865 204 T HN 0.608 nan 8.240 nan 0.000 0.496 205 D N 1.400 121.811 120.400 0.019 0.000 2.363 205 D HA 0.149 4.789 4.640 0.000 0.000 0.226 205 D C 1.668 177.981 176.300 0.022 0.000 1.020 205 D CA 0.682 54.693 54.000 0.018 0.000 0.892 205 D CB -0.865 39.942 40.800 0.012 0.000 0.900 205 D HN 0.626 nan 8.370 nan 0.000 0.531 206 G N 0.010 108.827 108.800 0.028 0.000 2.176 206 G HA2 -0.262 3.698 3.960 0.000 0.000 0.253 206 G HA3 -0.262 3.698 3.960 0.000 0.000 0.253 206 G C 0.477 175.395 174.900 0.030 0.000 0.979 206 G CA 0.638 45.758 45.100 0.034 0.000 0.641 206 G HN 0.814 nan 8.290 nan 0.000 0.530 207 T N -2.127 112.442 114.554 0.024 0.000 2.936 207 T HA 0.734 5.084 4.350 0.000 0.000 0.282 207 T C 1.108 175.823 174.700 0.026 0.000 1.003 207 T CA -0.258 61.855 62.100 0.022 0.000 1.005 207 T CB 2.168 71.045 68.868 0.014 0.000 1.097 207 T HN 0.473 nan 8.240 nan 0.000 0.532 208 L N 0.475 121.713 121.223 0.025 0.000 2.701 208 L HA 0.234 4.574 4.340 0.000 0.000 0.238 208 L C 1.478 178.358 176.870 0.017 0.000 1.106 208 L CA 0.194 55.053 54.840 0.031 0.000 0.898 208 L CB -0.285 41.798 42.059 0.039 0.000 1.188 208 L HN 0.615 nan 8.230 nan 0.000 0.508 209 N N 0.665 119.370 118.700 0.008 0.000 2.061 209 N HA -0.209 4.531 4.740 0.000 0.000 0.193 209 N C 1.910 177.408 175.510 -0.021 0.000 1.030 209 N CA 2.057 55.105 53.050 -0.003 0.000 0.856 209 N CB -0.624 37.862 38.487 -0.003 0.000 1.023 209 N HN 0.379 nan 8.380 nan 0.000 0.424 210 V N -1.742 118.159 119.914 -0.022 0.000 2.407 210 V HA -0.063 4.057 4.120 0.000 0.000 0.248 210 V C 2.084 178.127 176.094 -0.086 0.000 1.055 210 V CA 1.813 64.086 62.300 -0.046 0.000 1.049 210 V CB -1.232 30.575 31.823 -0.027 0.000 0.662 210 V HN 0.281 nan 8.190 nan 0.000 0.455 211 A N 0.251 123.040 122.820 -0.051 0.000 1.929 211 A HA 0.002 4.322 4.320 0.000 0.000 0.216 211 A C 2.356 179.878 177.584 -0.103 0.000 1.176 211 A CA 1.839 53.837 52.037 -0.064 0.000 0.628 211 A CB -0.745 18.283 19.000 0.046 0.000 0.816 211 A HN 0.450 nan 8.150 nan 0.000 0.444 212 V N 0.923 120.810 119.914 -0.044 0.000 2.295 212 V HA -0.249 3.871 4.120 0.000 0.000 0.246 212 V C 2.093 178.141 176.094 -0.078 0.000 1.049 212 V CA 2.272 64.553 62.300 -0.032 0.000 1.024 212 V CB -0.838 30.985 31.823 0.001 0.000 0.648 212 V HN 0.500 nan 8.190 nan 0.000 0.447 213 D N 0.405 120.751 120.400 -0.091 0.000 2.182 213 D HA -0.134 4.506 4.640 0.000 0.000 0.201 213 D C 2.151 178.339 176.300 -0.187 0.000 0.986 213 D CA 1.621 55.562 54.000 -0.098 0.000 0.847 213 D CB -0.212 40.538 40.800 -0.083 0.000 0.942 213 D HN 0.483 nan 8.370 nan 0.000 0.467 214 A N 0.437 123.037 122.820 -0.365 0.000 1.872 214 A HA -0.133 4.187 4.320 0.000 0.000 0.214 214 A C 2.563 179.715 177.584 -0.720 0.000 1.187 214 A CA 1.025 52.627 52.037 -0.725 0.000 0.614 214 A CB -0.964 17.220 19.000 -1.359 0.000 0.826 214 A HN 0.321 nan 8.150 nan 0.000 0.442 215 C N -0.492 118.481 119.300 -0.545 0.000 2.385 215 C HA -0.183 4.277 4.460 0.000 0.000 0.275 215 C C 2.950 177.932 174.990 -0.013 0.000 1.207 215 C CA 1.395 60.347 59.018 -0.111 0.000 1.760 215 C CB -1.249 26.505 27.740 0.023 0.000 2.051 215 C HN 0.606 nan 8.230 nan 0.000 0.467 216 Q N 0.158 119.945 119.800 -0.021 0.000 2.119 216 Q HA -0.098 4.243 4.340 0.000 0.000 0.201 216 Q C 2.506 178.599 176.000 0.155 0.000 0.972 216 Q CA 1.777 57.616 55.803 0.059 0.000 0.847 216 Q CB -0.569 28.201 28.738 0.054 0.000 0.903 216 Q HN 0.770 nan 8.270 nan 0.000 0.433 217 A N 1.028 123.905 122.820 0.094 0.000 1.929 217 A HA 0.015 4.335 4.320 0.000 0.000 0.216 217 A C 2.270 180.055 177.584 0.335 0.000 1.176 217 A CA 1.495 53.649 52.037 0.195 0.000 0.628 217 A CB -0.460 18.561 19.000 0.035 0.000 0.816 217 A HN 0.344 nan 8.150 nan 0.000 0.444 218 A N -0.348 122.585 122.820 0.190 0.000 2.066 218 A HA 0.316 4.636 4.320 0.000 0.000 0.218 218 A C 2.261 179.965 177.584 0.200 0.000 1.157 218 A CA 1.433 53.615 52.037 0.242 0.000 0.670 218 A CB -0.668 18.500 19.000 0.280 0.000 0.804 218 A HN 0.962 nan 8.150 nan 0.000 0.453 219 A N -0.870 122.031 122.820 0.135 0.000 2.121 219 A HA 0.069 4.390 4.320 0.000 0.000 0.218 219 A C 0.850 178.384 177.584 -0.085 0.000 1.154 219 A CA 0.651 52.688 52.037 0.000 0.000 0.679 219 A CB -0.460 18.501 19.000 -0.065 0.000 0.795 219 A HN 0.648 nan 8.150 nan 0.000 0.458 220 H N -0.982 118.093 119.070 0.009 0.000 2.496 220 H HA 0.450 5.006 4.556 0.000 0.000 0.342 220 H C 0.530 175.723 175.328 -0.226 0.000 1.170 220 H CA 0.258 56.232 56.048 -0.123 0.000 1.274 220 H CB 1.071 30.712 29.762 -0.201 0.000 1.538 220 H HN 0.166 nan 8.280 nan 0.000 0.542 221 S N 1.915 117.564 115.700 -0.086 0.000 2.533 221 S HA 0.093 4.563 4.470 0.000 0.000 0.282 221 S C -0.652 173.774 174.600 -0.290 0.000 1.304 221 S CA -0.317 57.825 58.200 -0.096 0.000 1.063 221 S CB -0.050 63.142 63.200 -0.013 0.000 0.881 221 S HN 0.564 nan 8.310 nan 0.000 0.493 222 H N 2.231 121.412 119.070 0.185 0.000 2.907 222 H HA 0.413 4.969 4.556 0.000 0.000 0.361 222 H C -0.836 174.661 175.328 0.282 0.000 1.194 222 H CA -0.649 55.541 56.048 0.237 0.000 1.152 222 H CB 1.472 31.361 29.762 0.211 0.000 1.867 222 H HN 0.745 nan 8.280 nan 0.000 0.561 223 H N 1.398 120.606 119.070 0.230 0.000 2.708 223 H HA 0.200 4.756 4.556 0.000 0.000 0.320 223 H C -0.805 174.613 175.328 0.151 0.000 0.991 223 H CA -0.448 55.659 56.048 0.098 0.000 1.243 223 H CB 1.085 30.872 29.762 0.041 0.000 1.446 223 H HN 0.335 nan 8.280 nan 0.000 0.502 224 F N 0.334 120.340 119.950 0.094 0.000 2.579 224 F HA 0.542 5.069 4.527 0.000 0.000 0.324 224 F C -0.526 175.283 175.800 0.015 0.000 1.058 224 F CA -1.562 56.463 58.000 0.041 0.000 0.944 224 F CB 1.224 40.224 39.000 0.000 0.000 1.245 224 F HN 0.195 nan 8.300 nan 0.000 0.477 225 M N 3.066 122.784 119.600 0.197 0.000 2.319 225 M HA 0.348 4.829 4.480 0.000 0.000 0.343 225 M C 0.343 176.755 176.300 0.188 0.000 1.364 225 M CA 0.031 55.384 55.300 0.089 0.000 1.292 225 M CB 0.096 32.742 32.600 0.077 0.000 1.432 225 M HN 0.990 nan 8.290 nan 0.000 0.448 226 G N 2.019 110.828 108.800 0.015 0.000 2.828 226 G HA2 0.757 4.717 3.960 0.000 0.000 0.244 226 G HA3 0.757 4.717 3.960 0.000 0.000 0.244 226 G C -0.717 174.196 174.900 0.021 0.000 1.365 226 G CA -0.573 44.593 45.100 0.109 0.000 1.041 226 G HN 0.542 nan 8.290 nan 0.000 0.560 227 V N -2.036 117.892 119.914 0.024 0.000 2.769 227 V HA 0.791 4.911 4.120 0.000 0.000 0.312 227 V C 0.517 176.576 176.094 -0.060 0.000 1.061 227 V CA -0.221 62.072 62.300 -0.012 0.000 0.931 227 V CB 0.941 32.769 31.823 0.008 0.000 1.010 227 V HN 1.105 nan 8.190 nan 0.000 0.433 228 T N 0.110 114.619 114.554 -0.076 0.000 2.732 228 T HA 0.348 4.698 4.350 0.000 0.000 0.287 228 T C 0.877 175.484 174.700 -0.155 0.000 0.993 228 T CA -0.393 61.636 62.100 -0.119 0.000 0.966 228 T CB 0.629 69.429 68.868 -0.113 0.000 1.047 228 T HN 0.652 nan 8.240 nan 0.000 0.527 229 K N -0.067 120.191 120.400 -0.236 0.000 2.283 229 K HA -0.050 4.270 4.320 0.000 0.000 0.202 229 K C 1.616 178.092 176.600 -0.208 0.000 1.048 229 K CA 1.326 57.448 56.287 -0.274 0.000 0.948 229 K CB -0.443 31.863 32.500 -0.324 0.000 0.742 229 K HN 0.757 nan 8.250 nan 0.000 0.458 230 H N -1.082 117.945 119.070 -0.071 0.000 2.517 230 H HA 0.178 4.734 4.556 0.000 0.000 0.282 230 H C 0.668 175.971 175.328 -0.042 0.000 1.023 230 H CA 0.092 56.109 56.048 -0.052 0.000 1.169 230 H CB 0.573 30.313 29.762 -0.037 0.000 1.454 230 H HN 0.332 nan 8.280 nan 0.000 0.556 231 G N 1.028 109.847 108.800 0.032 0.000 2.140 231 G HA2 -0.249 3.711 3.960 0.000 0.000 0.211 231 G HA3 -0.249 3.711 3.960 0.000 0.000 0.211 231 G C -0.310 174.610 174.900 0.033 0.000 1.013 231 G CA 0.178 45.294 45.100 0.027 0.000 0.705 231 G HN 0.306 nan 8.290 nan 0.000 0.508 232 V N 0.470 120.395 119.914 0.019 0.000 2.555 232 V HA 0.839 4.959 4.120 0.000 0.000 0.302 232 V C 0.830 176.922 176.094 -0.003 0.000 1.038 232 V CA -0.063 62.244 62.300 0.011 0.000 0.887 232 V CB 1.625 33.456 31.823 0.014 0.000 0.991 232 V HN 1.559 nan 8.190 nan 0.000 0.434 233 A N 5.130 127.949 122.820 -0.001 0.000 2.540 233 A HA 0.697 5.017 4.320 0.000 0.000 0.239 233 A C 0.290 177.859 177.584 -0.026 0.000 1.061 233 A CA 0.702 52.735 52.037 -0.007 0.000 0.758 233 A CB 0.008 19.010 19.000 0.004 0.000 0.991 233 A HN 1.953 nan 8.150 nan 0.000 0.502 234 A N 2.247 125.037 122.820 -0.049 0.000 2.594 234 A HA 0.634 4.954 4.320 0.000 0.000 0.295 234 A C -0.570 176.947 177.584 -0.111 0.000 1.071 234 A CA -0.671 51.322 52.037 -0.074 0.000 0.685 234 A CB 0.683 19.629 19.000 -0.090 0.000 1.285 234 A HN 0.779 nan 8.150 nan 0.000 0.405 235 I N 1.991 122.500 120.570 -0.102 0.000 2.421 235 I HA 0.217 4.387 4.170 0.000 0.000 0.291 235 I C -0.006 175.966 176.117 -0.242 0.000 1.089 235 I CA 0.541 61.766 61.300 -0.125 0.000 1.354 235 I CB 0.856 38.835 38.000 -0.035 0.000 1.413 235 I HN 0.519 nan 8.210 nan 0.000 0.513 236 T N 4.592 118.894 114.554 -0.420 0.000 2.756 236 T HA 0.300 4.650 4.350 0.000 0.000 0.290 236 T C 0.108 174.462 174.700 -0.577 0.000 0.985 236 T CA -0.532 61.217 62.100 -0.585 0.000 0.955 236 T CB 0.928 69.177 68.868 -1.032 0.000 0.930 236 T HN 0.460 nan 8.240 nan 0.000 0.451 237 T N 3.611 117.889 114.554 -0.460 0.000 2.795 237 T HA 0.589 4.939 4.350 0.000 0.000 0.282 237 T C 0.672 175.240 174.700 -0.221 0.000 0.980 237 T CA -0.758 61.058 62.100 -0.474 0.000 1.012 237 T CB 1.049 69.593 68.868 -0.541 0.000 0.936 237 T HN 0.740 nan 8.240 nan 0.000 0.457 238 T N -0.632 113.870 114.554 -0.086 0.000 2.950 238 T HA 0.479 4.829 4.350 0.000 0.000 0.288 238 T C 1.005 175.706 174.700 0.002 0.000 1.035 238 T CA -1.011 61.097 62.100 0.013 0.000 1.028 238 T CB 1.704 70.666 68.868 0.157 0.000 1.109 238 T HN 0.568 nan 8.240 nan 0.000 0.514 239 K N 0.328 120.729 120.400 0.001 0.000 2.356 239 K HA 0.483 4.803 4.320 0.000 0.000 0.195 239 K C 0.904 177.497 176.600 -0.012 0.000 1.037 239 K CA 0.357 56.636 56.287 -0.013 0.000 1.014 239 K CB -0.386 32.100 32.500 -0.024 0.000 0.815 239 K HN 1.343 nan 8.250 nan 0.000 0.507 240 G N 0.924 109.734 108.800 0.016 0.000 2.712 240 G HA2 -0.170 3.790 3.960 0.000 0.000 0.686 240 G HA3 -0.170 3.790 3.960 0.000 0.000 0.686 240 G C -1.781 173.110 174.900 -0.015 0.000 1.181 240 G CA -0.444 44.664 45.100 0.015 0.000 0.762 240 G HN 0.353 nan 8.290 nan 0.000 0.641 241 N N 0.879 119.581 118.700 0.004 0.000 2.443 241 N HA 0.367 5.107 4.740 0.000 0.000 0.269 241 N C 1.135 176.618 175.510 -0.044 0.000 0.985 241 N CA -0.288 52.748 53.050 -0.022 0.000 0.921 241 N CB 1.402 39.906 38.487 0.028 0.000 1.195 241 N HN 0.722 nan 8.380 nan 0.000 0.492 242 E N 2.702 122.783 120.200 -0.198 0.000 2.479 242 E HA -0.025 4.325 4.350 0.000 0.000 0.193 242 E C -0.407 176.140 176.600 -0.089 0.000 1.049 242 E CA 0.464 56.753 56.400 -0.186 0.000 0.870 242 E CB -0.351 29.198 29.700 -0.253 0.000 0.944 242 E HN 0.668 nan 8.360 nan 0.000 0.492 243 H N -0.033 119.118 119.070 0.135 0.000 2.524 243 H HA 0.316 4.872 4.556 0.000 0.000 0.297 243 H C -0.483 175.030 175.328 0.309 0.000 1.115 243 H CA -0.804 55.363 56.048 0.197 0.000 1.027 243 H CB 0.168 30.035 29.762 0.175 0.000 1.591 243 H HN 0.076 nan 8.280 nan 0.000 0.543 244 C N 1.821 121.344 119.300 0.373 0.000 2.365 244 C HA 0.484 4.944 4.460 0.000 0.000 0.351 244 C C -0.059 175.206 174.990 0.459 0.000 1.240 244 C CA -0.649 58.592 59.018 0.373 0.000 2.062 244 C CB -0.845 27.115 27.740 0.367 0.000 2.387 244 C HN 0.564 nan 8.230 nan 0.000 0.537 245 F N 0.378 120.500 119.950 0.287 0.000 2.692 245 F HA 0.835 5.362 4.527 0.000 0.000 0.320 245 F C -0.941 175.020 175.800 0.268 0.000 1.123 245 F CA -1.435 56.707 58.000 0.236 0.000 0.961 245 F CB 0.298 39.410 39.000 0.186 0.000 1.383 245 F HN 0.210 nan 8.300 nan 0.000 0.483 246 V N 2.435 122.555 119.914 0.344 0.000 2.481 246 V HA 0.428 4.548 4.120 0.000 0.000 0.286 246 V C -0.062 176.190 176.094 0.265 0.000 1.042 246 V CA -0.606 61.831 62.300 0.229 0.000 0.928 246 V CB 1.432 33.369 31.823 0.190 0.000 0.986 246 V HN 0.600 nan 8.190 nan 0.000 0.462 247 I N 5.550 126.228 120.570 0.179 0.000 2.354 247 I HA 0.403 4.573 4.170 0.000 0.000 0.292 247 I C -0.507 175.707 176.117 0.161 0.000 0.989 247 I CA -0.410 61.006 61.300 0.193 0.000 1.188 247 I CB 1.541 39.641 38.000 0.166 0.000 1.342 247 I HN 0.329 nan 8.210 nan 0.000 0.457 248 L N 7.216 128.541 121.223 0.170 0.000 2.264 248 L HA 0.432 4.772 4.340 0.000 0.000 0.289 248 L C 0.284 177.256 176.870 0.170 0.000 1.044 248 L CA -0.424 54.509 54.840 0.154 0.000 0.807 248 L CB 0.718 42.870 42.059 0.155 0.000 1.192 248 L HN 0.689 nan 8.230 nan 0.000 0.425 249 R N 1.478 122.068 120.500 0.150 0.000 2.582 249 R HA 0.479 4.819 4.340 0.000 0.000 0.453 249 R C 0.197 176.590 176.300 0.154 0.000 0.969 249 R CA -0.098 56.101 56.100 0.165 0.000 1.113 249 R CB 0.046 30.427 30.300 0.134 0.000 1.507 249 R HN 0.625 nan 8.270 nan 0.000 0.587 250 G N -0.703 108.181 108.800 0.141 0.000 2.698 250 G HA2 0.231 4.191 3.960 0.000 0.000 0.233 250 G HA3 0.231 4.191 3.960 0.000 0.000 0.233 250 G C 0.228 175.179 174.900 0.084 0.000 1.352 250 G CA -0.069 45.100 45.100 0.116 0.000 0.879 250 G HN 1.253 nan 8.290 nan 0.000 0.567 251 G N -2.429 106.413 108.800 0.070 0.000 2.373 251 G HA2 0.502 4.462 3.960 0.000 0.000 0.250 251 G HA3 0.502 4.462 3.960 0.000 0.000 0.250 251 G C 0.573 175.498 174.900 0.042 0.000 1.304 251 G CA 0.663 45.795 45.100 0.054 0.000 0.948 251 G HN 0.976 nan 8.290 nan 0.000 0.474 252 K N 0.267 120.686 120.400 0.032 0.000 2.097 252 K HA -0.031 4.289 4.320 0.000 0.000 0.206 252 K C 2.287 178.898 176.600 0.018 0.000 1.049 252 K CA 1.706 58.008 56.287 0.024 0.000 0.933 252 K CB -0.361 32.150 32.500 0.019 0.000 0.717 252 K HN 0.506 nan 8.250 nan 0.000 0.442 253 K N 0.022 120.431 120.400 0.016 0.000 2.442 253 K HA -0.076 4.244 4.320 0.000 0.000 0.198 253 K C 0.321 176.924 176.600 0.004 0.000 1.042 253 K CA 0.970 57.262 56.287 0.009 0.000 0.958 253 K CB 0.114 32.619 32.500 0.008 0.000 0.766 253 K HN 0.237 nan 8.250 nan 0.000 0.474 254 G N -0.481 108.326 108.800 0.012 0.000 2.354 254 G HA2 -0.154 3.806 3.960 0.000 0.000 0.582 254 G HA3 -0.154 3.806 3.960 0.000 0.000 0.582 254 G C -0.617 174.290 174.900 0.012 0.000 1.316 254 G CA -0.560 44.543 45.100 0.006 0.000 0.995 254 G HN 0.256 nan 8.290 nan 0.000 0.573 255 T N -1.413 113.144 114.554 0.005 0.000 2.855 255 T HA 0.390 4.740 4.350 0.000 0.000 0.322 255 T C 0.799 175.455 174.700 -0.074 0.000 1.088 255 T CA 0.836 62.945 62.100 0.016 0.000 1.104 255 T CB 0.935 69.801 68.868 -0.004 0.000 0.996 255 T HN 1.953 nan 8.240 nan 0.000 0.549 256 N N -0.134 118.554 118.700 -0.020 0.000 2.547 256 N HA 0.070 4.810 4.740 0.000 0.000 0.285 256 N C -0.080 175.444 175.510 0.024 0.000 1.600 256 N CA -0.809 52.219 53.050 -0.036 0.000 0.872 256 N CB -0.638 37.864 38.487 0.024 0.000 1.412 256 N HN 0.868 nan 8.380 nan 0.000 0.489 257 Y N -1.055 119.265 120.300 0.033 0.000 2.462 257 Y HA 0.372 4.922 4.550 0.000 0.000 0.261 257 Y C -0.025 175.882 175.900 0.012 0.000 1.146 257 Y CA -1.052 57.067 58.100 0.031 0.000 1.283 257 Y CB -0.149 38.317 38.460 0.009 0.000 1.090 257 Y HN 0.013 nan 8.280 nan 0.000 0.526 258 D N 0.840 121.103 120.400 -0.227 0.000 2.423 258 D HA 0.255 4.895 4.640 0.000 0.000 0.255 258 D C 1.093 177.365 176.300 -0.047 0.000 1.174 258 D CA 0.148 54.062 54.000 -0.143 0.000 1.008 258 D CB 1.856 42.495 40.800 -0.268 0.000 1.101 258 D HN 0.194 nan 8.370 nan 0.000 0.516 259 A N 0.324 123.130 122.820 -0.023 0.000 1.969 259 A HA -0.177 4.143 4.320 0.000 0.000 0.218 259 A C 2.108 179.684 177.584 -0.012 0.000 1.169 259 A CA 1.709 53.744 52.037 -0.004 0.000 0.635 259 A CB -0.596 18.405 19.000 0.002 0.000 0.810 259 A HN 0.671 nan 8.150 nan 0.000 0.445 260 K N -0.213 120.168 120.400 -0.031 0.000 2.097 260 K HA -0.055 4.265 4.320 0.000 0.000 0.205 260 K C 2.087 178.674 176.600 -0.022 0.000 1.050 260 K CA 1.630 57.901 56.287 -0.026 0.000 0.938 260 K CB -0.169 32.310 32.500 -0.036 0.000 0.718 260 K HN 0.362 nan 8.250 nan 0.000 0.442 261 S N -0.139 115.539 115.700 -0.037 0.000 2.387 261 S HA -0.064 4.407 4.470 0.000 0.000 0.226 261 S C 1.822 176.426 174.600 0.006 0.000 1.026 261 S CA 1.017 59.202 58.200 -0.025 0.000 0.972 261 S CB -0.014 63.152 63.200 -0.056 0.000 0.814 261 S HN 0.114 nan 8.310 nan 0.000 0.477 262 V N 2.098 122.020 119.914 0.014 0.000 2.295 262 V HA -0.182 3.938 4.120 0.000 0.000 0.246 262 V C 2.649 178.761 176.094 0.030 0.000 1.049 262 V CA 1.736 64.057 62.300 0.036 0.000 1.024 262 V CB -1.157 30.694 31.823 0.046 0.000 0.648 262 V HN 0.526 nan 8.190 nan 0.000 0.447 263 A N 0.873 123.704 122.820 0.019 0.000 1.902 263 A HA -0.255 4.065 4.320 0.000 0.000 0.217 263 A C 2.197 179.792 177.584 0.017 0.000 1.181 263 A CA 1.896 53.944 52.037 0.017 0.000 0.623 263 A CB -0.496 18.511 19.000 0.010 0.000 0.818 263 A HN 0.786 nan 8.150 nan 0.000 0.443 264 E N 0.066 120.274 120.200 0.013 0.000 2.150 264 E HA -0.019 4.331 4.350 0.000 0.000 0.193 264 E C 2.034 178.648 176.600 0.023 0.000 0.985 264 E CA 0.951 57.360 56.400 0.014 0.000 0.814 264 E CB -0.492 29.213 29.700 0.008 0.000 0.752 264 E HN 0.487 nan 8.360 nan 0.000 0.466 265 A N 2.285 125.124 122.820 0.031 0.000 1.865 265 A HA -0.238 4.082 4.320 0.000 0.000 0.217 265 A C 2.138 179.749 177.584 0.045 0.000 1.191 265 A CA 1.978 54.041 52.037 0.044 0.000 0.623 265 A CB -0.462 18.574 19.000 0.060 0.000 0.826 265 A HN 0.164 nan 8.150 nan 0.000 0.444 266 K N -0.342 120.083 120.400 0.042 0.000 2.097 266 K HA -0.038 4.282 4.320 0.000 0.000 0.206 266 K C 2.116 178.736 176.600 0.034 0.000 1.049 266 K CA 1.108 57.419 56.287 0.041 0.000 0.933 266 K CB -0.302 32.220 32.500 0.036 0.000 0.717 266 K HN 0.456 nan 8.250 nan 0.000 0.442 267 A N 1.069 123.906 122.820 0.027 0.000 2.066 267 A HA -0.141 4.179 4.320 0.000 0.000 0.218 267 A C 1.821 179.419 177.584 0.023 0.000 1.157 267 A CA 1.011 53.061 52.037 0.022 0.000 0.670 267 A CB -0.165 18.845 19.000 0.017 0.000 0.804 267 A HN 0.275 nan 8.150 nan 0.000 0.453 268 Q N -0.633 119.182 119.800 0.026 0.000 2.389 268 Q HA 0.166 4.506 4.340 0.000 0.000 0.204 268 Q C -0.164 175.854 176.000 0.031 0.000 0.944 268 Q CA -0.016 55.803 55.803 0.026 0.000 0.908 268 Q CB -0.058 28.696 28.738 0.026 0.000 1.002 268 Q HN 0.582 nan 8.270 nan 0.000 0.493 269 L N 3.139 124.384 121.223 0.038 0.000 2.426 269 L HA 0.175 4.515 4.340 0.000 0.000 0.271 269 L C -1.800 175.093 176.870 0.038 0.000 1.169 269 L CA -1.477 53.390 54.840 0.045 0.000 0.836 269 L CB -0.043 42.049 42.059 0.056 0.000 1.112 269 L HN 0.029 nan 8.230 nan 0.000 0.465 270 P HA 0.295 nan 4.420 nan 0.000 0.283 270 P C -1.004 176.318 177.300 0.035 0.000 1.278 270 P CA -0.720 62.400 63.100 0.034 0.000 0.834 270 P CB 0.973 32.693 31.700 0.033 0.000 1.150 271 A N -0.174 122.663 122.820 0.029 0.000 2.565 271 A HA 0.383 4.703 4.320 0.000 0.000 0.237 271 A C 1.365 178.966 177.584 0.028 0.000 1.053 271 A CA 1.009 53.062 52.037 0.026 0.000 0.755 271 A CB -1.591 17.421 19.000 0.020 0.000 0.980 271 A HN 0.990 nan 8.150 nan 0.000 0.506 272 G N 0.871 109.689 108.800 0.031 0.000 2.194 272 G HA2 -0.146 3.814 3.960 0.000 0.000 0.236 272 G HA3 -0.146 3.814 3.960 0.000 0.000 0.236 272 G C 0.622 175.554 174.900 0.054 0.000 0.987 272 G CA 0.640 45.760 45.100 0.033 0.000 0.635 272 G HN 1.954 nan 8.290 nan 0.000 0.520 273 S N 0.806 116.543 115.700 0.061 0.000 2.549 273 S HA 0.529 4.999 4.470 0.000 0.000 0.279 273 S C 0.745 175.402 174.600 0.096 0.000 1.321 273 S CA -0.223 58.027 58.200 0.084 0.000 1.054 273 S CB 0.445 63.692 63.200 0.078 0.000 0.899 273 S HN 0.387 nan 8.310 nan 0.000 0.497 274 N N 2.192 120.972 118.700 0.134 0.000 2.413 274 N HA 0.374 5.114 4.740 0.000 0.000 0.266 274 N C 0.532 176.105 175.510 0.105 0.000 1.238 274 N CA -0.090 53.035 53.050 0.126 0.000 0.972 274 N CB 0.343 38.947 38.487 0.194 0.000 1.210 274 N HN 0.778 nan 8.380 nan 0.000 0.547 275 G N -0.385 108.441 108.800 0.042 0.000 2.572 275 G HA2 0.447 4.408 3.960 0.000 0.000 0.261 275 G HA3 0.447 4.408 3.960 0.000 0.000 0.261 275 G C -0.053 174.890 174.900 0.073 0.000 1.197 275 G CA -0.461 44.658 45.100 0.033 0.000 0.870 275 G HN 0.359 nan 8.290 nan 0.000 0.548 276 L N 0.200 121.481 121.223 0.096 0.000 2.375 276 L HA 0.502 4.842 4.340 0.000 0.000 0.271 276 L C 0.472 177.427 176.870 0.142 0.000 1.107 276 L CA -0.433 54.507 54.840 0.167 0.000 0.806 276 L CB 1.525 43.667 42.059 0.138 0.000 1.146 276 L HN 0.463 nan 8.230 nan 0.000 0.447 277 M N 3.137 122.885 119.600 0.247 0.000 2.508 277 M HA 0.572 5.052 4.480 0.000 0.000 0.327 277 M C -1.328 175.086 176.300 0.191 0.000 1.160 277 M CA -0.386 55.035 55.300 0.200 0.000 0.980 277 M CB 1.839 34.645 32.600 0.344 0.000 1.693 277 M HN 0.440 nan 8.290 nan 0.000 0.452 278 I N 3.112 123.778 120.570 0.160 0.000 2.382 278 I HA 0.245 4.415 4.170 0.000 0.000 0.286 278 I C -0.913 175.321 176.117 0.195 0.000 1.002 278 I CA -0.796 60.629 61.300 0.209 0.000 1.135 278 I CB 1.494 39.656 38.000 0.269 0.000 1.288 278 I HN 0.602 nan 8.210 nan 0.000 0.448 279 D N 5.681 126.202 120.400 0.201 0.000 2.338 279 D HA 0.047 4.688 4.640 0.000 0.000 0.255 279 D C 0.688 177.160 176.300 0.287 0.000 1.237 279 D CA 0.147 54.263 54.000 0.194 0.000 0.883 279 D CB 0.637 41.565 40.800 0.215 0.000 1.087 279 D HN 0.266 nan 8.370 nan 0.000 0.485 280 Y N 1.605 121.911 120.300 0.010 0.000 2.421 280 Y HA -0.041 4.509 4.550 0.000 0.000 0.292 280 Y C 1.802 177.668 175.900 -0.056 0.000 1.136 280 Y CA 0.236 58.295 58.100 -0.068 0.000 1.255 280 Y CB -0.504 37.902 38.460 -0.089 0.000 0.991 280 Y HN 0.237 nan 8.280 nan 0.000 0.552 281 S N -2.448 113.334 115.700 0.137 0.000 2.623 281 S HA 0.411 4.881 4.470 0.000 0.000 0.287 281 S C -0.111 174.512 174.600 0.038 0.000 1.123 281 S CA 0.157 58.344 58.200 -0.022 0.000 1.016 281 S CB 0.320 63.386 63.200 -0.223 0.000 1.233 281 S HN 0.524 nan 8.310 nan 0.000 0.512 282 H N -0.583 118.525 119.070 0.064 0.000 1.452 282 H HA -0.244 4.312 4.556 0.000 0.000 0.090 282 H C 1.437 176.807 175.328 0.071 0.000 0.836 282 H CA 1.433 57.518 56.048 0.061 0.000 1.901 282 H CB -1.545 28.250 29.762 0.055 0.000 2.257 282 H HN 0.691 nan 8.280 nan 0.000 0.961 283 G N -0.346 108.592 108.800 0.230 0.000 2.471 283 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 283 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 283 G C 1.112 176.105 174.900 0.156 0.000 1.125 283 G CA 1.046 46.239 45.100 0.155 0.000 0.775 283 G HN 0.483 nan 8.290 nan 0.000 0.548 284 N N 0.191 118.999 118.700 0.180 0.000 2.398 284 N HA 0.074 4.814 4.740 0.000 0.000 0.188 284 N C 1.813 177.392 175.510 0.115 0.000 1.122 284 N CA 0.276 53.458 53.050 0.218 0.000 0.866 284 N CB 0.551 39.190 38.487 0.253 0.000 0.970 284 N HN 0.142 nan 8.380 nan 0.000 0.462 285 S N 0.164 115.911 115.700 0.078 0.000 2.492 285 S HA 0.048 4.518 4.470 0.000 0.000 0.218 285 S C 0.323 174.945 174.600 0.036 0.000 1.016 285 S CA -0.231 57.984 58.200 0.025 0.000 0.916 285 S CB 0.045 63.253 63.200 0.014 0.000 0.791 285 S HN 0.411 nan 8.310 nan 0.000 0.513 286 N N 1.073 119.811 118.700 0.063 0.000 2.746 286 N HA -0.180 4.560 4.740 0.000 0.000 0.250 286 N C -0.179 175.352 175.510 0.035 0.000 1.055 286 N CA 0.756 53.838 53.050 0.053 0.000 0.699 286 N CB -1.172 37.345 38.487 0.050 0.000 0.919 286 N HN 0.305 nan 8.380 nan 0.000 0.548 287 K N -1.807 118.619 120.400 0.043 0.000 3.446 287 K HA -0.219 4.101 4.320 0.000 0.000 0.312 287 K C -1.087 175.539 176.600 0.043 0.000 1.329 287 K CA 1.413 57.727 56.287 0.044 0.000 0.935 287 K CB -0.839 31.684 32.500 0.038 0.000 1.281 287 K HN 0.568 nan 8.250 nan 0.000 0.457 288 D N -0.542 119.870 120.400 0.021 0.000 2.602 288 D HA 0.144 4.784 4.640 0.000 0.000 0.245 288 D C 0.704 176.969 176.300 -0.059 0.000 1.325 288 D CA -0.667 53.312 54.000 -0.035 0.000 0.952 288 D CB 0.476 41.210 40.800 -0.110 0.000 1.317 288 D HN -0.041 nan 8.370 nan 0.000 0.577 289 F N 3.157 123.088 119.950 -0.031 0.000 2.250 289 F HA 0.000 4.528 4.527 0.000 0.000 0.301 289 F C 1.738 177.517 175.800 -0.033 0.000 1.077 289 F CA 0.655 58.632 58.000 -0.038 0.000 1.348 289 F CB -0.405 38.574 39.000 -0.035 0.000 1.040 289 F HN 0.168 nan 8.300 nan 0.000 0.509 290 R N 0.631 120.621 120.500 -0.849 0.000 2.241 290 R HA -0.088 4.252 4.340 0.000 0.000 0.224 290 R C 1.402 177.545 176.300 -0.261 0.000 1.101 290 R CA 1.001 56.761 56.100 -0.566 0.000 0.995 290 R CB -0.600 29.334 30.300 -0.610 0.000 0.870 290 R HN 0.296 nan 8.270 nan 0.000 0.463 291 N N 0.676 119.254 118.700 -0.202 0.000 2.512 291 N HA -0.110 4.630 4.740 0.000 0.000 0.183 291 N C 1.242 176.650 175.510 -0.171 0.000 1.073 291 N CA 0.789 53.747 53.050 -0.154 0.000 0.911 291 N CB 0.098 38.518 38.487 -0.112 0.000 0.964 291 N HN 0.391 nan 8.380 nan 0.000 0.447 292 Q N 0.135 119.870 119.800 -0.108 0.000 2.046 292 Q HA -0.054 4.286 4.340 0.000 0.000 0.200 292 Q C -0.691 175.218 176.000 -0.152 0.000 0.975 292 Q CA 1.239 56.998 55.803 -0.073 0.000 0.836 292 Q CB -0.945 27.844 28.738 0.085 0.000 0.896 292 Q HN 0.325 nan 8.270 nan 0.000 0.428 293 P HA -0.176 nan 4.420 nan 0.000 0.219 293 P C 0.581 177.769 177.300 -0.188 0.000 1.146 293 P CA 1.443 64.475 63.100 -0.113 0.000 0.808 293 P CB -0.007 31.651 31.700 -0.071 0.000 0.779 294 K N -1.057 119.215 120.400 -0.213 0.000 2.243 294 K HA 0.025 4.345 4.320 0.000 0.000 0.201 294 K C 1.867 178.277 176.600 -0.316 0.000 1.051 294 K CA 0.776 56.942 56.287 -0.202 0.000 0.970 294 K CB -0.548 31.869 32.500 -0.140 0.000 0.755 294 K HN 0.035 nan 8.250 nan 0.000 0.465 295 V N 2.193 121.771 119.914 -0.560 0.000 2.343 295 V HA -0.265 3.855 4.120 0.000 0.000 0.247 295 V C 2.093 177.657 176.094 -0.884 0.000 1.051 295 V CA 1.967 63.675 62.300 -0.986 0.000 1.036 295 V CB -0.712 30.380 31.823 -1.218 0.000 0.654 295 V HN 0.362 nan 8.190 nan 0.000 0.451 296 N N 0.709 118.871 118.700 -0.897 0.000 2.036 296 N HA -0.216 4.524 4.740 0.000 0.000 0.195 296 N C 1.528 176.902 175.510 -0.226 0.000 1.037 296 N CA 2.059 54.793 53.050 -0.528 0.000 0.855 296 N CB -0.315 38.091 38.487 -0.137 0.000 1.033 296 N HN 0.473 nan 8.380 nan 0.000 0.423 297 D N -0.379 119.912 120.400 -0.182 0.000 2.106 297 D HA -0.142 4.498 4.640 0.000 0.000 0.191 297 D C 2.084 178.344 176.300 -0.066 0.000 0.997 297 D CA 1.160 55.103 54.000 -0.095 0.000 0.834 297 D CB -0.640 40.112 40.800 -0.079 0.000 0.956 297 D HN 0.142 nan 8.370 nan 0.000 0.448 298 V N 0.880 120.754 119.914 -0.068 0.000 2.343 298 V HA -0.207 3.913 4.120 0.000 0.000 0.247 298 V C 2.697 178.813 176.094 0.036 0.000 1.051 298 V CA 1.080 63.397 62.300 0.028 0.000 1.036 298 V CB -0.456 31.481 31.823 0.190 0.000 0.654 298 V HN 0.050 nan 8.190 nan 0.000 0.451 299 V N -1.153 118.756 119.914 -0.008 0.000 2.307 299 V HA -0.275 3.845 4.120 0.000 0.000 0.245 299 V C 2.556 178.676 176.094 0.043 0.000 1.045 299 V CA 2.206 64.532 62.300 0.044 0.000 1.024 299 V CB -0.681 31.186 31.823 0.073 0.000 0.651 299 V HN 0.638 nan 8.190 nan 0.000 0.449 300 C N -0.408 118.905 119.300 0.021 0.000 2.398 300 C HA -0.206 4.254 4.460 0.000 0.000 0.276 300 C C 2.746 177.744 174.990 0.015 0.000 1.222 300 C CA 1.382 60.413 59.018 0.022 0.000 1.746 300 C CB -0.993 26.751 27.740 0.007 0.000 2.039 300 C HN 0.634 nan 8.230 nan 0.000 0.470 301 E N 0.139 120.345 120.200 0.009 0.000 2.097 301 E HA -0.282 4.068 4.350 0.000 0.000 0.196 301 E C 2.187 178.797 176.600 0.018 0.000 1.000 301 E CA 1.540 57.946 56.400 0.011 0.000 0.804 301 E CB -0.128 29.577 29.700 0.009 0.000 0.740 301 E HN 0.706 nan 8.360 nan 0.000 0.454 302 Q N -0.105 119.712 119.800 0.028 0.000 2.123 302 Q HA -0.076 4.264 4.340 0.000 0.000 0.199 302 Q C 2.282 178.297 176.000 0.026 0.000 0.966 302 Q CA 0.916 56.736 55.803 0.028 0.000 0.845 302 Q CB 0.034 28.796 28.738 0.039 0.000 0.907 302 Q HN 0.347 nan 8.270 nan 0.000 0.439 303 I N 0.704 121.291 120.570 0.029 0.000 2.179 303 I HA -0.286 3.884 4.170 0.000 0.000 0.242 303 I C 2.322 178.448 176.117 0.015 0.000 1.088 303 I CA 1.116 62.430 61.300 0.024 0.000 1.357 303 I CB -0.348 37.668 38.000 0.028 0.000 1.051 303 I HN 0.176 nan 8.210 nan 0.000 0.409 304 A N 0.172 123.000 122.820 0.013 0.000 2.067 304 A HA -0.123 4.197 4.320 0.000 0.000 0.219 304 A C 1.754 179.342 177.584 0.007 0.000 1.158 304 A CA 1.301 53.343 52.037 0.007 0.000 0.661 304 A CB -0.480 18.523 19.000 0.005 0.000 0.801 304 A HN 0.445 nan 8.150 nan 0.000 0.452 305 N N -0.700 118.006 118.700 0.009 0.000 2.276 305 N HA 0.190 4.930 4.740 0.000 0.000 0.212 305 N C 0.846 176.361 175.510 0.009 0.000 1.127 305 N CA 0.863 53.917 53.050 0.008 0.000 0.834 305 N CB 0.637 39.129 38.487 0.008 0.000 1.014 305 N HN 0.603 nan 8.380 nan 0.000 0.491 306 G N 1.294 110.099 108.800 0.009 0.000 2.168 306 G HA2 -0.233 3.727 3.960 0.000 0.000 0.197 306 G HA3 -0.233 3.727 3.960 0.000 0.000 0.197 306 G C -0.072 174.835 174.900 0.012 0.000 0.997 306 G CA -0.391 44.715 45.100 0.009 0.000 0.658 306 G HN 0.296 nan 8.290 nan 0.000 0.513 307 E N 1.455 121.664 120.200 0.016 0.000 2.081 307 E HA 0.317 4.667 4.350 0.000 0.000 0.270 307 E C 1.312 177.923 176.600 0.018 0.000 1.180 307 E CA -0.244 56.168 56.400 0.020 0.000 0.926 307 E CB -0.137 29.580 29.700 0.028 0.000 1.035 307 E HN 0.306 nan 8.360 nan 0.000 0.418 308 N N 3.552 122.261 118.700 0.015 0.000 2.461 308 N HA -0.026 4.715 4.740 0.000 0.000 0.188 308 N C 0.717 176.235 175.510 0.013 0.000 1.134 308 N CA 0.732 53.788 53.050 0.011 0.000 0.878 308 N CB 0.444 38.936 38.487 0.008 0.000 0.972 308 N HN 0.481 nan 8.380 nan 0.000 0.456 309 A N 0.562 123.396 122.820 0.022 0.000 2.123 309 A HA 0.148 4.468 4.320 0.000 0.000 0.214 309 A C 1.051 178.655 177.584 0.033 0.000 1.152 309 A CA 0.106 52.161 52.037 0.030 0.000 0.728 309 A CB -0.052 18.971 19.000 0.039 0.000 0.814 309 A HN 0.133 nan 8.150 nan 0.000 0.464 310 I N 1.660 122.250 120.570 0.032 0.000 2.281 310 I HA 0.078 4.248 4.170 0.000 0.000 0.293 310 I C 1.326 177.447 176.117 0.006 0.000 1.085 310 I CA 0.106 61.428 61.300 0.038 0.000 1.257 310 I CB 1.142 39.175 38.000 0.057 0.000 1.430 310 I HN 0.297 nan 8.210 nan 0.000 0.489 311 T N 0.735 115.276 114.554 -0.023 0.000 3.040 311 T HA 0.304 4.654 4.350 0.000 0.000 0.250 311 T C 0.668 175.305 174.700 -0.106 0.000 1.058 311 T CA -0.148 61.908 62.100 -0.073 0.000 0.988 311 T CB 0.489 69.289 68.868 -0.114 0.000 0.993 311 T HN 0.590 nan 8.240 nan 0.000 0.519 312 G N 0.775 109.529 108.800 -0.076 0.000 2.690 312 G HA2 0.601 4.561 3.960 0.000 0.000 0.293 312 G HA3 0.601 4.561 3.960 0.000 0.000 0.293 312 G C -1.406 173.467 174.900 -0.045 0.000 1.399 312 G CA -0.364 44.679 45.100 -0.096 0.000 0.890 312 G HN 0.826 nan 8.290 nan 0.000 0.485 313 V N -1.335 118.513 119.914 -0.111 0.000 3.007 313 V HA 0.906 5.026 4.120 0.000 0.000 0.311 313 V C -0.458 175.492 176.094 -0.241 0.000 1.120 313 V CA -1.172 61.017 62.300 -0.185 0.000 0.980 313 V CB 1.920 33.517 31.823 -0.376 0.000 1.033 313 V HN 1.025 nan 8.190 nan 0.000 0.429 314 M N 3.639 123.091 119.600 -0.247 0.000 2.465 314 M HA 0.794 5.274 4.480 0.000 0.000 0.316 314 M C -1.937 174.193 176.300 -0.282 0.000 1.121 314 M CA -0.659 54.522 55.300 -0.198 0.000 0.934 314 M CB 1.876 34.456 32.600 -0.032 0.000 1.692 314 M HN 0.806 nan 8.290 nan 0.000 0.444 315 I N 3.019 123.464 120.570 -0.209 0.000 2.569 315 I HA 0.290 4.461 4.170 0.000 0.000 0.290 315 I C -0.866 175.205 176.117 -0.076 0.000 1.088 315 I CA -0.526 60.679 61.300 -0.158 0.000 1.047 315 I CB 2.423 40.316 38.000 -0.178 0.000 1.237 315 I HN 0.663 nan 8.210 nan 0.000 0.421 316 E N 4.475 124.637 120.200 -0.062 0.000 2.152 316 E HA 0.432 4.782 4.350 0.000 0.000 0.285 316 E C -0.684 175.903 176.600 -0.023 0.000 1.043 316 E CA -0.228 56.126 56.400 -0.076 0.000 0.839 316 E CB 1.529 31.146 29.700 -0.139 0.000 1.069 316 E HN 0.482 nan 8.360 nan 0.000 0.399 317 S N 3.900 119.595 115.700 -0.009 0.000 2.541 317 S HA 0.515 4.985 4.470 0.000 0.000 0.271 317 S C -1.213 173.417 174.600 0.050 0.000 1.133 317 S CA -0.802 57.455 58.200 0.095 0.000 0.876 317 S CB 1.630 64.961 63.200 0.218 0.000 1.105 317 S HN 0.439 nan 8.310 nan 0.000 0.470 318 N N 1.488 120.297 118.700 0.181 0.000 2.972 318 N HA 0.507 5.248 4.740 0.000 0.000 0.262 318 N C 1.016 176.777 175.510 0.419 0.000 1.478 318 N CA -0.661 52.462 53.050 0.121 0.000 0.841 318 N CB 1.184 39.649 38.487 -0.037 0.000 1.512 318 N HN 0.637 nan 8.380 nan 0.000 0.548 319 I N 0.481 121.257 120.570 0.342 0.000 2.127 319 I HA -0.216 3.954 4.170 0.000 0.000 0.241 319 I C 0.338 176.590 176.117 0.225 0.000 1.075 319 I CA 1.200 62.663 61.300 0.272 0.000 1.334 319 I CB -0.121 37.968 38.000 0.148 0.000 1.040 319 I HN 0.336 nan 8.210 nan 0.000 0.405 320 N N 0.808 119.588 118.700 0.133 0.000 2.404 320 N HA 0.225 4.966 4.740 0.000 0.000 0.297 320 N C -0.714 174.804 175.510 0.012 0.000 1.163 320 N CA -0.490 52.612 53.050 0.086 0.000 0.864 320 N CB 1.348 39.873 38.487 0.063 0.000 1.247 320 N HN 0.215 nan 8.380 nan 0.000 0.510 321 E N -0.337 119.849 120.200 -0.023 0.000 2.312 321 E HA 0.573 4.924 4.350 0.000 0.000 0.259 321 E C 0.591 176.969 176.600 -0.370 0.000 1.122 321 E CA -0.708 55.592 56.400 -0.167 0.000 0.922 321 E CB 0.510 30.192 29.700 -0.030 0.000 1.109 321 E HN 0.639 nan 8.360 nan 0.000 0.442 322 G N 0.999 109.273 108.800 -0.877 0.000 2.632 322 G HA2 -0.178 3.782 3.960 0.000 0.000 0.224 322 G HA3 -0.178 3.782 3.960 0.000 0.000 0.224 322 G C -0.645 173.991 174.900 -0.439 0.000 1.341 322 G CA -0.012 44.584 45.100 -0.840 0.000 0.880 322 G HN 1.196 nan 8.290 nan 0.000 0.566 323 N N -0.857 117.683 118.700 -0.267 0.000 3.418 323 N HA 0.683 5.423 4.740 0.000 0.000 0.316 323 N C -0.747 174.693 175.510 -0.117 0.000 1.601 323 N CA 0.198 53.147 53.050 -0.168 0.000 0.805 323 N CB 1.033 39.440 38.487 -0.135 0.000 1.873 323 N HN 1.683 nan 8.380 nan 0.000 0.615 324 Q N -1.118 118.616 119.800 -0.110 0.000 2.438 324 Q HA 0.539 4.879 4.340 0.000 0.000 0.272 324 Q C -0.905 175.034 176.000 -0.102 0.000 0.994 324 Q CA -1.158 54.587 55.803 -0.097 0.000 0.887 324 Q CB 1.263 29.938 28.738 -0.105 0.000 1.432 324 Q HN 0.774 nan 8.270 nan 0.000 0.392 325 G N 1.839 110.595 108.800 -0.073 0.000 2.569 325 G HA2 0.425 4.385 3.960 0.000 0.000 0.249 325 G HA3 0.425 4.385 3.960 0.000 0.000 0.249 325 G C -0.268 174.575 174.900 -0.095 0.000 1.216 325 G CA -0.817 44.242 45.100 -0.069 0.000 0.845 325 G HN 0.598 nan 8.290 nan 0.000 0.568 326 I N 3.049 123.563 120.570 -0.093 0.000 2.337 326 I HA 0.174 4.344 4.170 0.000 0.000 0.291 326 I C -1.199 174.881 176.117 -0.062 0.000 1.046 326 I CA -1.325 59.914 61.300 -0.103 0.000 1.324 326 I CB 1.237 39.175 38.000 -0.105 0.000 1.409 326 I HN 0.391 nan 8.210 nan 0.000 0.494 327 P HA 0.298 nan 4.420 nan 0.000 0.293 327 P C 0.366 177.649 177.300 -0.028 0.000 1.304 327 P CA -0.485 62.593 63.100 -0.036 0.000 0.767 327 P CB 0.884 32.565 31.700 -0.033 0.000 1.247 328 A N -0.679 122.129 122.820 -0.019 0.000 1.897 328 A HA -0.136 4.184 4.320 0.000 0.000 0.215 328 A C 2.119 179.696 177.584 -0.013 0.000 1.181 328 A CA 1.519 53.548 52.037 -0.012 0.000 0.620 328 A CB -1.412 17.583 19.000 -0.008 0.000 0.821 328 A HN 0.704 nan 8.150 nan 0.000 0.443 329 E N -0.865 119.327 120.200 -0.014 0.000 2.324 329 E HA -0.104 4.246 4.350 0.000 0.000 0.205 329 E C 1.175 177.765 176.600 -0.018 0.000 1.031 329 E CA 0.658 57.050 56.400 -0.014 0.000 0.836 329 E CB -0.357 29.334 29.700 -0.015 0.000 0.742 329 E HN 0.834 nan 8.360 nan 0.000 0.491 330 G N -0.030 108.755 108.800 -0.026 0.000 2.642 330 G HA2 -0.358 3.602 3.960 0.000 0.000 0.231 330 G HA3 -0.358 3.602 3.960 0.000 0.000 0.231 330 G C 0.452 175.323 174.900 -0.048 0.000 1.338 330 G CA 0.035 45.115 45.100 -0.034 0.000 0.883 330 G HN 0.138 nan 8.290 nan 0.000 0.570 331 K N 0.045 120.414 120.400 -0.052 0.000 2.097 331 K HA -0.173 4.147 4.320 0.000 0.000 0.214 331 K C 3.043 179.625 176.600 -0.031 0.000 1.052 331 K CA 3.304 59.557 56.287 -0.056 0.000 0.932 331 K CB -1.316 31.163 32.500 -0.035 0.000 0.716 331 K HN 1.472 nan 8.250 nan 0.000 0.455 332 A N -0.509 122.300 122.820 -0.018 0.000 2.076 332 A HA -0.058 4.262 4.320 0.000 0.000 0.220 332 A C 2.019 179.599 177.584 -0.007 0.000 1.160 332 A CA 1.875 53.908 52.037 -0.007 0.000 0.653 332 A CB -0.569 18.429 19.000 -0.004 0.000 0.801 332 A HN 0.449 nan 8.150 nan 0.000 0.455 333 G N -1.459 107.330 108.800 -0.017 0.000 3.337 333 G HA2 0.426 4.387 3.960 0.000 0.000 0.246 333 G HA3 0.426 4.387 3.960 0.000 0.000 0.246 333 G C -0.012 174.875 174.900 -0.021 0.000 1.131 333 G CA -0.256 44.834 45.100 -0.017 0.000 0.773 333 G HN 0.236 nan 8.290 nan 0.000 0.544 334 L N 1.600 122.809 121.223 -0.024 0.000 2.326 334 L HA 0.331 4.671 4.340 0.000 0.000 0.278 334 L C 0.580 177.455 176.870 0.008 0.000 1.092 334 L CA -0.785 54.033 54.840 -0.036 0.000 0.810 334 L CB 1.101 43.120 42.059 -0.066 0.000 1.153 334 L HN 0.104 nan 8.230 nan 0.000 0.439 335 K N 3.156 123.558 120.400 0.003 0.000 2.414 335 K HA -0.016 4.305 4.320 0.000 0.000 0.272 335 K C -0.620 176.037 176.600 0.096 0.000 0.993 335 K CA -0.188 56.125 56.287 0.044 0.000 0.964 335 K CB 0.252 32.764 32.500 0.019 0.000 0.925 335 K HN 0.392 nan 8.250 nan 0.000 0.487 336 Y N 0.328 120.626 120.300 -0.005 0.000 2.359 336 Y HA 0.189 4.739 4.550 0.000 0.000 0.330 336 Y C 1.210 177.113 175.900 0.006 0.000 1.143 336 Y CA 1.187 59.286 58.100 -0.000 0.000 1.318 336 Y CB 0.821 39.274 38.460 -0.012 0.000 1.234 336 Y HN 0.951 nan 8.280 nan 0.000 0.522 337 G N 3.652 112.259 108.800 -0.322 0.000 2.249 337 G HA2 -0.213 3.748 3.960 0.000 0.000 0.273 337 G HA3 -0.213 3.748 3.960 0.000 0.000 0.273 337 G C -0.994 173.869 174.900 -0.062 0.000 1.036 337 G CA 0.385 45.354 45.100 -0.219 0.000 0.824 337 G HN 0.699 nan 8.290 nan 0.000 0.504 338 V N 0.263 120.154 119.914 -0.039 0.000 2.444 338 V HA 0.644 4.764 4.120 0.000 0.000 0.294 338 V C 0.916 176.976 176.094 -0.057 0.000 1.022 338 V CA -0.250 62.018 62.300 -0.053 0.000 0.850 338 V CB 1.664 33.452 31.823 -0.058 0.000 0.992 338 V HN 0.629 nan 8.190 nan 0.000 0.426 339 S N 4.552 120.202 115.700 -0.084 0.000 2.558 339 S HA 0.103 4.573 4.470 0.000 0.000 0.293 339 S C 1.014 175.501 174.600 -0.189 0.000 1.292 339 S CA -0.160 57.984 58.200 -0.093 0.000 1.063 339 S CB 0.107 63.249 63.200 -0.096 0.000 0.831 339 S HN 0.755 nan 8.310 nan 0.000 0.499 340 I N 2.417 122.800 120.570 -0.312 0.000 3.855 340 I HA 0.216 4.387 4.170 0.000 0.000 0.327 340 I C 0.624 176.677 176.117 -0.107 0.000 1.359 340 I CA -0.220 60.901 61.300 -0.298 0.000 1.142 340 I CB -0.944 36.730 38.000 -0.543 0.000 1.041 340 I HN 0.652 nan 8.210 nan 0.000 0.403 341 T N -2.292 112.244 114.554 -0.030 0.000 1.672 341 T HA 0.309 4.659 4.350 0.000 0.000 0.180 341 T C 0.125 174.832 174.700 0.012 0.000 0.699 341 T CA -0.405 61.726 62.100 0.052 0.000 1.153 341 T CB -0.021 68.934 68.868 0.146 0.000 3.217 341 T HN 0.044 nan 8.240 nan 0.000 0.426 342 D N 1.722 122.134 120.400 0.020 0.000 2.360 342 D HA 0.525 5.165 4.640 0.000 0.000 0.242 342 D C -0.056 176.203 176.300 -0.068 0.000 1.184 342 D CA -0.114 53.877 54.000 -0.015 0.000 0.930 342 D CB 0.681 41.457 40.800 -0.040 0.000 1.161 342 D HN 0.799 nan 8.370 nan 0.000 0.447 343 A N 0.884 123.659 122.820 -0.075 0.000 2.366 343 A HA 0.385 4.706 4.320 0.000 0.000 0.272 343 A C -0.116 177.366 177.584 -0.170 0.000 1.135 343 A CA -0.442 51.495 52.037 -0.167 0.000 0.804 343 A CB 0.115 19.053 19.000 -0.103 0.000 1.064 343 A HN 0.590 nan 8.150 nan 0.000 0.499 344 C N 2.516 121.655 119.300 -0.268 0.000 2.454 344 C HA 0.609 5.069 4.460 0.000 0.000 0.336 344 C C 0.720 175.626 174.990 -0.140 0.000 1.189 344 C CA -0.742 58.190 59.018 -0.143 0.000 1.877 344 C CB 0.566 28.242 27.740 -0.106 0.000 2.348 344 C HN 0.828 nan 8.230 nan 0.000 0.508 345 I N 1.324 121.946 120.570 0.088 0.000 2.754 345 I HA 0.538 4.708 4.170 0.000 0.000 0.285 345 I C 0.735 176.913 176.117 0.102 0.000 1.166 345 I CA 0.257 61.661 61.300 0.174 0.000 1.417 345 I CB -0.012 38.093 38.000 0.175 0.000 1.382 345 I HN 0.718 nan 8.210 nan 0.000 0.588 346 G N 3.837 112.709 108.800 0.119 0.000 2.621 346 G HA2 0.019 3.979 3.960 0.000 0.000 0.271 346 G HA3 0.019 3.979 3.960 0.000 0.000 0.271 346 G C 0.234 175.248 174.900 0.190 0.000 1.236 346 G CA -0.650 44.543 45.100 0.155 0.000 0.958 346 G HN 1.070 nan 8.290 nan 0.000 0.512 347 W N 0.455 121.801 121.300 0.076 0.000 2.354 347 W HA -0.153 4.507 4.660 0.000 0.000 0.315 347 W C 2.298 178.830 176.519 0.022 0.000 1.206 347 W CA 1.936 59.309 57.345 0.047 0.000 1.290 347 W CB 0.100 29.569 29.460 0.015 0.000 1.152 347 W HN 0.765 nan 8.180 nan 0.000 0.489 348 E N -0.017 120.167 120.200 -0.028 0.000 2.097 348 E HA -0.237 4.113 4.350 0.000 0.000 0.196 348 E C 1.784 178.269 176.600 -0.192 0.000 1.000 348 E CA 2.228 58.552 56.400 -0.126 0.000 0.804 348 E CB -1.517 28.207 29.700 0.041 0.000 0.740 348 E HN 0.156 nan 8.360 nan 0.000 0.454 349 T N 0.977 115.472 114.554 -0.099 0.000 2.849 349 T HA -0.094 4.256 4.350 0.000 0.000 0.270 349 T C 1.839 176.444 174.700 -0.159 0.000 1.066 349 T CA 1.865 63.913 62.100 -0.086 0.000 1.130 349 T CB -0.344 68.524 68.868 -0.000 0.000 0.864 349 T HN 0.291 nan 8.240 nan 0.000 0.481 350 T N 1.718 116.101 114.554 -0.285 0.000 2.896 350 T HA -0.004 4.346 4.350 0.000 0.000 0.263 350 T C 1.953 176.367 174.700 -0.476 0.000 1.050 350 T CA 0.737 62.629 62.100 -0.346 0.000 1.140 350 T CB -0.089 68.562 68.868 -0.362 0.000 0.877 350 T HN 0.536 nan 8.240 nan 0.000 0.457 351 E N 1.281 121.069 120.200 -0.688 0.000 2.058 351 E HA -0.179 4.172 4.350 0.000 0.000 0.194 351 E C 1.930 178.374 176.600 -0.259 0.000 0.997 351 E CA 1.321 57.422 56.400 -0.499 0.000 0.801 351 E CB -0.182 29.255 29.700 -0.440 0.000 0.746 351 E HN 0.409 nan 8.360 nan 0.000 0.450 352 D N 0.524 120.798 120.400 -0.210 0.000 2.092 352 D HA -0.132 4.508 4.640 0.000 0.000 0.193 352 D C 2.119 178.363 176.300 -0.094 0.000 0.994 352 D CA 0.761 54.689 54.000 -0.120 0.000 0.828 352 D CB -0.460 40.285 40.800 -0.092 0.000 0.963 352 D HN -0.020 nan 8.370 nan 0.000 0.450 353 V N 0.762 120.620 119.914 -0.094 0.000 2.343 353 V HA -0.201 3.919 4.120 0.000 0.000 0.247 353 V C 2.561 178.631 176.094 -0.041 0.000 1.051 353 V CA 1.184 63.461 62.300 -0.038 0.000 1.036 353 V CB -0.351 31.476 31.823 0.005 0.000 0.654 353 V HN 0.206 nan 8.190 nan 0.000 0.451 354 L N -0.964 120.201 121.223 -0.097 0.000 2.027 354 L HA -0.167 4.173 4.340 0.000 0.000 0.206 354 L C 2.729 179.561 176.870 -0.064 0.000 1.074 354 L CA 1.594 56.382 54.840 -0.086 0.000 0.745 354 L CB -0.573 41.410 42.059 -0.126 0.000 0.898 354 L HN 0.204 nan 8.230 nan 0.000 0.433 355 R N 0.115 120.570 120.500 -0.075 0.000 2.103 355 R HA -0.239 4.101 4.340 0.000 0.000 0.242 355 R C 2.350 178.629 176.300 -0.036 0.000 1.142 355 R CA 1.777 57.845 56.100 -0.053 0.000 0.960 355 R CB -0.196 30.069 30.300 -0.059 0.000 0.858 355 R HN 0.232 nan 8.270 nan 0.000 0.439 356 K N 0.268 120.648 120.400 -0.033 0.000 2.103 356 K HA -0.112 4.208 4.320 0.000 0.000 0.204 356 K C 1.940 178.536 176.600 -0.007 0.000 1.052 356 K CA 0.795 57.071 56.287 -0.020 0.000 0.945 356 K CB -0.025 32.462 32.500 -0.021 0.000 0.722 356 K HN 0.030 nan 8.250 nan 0.000 0.443 357 L N 0.982 122.205 121.223 0.001 0.000 2.083 357 L HA -0.060 4.280 4.340 0.000 0.000 0.209 357 L C 2.129 178.998 176.870 -0.002 0.000 1.083 357 L CA 1.878 56.726 54.840 0.014 0.000 0.752 357 L CB -0.567 41.508 42.059 0.026 0.000 0.899 357 L HN 0.199 nan 8.230 nan 0.000 0.433 358 A N -0.483 122.328 122.820 -0.014 0.000 1.908 358 A HA -0.145 4.175 4.320 0.000 0.000 0.218 358 A C 2.462 180.039 177.584 -0.012 0.000 1.181 358 A CA 1.817 53.844 52.037 -0.016 0.000 0.627 358 A CB -1.133 17.855 19.000 -0.021 0.000 0.818 358 A HN 0.561 nan 8.150 nan 0.000 0.445 359 A N -0.115 122.698 122.820 -0.011 0.000 1.877 359 A HA 0.142 4.462 4.320 0.000 0.000 0.216 359 A C 2.526 180.107 177.584 -0.005 0.000 1.186 359 A CA 2.170 54.202 52.037 -0.009 0.000 0.620 359 A CB -1.077 17.917 19.000 -0.011 0.000 0.822 359 A HN 1.097 nan 8.150 nan 0.000 0.443 360 A N -0.510 122.309 122.820 -0.002 0.000 1.908 360 A HA -0.027 4.294 4.320 0.000 0.000 0.218 360 A C 2.237 179.822 177.584 0.002 0.000 1.181 360 A CA 1.865 53.904 52.037 0.003 0.000 0.627 360 A CB -1.012 17.994 19.000 0.010 0.000 0.818 360 A HN 0.414 nan 8.150 nan 0.000 0.445 361 V N 0.198 120.111 119.914 -0.001 0.000 2.287 361 V HA -0.322 3.798 4.120 0.000 0.000 0.248 361 V C 2.622 178.713 176.094 -0.005 0.000 1.053 361 V CA 2.331 64.629 62.300 -0.004 0.000 1.027 361 V CB -0.895 30.922 31.823 -0.009 0.000 0.646 361 V HN 0.543 nan 8.190 nan 0.000 0.447 362 R N -0.249 120.248 120.500 -0.006 0.000 2.103 362 R HA -0.281 4.060 4.340 0.000 0.000 0.242 362 R C 2.401 178.699 176.300 -0.004 0.000 1.142 362 R CA 2.076 58.173 56.100 -0.005 0.000 0.960 362 R CB -0.394 29.902 30.300 -0.006 0.000 0.858 362 R HN 0.488 nan 8.270 nan 0.000 0.439 363 Q N 0.908 120.706 119.800 -0.003 0.000 2.123 363 Q HA -0.104 4.236 4.340 0.000 0.000 0.199 363 Q C 1.942 177.942 176.000 -0.000 0.000 0.966 363 Q CA 1.478 57.280 55.803 -0.001 0.000 0.845 363 Q CB -0.121 28.617 28.738 -0.001 0.000 0.907 363 Q HN 0.160 nan 8.270 nan 0.000 0.439 364 R N -0.397 120.104 120.500 0.001 0.000 2.120 364 R HA -0.066 4.274 4.340 0.000 0.000 0.234 364 R C 2.151 178.451 176.300 -0.000 0.000 1.123 364 R CA 1.135 57.236 56.100 0.002 0.000 0.975 364 R CB 0.007 30.309 30.300 0.002 0.000 0.866 364 R HN 0.206 nan 8.270 nan 0.000 0.446 365 R N 0.303 120.802 120.500 -0.002 0.000 2.083 365 R HA -0.149 4.191 4.340 0.000 0.000 0.237 365 R C 2.120 178.419 176.300 -0.001 0.000 1.137 365 R CA 1.611 57.709 56.100 -0.002 0.000 0.951 365 R CB -0.310 29.988 30.300 -0.004 0.000 0.851 365 R HN 0.359 nan 8.270 nan 0.000 0.434 366 E N 0.431 120.631 120.200 -0.001 0.000 2.051 366 E HA -0.138 4.212 4.350 0.000 0.000 0.192 366 E C 2.187 178.787 176.600 0.000 0.000 0.991 366 E CA 1.143 57.542 56.400 -0.001 0.000 0.799 366 E CB -0.170 29.530 29.700 -0.001 0.000 0.748 366 E HN 0.119 nan 8.360 nan 0.000 0.449 367 V N 2.518 122.433 119.914 0.001 0.000 2.453 367 V HA -0.248 3.872 4.120 0.000 0.000 0.252 367 V C 1.889 177.984 176.094 0.002 0.000 1.068 367 V CA 1.652 63.953 62.300 0.002 0.000 1.070 367 V CB -0.514 31.311 31.823 0.003 0.000 0.664 367 V HN 0.203 nan 8.190 nan 0.000 0.461 368 N N 0.029 118.730 118.700 0.002 0.000 2.354 368 N HA -0.031 4.709 4.740 0.000 0.000 0.179 368 N C 0.917 176.428 175.510 0.002 0.000 1.021 368 N CA 0.493 53.544 53.050 0.002 0.000 0.887 368 N CB -0.057 38.431 38.487 0.001 0.000 0.974 368 N HN 0.676 nan 8.380 nan 0.000 0.437 369 K N 0.000 120.401 120.400 0.001 0.000 2.780 369 K HA 0.000 4.320 4.320 0.000 0.000 0.191 369 K CA 0.000 56.288 56.287 0.001 0.000 0.838 369 K CB 0.000 32.500 32.500 0.000 0.000 1.064 369 K HN 0.000 nan 8.250 nan 0.000 0.543