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 2ib9_1_C DATA FIRST_RESID 36 DATA SEQUENCE KPTLKEVVIV SATRTPIGSF LGSLSLLPAT KLGSIAIQGA IEKAGIPKEE DATA SEQUENCE VKEAYMGNVL QGGEGQAPTR QAVLGAGLPI STPCTTINKV CASGMKAIMM DATA SEQUENCE ASQSLMCGHQ DVMVAGGMES MSNVPYVMNR GSTPYGGVKL EDLIVKDGLT DATA SEQUENCE DVYNKIHMGS CAENTAKKLN IARNEQDAYA INSYTRSKAA WEAGKFGNEV DATA SEQUENCE IPVTVTVKGQ PDVVVKEDEE YKRVDFSKVP KLKTVFQKEN GTVTAANAST DATA SEQUENCE LNDGAAALVL MTADAAKRLN VTPLARIVAF ADAAVEPIDF PIAPVYAASM DATA SEQUENCE VLKDVGLKKE DIAMWEVNEA FSLVVLANIK MLEIDPQKVN INGGAVSLGH DATA SEQUENCE PIGMSGARIV GHLTHALKQG EYGLASICNG GGGASAMLIQ KL 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 36 K HA 0.000 nan 4.320 nan 0.000 0.191 36 K C 0.000 176.591 176.600 -0.016 0.000 0.988 36 K CA 0.000 56.278 56.287 -0.016 0.000 0.838 36 K CB 0.000 32.488 32.500 -0.019 0.000 1.064 37 P HA 0.003 nan 4.420 nan 0.000 0.264 37 P C -0.875 176.413 177.300 -0.019 0.000 1.179 37 P CA 0.014 63.104 63.100 -0.017 0.000 0.763 37 P CB 0.461 32.149 31.700 -0.019 0.000 0.806 38 T N 0.965 115.510 114.554 -0.016 0.000 2.753 38 T HA 0.603 4.953 4.350 -0.000 0.000 0.297 38 T C -0.197 174.492 174.700 -0.019 0.000 0.981 38 T CA -0.785 61.305 62.100 -0.016 0.000 0.956 38 T CB -0.045 68.816 68.868 -0.012 0.000 0.936 38 T HN 0.173 nan 8.240 nan 0.000 0.463 39 L N 2.513 123.723 121.223 -0.022 0.000 2.330 39 L HA 0.600 4.940 4.340 -0.000 0.000 0.271 39 L C 0.388 177.247 176.870 -0.018 0.000 1.013 39 L CA -1.626 53.200 54.840 -0.024 0.000 0.816 39 L CB 1.476 43.519 42.059 -0.027 0.000 1.287 39 L HN 0.379 nan 8.230 nan 0.000 0.435 40 K N 1.754 122.143 120.400 -0.018 0.000 2.414 40 K HA 0.052 4.372 4.320 -0.000 0.000 0.272 40 K C -0.179 176.419 176.600 -0.003 0.000 0.993 40 K CA 0.126 56.407 56.287 -0.011 0.000 0.964 40 K CB 0.597 33.090 32.500 -0.012 0.000 0.925 40 K HN 0.541 nan 8.250 nan 0.000 0.487 41 E N 1.581 121.780 120.200 -0.002 0.000 2.313 41 E HA 0.183 4.533 4.350 -0.000 0.000 0.276 41 E C -1.010 175.596 176.600 0.010 0.000 1.031 41 E CA -0.571 55.831 56.400 0.003 0.000 0.857 41 E CB 0.858 30.557 29.700 -0.001 0.000 1.040 41 E HN 0.120 nan 8.360 nan 0.000 0.408 42 V N 5.637 125.565 119.914 0.023 0.000 2.417 42 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 42 V C -0.059 176.048 176.094 0.021 0.000 1.024 42 V CA -0.705 61.612 62.300 0.028 0.000 0.861 42 V CB 1.194 33.053 31.823 0.060 0.000 0.985 42 V HN 0.589 nan 8.190 nan 0.000 0.436 43 V N 3.098 123.015 119.914 0.006 0.000 2.864 43 V HA 0.700 4.820 4.120 -0.000 0.000 0.314 43 V C -0.536 175.550 176.094 -0.014 0.000 1.073 43 V CA -0.907 61.390 62.300 -0.006 0.000 0.956 43 V CB 2.074 33.888 31.823 -0.015 0.000 1.023 43 V HN 0.651 nan 8.190 nan 0.000 0.435 44 I N 3.200 123.755 120.570 -0.025 0.000 2.315 44 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 44 I C 0.731 176.819 176.117 -0.048 0.000 1.006 44 I CA -0.343 60.934 61.300 -0.037 0.000 1.265 44 I CB 1.821 39.790 38.000 -0.052 0.000 1.387 44 I HN 0.520 nan 8.210 nan 0.000 0.475 45 V N 3.664 123.556 119.914 -0.037 0.000 3.263 45 V HA 0.089 4.209 4.120 -0.000 0.000 0.248 45 V C 0.620 176.696 176.094 -0.030 0.000 1.145 45 V CA 0.589 62.869 62.300 -0.033 0.000 1.107 45 V CB 0.091 31.902 31.823 -0.019 0.000 0.797 45 V HN 0.860 nan 8.190 nan 0.000 0.467 46 S N -0.584 115.102 115.700 -0.024 0.000 2.570 46 S HA 0.848 5.318 4.470 -0.000 0.000 0.270 46 S C -0.997 173.609 174.600 0.010 0.000 1.149 46 S CA -0.072 58.129 58.200 0.002 0.000 0.837 46 S CB 2.406 65.627 63.200 0.034 0.000 1.124 46 S HN 0.810 nan 8.310 nan 0.000 0.465 47 A N 1.535 124.402 122.820 0.079 0.000 2.497 47 A HA 0.788 5.108 4.320 -0.000 0.000 0.280 47 A C -0.281 177.460 177.584 0.261 0.000 1.065 47 A CA -0.256 51.863 52.037 0.136 0.000 0.781 47 A CB 0.822 19.863 19.000 0.069 0.000 1.289 47 A HN 1.749 nan 8.150 nan 0.000 0.415 48 T N -0.130 114.513 114.554 0.149 0.000 2.907 48 T HA 0.898 5.248 4.350 -0.000 0.000 0.292 48 T C -0.418 174.338 174.700 0.093 0.000 1.043 48 T CA -0.845 61.325 62.100 0.117 0.000 1.003 48 T CB 1.765 70.683 68.868 0.083 0.000 1.084 48 T HN 1.254 nan 8.240 nan 0.000 0.483 49 R N -0.403 120.146 120.500 0.081 0.000 2.774 49 R HA 0.714 5.054 4.340 -0.000 0.000 0.272 49 R C -0.271 176.069 176.300 0.065 0.000 1.000 49 R CA -0.950 55.193 56.100 0.070 0.000 0.906 49 R CB 0.866 31.210 30.300 0.073 0.000 1.227 49 R HN 0.800 nan 8.270 nan 0.000 0.468 50 T N -0.728 113.860 114.554 0.057 0.000 2.766 50 T HA 0.356 4.706 4.350 -0.000 0.000 0.295 50 T C -2.069 172.670 174.700 0.065 0.000 1.024 50 T CA -1.310 60.823 62.100 0.055 0.000 1.018 50 T CB 0.596 69.488 68.868 0.041 0.000 1.002 50 T HN 0.409 nan 8.240 nan 0.000 0.532 51 P HA 0.322 nan 4.420 nan 0.000 0.272 51 P C -0.493 176.832 177.300 0.042 0.000 1.240 51 P CA -0.476 62.666 63.100 0.069 0.000 0.791 51 P CB 0.231 31.948 31.700 0.029 0.000 0.978 52 I N 0.694 121.288 120.570 0.040 0.000 2.325 52 I HA 0.362 4.532 4.170 -0.000 0.000 0.291 52 I C 1.157 177.289 176.117 0.025 0.000 1.019 52 I CA 0.035 61.357 61.300 0.037 0.000 1.302 52 I CB 0.722 38.749 38.000 0.046 0.000 1.401 52 I HN 0.301 nan 8.210 nan 0.000 0.485 53 G N 3.903 112.719 108.800 0.026 0.000 2.412 53 G HA2 0.438 4.398 3.960 -0.000 0.000 0.318 53 G HA3 0.438 4.398 3.960 -0.000 0.000 0.318 53 G C -0.406 174.522 174.900 0.046 0.000 1.146 53 G CA -0.354 44.758 45.100 0.019 0.000 0.882 53 G HN 0.547 nan 8.290 nan 0.000 0.501 54 S N -0.203 115.523 115.700 0.043 0.000 2.593 54 S HA 0.249 4.719 4.470 -0.000 0.000 0.269 54 S C -0.066 174.612 174.600 0.130 0.000 1.334 54 S CA -0.400 57.853 58.200 0.087 0.000 1.015 54 S CB 0.674 63.912 63.200 0.063 0.000 0.912 54 S HN 0.430 nan 8.310 nan 0.000 0.541 55 F N 2.799 122.754 119.950 0.008 0.000 2.612 55 F HA 0.070 4.597 4.527 -0.000 0.000 0.389 55 F C 1.051 176.853 175.800 0.004 0.000 1.055 55 F CA -0.191 57.813 58.000 0.006 0.000 1.232 55 F CB -0.761 38.249 39.000 0.016 0.000 1.044 55 F HN 0.525 nan 8.300 nan 0.000 0.560 56 L N 4.307 125.229 121.223 -0.502 0.000 4.179 56 L HA -0.315 4.025 4.340 -0.000 0.000 0.418 56 L C 1.032 177.799 176.870 -0.172 0.000 1.168 56 L CA 0.519 55.115 54.840 -0.406 0.000 0.972 56 L CB -2.296 39.457 42.059 -0.510 0.000 2.005 56 L HN 0.838 nan 8.230 nan 0.000 0.935 57 G N -0.322 108.421 108.800 -0.095 0.000 3.075 57 G HA2 0.352 4.312 3.960 -0.000 0.000 0.156 57 G HA3 0.352 4.312 3.960 -0.000 0.000 0.156 57 G C 1.029 175.901 174.900 -0.047 0.000 1.403 57 G CA 0.446 45.515 45.100 -0.051 0.000 1.033 57 G HN 0.298 nan 8.290 nan 0.000 0.589 58 S N -0.698 114.980 115.700 -0.036 0.000 2.423 58 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 58 S C 1.775 176.357 174.600 -0.029 0.000 1.014 58 S CA 0.863 59.041 58.200 -0.036 0.000 0.965 58 S CB -0.198 62.977 63.200 -0.041 0.000 0.785 58 S HN 0.251 nan 8.310 nan 0.000 0.495 59 L N 1.981 123.191 121.223 -0.022 0.000 2.857 59 L HA 0.287 4.627 4.340 -0.000 0.000 0.249 59 L C 2.054 178.912 176.870 -0.019 0.000 1.172 59 L CA 0.348 55.180 54.840 -0.015 0.000 0.980 59 L CB 0.042 42.100 42.059 -0.002 0.000 1.299 59 L HN 0.413 nan 8.230 nan 0.000 0.535 60 S N -0.244 115.434 115.700 -0.036 0.000 2.447 60 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 60 S C 1.636 176.209 174.600 -0.044 0.000 1.006 60 S CA 0.694 58.862 58.200 -0.053 0.000 0.957 60 S CB -0.283 62.857 63.200 -0.099 0.000 0.773 60 S HN 0.466 nan 8.310 nan 0.000 0.507 61 L N 0.553 121.756 121.223 -0.034 0.000 2.552 61 L HA 0.308 4.648 4.340 -0.000 0.000 0.227 61 L C 0.245 177.105 176.870 -0.017 0.000 1.146 61 L CA 0.237 55.061 54.840 -0.026 0.000 0.858 61 L CB -0.253 41.791 42.059 -0.024 0.000 0.969 61 L HN 0.279 nan 8.230 nan 0.000 0.451 62 L N 1.020 122.235 121.223 -0.013 0.000 2.282 62 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 62 L C -2.191 174.678 176.870 -0.003 0.000 1.033 62 L CA -2.101 52.736 54.840 -0.006 0.000 0.807 62 L CB 1.050 43.108 42.059 -0.002 0.000 1.209 62 L HN -0.220 nan 8.230 nan 0.000 0.423 63 P HA 0.060 nan 4.420 nan 0.000 0.272 63 P C 0.401 177.704 177.300 0.004 0.000 1.223 63 P CA -0.210 62.890 63.100 0.001 0.000 0.784 63 P CB 0.960 32.661 31.700 0.001 0.000 0.923 64 A N 2.571 125.394 122.820 0.005 0.000 1.948 64 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 64 A C 2.014 179.603 177.584 0.009 0.000 1.177 64 A CA 2.739 54.780 52.037 0.007 0.000 0.636 64 A CB -2.122 16.881 19.000 0.004 0.000 0.815 64 A HN 0.664 nan 8.150 nan 0.000 0.449 65 T N -2.109 112.449 114.554 0.008 0.000 2.833 65 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 65 T C 1.818 176.525 174.700 0.011 0.000 1.054 65 T CA 1.778 63.885 62.100 0.010 0.000 1.135 65 T CB -0.205 68.668 68.868 0.009 0.000 0.869 65 T HN 0.399 nan 8.240 nan 0.000 0.466 66 K N 1.314 121.720 120.400 0.009 0.000 2.057 66 K HA 0.179 4.499 4.320 -0.000 0.000 0.206 66 K C 2.216 178.823 176.600 0.013 0.000 1.050 66 K CA 1.010 57.303 56.287 0.010 0.000 0.935 66 K CB -0.795 31.709 32.500 0.007 0.000 0.715 66 K HN 0.459 nan 8.250 nan 0.000 0.439 67 L N -0.371 120.861 121.223 0.014 0.000 2.046 67 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 67 L C 2.453 179.336 176.870 0.021 0.000 1.077 67 L CA 1.505 56.355 54.840 0.018 0.000 0.747 67 L CB -1.059 41.011 42.059 0.018 0.000 0.896 67 L HN 0.442 nan 8.230 nan 0.000 0.432 68 G N -0.712 108.100 108.800 0.020 0.000 2.446 68 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.217 68 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.217 68 G C 1.748 176.661 174.900 0.022 0.000 1.168 68 G CA 1.058 46.171 45.100 0.022 0.000 0.771 68 G HN 0.345 nan 8.290 nan 0.000 0.551 69 S N 0.437 116.149 115.700 0.019 0.000 2.370 69 S HA -0.071 4.399 4.470 -0.000 0.000 0.226 69 S C 2.292 176.903 174.600 0.019 0.000 1.033 69 S CA 1.057 59.267 58.200 0.017 0.000 1.011 69 S CB -0.227 62.981 63.200 0.014 0.000 0.852 69 S HN 0.391 nan 8.310 nan 0.000 0.457 70 I N 1.457 122.040 120.570 0.020 0.000 2.226 70 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 70 I C 2.592 178.727 176.117 0.029 0.000 1.100 70 I CA 1.165 62.479 61.300 0.023 0.000 1.374 70 I CB -0.380 37.634 38.000 0.023 0.000 1.057 70 I HN 0.263 nan 8.210 nan 0.000 0.413 71 A N 0.665 123.503 122.820 0.031 0.000 1.929 71 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 71 A C 2.289 179.894 177.584 0.034 0.000 1.176 71 A CA 1.241 53.300 52.037 0.037 0.000 0.628 71 A CB -0.692 18.332 19.000 0.041 0.000 0.816 71 A HN 0.367 nan 8.150 nan 0.000 0.444 72 I N -0.838 119.749 120.570 0.028 0.000 2.252 72 I HA -0.277 3.893 4.170 -0.000 0.000 0.245 72 I C 2.787 178.917 176.117 0.021 0.000 1.102 72 I CA 1.701 63.015 61.300 0.023 0.000 1.385 72 I CB -0.333 37.678 38.000 0.019 0.000 1.064 72 I HN 0.489 nan 8.210 nan 0.000 0.414 73 Q N 0.933 120.745 119.800 0.021 0.000 2.050 73 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 73 Q C 2.254 178.268 176.000 0.023 0.000 0.980 73 Q CA 1.956 57.770 55.803 0.019 0.000 0.840 73 Q CB -0.306 28.443 28.738 0.018 0.000 0.898 73 Q HN 0.555 nan 8.270 nan 0.000 0.424 74 G N 0.195 109.013 108.800 0.029 0.000 2.440 74 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 74 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 74 G C 1.432 176.355 174.900 0.038 0.000 1.154 74 G CA 0.925 46.045 45.100 0.035 0.000 0.767 74 G HN 0.501 nan 8.290 nan 0.000 0.552 75 A N 0.553 123.396 122.820 0.039 0.000 1.930 75 A HA 0.101 4.421 4.320 -0.000 0.000 0.217 75 A C 2.394 179.996 177.584 0.029 0.000 1.175 75 A CA 1.242 53.304 52.037 0.041 0.000 0.627 75 A CB -0.298 18.725 19.000 0.039 0.000 0.815 75 A HN 0.385 nan 8.150 nan 0.000 0.443 76 I N -0.645 119.938 120.570 0.021 0.000 2.315 76 I HA -0.221 3.948 4.170 -0.000 0.000 0.248 76 I C 2.436 178.563 176.117 0.016 0.000 1.117 76 I CA 1.355 62.664 61.300 0.014 0.000 1.404 76 I CB -0.392 37.614 38.000 0.009 0.000 1.071 76 I HN 0.380 nan 8.210 nan 0.000 0.419 77 E N 0.868 121.080 120.200 0.020 0.000 2.038 77 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 77 E C 2.095 178.708 176.600 0.023 0.000 1.000 77 E CA 1.445 57.857 56.400 0.020 0.000 0.803 77 E CB 0.018 29.731 29.700 0.022 0.000 0.750 77 E HN 0.188 nan 8.360 nan 0.000 0.448 78 K N 0.178 120.596 120.400 0.030 0.000 2.148 78 K HA -0.043 4.277 4.320 -0.000 0.000 0.204 78 K C 1.696 178.314 176.600 0.030 0.000 1.050 78 K CA 1.053 57.363 56.287 0.037 0.000 0.942 78 K CB -0.189 32.346 32.500 0.058 0.000 0.724 78 K HN 0.129 nan 8.250 nan 0.000 0.446 79 A N -0.252 122.581 122.820 0.023 0.000 2.067 79 A HA 0.114 4.434 4.320 -0.000 0.000 0.219 79 A C 1.428 179.016 177.584 0.008 0.000 1.158 79 A CA 1.156 53.201 52.037 0.012 0.000 0.661 79 A CB -0.724 18.280 19.000 0.007 0.000 0.801 79 A HN 0.377 nan 8.150 nan 0.000 0.452 80 G N -0.472 108.334 108.800 0.010 0.000 2.221 80 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.265 80 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.265 80 G C 0.101 175.003 174.900 0.004 0.000 1.041 80 G CA 0.565 45.669 45.100 0.007 0.000 0.807 80 G HN 1.454 nan 8.290 nan 0.000 0.502 81 I N -3.145 117.427 120.570 0.004 0.000 2.846 81 I HA 0.825 4.994 4.170 -0.000 0.000 0.307 81 I C -2.302 173.816 176.117 0.002 0.000 1.053 81 I CA -3.376 57.924 61.300 0.001 0.000 1.050 81 I CB 1.729 39.728 38.000 -0.001 0.000 1.239 81 I HN -0.131 nan 8.210 nan 0.000 0.439 82 P HA 0.215 nan 4.420 nan 0.000 0.271 82 P C -0.123 177.177 177.300 -0.000 0.000 1.216 82 P CA -0.327 62.773 63.100 0.001 0.000 0.771 82 P CB 0.739 32.439 31.700 -0.000 0.000 0.864 83 K N 1.476 121.877 120.400 0.001 0.000 2.152 83 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 83 K C 1.302 177.900 176.600 -0.002 0.000 1.048 83 K CA 1.550 57.838 56.287 0.000 0.000 0.933 83 K CB -0.055 32.446 32.500 0.002 0.000 0.721 83 K HN 0.469 nan 8.250 nan 0.000 0.447 84 E N 0.650 120.849 120.200 -0.002 0.000 2.338 84 E HA -0.136 4.214 4.350 -0.000 0.000 0.197 84 E C 1.469 178.066 176.600 -0.005 0.000 1.007 84 E CA 0.722 57.120 56.400 -0.003 0.000 0.849 84 E CB 0.056 29.755 29.700 -0.001 0.000 0.774 84 E HN 0.192 nan 8.360 nan 0.000 0.506 85 E N 0.039 120.236 120.200 -0.006 0.000 2.274 85 E HA -0.021 4.328 4.350 -0.000 0.000 0.194 85 E C 0.021 176.613 176.600 -0.013 0.000 0.996 85 E CA 0.209 56.605 56.400 -0.008 0.000 0.840 85 E CB 0.211 29.907 29.700 -0.007 0.000 0.772 85 E HN 0.068 nan 8.360 nan 0.000 0.491 86 V N 3.222 123.127 119.914 -0.015 0.000 2.439 86 V HA -0.013 4.107 4.120 -0.000 0.000 0.271 86 V C 1.297 177.375 176.094 -0.027 0.000 1.040 86 V CA 0.238 62.523 62.300 -0.024 0.000 1.002 86 V CB 1.010 32.820 31.823 -0.021 0.000 1.000 86 V HN -0.009 nan 8.190 nan 0.000 0.477 87 K N 3.206 123.583 120.400 -0.037 0.000 2.242 87 K HA 0.250 4.570 4.320 -0.000 0.000 0.200 87 K C 0.596 177.169 176.600 -0.045 0.000 1.050 87 K CA 0.461 56.728 56.287 -0.034 0.000 0.981 87 K CB 0.672 33.154 32.500 -0.029 0.000 0.795 87 K HN 0.793 nan 8.250 nan 0.000 0.477 88 E N -1.062 119.090 120.200 -0.081 0.000 2.390 88 E HA 0.550 4.899 4.350 -0.000 0.000 0.280 88 E C -1.984 174.518 176.600 -0.164 0.000 0.992 88 E CA -0.598 55.734 56.400 -0.112 0.000 0.790 88 E CB 2.069 31.676 29.700 -0.155 0.000 1.248 88 E HN 0.020 nan 8.360 nan 0.000 0.447 89 A N 2.447 125.195 122.820 -0.122 0.000 2.422 89 A HA 0.679 4.999 4.320 -0.000 0.000 0.302 89 A C -1.986 175.637 177.584 0.065 0.000 1.041 89 A CA -0.515 51.473 52.037 -0.081 0.000 0.708 89 A CB 0.839 19.834 19.000 -0.007 0.000 1.257 89 A HN 0.429 nan 8.150 nan 0.000 0.414 90 Y N 1.896 122.194 120.300 -0.003 0.000 2.341 90 Y HA 0.680 5.230 4.550 -0.000 0.000 0.338 90 Y C -0.029 175.866 175.900 -0.008 0.000 0.965 90 Y CA -1.844 56.252 58.100 -0.007 0.000 1.108 90 Y CB 1.867 40.318 38.460 -0.015 0.000 1.180 90 Y HN 0.508 nan 8.280 nan 0.000 0.458 91 M N 2.508 122.194 119.600 0.142 0.000 2.259 91 M HA 0.425 4.905 4.480 -0.000 0.000 0.304 91 M C 0.357 176.680 176.300 0.038 0.000 1.019 91 M CA -0.797 54.548 55.300 0.074 0.000 0.922 91 M CB 1.921 34.553 32.600 0.053 0.000 1.600 91 M HN 0.782 nan 8.290 nan 0.000 0.433 92 G N 2.164 110.979 108.800 0.026 0.000 2.483 92 G HA2 0.374 4.334 3.960 -0.000 0.000 0.248 92 G HA3 0.374 4.334 3.960 -0.000 0.000 0.248 92 G C -0.311 174.589 174.900 -0.000 0.000 1.248 92 G CA -0.255 44.847 45.100 0.004 0.000 0.838 92 G HN 0.874 nan 8.290 nan 0.000 0.566 93 N N 1.416 120.107 118.700 -0.014 0.000 3.429 93 N HA 0.011 4.751 4.740 -0.000 0.000 0.221 93 N C 0.178 175.669 175.510 -0.031 0.000 1.195 93 N CA -0.649 52.389 53.050 -0.019 0.000 0.938 93 N CB 1.300 39.781 38.487 -0.010 0.000 1.609 93 N HN 0.149 nan 8.380 nan 0.000 0.704 94 V N 2.979 122.867 119.914 -0.044 0.000 2.500 94 V HA 0.133 4.253 4.120 -0.000 0.000 0.243 94 V C 0.773 176.834 176.094 -0.055 0.000 1.039 94 V CA 0.894 63.161 62.300 -0.056 0.000 1.053 94 V CB -0.015 31.761 31.823 -0.079 0.000 0.695 94 V HN 0.567 nan 8.190 nan 0.000 0.463 95 L N 0.803 121.994 121.223 -0.053 0.000 2.371 95 L HA 0.372 4.712 4.340 -0.000 0.000 0.262 95 L C 0.789 177.637 176.870 -0.036 0.000 1.054 95 L CA 0.094 54.903 54.840 -0.050 0.000 0.924 95 L CB 0.932 42.954 42.059 -0.061 0.000 1.295 95 L HN 0.181 nan 8.230 nan 0.000 0.441 96 Q N 1.390 121.172 119.800 -0.030 0.000 2.408 96 Q HA 0.126 4.465 4.340 -0.000 0.000 0.205 96 Q C 1.314 177.304 176.000 -0.017 0.000 0.919 96 Q CA -0.044 55.747 55.803 -0.021 0.000 0.932 96 Q CB 0.591 29.318 28.738 -0.018 0.000 1.058 96 Q HN 0.755 nan 8.270 nan 0.000 0.517 97 G N 0.232 109.020 108.800 -0.020 0.000 2.202 97 G HA2 0.258 4.218 3.960 -0.000 0.000 0.251 97 G HA3 0.258 4.218 3.960 -0.000 0.000 0.251 97 G C 0.854 175.748 174.900 -0.010 0.000 1.219 97 G CA 0.365 45.456 45.100 -0.015 0.000 0.943 97 G HN 0.366 nan 8.290 nan 0.000 0.465 98 G N 1.921 110.719 108.800 -0.003 0.000 2.176 98 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.253 98 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.253 98 G C 0.822 175.722 174.900 0.001 0.000 0.979 98 G CA 0.579 45.680 45.100 0.001 0.000 0.641 98 G HN 0.687 nan 8.290 nan 0.000 0.530 99 E N 0.280 120.479 120.200 -0.002 0.000 2.481 99 E HA 0.400 4.750 4.350 -0.000 0.000 0.195 99 E C 1.507 178.108 176.600 0.001 0.000 1.047 99 E CA 0.440 56.839 56.400 -0.001 0.000 0.867 99 E CB 0.200 29.899 29.700 -0.002 0.000 0.858 99 E HN 1.559 nan 8.360 nan 0.000 0.513 100 G N 1.655 110.456 108.800 0.002 0.000 2.712 100 G HA2 -0.275 3.684 3.960 -0.000 0.000 0.683 100 G HA3 -0.275 3.684 3.960 -0.000 0.000 0.683 100 G C -0.682 174.220 174.900 0.003 0.000 1.320 100 G CA -0.742 44.359 45.100 0.003 0.000 0.847 100 G HN 0.173 nan 8.290 nan 0.000 0.553 101 Q N 0.093 119.895 119.800 0.003 0.000 2.330 101 Q HA 0.453 4.793 4.340 -0.000 0.000 0.279 101 Q C 1.058 177.061 176.000 0.005 0.000 1.024 101 Q CA 0.879 56.684 55.803 0.004 0.000 0.900 101 Q CB 0.286 29.026 28.738 0.004 0.000 1.221 101 Q HN 2.453 nan 8.270 nan 0.000 0.396 102 A N 4.754 127.578 122.820 0.005 0.000 2.136 102 A HA -0.137 4.183 4.320 -0.000 0.000 0.274 102 A C -1.973 175.618 177.584 0.011 0.000 1.388 102 A CA 0.117 52.159 52.037 0.009 0.000 0.741 102 A CB -1.185 17.822 19.000 0.012 0.000 1.173 102 A HN 0.787 nan 8.150 nan 0.000 0.329 103 P HA -0.183 nan 4.420 nan 0.000 0.216 103 P C 1.821 179.131 177.300 0.016 0.000 1.157 103 P CA 2.147 65.252 63.100 0.010 0.000 0.880 103 P CB -0.041 31.663 31.700 0.006 0.000 0.791 104 T N -0.789 113.778 114.554 0.023 0.000 2.746 104 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 104 T C 1.897 176.615 174.700 0.031 0.000 1.039 104 T CA 1.545 63.665 62.100 0.034 0.000 1.142 104 T CB -0.540 68.360 68.868 0.053 0.000 0.866 104 T HN 0.022 nan 8.240 nan 0.000 0.444 105 R N 1.338 121.854 120.500 0.027 0.000 2.091 105 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 105 R C 2.446 178.756 176.300 0.017 0.000 1.136 105 R CA 1.636 57.750 56.100 0.023 0.000 0.959 105 R CB -0.449 29.862 30.300 0.020 0.000 0.856 105 R HN 0.506 nan 8.270 nan 0.000 0.437 106 Q N -0.859 118.950 119.800 0.015 0.000 2.084 106 Q HA -0.114 4.225 4.340 -0.000 0.000 0.202 106 Q C 2.126 178.134 176.000 0.013 0.000 0.978 106 Q CA 1.669 57.480 55.803 0.012 0.000 0.844 106 Q CB -0.213 28.532 28.738 0.010 0.000 0.898 106 Q HN 0.478 nan 8.270 nan 0.000 0.426 107 A N 0.343 123.172 122.820 0.016 0.000 1.898 107 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 107 A C 2.343 179.936 177.584 0.016 0.000 1.181 107 A CA 1.247 53.294 52.037 0.016 0.000 0.620 107 A CB -0.666 18.346 19.000 0.020 0.000 0.819 107 A HN 0.196 nan 8.150 nan 0.000 0.442 108 V N 0.198 120.122 119.914 0.017 0.000 2.244 108 V HA -0.240 3.880 4.120 -0.000 0.000 0.244 108 V C 2.567 178.668 176.094 0.011 0.000 1.042 108 V CA 1.983 64.291 62.300 0.014 0.000 1.006 108 V CB -0.759 31.073 31.823 0.015 0.000 0.641 108 V HN 0.570 nan 8.190 nan 0.000 0.446 109 L N 0.379 121.608 121.223 0.011 0.000 2.131 109 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 109 L C 2.547 179.422 176.870 0.009 0.000 1.092 109 L CA 1.557 56.402 54.840 0.009 0.000 0.759 109 L CB -1.062 41.002 42.059 0.009 0.000 0.903 109 L HN 0.505 nan 8.230 nan 0.000 0.435 110 G N -0.493 108.313 108.800 0.010 0.000 2.443 110 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.219 110 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.219 110 G C 1.557 176.463 174.900 0.010 0.000 1.131 110 G CA 0.646 45.752 45.100 0.009 0.000 0.775 110 G HN 0.458 nan 8.290 nan 0.000 0.547 111 A N -0.351 122.476 122.820 0.011 0.000 2.251 111 A HA 0.480 4.800 4.320 -0.000 0.000 0.209 111 A C 1.910 179.500 177.584 0.009 0.000 1.187 111 A CA 1.203 53.246 52.037 0.011 0.000 0.823 111 A CB -0.378 18.629 19.000 0.012 0.000 0.846 111 A HN 1.523 nan 8.150 nan 0.000 0.486 112 G N -1.436 107.369 108.800 0.008 0.000 2.137 112 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.237 112 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.237 112 G C -0.137 174.766 174.900 0.006 0.000 1.002 112 G CA 0.218 45.322 45.100 0.007 0.000 0.702 112 G HN 0.324 nan 8.290 nan 0.000 0.515 113 L N 0.719 121.946 121.223 0.005 0.000 2.439 113 L HA 0.560 4.900 4.340 -0.000 0.000 0.261 113 L C -1.437 175.436 176.870 0.003 0.000 1.153 113 L CA -1.801 53.042 54.840 0.004 0.000 0.808 113 L CB 0.144 42.204 42.059 0.002 0.000 1.126 113 L HN -0.086 nan 8.230 nan 0.000 0.460 114 P HA 0.012 nan 4.420 nan 0.000 0.267 114 P C 0.889 178.190 177.300 0.003 0.000 1.200 114 P CA -0.245 62.856 63.100 0.002 0.000 0.772 114 P CB 0.305 32.006 31.700 0.001 0.000 0.855 115 I N 0.322 120.894 120.570 0.004 0.000 3.241 115 I HA -0.103 4.067 4.170 -0.000 0.000 0.280 115 I C 0.816 176.936 176.117 0.005 0.000 1.320 115 I CA 1.541 62.843 61.300 0.005 0.000 1.413 115 I CB -1.690 36.313 38.000 0.005 0.000 1.060 115 I HN 0.191 nan 8.210 nan 0.000 0.500 116 S N -0.049 115.653 115.700 0.003 0.000 2.575 116 S HA 0.101 4.570 4.470 -0.000 0.000 0.215 116 S C 0.781 175.383 174.600 0.003 0.000 0.966 116 S CA -0.365 57.837 58.200 0.003 0.000 0.911 116 S CB -0.935 62.266 63.200 0.001 0.000 0.780 116 S HN 0.474 nan 8.310 nan 0.000 0.514 117 T N 5.291 119.847 114.554 0.003 0.000 2.727 117 T HA 0.376 4.726 4.350 -0.000 0.000 0.295 117 T C -2.630 172.076 174.700 0.009 0.000 0.915 117 T CA -1.030 61.070 62.100 0.001 0.000 1.066 117 T CB 0.652 69.520 68.868 -0.001 0.000 0.891 117 T HN 0.223 nan 8.240 nan 0.000 0.516 118 P HA 0.390 nan 4.420 nan 0.000 0.271 118 P C -0.817 176.512 177.300 0.049 0.000 1.218 118 P CA -0.542 62.577 63.100 0.031 0.000 0.780 118 P CB 0.476 32.198 31.700 0.037 0.000 0.901 119 C N 1.374 120.717 119.300 0.072 0.000 2.609 119 C HA 0.677 5.137 4.460 -0.000 0.000 0.313 119 C C -0.423 174.640 174.990 0.121 0.000 1.175 119 C CA -0.172 58.905 59.018 0.098 0.000 1.434 119 C CB 1.692 29.468 27.740 0.061 0.000 2.005 119 C HN 0.505 nan 8.230 nan 0.000 0.471 120 T N 1.880 116.542 114.554 0.180 0.000 2.916 120 T HA 0.524 4.874 4.350 -0.000 0.000 0.298 120 T C -0.487 174.239 174.700 0.045 0.000 1.031 120 T CA -0.309 61.840 62.100 0.082 0.000 0.993 120 T CB 1.758 70.617 68.868 -0.013 0.000 1.045 120 T HN 0.639 nan 8.240 nan 0.000 0.454 121 T N 3.857 118.408 114.554 -0.004 0.000 2.795 121 T HA 0.568 4.917 4.350 -0.000 0.000 0.282 121 T C -0.225 174.444 174.700 -0.052 0.000 0.980 121 T CA -0.690 61.403 62.100 -0.011 0.000 1.012 121 T CB 0.450 69.315 68.868 -0.005 0.000 0.936 121 T HN 0.306 nan 8.240 nan 0.000 0.457 122 I N 3.644 124.183 120.570 -0.051 0.000 2.433 122 I HA 0.440 4.609 4.170 -0.000 0.000 0.292 122 I C -0.019 176.069 176.117 -0.049 0.000 1.001 122 I CA -1.026 60.229 61.300 -0.075 0.000 1.119 122 I CB 1.612 39.558 38.000 -0.089 0.000 1.289 122 I HN 0.555 nan 8.210 nan 0.000 0.438 123 N N 5.368 124.038 118.700 -0.050 0.000 2.576 123 N HA 0.218 4.958 4.740 -0.000 0.000 0.269 123 N C -0.570 174.919 175.510 -0.034 0.000 1.058 123 N CA -0.248 52.778 53.050 -0.039 0.000 0.860 123 N CB 1.126 39.590 38.487 -0.038 0.000 1.249 123 N HN 0.581 nan 8.380 nan 0.000 0.525 124 K N 4.164 124.547 120.400 -0.028 0.000 3.045 124 K HA 0.224 4.544 4.320 -0.000 0.000 0.211 124 K C 0.147 176.735 176.600 -0.019 0.000 1.141 124 K CA -0.412 55.864 56.287 -0.018 0.000 1.036 124 K CB -0.117 32.377 32.500 -0.010 0.000 0.851 124 K HN 0.335 nan 8.250 nan 0.000 0.462 125 V N -1.261 118.632 119.914 -0.035 0.000 0.690 125 V HA -0.579 3.541 4.120 -0.000 0.000 0.092 125 V C 1.686 177.755 176.094 -0.042 0.000 0.781 125 V CA 1.816 64.084 62.300 -0.054 0.000 3.099 125 V CB -1.751 30.029 31.823 -0.072 0.000 0.189 125 V HN 0.624 nan 8.190 nan 0.000 0.087 126 C N 1.085 120.364 119.300 -0.034 0.000 2.419 126 C HA 0.253 4.713 4.460 -0.000 0.000 0.283 126 C C 2.691 177.717 174.990 0.061 0.000 1.373 126 C CA 0.820 59.854 59.018 0.027 0.000 1.781 126 C CB -1.984 25.801 27.740 0.075 0.000 1.886 126 C HN 1.114 nan 8.230 nan 0.000 0.520 127 A N 0.823 123.664 122.820 0.035 0.000 2.208 127 A HA 0.072 4.391 4.320 -0.000 0.000 0.209 127 A C 2.112 179.707 177.584 0.019 0.000 1.161 127 A CA 1.036 53.095 52.037 0.038 0.000 0.782 127 A CB -0.494 18.529 19.000 0.038 0.000 0.816 127 A HN 0.499 nan 8.150 nan 0.000 0.477 128 S N 0.261 115.965 115.700 0.007 0.000 2.381 128 S HA -0.224 4.246 4.470 -0.000 0.000 0.230 128 S C 2.048 176.650 174.600 0.002 0.000 1.052 128 S CA 1.690 59.887 58.200 -0.006 0.000 1.068 128 S CB -0.665 62.527 63.200 -0.014 0.000 0.918 128 S HN 0.786 nan 8.310 nan 0.000 0.448 129 G N 0.558 109.368 108.800 0.017 0.000 2.432 129 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.219 129 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.219 129 G C 1.354 176.263 174.900 0.014 0.000 1.135 129 G CA 0.901 46.015 45.100 0.024 0.000 0.767 129 G HN 0.459 nan 8.290 nan 0.000 0.550 130 M N -0.388 119.218 119.600 0.010 0.000 2.160 130 M HA 0.150 4.630 4.480 -0.000 0.000 0.264 130 M C 2.487 178.755 176.300 -0.055 0.000 1.073 130 M CA 1.473 56.766 55.300 -0.011 0.000 1.142 130 M CB 0.061 32.667 32.600 0.010 0.000 1.358 130 M HN 0.145 nan 8.290 nan 0.000 0.422 131 K N 0.966 121.341 120.400 -0.042 0.000 2.103 131 K HA -0.054 4.266 4.320 -0.000 0.000 0.207 131 K C 1.666 178.223 176.600 -0.071 0.000 1.048 131 K CA 1.833 58.079 56.287 -0.068 0.000 0.930 131 K CB -0.648 31.827 32.500 -0.041 0.000 0.716 131 K HN 0.418 nan 8.250 nan 0.000 0.444 132 A N 0.690 123.493 122.820 -0.028 0.000 1.883 132 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 132 A C 2.255 179.874 177.584 0.059 0.000 1.186 132 A CA 1.936 53.995 52.037 0.037 0.000 0.624 132 A CB -0.722 18.317 19.000 0.064 0.000 0.822 132 A HN 0.352 nan 8.150 nan 0.000 0.444 133 I N -0.978 119.579 120.570 -0.022 0.000 2.226 133 I HA -0.308 3.861 4.170 -0.000 0.000 0.245 133 I C 2.724 178.724 176.117 -0.195 0.000 1.100 133 I CA 1.607 62.866 61.300 -0.069 0.000 1.374 133 I CB -0.357 37.601 38.000 -0.069 0.000 1.057 133 I HN 0.333 nan 8.210 nan 0.000 0.413 134 M N -0.318 119.070 119.600 -0.353 0.000 2.080 134 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 134 M C 2.408 178.461 176.300 -0.413 0.000 1.068 134 M CA 2.069 56.896 55.300 -0.789 0.000 1.109 134 M CB -0.332 31.816 32.600 -0.752 0.000 1.342 134 M HN 0.198 nan 8.290 nan 0.000 0.405 135 M N -0.635 118.893 119.600 -0.121 0.000 2.200 135 M HA -0.072 4.407 4.480 -0.000 0.000 0.265 135 M C 2.454 178.908 176.300 0.257 0.000 1.066 135 M CA 1.413 56.750 55.300 0.063 0.000 1.127 135 M CB -0.525 32.074 32.600 -0.001 0.000 1.379 135 M HN 0.355 nan 8.290 nan 0.000 0.420 136 A N -0.009 122.967 122.820 0.261 0.000 1.908 136 A HA -0.156 4.163 4.320 -0.000 0.000 0.218 136 A C 2.301 179.892 177.584 0.012 0.000 1.181 136 A CA 2.198 54.264 52.037 0.048 0.000 0.627 136 A CB -0.872 18.090 19.000 -0.064 0.000 0.818 136 A HN 0.431 nan 8.150 nan 0.000 0.445 137 S N -0.363 115.336 115.700 -0.002 0.000 2.370 137 S HA -0.238 4.232 4.470 -0.000 0.000 0.226 137 S C 2.096 176.770 174.600 0.123 0.000 1.033 137 S CA 1.720 59.955 58.200 0.058 0.000 1.011 137 S CB -0.345 62.908 63.200 0.089 0.000 0.852 137 S HN 0.715 nan 8.310 nan 0.000 0.457 138 Q N 0.408 120.295 119.800 0.144 0.000 2.119 138 Q HA -0.067 4.273 4.340 -0.000 0.000 0.201 138 Q C 2.459 178.499 176.000 0.066 0.000 0.972 138 Q CA 1.377 57.270 55.803 0.149 0.000 0.847 138 Q CB -0.258 28.580 28.738 0.168 0.000 0.903 138 Q HN 0.492 nan 8.270 nan 0.000 0.433 139 S N 0.221 115.971 115.700 0.083 0.000 2.356 139 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 139 S C 1.820 176.413 174.600 -0.012 0.000 1.032 139 S CA 0.845 59.082 58.200 0.062 0.000 1.005 139 S CB -0.083 63.177 63.200 0.100 0.000 0.867 139 S HN 0.194 nan 8.310 nan 0.000 0.449 140 L N 1.478 122.700 121.223 -0.002 0.000 2.012 140 L HA -0.000 4.340 4.340 -0.000 0.000 0.210 140 L C 2.624 179.481 176.870 -0.023 0.000 1.073 140 L CA 1.876 56.709 54.840 -0.011 0.000 0.748 140 L CB -0.880 41.178 42.059 -0.002 0.000 0.891 140 L HN 0.404 nan 8.230 nan 0.000 0.431 141 M N -2.045 117.551 119.600 -0.007 0.000 2.106 141 M HA -0.296 4.184 4.480 -0.000 0.000 0.259 141 M C 2.252 178.504 176.300 -0.081 0.000 1.068 141 M CA 1.570 56.858 55.300 -0.019 0.000 1.100 141 M CB -0.621 31.990 32.600 0.018 0.000 1.351 141 M HN 0.304 nan 8.290 nan 0.000 0.404 142 C N 0.161 119.355 119.300 -0.176 0.000 2.491 142 C HA 0.137 4.597 4.460 -0.000 0.000 0.277 142 C C 1.770 176.576 174.990 -0.307 0.000 1.455 142 C CA 0.625 59.429 59.018 -0.357 0.000 1.758 142 C CB -1.597 25.640 27.740 -0.839 0.000 1.745 142 C HN 0.877 nan 8.230 nan 0.000 0.558 143 G N -0.153 108.559 108.800 -0.146 0.000 2.153 143 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.252 143 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.252 143 G C 0.322 175.276 174.900 0.089 0.000 0.994 143 G CA 0.718 45.805 45.100 -0.022 0.000 0.698 143 G HN 0.749 nan 8.290 nan 0.000 0.521 144 H N -0.785 118.294 119.070 0.014 0.000 2.512 144 H HA 0.172 4.728 4.556 -0.000 0.000 0.279 144 H C 1.079 176.408 175.328 0.000 0.000 0.999 144 H CA 0.985 57.041 56.048 0.013 0.000 1.283 144 H CB 0.308 30.085 29.762 0.025 0.000 1.421 144 H HN 0.374 nan 8.280 nan 0.000 0.554 145 Q N 0.233 120.093 119.800 0.100 0.000 2.418 145 Q HA 0.041 4.381 4.340 -0.000 0.000 0.282 145 Q C -0.439 175.568 176.000 0.011 0.000 1.044 145 Q CA -0.293 55.531 55.803 0.034 0.000 0.813 145 Q CB 2.133 30.868 28.738 -0.005 0.000 1.428 145 Q HN 0.346 nan 8.270 nan 0.000 0.402 146 D N -1.073 119.327 120.400 0.000 0.000 2.388 146 D HA 0.106 4.746 4.640 -0.000 0.000 0.208 146 D C 0.212 176.502 176.300 -0.016 0.000 1.035 146 D CA 0.332 54.328 54.000 -0.005 0.000 0.875 146 D CB 0.882 41.682 40.800 -0.001 0.000 0.984 146 D HN 0.136 nan 8.370 nan 0.000 0.508 147 V N 0.969 120.868 119.914 -0.025 0.000 2.733 147 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 147 V C -0.544 175.517 176.094 -0.055 0.000 1.084 147 V CA -0.596 61.684 62.300 -0.033 0.000 0.905 147 V CB 1.975 33.784 31.823 -0.024 0.000 1.010 147 V HN 0.068 nan 8.190 nan 0.000 0.424 148 M N 3.470 123.029 119.600 -0.069 0.000 2.593 148 M HA 0.664 5.144 4.480 -0.000 0.000 0.290 148 M C -1.376 174.874 176.300 -0.083 0.000 1.244 148 M CA -0.907 54.328 55.300 -0.107 0.000 0.857 148 M CB 2.804 35.294 32.600 -0.183 0.000 1.738 148 M HN 0.358 nan 8.290 nan 0.000 0.461 149 V N 1.472 121.334 119.914 -0.088 0.000 2.483 149 V HA 0.885 5.005 4.120 -0.000 0.000 0.295 149 V C -0.569 175.494 176.094 -0.052 0.000 1.035 149 V CA -0.400 61.870 62.300 -0.051 0.000 0.896 149 V CB 1.578 33.386 31.823 -0.025 0.000 0.986 149 V HN 0.916 nan 8.190 nan 0.000 0.447 150 A N 3.322 126.131 122.820 -0.018 0.000 2.486 150 A HA 1.015 5.335 4.320 -0.000 0.000 0.300 150 A C -0.023 177.579 177.584 0.030 0.000 1.048 150 A CA 0.193 52.241 52.037 0.018 0.000 0.696 150 A CB 2.052 21.060 19.000 0.013 0.000 1.278 150 A HN 1.355 nan 8.150 nan 0.000 0.405 151 G N -0.271 108.557 108.800 0.047 0.000 2.512 151 G HA2 0.735 4.695 3.960 -0.000 0.000 0.186 151 G HA3 0.735 4.695 3.960 -0.000 0.000 0.186 151 G C -0.237 174.687 174.900 0.041 0.000 1.189 151 G CA 0.448 45.572 45.100 0.041 0.000 0.994 151 G HN 2.025 nan 8.290 nan 0.000 0.506 152 G N -0.594 108.228 108.800 0.037 0.000 2.673 152 G HA2 0.739 4.699 3.960 -0.000 0.000 0.292 152 G HA3 0.739 4.699 3.960 -0.000 0.000 0.292 152 G C -0.804 174.112 174.900 0.028 0.000 1.450 152 G CA 0.050 45.169 45.100 0.030 0.000 0.837 152 G HN 1.495 nan 8.290 nan 0.000 0.505 153 M N -0.339 119.272 119.600 0.018 0.000 2.465 153 M HA 0.914 5.394 4.480 -0.000 0.000 0.284 153 M C -1.768 174.533 176.300 0.003 0.000 1.212 153 M CA -0.968 54.341 55.300 0.015 0.000 0.910 153 M CB 2.773 35.383 32.600 0.017 0.000 1.725 153 M HN 0.484 nan 8.290 nan 0.000 0.477 154 E N 0.638 120.840 120.200 0.003 0.000 2.381 154 E HA 0.462 4.812 4.350 -0.000 0.000 0.286 154 E C -1.969 174.634 176.600 0.006 0.000 0.960 154 E CA -0.145 56.250 56.400 -0.007 0.000 0.793 154 E CB 2.487 32.169 29.700 -0.029 0.000 1.225 154 E HN 0.717 nan 8.360 nan 0.000 0.420 155 S N 4.902 120.607 115.700 0.008 0.000 2.406 155 S HA 0.288 4.757 4.470 -0.000 0.000 0.224 155 S C 0.645 175.271 174.600 0.042 0.000 1.426 155 S CA -0.354 57.860 58.200 0.023 0.000 1.179 155 S CB 0.069 63.277 63.200 0.014 0.000 1.042 155 S HN 0.694 nan 8.310 nan 0.000 0.479 156 M N 1.712 121.359 119.600 0.077 0.000 2.296 156 M HA -0.044 4.436 4.480 -0.000 0.000 0.265 156 M C 2.192 178.662 176.300 0.284 0.000 1.064 156 M CA 1.010 56.387 55.300 0.129 0.000 1.109 156 M CB -0.361 32.289 32.600 0.083 0.000 1.396 156 M HN 0.528 nan 8.290 nan 0.000 0.430 157 S N 0.946 116.777 115.700 0.218 0.000 2.402 157 S HA -0.103 4.367 4.470 -0.000 0.000 0.233 157 S C 1.397 175.989 174.600 -0.013 0.000 1.030 157 S CA 1.150 59.346 58.200 -0.005 0.000 1.003 157 S CB -0.346 62.790 63.200 -0.105 0.000 0.813 157 S HN 0.511 nan 8.310 nan 0.000 0.477 158 N N 0.789 119.500 118.700 0.017 0.000 2.236 158 N HA 0.146 4.886 4.740 -0.000 0.000 0.196 158 N C -0.470 175.038 175.510 -0.003 0.000 1.114 158 N CA 0.073 53.123 53.050 -0.000 0.000 0.859 158 N CB 0.537 39.022 38.487 -0.004 0.000 0.982 158 N HN 0.156 nan 8.380 nan 0.000 0.493 159 V N 4.630 124.544 119.914 0.001 0.000 2.485 159 V HA 0.076 4.196 4.120 -0.000 0.000 0.287 159 V C -1.439 174.591 176.094 -0.106 0.000 1.022 159 V CA -0.649 61.625 62.300 -0.043 0.000 1.067 159 V CB 0.525 32.318 31.823 -0.049 0.000 0.967 159 V HN 0.138 nan 8.190 nan 0.000 0.479 160 P HA 0.365 nan 4.420 nan 0.000 0.284 160 P C -1.237 175.944 177.300 -0.198 0.000 1.292 160 P CA -0.556 62.496 63.100 -0.081 0.000 0.800 160 P CB 0.833 32.541 31.700 0.013 0.000 1.188 161 Y N -1.265 119.049 120.300 0.022 0.000 2.453 161 Y HA 0.441 4.991 4.550 -0.000 0.000 0.326 161 Y C 0.727 176.633 175.900 0.010 0.000 1.186 161 Y CA -0.531 57.580 58.100 0.019 0.000 1.200 161 Y CB 1.387 39.859 38.460 0.020 0.000 1.247 161 Y HN 0.122 nan 8.280 nan 0.000 0.482 162 V N 0.423 120.433 119.914 0.161 0.000 2.864 162 V HA 0.659 4.778 4.120 -0.000 0.000 0.314 162 V C -0.706 175.434 176.094 0.076 0.000 1.073 162 V CA -1.164 61.189 62.300 0.089 0.000 0.956 162 V CB 2.021 33.871 31.823 0.046 0.000 1.023 162 V HN 0.858 nan 8.190 nan 0.000 0.435 163 M N 3.234 122.864 119.600 0.050 0.000 2.321 163 M HA 0.568 5.048 4.480 -0.000 0.000 0.315 163 M C -0.702 175.612 176.300 0.024 0.000 1.052 163 M CA -0.515 54.804 55.300 0.033 0.000 0.936 163 M CB 1.658 34.273 32.600 0.025 0.000 1.639 163 M HN 0.910 nan 8.290 nan 0.000 0.433 164 N N 3.298 122.010 118.700 0.019 0.000 2.329 164 N HA 0.037 4.777 4.740 -0.000 0.000 0.237 164 N C -0.492 175.026 175.510 0.013 0.000 1.258 164 N CA 0.251 53.310 53.050 0.014 0.000 0.866 164 N CB 0.404 38.898 38.487 0.013 0.000 1.102 164 N HN 0.607 nan 8.380 nan 0.000 0.440 165 R N 0.297 120.804 120.500 0.011 0.000 2.539 165 R HA 0.463 4.803 4.340 -0.000 0.000 0.275 165 R C 0.628 176.934 176.300 0.010 0.000 1.077 165 R CA 0.459 56.565 56.100 0.010 0.000 1.097 165 R CB 0.022 30.327 30.300 0.008 0.000 1.018 165 R HN 0.757 nan 8.270 nan 0.000 0.483 166 G N 1.168 109.974 108.800 0.010 0.000 2.297 166 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.209 166 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.209 166 G C -1.304 173.604 174.900 0.013 0.000 1.267 166 G CA -0.279 44.827 45.100 0.011 0.000 1.127 166 G HN 0.793 nan 8.290 nan 0.000 0.498 167 S N -0.374 115.335 115.700 0.015 0.000 2.489 167 S HA 0.641 5.111 4.470 -0.000 0.000 0.291 167 S C 0.398 175.011 174.600 0.021 0.000 1.151 167 S CA 0.631 58.842 58.200 0.018 0.000 1.082 167 S CB 1.299 64.511 63.200 0.020 0.000 1.019 167 S HN 2.090 nan 8.310 nan 0.000 0.492 168 T N 1.427 115.993 114.554 0.020 0.000 2.831 168 T HA 0.289 4.639 4.350 -0.000 0.000 0.291 168 T C -2.064 172.655 174.700 0.032 0.000 0.981 168 T CA -1.014 61.097 62.100 0.018 0.000 1.174 168 T CB -0.783 68.092 68.868 0.012 0.000 0.929 168 T HN 0.608 nan 8.240 nan 0.000 0.532 169 P HA 0.137 nan 4.420 nan 0.000 0.275 169 P C -0.399 176.941 177.300 0.067 0.000 1.227 169 P CA -0.713 62.421 63.100 0.056 0.000 0.781 169 P CB 0.313 32.038 31.700 0.042 0.000 0.906 170 Y N 1.954 122.254 120.300 0.001 0.000 2.810 170 Y HA 0.208 4.758 4.550 -0.000 0.000 0.332 170 Y C 1.652 177.553 175.900 0.001 0.000 1.243 170 Y CA 2.156 60.257 58.100 0.001 0.000 1.537 170 Y CB -0.172 38.288 38.460 0.001 0.000 1.265 170 Y HN 0.866 nan 8.280 nan 0.000 0.572 171 G N 2.136 110.510 108.800 -0.711 0.000 2.213 171 G HA2 0.135 4.095 3.960 -0.000 0.000 0.236 171 G HA3 0.135 4.095 3.960 -0.000 0.000 0.236 171 G C 0.666 175.425 174.900 -0.234 0.000 0.991 171 G CA 0.243 45.046 45.100 -0.495 0.000 0.629 171 G HN 2.177 nan 8.290 nan 0.000 0.517 172 G N -2.298 106.402 108.800 -0.166 0.000 2.483 172 G HA2 0.427 4.387 3.960 -0.000 0.000 0.521 172 G HA3 0.427 4.387 3.960 -0.000 0.000 0.521 172 G C -0.497 174.370 174.900 -0.054 0.000 1.278 172 G CA 0.548 45.589 45.100 -0.098 0.000 0.965 172 G HN 1.896 nan 8.290 nan 0.000 0.504 173 V N -0.348 119.542 119.914 -0.040 0.000 3.077 173 V HA 0.732 4.852 4.120 -0.000 0.000 0.299 173 V C -0.390 175.693 176.094 -0.020 0.000 1.276 173 V CA -0.413 61.874 62.300 -0.021 0.000 0.993 173 V CB 1.991 33.808 31.823 -0.010 0.000 1.076 173 V HN 1.135 nan 8.190 nan 0.000 0.434 174 K N 4.950 125.345 120.400 -0.008 0.000 2.258 174 K HA 0.574 4.894 4.320 -0.000 0.000 0.284 174 K C -0.874 175.734 176.600 0.013 0.000 1.051 174 K CA -0.529 55.756 56.287 -0.002 0.000 0.923 174 K CB 0.780 33.286 32.500 0.010 0.000 1.046 174 K HN 0.650 nan 8.250 nan 0.000 0.474 175 L N 4.087 125.315 121.223 0.009 0.000 2.331 175 L HA 0.246 4.586 4.340 -0.000 0.000 0.278 175 L C 0.351 177.292 176.870 0.119 0.000 1.106 175 L CA -0.328 54.540 54.840 0.047 0.000 0.824 175 L CB 0.897 42.971 42.059 0.024 0.000 1.142 175 L HN 0.627 nan 8.230 nan 0.000 0.443 176 E N 1.665 121.946 120.200 0.136 0.000 2.343 176 E HA 0.077 4.427 4.350 -0.000 0.000 0.269 176 E C -0.738 175.994 176.600 0.219 0.000 1.047 176 E CA -0.571 55.920 56.400 0.151 0.000 0.874 176 E CB 1.317 31.062 29.700 0.075 0.000 1.033 176 E HN 0.404 nan 8.360 nan 0.000 0.409 177 D N 2.853 123.357 120.400 0.173 0.000 2.295 177 D HA 0.049 4.688 4.640 -0.000 0.000 0.248 177 D C 0.832 177.078 176.300 -0.090 0.000 1.154 177 D CA 0.027 53.997 54.000 -0.050 0.000 0.857 177 D CB 0.986 41.781 40.800 -0.009 0.000 1.117 177 D HN 0.435 nan 8.370 nan 0.000 0.468 178 L N 4.103 125.237 121.223 -0.148 0.000 2.201 178 L HA -0.126 4.214 4.340 -0.000 0.000 0.212 178 L C 2.260 179.068 176.870 -0.104 0.000 1.105 178 L CA 0.485 55.266 54.840 -0.099 0.000 0.775 178 L CB -0.114 41.892 42.059 -0.090 0.000 0.913 178 L HN 0.560 nan 8.230 nan 0.000 0.440 179 I N -0.900 119.593 120.570 -0.128 0.000 2.163 179 I HA -0.300 3.870 4.170 -0.000 0.000 0.243 179 I C 2.403 178.459 176.117 -0.101 0.000 1.085 179 I CA 1.274 62.503 61.300 -0.118 0.000 1.347 179 I CB -0.306 37.613 38.000 -0.136 0.000 1.044 179 I HN 0.027 nan 8.210 nan 0.000 0.408 180 V N 0.726 120.599 119.914 -0.067 0.000 2.323 180 V HA -0.256 3.864 4.120 -0.000 0.000 0.244 180 V C 2.473 178.531 176.094 -0.060 0.000 1.041 180 V CA 1.959 64.239 62.300 -0.034 0.000 1.025 180 V CB -0.590 31.253 31.823 0.033 0.000 0.656 180 V HN 0.386 nan 8.190 nan 0.000 0.451 181 K N -0.180 120.190 120.400 -0.050 0.000 2.031 181 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 181 K C 1.709 178.262 176.600 -0.078 0.000 1.049 181 K CA 1.797 58.053 56.287 -0.052 0.000 0.939 181 K CB -0.089 32.392 32.500 -0.030 0.000 0.717 181 K HN 0.388 nan 8.250 nan 0.000 0.438 182 D N -1.054 119.298 120.400 -0.081 0.000 2.301 182 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 182 D C 1.623 177.858 176.300 -0.109 0.000 0.979 182 D CA 0.993 54.941 54.000 -0.087 0.000 0.874 182 D CB 0.310 41.066 40.800 -0.072 0.000 0.968 182 D HN 0.431 nan 8.370 nan 0.000 0.510 183 G N -0.116 108.610 108.800 -0.125 0.000 2.559 183 G HA2 0.057 4.017 3.960 -0.000 0.000 0.209 183 G HA3 0.057 4.017 3.960 -0.000 0.000 0.209 183 G C 1.375 176.157 174.900 -0.197 0.000 1.151 183 G CA -0.019 44.990 45.100 -0.152 0.000 0.824 183 G HN 0.198 nan 8.290 nan 0.000 0.543 184 L N 0.681 121.767 121.223 -0.227 0.000 2.817 184 L HA 0.271 4.611 4.340 -0.000 0.000 0.248 184 L C 0.115 176.730 176.870 -0.424 0.000 1.133 184 L CA 0.120 54.731 54.840 -0.382 0.000 0.935 184 L CB 0.952 42.728 42.059 -0.471 0.000 1.266 184 L HN -0.049 nan 8.230 nan 0.000 0.535 185 T N -0.077 114.332 114.554 -0.242 0.000 2.767 185 T HA 0.157 4.507 4.350 -0.000 0.000 0.284 185 T C -0.522 174.091 174.700 -0.143 0.000 0.973 185 T CA -0.373 61.628 62.100 -0.165 0.000 0.996 185 T CB 1.812 70.624 68.868 -0.093 0.000 0.927 185 T HN -0.037 nan 8.240 nan 0.000 0.456 186 D N 2.471 122.810 120.400 -0.102 0.000 2.417 186 D HA 0.107 4.747 4.640 -0.000 0.000 0.250 186 D C 1.263 177.468 176.300 -0.158 0.000 1.166 186 D CA -0.122 53.833 54.000 -0.076 0.000 0.881 186 D CB 0.844 41.668 40.800 0.040 0.000 1.164 186 D HN 0.164 nan 8.370 nan 0.000 0.467 187 V N 4.071 123.764 119.914 -0.369 0.000 2.343 187 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 187 V C 1.282 177.053 176.094 -0.539 0.000 1.051 187 V CA 1.651 63.596 62.300 -0.592 0.000 1.036 187 V CB -0.852 30.409 31.823 -0.938 0.000 0.654 187 V HN 0.687 nan 8.190 nan 0.000 0.451 188 Y N -0.348 119.956 120.300 0.006 0.000 2.365 188 Y HA 0.101 4.651 4.550 -0.000 0.000 0.293 188 Y C 2.297 178.207 175.900 0.016 0.000 1.119 188 Y CA 0.671 58.778 58.100 0.011 0.000 1.203 188 Y CB -0.380 38.088 38.460 0.013 0.000 1.026 188 Y HN 0.243 nan 8.280 nan 0.000 0.549 189 N N 0.277 119.054 118.700 0.128 0.000 2.325 189 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 189 N C -0.080 175.459 175.510 0.047 0.000 1.088 189 N CA 0.322 53.426 53.050 0.090 0.000 0.879 189 N CB 0.229 38.777 38.487 0.101 0.000 0.983 189 N HN 0.178 nan 8.380 nan 0.000 0.471 190 K N 0.904 121.311 120.400 0.011 0.000 3.035 190 K HA -0.176 4.144 4.320 -0.000 0.000 0.262 190 K C -0.127 176.491 176.600 0.031 0.000 1.024 190 K CA 0.680 56.968 56.287 0.002 0.000 0.748 190 K CB -2.149 30.356 32.500 0.007 0.000 1.247 190 K HN 0.500 nan 8.250 nan 0.000 0.482 191 I N -4.367 116.227 120.570 0.041 0.000 3.074 191 I HA 0.409 4.579 4.170 -0.000 0.000 0.310 191 I C 0.580 176.749 176.117 0.087 0.000 1.153 191 I CA -1.304 60.044 61.300 0.080 0.000 0.993 191 I CB 1.815 39.867 38.000 0.086 0.000 1.237 191 I HN -0.031 nan 8.210 nan 0.000 0.443 192 H N 3.771 122.864 119.070 0.039 0.000 2.852 192 H HA 0.155 4.711 4.556 -0.000 0.000 0.362 192 H C 0.747 176.038 175.328 -0.063 0.000 1.122 192 H CA 0.229 56.281 56.048 0.007 0.000 1.419 192 H CB 1.269 31.079 29.762 0.082 0.000 1.401 192 H HN 0.697 nan 8.280 nan 0.000 0.609 193 M N 3.277 122.788 119.600 -0.149 0.000 2.106 193 M HA -0.143 4.336 4.480 -0.000 0.000 0.259 193 M C 2.354 178.643 176.300 -0.018 0.000 1.068 193 M CA 1.668 56.998 55.300 0.051 0.000 1.100 193 M CB -1.601 31.021 32.600 0.036 0.000 1.351 193 M HN 0.801 nan 8.290 nan 0.000 0.404 194 G N -0.877 107.792 108.800 -0.219 0.000 2.432 194 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.219 194 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.219 194 G C 1.704 176.236 174.900 -0.612 0.000 1.135 194 G CA 1.160 45.554 45.100 -1.175 0.000 0.767 194 G HN 0.506 nan 8.290 nan 0.000 0.550 195 S N -0.428 115.131 115.700 -0.236 0.000 2.414 195 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 195 S C 2.397 176.959 174.600 -0.063 0.000 1.022 195 S CA 0.876 59.052 58.200 -0.041 0.000 0.958 195 S CB -0.277 62.968 63.200 0.076 0.000 0.797 195 S HN 0.535 nan 8.310 nan 0.000 0.493 196 C N 2.027 121.303 119.300 -0.039 0.000 2.429 196 C HA 0.037 4.497 4.460 -0.000 0.000 0.277 196 C C 3.056 177.914 174.990 -0.220 0.000 1.262 196 C CA 0.440 59.442 59.018 -0.027 0.000 1.733 196 C CB -1.518 26.353 27.740 0.218 0.000 2.010 196 C HN 0.669 nan 8.230 nan 0.000 0.483 197 A N 0.755 123.354 122.820 -0.368 0.000 1.940 197 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 197 A C 2.093 179.500 177.584 -0.295 0.000 1.176 197 A CA 1.642 53.386 52.037 -0.488 0.000 0.631 197 A CB -0.453 18.067 19.000 -0.800 0.000 0.814 197 A HN 0.630 nan 8.150 nan 0.000 0.446 198 E N 0.058 120.132 120.200 -0.211 0.000 2.153 198 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 198 E C 1.867 178.410 176.600 -0.095 0.000 0.988 198 E CA 0.987 57.322 56.400 -0.109 0.000 0.811 198 E CB -0.528 29.144 29.700 -0.046 0.000 0.746 198 E HN 0.777 nan 8.360 nan 0.000 0.466 199 N N 0.650 119.287 118.700 -0.105 0.000 2.069 199 N HA -0.138 4.602 4.740 -0.000 0.000 0.191 199 N C 1.561 177.011 175.510 -0.101 0.000 1.031 199 N CA 1.817 54.816 53.050 -0.085 0.000 0.852 199 N CB 0.080 38.521 38.487 -0.077 0.000 1.018 199 N HN 0.045 nan 8.380 nan 0.000 0.423 200 T N 0.768 115.232 114.554 -0.150 0.000 2.857 200 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 200 T C 1.975 176.607 174.700 -0.113 0.000 1.048 200 T CA 0.988 63.001 62.100 -0.146 0.000 1.139 200 T CB -0.332 68.409 68.868 -0.210 0.000 0.874 200 T HN 0.424 nan 8.240 nan 0.000 0.455 201 A N 2.186 124.939 122.820 -0.111 0.000 1.917 201 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 201 A C 2.257 179.808 177.584 -0.057 0.000 1.182 201 A CA 1.547 53.537 52.037 -0.078 0.000 0.633 201 A CB -0.425 18.535 19.000 -0.065 0.000 0.819 201 A HN 0.408 nan 8.150 nan 0.000 0.448 202 K N -0.169 120.200 120.400 -0.053 0.000 1.969 202 K HA -0.183 4.137 4.320 -0.000 0.000 0.216 202 K C 2.081 178.658 176.600 -0.039 0.000 1.048 202 K CA 1.851 58.114 56.287 -0.039 0.000 0.948 202 K CB -0.374 32.105 32.500 -0.034 0.000 0.726 202 K HN 0.457 nan 8.250 nan 0.000 0.442 203 K N 0.779 121.153 120.400 -0.044 0.000 2.113 203 K HA -0.135 4.184 4.320 -0.000 0.000 0.208 203 K C 1.938 178.513 176.600 -0.041 0.000 1.047 203 K CA 1.269 57.532 56.287 -0.039 0.000 0.928 203 K CB -0.160 32.315 32.500 -0.042 0.000 0.716 203 K HN 0.165 nan 8.250 nan 0.000 0.446 204 L N 0.247 121.440 121.223 -0.051 0.000 2.607 204 L HA 0.103 4.443 4.340 -0.000 0.000 0.228 204 L C 0.010 176.852 176.870 -0.046 0.000 1.123 204 L CA -0.323 54.485 54.840 -0.052 0.000 0.890 204 L CB -0.428 41.590 42.059 -0.068 0.000 1.103 204 L HN 0.271 nan 8.230 nan 0.000 0.468 205 N N 1.546 120.223 118.700 -0.039 0.000 2.727 205 N HA -0.220 4.520 4.740 -0.000 0.000 0.251 205 N C -0.640 174.851 175.510 -0.031 0.000 1.040 205 N CA 0.390 53.422 53.050 -0.031 0.000 0.712 205 N CB -1.103 37.369 38.487 -0.026 0.000 0.912 205 N HN 0.357 nan 8.380 nan 0.000 0.545 206 I N 0.525 121.073 120.570 -0.037 0.000 2.337 206 I HA 0.474 4.644 4.170 -0.000 0.000 0.285 206 I C 0.965 177.070 176.117 -0.020 0.000 1.041 206 I CA -0.599 60.681 61.300 -0.034 0.000 1.199 206 I CB 1.053 39.022 38.000 -0.051 0.000 1.370 206 I HN 0.336 nan 8.210 nan 0.000 0.470 207 A N 5.147 127.962 122.820 -0.009 0.000 2.287 207 A HA 0.381 4.700 4.320 -0.000 0.000 0.273 207 A C 1.425 179.017 177.584 0.015 0.000 1.091 207 A CA -0.400 51.638 52.037 0.001 0.000 0.817 207 A CB 0.540 19.541 19.000 0.002 0.000 1.069 207 A HN 0.833 nan 8.150 nan 0.000 0.492 208 R N 0.901 121.414 120.500 0.021 0.000 2.103 208 R HA -0.212 4.128 4.340 -0.000 0.000 0.242 208 R C 1.698 178.021 176.300 0.038 0.000 1.142 208 R CA 2.794 58.915 56.100 0.034 0.000 0.960 208 R CB -0.522 29.797 30.300 0.031 0.000 0.858 208 R HN 0.899 nan 8.270 nan 0.000 0.439 209 N N 0.556 119.273 118.700 0.027 0.000 2.188 209 N HA -0.194 4.546 4.740 -0.000 0.000 0.184 209 N C 1.189 176.718 175.510 0.032 0.000 1.018 209 N CA 2.012 55.077 53.050 0.025 0.000 0.858 209 N CB -0.449 38.047 38.487 0.015 0.000 0.989 209 N HN 0.566 nan 8.380 nan 0.000 0.426 210 E N 0.625 120.844 120.200 0.032 0.000 2.077 210 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 210 E C 2.113 178.760 176.600 0.077 0.000 0.989 210 E CA 1.102 57.527 56.400 0.042 0.000 0.800 210 E CB -0.201 29.513 29.700 0.023 0.000 0.746 210 E HN 0.546 nan 8.360 nan 0.000 0.452 211 Q N 0.562 120.406 119.800 0.074 0.000 2.167 211 Q HA -0.165 4.175 4.340 -0.000 0.000 0.202 211 Q C 1.538 177.627 176.000 0.149 0.000 0.970 211 Q CA 1.111 56.983 55.803 0.114 0.000 0.855 211 Q CB 0.056 28.850 28.738 0.094 0.000 0.911 211 Q HN 0.227 nan 8.270 nan 0.000 0.438 212 D N 0.248 120.709 120.400 0.100 0.000 2.149 212 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 212 D C 1.740 178.069 176.300 0.047 0.000 0.972 212 D CA 1.120 55.168 54.000 0.081 0.000 0.835 212 D CB -0.087 40.743 40.800 0.050 0.000 0.966 212 D HN 0.225 nan 8.370 nan 0.000 0.476 213 A N 0.007 122.852 122.820 0.041 0.000 1.902 213 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 213 A C 2.179 179.774 177.584 0.018 0.000 1.181 213 A CA 1.154 53.193 52.037 0.004 0.000 0.623 213 A CB -1.027 17.982 19.000 0.015 0.000 0.818 213 A HN 0.337 nan 8.150 nan 0.000 0.443 214 Y N 0.646 120.946 120.300 0.000 0.000 2.181 214 Y HA -0.109 4.441 4.550 -0.000 0.000 0.288 214 Y C 2.652 178.572 175.900 0.033 0.000 1.146 214 Y CA 1.339 59.446 58.100 0.011 0.000 1.164 214 Y CB -0.471 37.999 38.460 0.017 0.000 0.982 214 Y HN 0.318 nan 8.280 nan 0.000 0.515 215 A N 0.468 123.372 122.820 0.140 0.000 1.883 215 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 215 A C 2.265 179.922 177.584 0.123 0.000 1.186 215 A CA 2.192 54.322 52.037 0.155 0.000 0.624 215 A CB -1.209 17.944 19.000 0.255 0.000 0.822 215 A HN 0.578 nan 8.150 nan 0.000 0.444 216 I N -0.050 120.495 120.570 -0.042 0.000 2.226 216 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 216 I C 2.394 178.390 176.117 -0.202 0.000 1.100 216 I CA 1.680 62.798 61.300 -0.303 0.000 1.374 216 I CB -0.511 37.102 38.000 -0.646 0.000 1.057 216 I HN 0.580 nan 8.210 nan 0.000 0.413 217 N N 0.372 118.948 118.700 -0.207 0.000 2.061 217 N HA -0.276 4.464 4.740 -0.000 0.000 0.193 217 N C 1.953 177.344 175.510 -0.198 0.000 1.030 217 N CA 2.057 54.979 53.050 -0.213 0.000 0.856 217 N CB -0.162 38.149 38.487 -0.293 0.000 1.023 217 N HN 0.230 nan 8.380 nan 0.000 0.424 218 S N -1.375 114.148 115.700 -0.295 0.000 2.356 218 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 218 S C 1.786 176.354 174.600 -0.053 0.000 1.032 218 S CA 1.075 59.136 58.200 -0.232 0.000 1.005 218 S CB -0.721 62.310 63.200 -0.283 0.000 0.867 218 S HN 0.514 nan 8.310 nan 0.000 0.449 219 Y N 2.015 122.365 120.300 0.084 0.000 2.165 219 Y HA -0.108 4.442 4.550 -0.000 0.000 0.286 219 Y C 3.013 179.081 175.900 0.281 0.000 1.155 219 Y CA 1.863 60.116 58.100 0.255 0.000 1.164 219 Y CB -1.132 37.592 38.460 0.440 0.000 0.978 219 Y HN 0.291 nan 8.280 nan 0.000 0.513 220 T N -0.197 114.583 114.554 0.376 0.000 2.674 220 T HA -0.198 4.152 4.350 -0.000 0.000 0.265 220 T C 1.952 176.748 174.700 0.160 0.000 1.039 220 T CA 1.655 63.917 62.100 0.271 0.000 1.150 220 T CB -0.244 68.713 68.868 0.149 0.000 0.864 220 T HN 0.287 nan 8.240 nan 0.000 0.427 221 R N 0.852 121.399 120.500 0.080 0.000 2.081 221 R HA -0.019 4.321 4.340 -0.000 0.000 0.235 221 R C 2.954 179.280 176.300 0.044 0.000 1.131 221 R CA 1.418 57.539 56.100 0.036 0.000 0.960 221 R CB -0.367 29.926 30.300 -0.012 0.000 0.856 221 R HN 0.252 nan 8.270 nan 0.000 0.436 222 S N 0.818 116.549 115.700 0.051 0.000 2.356 222 S HA -0.163 4.307 4.470 -0.000 0.000 0.223 222 S C 1.796 176.359 174.600 -0.061 0.000 1.032 222 S CA 1.197 59.407 58.200 0.017 0.000 1.005 222 S CB -0.094 63.100 63.200 -0.011 0.000 0.867 222 S HN 0.299 nan 8.310 nan 0.000 0.449 223 K N 1.219 121.629 120.400 0.016 0.000 2.026 223 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 223 K C 2.271 178.957 176.600 0.144 0.000 1.048 223 K CA 1.178 57.528 56.287 0.104 0.000 0.929 223 K CB -0.343 32.367 32.500 0.350 0.000 0.713 223 K HN 0.296 nan 8.250 nan 0.000 0.439 224 A N 1.083 123.973 122.820 0.116 0.000 1.902 224 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 224 A C 2.323 179.933 177.584 0.043 0.000 1.181 224 A CA 1.916 54.003 52.037 0.084 0.000 0.623 224 A CB -0.825 18.210 19.000 0.059 0.000 0.818 224 A HN 0.483 nan 8.150 nan 0.000 0.443 225 A N -1.433 121.386 122.820 -0.000 0.000 1.883 225 A HA -0.191 4.128 4.320 -0.000 0.000 0.217 225 A C 2.017 179.530 177.584 -0.120 0.000 1.186 225 A CA 1.460 53.404 52.037 -0.154 0.000 0.624 225 A CB -0.954 17.892 19.000 -0.256 0.000 0.822 225 A HN 0.749 nan 8.150 nan 0.000 0.444 226 W N -0.050 121.317 121.300 0.112 0.000 2.358 226 W HA -0.099 4.561 4.660 -0.000 0.000 0.303 226 W C 2.423 178.998 176.519 0.094 0.000 1.208 226 W CA 1.394 58.836 57.345 0.162 0.000 1.274 226 W CB -0.108 29.343 29.460 -0.016 0.000 1.138 226 W HN 0.434 nan 8.180 nan 0.000 0.515 227 E N -0.335 120.041 120.200 0.293 0.000 2.110 227 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 227 E C 2.162 178.830 176.600 0.114 0.000 0.988 227 E CA 1.228 57.745 56.400 0.194 0.000 0.804 227 E CB -0.404 29.390 29.700 0.157 0.000 0.745 227 E HN 0.213 nan 8.360 nan 0.000 0.458 228 A N 0.188 123.040 122.820 0.053 0.000 2.209 228 A HA 0.140 4.460 4.320 -0.000 0.000 0.212 228 A C 1.729 179.293 177.584 -0.033 0.000 1.158 228 A CA 0.918 52.952 52.037 -0.005 0.000 0.742 228 A CB -0.448 18.523 19.000 -0.049 0.000 0.790 228 A HN 0.354 nan 8.150 nan 0.000 0.472 229 G N -0.432 108.362 108.800 -0.009 0.000 2.147 229 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 229 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 229 G C 0.780 175.573 174.900 -0.178 0.000 1.005 229 G CA 0.574 45.659 45.100 -0.025 0.000 0.713 229 G HN 0.426 nan 8.290 nan 0.000 0.515 230 K N -0.756 119.422 120.400 -0.370 0.000 2.519 230 K HA 0.058 4.378 4.320 -0.000 0.000 0.196 230 K C 1.153 177.294 176.600 -0.765 0.000 1.041 230 K CA 0.873 56.811 56.287 -0.581 0.000 0.954 230 K CB -0.152 31.898 32.500 -0.750 0.000 0.774 230 K HN 0.555 nan 8.250 nan 0.000 0.480 231 F N -0.650 119.042 119.950 -0.430 0.000 2.654 231 F HA 0.232 4.759 4.527 -0.000 0.000 0.303 231 F C 1.965 177.577 175.800 -0.312 0.000 1.099 231 F CA -0.448 57.254 58.000 -0.496 0.000 1.270 231 F CB -0.091 38.294 39.000 -1.027 0.000 1.024 231 F HN -0.039 nan 8.300 nan 0.000 0.548 232 G N 0.705 109.448 108.800 -0.094 0.000 2.469 232 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.219 232 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.219 232 G C 1.506 176.376 174.900 -0.050 0.000 1.150 232 G CA 1.382 46.465 45.100 -0.028 0.000 0.763 232 G HN 0.320 nan 8.290 nan 0.000 0.561 233 N N -0.651 117.965 118.700 -0.140 0.000 2.395 233 N HA 0.081 4.821 4.740 -0.000 0.000 0.175 233 N C 1.923 177.270 175.510 -0.271 0.000 1.029 233 N CA 0.796 53.741 53.050 -0.175 0.000 0.897 233 N CB 0.079 38.460 38.487 -0.177 0.000 0.991 233 N HN 0.547 nan 8.380 nan 0.000 0.441 234 E N 0.166 120.144 120.200 -0.370 0.000 2.086 234 E HA 0.009 4.359 4.350 -0.000 0.000 0.190 234 E C -0.326 176.255 176.600 -0.032 0.000 0.975 234 E CA 0.542 56.760 56.400 -0.304 0.000 0.813 234 E CB 0.411 29.989 29.700 -0.203 0.000 0.768 234 E HN -0.075 nan 8.360 nan 0.000 0.457 235 V N 3.068 122.994 119.914 0.021 0.000 2.481 235 V HA 0.256 4.375 4.120 -0.000 0.000 0.286 235 V C 0.246 176.397 176.094 0.095 0.000 1.042 235 V CA -0.495 61.860 62.300 0.092 0.000 0.928 235 V CB 1.188 33.127 31.823 0.194 0.000 0.986 235 V HN 0.212 nan 8.190 nan 0.000 0.462 236 I N 3.700 124.322 120.570 0.086 0.000 2.441 236 I HA 0.653 4.823 4.170 -0.000 0.000 0.295 236 I C -2.479 173.682 176.117 0.075 0.000 0.994 236 I CA -2.569 58.776 61.300 0.074 0.000 1.144 236 I CB 1.994 40.026 38.000 0.054 0.000 1.314 236 I HN 0.365 nan 8.210 nan 0.000 0.445 237 P HA 0.037 nan 4.420 nan 0.000 0.269 237 P C -0.601 176.721 177.300 0.035 0.000 1.209 237 P CA -0.094 63.037 63.100 0.052 0.000 0.776 237 P CB 1.735 33.463 31.700 0.047 0.000 0.876 238 V N 2.132 122.060 119.914 0.024 0.000 2.448 238 V HA 0.412 4.531 4.120 -0.000 0.000 0.295 238 V C -0.482 175.616 176.094 0.008 0.000 1.025 238 V CA -0.253 62.057 62.300 0.016 0.000 0.859 238 V CB 1.578 33.410 31.823 0.015 0.000 0.988 238 V HN 0.490 nan 8.190 nan 0.000 0.431 239 T N 6.684 121.242 114.554 0.007 0.000 2.728 239 T HA 0.473 4.823 4.350 -0.000 0.000 0.296 239 T C -0.169 174.530 174.700 -0.000 0.000 0.940 239 T CA -0.135 61.966 62.100 0.003 0.000 1.013 239 T CB 0.958 69.829 68.868 0.005 0.000 0.912 239 T HN 0.678 nan 8.240 nan 0.000 0.484 240 V N 4.495 124.405 119.914 -0.005 0.000 2.383 240 V HA 0.377 4.496 4.120 -0.000 0.000 0.275 240 V C 0.597 176.686 176.094 -0.008 0.000 1.036 240 V CA -0.553 61.743 62.300 -0.008 0.000 0.889 240 V CB 1.337 33.152 31.823 -0.013 0.000 0.985 240 V HN 0.868 nan 8.190 nan 0.000 0.459 241 T N 4.860 119.410 114.554 -0.007 0.000 2.779 241 T HA 0.611 4.961 4.350 -0.000 0.000 0.280 241 T C -0.515 174.180 174.700 -0.008 0.000 0.987 241 T CA -0.277 61.820 62.100 -0.006 0.000 0.966 241 T CB 1.435 70.300 68.868 -0.003 0.000 0.933 241 T HN 0.380 nan 8.240 nan 0.000 0.442 242 V N 4.541 124.450 119.914 -0.009 0.000 2.483 242 V HA 0.387 4.507 4.120 -0.000 0.000 0.297 242 V C 0.201 176.290 176.094 -0.008 0.000 1.027 242 V CA -1.176 61.118 62.300 -0.010 0.000 0.855 242 V CB 1.921 33.736 31.823 -0.012 0.000 0.995 242 V HN 0.753 nan 8.190 nan 0.000 0.424 243 K N 2.748 123.144 120.400 -0.007 0.000 2.491 243 K HA 0.288 4.608 4.320 -0.000 0.000 0.279 243 K C 1.290 177.886 176.600 -0.007 0.000 1.026 243 K CA 1.304 57.587 56.287 -0.006 0.000 1.070 243 K CB 0.235 32.731 32.500 -0.005 0.000 0.887 243 K HN 1.189 nan 8.250 nan 0.000 0.481 244 G N 2.361 111.157 108.800 -0.006 0.000 2.179 244 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 244 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 244 G C -0.043 174.852 174.900 -0.008 0.000 0.977 244 G CA 0.206 45.302 45.100 -0.007 0.000 0.641 244 G HN 0.538 nan 8.290 nan 0.000 0.533 245 Q N 0.306 120.100 119.800 -0.009 0.000 2.399 245 Q HA 0.639 4.979 4.340 -0.000 0.000 0.276 245 Q C -2.148 173.847 176.000 -0.009 0.000 1.098 245 Q CA -1.657 54.141 55.803 -0.010 0.000 0.827 245 Q CB 2.205 30.936 28.738 -0.012 0.000 1.386 245 Q HN 0.224 nan 8.270 nan 0.000 0.443 246 P HA 0.080 nan 4.420 nan 0.000 0.269 246 P C -0.912 176.382 177.300 -0.010 0.000 1.215 246 P CA -0.243 62.851 63.100 -0.009 0.000 0.780 246 P CB 0.563 32.257 31.700 -0.010 0.000 0.898 247 D N -0.002 120.393 120.400 -0.008 0.000 2.362 247 D HA 0.236 4.876 4.640 -0.000 0.000 0.242 247 D C -0.268 176.026 176.300 -0.011 0.000 1.132 247 D CA 0.153 54.148 54.000 -0.008 0.000 0.907 247 D CB 0.472 41.269 40.800 -0.005 0.000 1.195 247 D HN -0.022 nan 8.370 nan 0.000 0.429 248 V N 1.710 121.617 119.914 -0.012 0.000 2.444 248 V HA 0.270 4.390 4.120 -0.000 0.000 0.294 248 V C -0.090 175.996 176.094 -0.013 0.000 1.022 248 V CA -0.907 61.384 62.300 -0.016 0.000 0.850 248 V CB 1.946 33.757 31.823 -0.021 0.000 0.992 248 V HN 0.224 nan 8.190 nan 0.000 0.426 249 V N 5.679 125.585 119.914 -0.013 0.000 2.364 249 V HA 0.321 4.441 4.120 -0.000 0.000 0.272 249 V C 0.024 176.107 176.094 -0.018 0.000 1.036 249 V CA -0.458 61.837 62.300 -0.009 0.000 0.880 249 V CB 1.649 33.471 31.823 -0.002 0.000 0.991 249 V HN 0.643 nan 8.190 nan 0.000 0.460 250 V N 6.869 126.773 119.914 -0.017 0.000 2.348 250 V HA 0.313 4.433 4.120 -0.000 0.000 0.270 250 V C 0.906 176.988 176.094 -0.021 0.000 1.037 250 V CA -0.395 61.886 62.300 -0.031 0.000 0.872 250 V CB 0.908 32.713 31.823 -0.030 0.000 1.002 250 V HN 1.027 nan 8.190 nan 0.000 0.464 251 K N 3.414 123.789 120.400 -0.041 0.000 2.438 251 K HA 0.338 4.658 4.320 -0.000 0.000 0.206 251 K C 0.192 176.753 176.600 -0.065 0.000 1.081 251 K CA -0.272 56.013 56.287 -0.003 0.000 1.053 251 K CB 0.954 33.469 32.500 0.025 0.000 0.908 251 K HN 0.758 nan 8.250 nan 0.000 0.556 252 E N 0.513 120.553 120.200 -0.266 0.000 2.429 252 E HA 0.270 4.620 4.350 -0.000 0.000 0.276 252 E C -1.476 174.828 176.600 -0.493 0.000 0.953 252 E CA -1.100 54.848 56.400 -0.753 0.000 0.787 252 E CB 0.779 29.663 29.700 -1.360 0.000 1.307 252 E HN -0.132 nan 8.360 nan 0.000 0.458 253 D N 1.167 121.254 120.400 -0.522 0.000 2.488 253 D HA -0.055 4.585 4.640 -0.000 0.000 0.238 253 D C 0.375 176.601 176.300 -0.123 0.000 1.138 253 D CA 0.482 54.404 54.000 -0.130 0.000 0.873 253 D CB 1.220 42.075 40.800 0.091 0.000 1.183 253 D HN 0.659 nan 8.370 nan 0.000 0.458 254 E N 1.425 121.582 120.200 -0.072 0.000 2.190 254 E HA -0.144 4.206 4.350 -0.000 0.000 0.191 254 E C 1.212 177.758 176.600 -0.090 0.000 0.978 254 E CA 0.363 56.698 56.400 -0.107 0.000 0.839 254 E CB 0.309 29.970 29.700 -0.066 0.000 0.787 254 E HN 0.294 nan 8.360 nan 0.000 0.473 255 E N -0.089 120.123 120.200 0.019 0.000 2.106 255 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 255 E C 1.805 178.492 176.600 0.145 0.000 0.984 255 E CA 1.367 57.814 56.400 0.079 0.000 0.806 255 E CB -0.396 29.369 29.700 0.108 0.000 0.750 255 E HN 0.545 nan 8.360 nan 0.000 0.458 256 Y N -0.220 120.136 120.300 0.093 0.000 2.497 256 Y HA 0.068 4.618 4.550 -0.000 0.000 0.292 256 Y C 1.352 177.396 175.900 0.240 0.000 1.137 256 Y CA 0.903 59.137 58.100 0.223 0.000 1.285 256 Y CB -0.163 38.387 38.460 0.151 0.000 0.991 256 Y HN -0.123 nan 8.280 nan 0.000 0.556 257 K N 0.707 120.808 120.400 -0.498 0.000 2.400 257 K HA 0.143 4.462 4.320 -0.000 0.000 0.194 257 K C 0.376 176.855 176.600 -0.202 0.000 1.033 257 K CA 0.109 56.145 56.287 -0.419 0.000 1.021 257 K CB 0.107 32.285 32.500 -0.537 0.000 0.808 257 K HN 0.256 nan 8.250 nan 0.000 0.505 258 R N 1.584 122.034 120.500 -0.083 0.000 4.071 258 R HA 0.197 4.536 4.340 -0.000 0.000 0.220 258 R C -0.879 175.378 176.300 -0.073 0.000 1.614 258 R CA -0.066 56.003 56.100 -0.053 0.000 1.505 258 R CB 0.416 30.720 30.300 0.007 0.000 1.384 258 R HN -0.101 nan 8.270 nan 0.000 0.758 259 V N 0.528 120.315 119.914 -0.211 0.000 3.147 259 V HA 0.317 4.437 4.120 -0.000 0.000 0.306 259 V C -1.708 174.199 176.094 -0.311 0.000 1.209 259 V CA -0.814 61.280 62.300 -0.343 0.000 1.023 259 V CB 2.888 34.217 31.823 -0.824 0.000 1.059 259 V HN 0.347 nan 8.190 nan 0.000 0.435 260 D N 3.550 123.824 120.400 -0.211 0.000 2.476 260 D HA 0.316 4.956 4.640 -0.000 0.000 0.251 260 D C 0.401 176.703 176.300 0.003 0.000 1.291 260 D CA -0.355 53.548 54.000 -0.163 0.000 0.939 260 D CB 1.212 41.959 40.800 -0.089 0.000 1.221 260 D HN 0.285 nan 8.370 nan 0.000 0.567 261 F N 1.653 121.542 119.950 -0.102 0.000 2.202 261 F HA -0.168 4.359 4.527 -0.000 0.000 0.301 261 F C 2.657 178.432 175.800 -0.042 0.000 1.082 261 F CA 1.153 59.109 58.000 -0.074 0.000 1.313 261 F CB -1.138 37.833 39.000 -0.048 0.000 1.024 261 F HN 0.403 nan 8.300 nan 0.000 0.495 262 S N -0.239 115.546 115.700 0.140 0.000 2.402 262 S HA -0.171 4.299 4.470 -0.000 0.000 0.229 262 S C 1.818 176.448 174.600 0.050 0.000 1.021 262 S CA 0.926 59.171 58.200 0.075 0.000 0.974 262 S CB -0.491 62.734 63.200 0.042 0.000 0.800 262 S HN 0.397 nan 8.310 nan 0.000 0.484 263 K N 0.776 121.201 120.400 0.041 0.000 2.243 263 K HA 0.177 4.497 4.320 -0.000 0.000 0.201 263 K C 1.960 178.581 176.600 0.036 0.000 1.051 263 K CA 0.668 56.971 56.287 0.026 0.000 0.970 263 K CB -0.376 32.129 32.500 0.009 0.000 0.755 263 K HN 0.197 nan 8.250 nan 0.000 0.465 264 V N 2.523 122.470 119.914 0.055 0.000 2.233 264 V HA -0.242 3.878 4.120 -0.000 0.000 0.252 264 V C -0.919 175.202 176.094 0.044 0.000 1.063 264 V CA 2.126 64.461 62.300 0.057 0.000 1.032 264 V CB -1.107 30.756 31.823 0.067 0.000 0.645 264 V HN 0.306 nan 8.190 nan 0.000 0.446 265 P HA -0.062 nan 4.420 nan 0.000 0.241 265 P C 0.947 178.261 177.300 0.024 0.000 1.191 265 P CA 1.108 64.225 63.100 0.028 0.000 0.771 265 P CB -0.044 31.669 31.700 0.022 0.000 0.929 266 K N -1.161 119.252 120.400 0.022 0.000 2.353 266 K HA 0.142 4.462 4.320 -0.000 0.000 0.195 266 K C 0.538 177.145 176.600 0.012 0.000 1.031 266 K CA -0.452 55.844 56.287 0.015 0.000 1.079 266 K CB 0.064 32.572 32.500 0.013 0.000 0.857 266 K HN 0.066 nan 8.250 nan 0.000 0.535 267 L N 1.998 123.232 121.223 0.018 0.000 2.467 267 L HA 0.004 4.344 4.340 -0.000 0.000 0.270 267 L C 0.363 177.236 176.870 0.005 0.000 1.205 267 L CA 0.640 55.488 54.840 0.012 0.000 0.828 267 L CB 0.310 42.384 42.059 0.024 0.000 1.101 267 L HN -0.095 nan 8.230 nan 0.000 0.479 268 K N 0.711 121.105 120.400 -0.011 0.000 2.118 268 K HA 0.310 4.630 4.320 -0.000 0.000 0.267 268 K C -0.189 176.388 176.600 -0.037 0.000 0.991 268 K CA -0.409 55.865 56.287 -0.022 0.000 0.916 268 K CB 0.770 33.251 32.500 -0.032 0.000 1.041 268 K HN 0.690 nan 8.250 nan 0.000 0.455 269 T N -1.212 113.323 114.554 -0.031 0.000 2.738 269 T HA 0.144 4.493 4.350 -0.000 0.000 0.294 269 T C 1.462 176.097 174.700 -0.109 0.000 0.914 269 T CA -0.784 61.295 62.100 -0.035 0.000 1.052 269 T CB -0.138 68.735 68.868 0.007 0.000 0.897 269 T HN 0.300 nan 8.240 nan 0.000 0.522 270 V N 0.387 120.145 119.914 -0.261 0.000 2.453 270 V HA 0.050 4.170 4.120 -0.000 0.000 0.247 270 V C 1.765 177.582 176.094 -0.462 0.000 1.048 270 V CA 0.879 62.909 62.300 -0.450 0.000 1.049 270 V CB -1.281 30.120 31.823 -0.702 0.000 0.672 270 V HN 0.746 nan 8.190 nan 0.000 0.457 271 F N 0.523 120.444 119.950 -0.049 0.000 2.743 271 F HA 0.392 4.918 4.527 -0.000 0.000 0.297 271 F C 1.374 177.157 175.800 -0.028 0.000 1.131 271 F CA 0.297 58.262 58.000 -0.059 0.000 1.426 271 F CB 0.021 38.973 39.000 -0.081 0.000 1.116 271 F HN 0.237 nan 8.300 nan 0.000 0.583 272 Q N 0.134 119.993 119.800 0.098 0.000 2.374 272 Q HA 0.182 4.522 4.340 -0.000 0.000 0.250 272 Q C 0.321 176.333 176.000 0.020 0.000 0.918 272 Q CA -0.243 55.595 55.803 0.059 0.000 0.778 272 Q CB 1.409 30.185 28.738 0.062 0.000 1.328 272 Q HN 0.123 nan 8.270 nan 0.000 0.445 273 K N 0.899 121.304 120.400 0.008 0.000 2.211 273 K HA -0.027 4.292 4.320 -0.000 0.000 0.203 273 K C 0.362 176.964 176.600 0.003 0.000 1.050 273 K CA 0.813 57.098 56.287 -0.003 0.000 0.945 273 K CB 0.417 32.914 32.500 -0.004 0.000 0.732 273 K HN 0.353 nan 8.250 nan 0.000 0.451 274 E N 1.165 121.370 120.200 0.009 0.000 2.129 274 E HA 0.068 4.418 4.350 -0.000 0.000 0.268 274 E C -0.896 175.710 176.600 0.010 0.000 0.900 274 E CA -0.265 56.140 56.400 0.008 0.000 0.755 274 E CB 0.830 30.535 29.700 0.008 0.000 1.117 274 E HN 0.073 nan 8.360 nan 0.000 0.410 275 N N 2.059 120.764 118.700 0.008 0.000 2.735 275 N HA -0.164 4.576 4.740 -0.000 0.000 0.248 275 N C -0.231 175.285 175.510 0.011 0.000 1.083 275 N CA 1.115 54.169 53.050 0.008 0.000 0.703 275 N CB -1.036 37.453 38.487 0.005 0.000 1.005 275 N HN 0.615 nan 8.380 nan 0.000 0.550 276 G N -1.418 107.392 108.800 0.016 0.000 2.572 276 G HA2 0.429 4.389 3.960 -0.000 0.000 0.261 276 G HA3 0.429 4.389 3.960 -0.000 0.000 0.261 276 G C 1.007 175.924 174.900 0.029 0.000 1.197 276 G CA 0.429 45.545 45.100 0.027 0.000 0.870 276 G HN 0.336 nan 8.290 nan 0.000 0.548 277 T N -3.271 111.308 114.554 0.042 0.000 3.010 277 T HA 0.179 4.529 4.350 -0.000 0.000 0.253 277 T C 0.444 175.193 174.700 0.082 0.000 0.939 277 T CA 0.020 62.148 62.100 0.046 0.000 0.910 277 T CB 0.130 69.013 68.868 0.025 0.000 1.226 277 T HN 0.286 nan 8.240 nan 0.000 0.508 278 V N 3.892 123.877 119.914 0.118 0.000 2.465 278 V HA 0.657 4.776 4.120 -0.000 0.000 0.279 278 V C 0.616 176.846 176.094 0.227 0.000 1.045 278 V CA -0.201 62.225 62.300 0.210 0.000 0.938 278 V CB 0.989 32.955 31.823 0.239 0.000 0.986 278 V HN 0.769 nan 8.190 nan 0.000 0.467 279 T N 1.515 116.202 114.554 0.221 0.000 2.888 279 T HA 0.688 5.038 4.350 -0.000 0.000 0.288 279 T C 1.089 175.902 174.700 0.188 0.000 1.063 279 T CA -0.028 62.152 62.100 0.134 0.000 1.010 279 T CB 1.959 70.883 68.868 0.094 0.000 1.214 279 T HN 0.634 nan 8.240 nan 0.000 0.533 280 A N 0.448 123.326 122.820 0.096 0.000 1.940 280 A HA 0.222 4.542 4.320 -0.000 0.000 0.219 280 A C 2.527 180.217 177.584 0.176 0.000 1.176 280 A CA 2.074 54.185 52.037 0.124 0.000 0.631 280 A CB -1.536 17.496 19.000 0.053 0.000 0.814 280 A HN 1.288 nan 8.150 nan 0.000 0.446 281 A N 1.168 124.087 122.820 0.166 0.000 1.898 281 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 281 A C 1.722 179.479 177.584 0.288 0.000 1.181 281 A CA 1.831 53.997 52.037 0.215 0.000 0.620 281 A CB -0.616 18.474 19.000 0.149 0.000 0.819 281 A HN 0.759 nan 8.150 nan 0.000 0.442 282 N N -0.287 118.564 118.700 0.251 0.000 2.336 282 N HA 0.351 5.090 4.740 -0.000 0.000 0.189 282 N C 0.256 175.943 175.510 0.294 0.000 1.113 282 N CA 0.673 53.884 53.050 0.268 0.000 0.858 282 N CB -0.175 38.449 38.487 0.228 0.000 0.970 282 N HN 0.398 nan 8.380 nan 0.000 0.471 283 A N 0.190 123.197 122.820 0.311 0.000 2.269 283 A HA 0.667 4.987 4.320 -0.000 0.000 0.319 283 A C 0.436 178.072 177.584 0.086 0.000 1.110 283 A CA -0.442 51.762 52.037 0.279 0.000 0.847 283 A CB 0.491 19.796 19.000 0.509 0.000 1.161 283 A HN 0.415 nan 8.150 nan 0.000 0.497 284 S N 0.082 115.702 115.700 -0.133 0.000 2.608 284 S HA 0.527 4.997 4.470 -0.000 0.000 0.261 284 S C 0.449 175.058 174.600 0.015 0.000 1.314 284 S CA 0.330 58.487 58.200 -0.071 0.000 0.992 284 S CB 0.390 63.509 63.200 -0.135 0.000 0.935 284 S HN 1.358 nan 8.310 nan 0.000 0.564 285 T N -1.271 113.314 114.554 0.052 0.000 2.905 285 T HA 0.631 4.980 4.350 -0.000 0.000 0.283 285 T C -0.254 174.457 174.700 0.019 0.000 1.031 285 T CA -1.151 60.983 62.100 0.056 0.000 1.002 285 T CB 0.300 69.220 68.868 0.087 0.000 1.200 285 T HN 0.573 nan 8.240 nan 0.000 0.560 286 L N 1.756 122.958 121.223 -0.035 0.000 2.276 286 L HA 0.576 4.916 4.340 -0.000 0.000 0.286 286 L C -0.321 176.579 176.870 0.050 0.000 1.061 286 L CA -0.631 54.147 54.840 -0.103 0.000 0.807 286 L CB 0.503 42.298 42.059 -0.441 0.000 1.177 286 L HN 0.729 nan 8.230 nan 0.000 0.429 287 N N 0.912 119.647 118.700 0.058 0.000 2.732 287 N HA 0.469 5.209 4.740 -0.000 0.000 0.259 287 N C -1.865 173.692 175.510 0.079 0.000 1.402 287 N CA -0.898 52.210 53.050 0.098 0.000 0.829 287 N CB 1.727 40.260 38.487 0.076 0.000 1.495 287 N HN 0.384 nan 8.380 nan 0.000 0.511 288 D N -0.279 120.163 120.400 0.071 0.000 2.375 288 D HA 0.721 5.361 4.640 -0.000 0.000 0.247 288 D C -0.289 176.033 176.300 0.037 0.000 1.061 288 D CA -0.287 53.741 54.000 0.048 0.000 0.834 288 D CB 1.786 42.611 40.800 0.041 0.000 1.247 288 D HN 0.651 nan 8.370 nan 0.000 0.489 289 G N -0.533 108.286 108.800 0.031 0.000 2.387 289 G HA2 0.620 4.580 3.960 -0.000 0.000 0.294 289 G HA3 0.620 4.580 3.960 -0.000 0.000 0.294 289 G C -1.944 172.975 174.900 0.032 0.000 1.509 289 G CA -0.511 44.609 45.100 0.033 0.000 0.806 289 G HN 0.575 nan 8.290 nan 0.000 0.546 290 A N -0.828 122.013 122.820 0.035 0.000 2.475 290 A HA 1.083 5.403 4.320 -0.000 0.000 0.301 290 A C -0.212 177.399 177.584 0.045 0.000 1.059 290 A CA 0.105 52.164 52.037 0.036 0.000 0.710 290 A CB 1.719 20.737 19.000 0.031 0.000 1.288 290 A HN 2.492 nan 8.150 nan 0.000 0.408 291 A N 0.212 123.060 122.820 0.047 0.000 2.435 291 A HA 0.986 5.306 4.320 -0.000 0.000 0.304 291 A C -0.382 177.232 177.584 0.050 0.000 1.064 291 A CA -0.023 52.047 52.037 0.056 0.000 0.727 291 A CB 1.560 20.599 19.000 0.066 0.000 1.284 291 A HN 2.575 nan 8.150 nan 0.000 0.415 292 A N 0.936 123.788 122.820 0.053 0.000 2.520 292 A HA 0.745 5.065 4.320 -0.000 0.000 0.298 292 A C -1.793 175.817 177.584 0.044 0.000 1.051 292 A CA -0.349 51.713 52.037 0.043 0.000 0.690 292 A CB 1.045 20.067 19.000 0.035 0.000 1.281 292 A HN 0.872 nan 8.150 nan 0.000 0.402 293 L N 1.370 122.610 121.223 0.028 0.000 2.365 293 L HA 0.584 4.924 4.340 -0.000 0.000 0.273 293 L C -0.281 176.590 176.870 0.002 0.000 1.000 293 L CA -0.552 54.299 54.840 0.017 0.000 0.819 293 L CB 2.040 44.104 42.059 0.008 0.000 1.284 293 L HN 0.448 nan 8.230 nan 0.000 0.418 294 V N 4.515 124.429 119.914 -0.001 0.000 2.406 294 V HA 0.415 4.535 4.120 -0.000 0.000 0.272 294 V C 0.008 176.091 176.094 -0.018 0.000 1.043 294 V CA -0.377 61.917 62.300 -0.011 0.000 0.915 294 V CB 1.017 32.837 31.823 -0.006 0.000 0.988 294 V HN 0.465 nan 8.190 nan 0.000 0.466 295 L N 6.920 128.127 121.223 -0.026 0.000 2.346 295 L HA 0.804 5.144 4.340 -0.000 0.000 0.274 295 L C -0.191 176.664 176.870 -0.026 0.000 1.007 295 L CA -0.512 54.313 54.840 -0.025 0.000 0.818 295 L CB 1.764 43.806 42.059 -0.029 0.000 1.284 295 L HN 0.710 nan 8.230 nan 0.000 0.424 296 M N -0.095 119.494 119.600 -0.018 0.000 2.683 296 M HA 0.538 5.018 4.480 -0.000 0.000 0.274 296 M C -0.421 175.873 176.300 -0.009 0.000 1.272 296 M CA -0.786 54.504 55.300 -0.016 0.000 0.833 296 M CB 2.109 34.700 32.600 -0.016 0.000 1.708 296 M HN 0.494 nan 8.290 nan 0.000 0.463 297 T N -0.441 114.108 114.554 -0.008 0.000 2.900 297 T HA 0.446 4.796 4.350 -0.000 0.000 0.307 297 T C 1.228 175.924 174.700 -0.006 0.000 1.065 297 T CA -0.031 62.067 62.100 -0.005 0.000 1.105 297 T CB 0.977 69.843 68.868 -0.005 0.000 0.979 297 T HN 0.839 nan 8.240 nan 0.000 0.544 298 A N 1.922 124.738 122.820 -0.006 0.000 1.917 298 A HA -0.170 4.149 4.320 -0.000 0.000 0.219 298 A C 2.117 179.696 177.584 -0.008 0.000 1.182 298 A CA 1.898 53.930 52.037 -0.008 0.000 0.633 298 A CB -0.986 18.009 19.000 -0.008 0.000 0.819 298 A HN 0.942 nan 8.150 nan 0.000 0.448 299 D N -0.100 120.297 120.400 -0.006 0.000 2.116 299 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 299 D C 2.248 178.544 176.300 -0.006 0.000 0.998 299 D CA 1.786 55.783 54.000 -0.006 0.000 0.836 299 D CB -0.452 40.346 40.800 -0.004 0.000 0.951 299 D HN 0.447 nan 8.370 nan 0.000 0.449 300 A N 0.855 123.671 122.820 -0.006 0.000 1.969 300 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 300 A C 2.296 179.875 177.584 -0.008 0.000 1.169 300 A CA 1.963 53.996 52.037 -0.006 0.000 0.635 300 A CB -0.501 18.494 19.000 -0.007 0.000 0.810 300 A HN 0.241 nan 8.150 nan 0.000 0.445 301 A N 0.003 122.818 122.820 -0.009 0.000 1.902 301 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 301 A C 2.102 179.681 177.584 -0.009 0.000 1.181 301 A CA 1.861 53.892 52.037 -0.010 0.000 0.623 301 A CB -0.381 18.611 19.000 -0.013 0.000 0.818 301 A HN 0.544 nan 8.150 nan 0.000 0.443 302 K N -0.803 119.592 120.400 -0.009 0.000 2.002 302 K HA -0.135 4.185 4.320 -0.000 0.000 0.209 302 K C 2.385 178.981 176.600 -0.006 0.000 1.048 302 K CA 1.497 57.779 56.287 -0.008 0.000 0.930 302 K CB -0.215 32.280 32.500 -0.008 0.000 0.714 302 K HN 0.465 nan 8.250 nan 0.000 0.438 303 R N 1.151 121.648 120.500 -0.005 0.000 2.103 303 R HA -0.131 4.209 4.340 -0.000 0.000 0.242 303 R C 1.727 178.025 176.300 -0.004 0.000 1.142 303 R CA 1.425 57.523 56.100 -0.004 0.000 0.960 303 R CB -0.201 30.097 30.300 -0.004 0.000 0.858 303 R HN 0.148 nan 8.270 nan 0.000 0.439 304 L N 0.868 122.088 121.223 -0.005 0.000 2.591 304 L HA 0.061 4.400 4.340 -0.000 0.000 0.228 304 L C 0.319 177.187 176.870 -0.005 0.000 1.133 304 L CA -0.043 54.795 54.840 -0.005 0.000 0.880 304 L CB -0.300 41.756 42.059 -0.005 0.000 1.033 304 L HN 0.336 nan 8.230 nan 0.000 0.450 305 N N 0.601 119.298 118.700 -0.005 0.000 2.725 305 N HA -0.171 4.569 4.740 -0.000 0.000 0.251 305 N C -0.592 174.915 175.510 -0.006 0.000 1.031 305 N CA 0.828 53.874 53.050 -0.006 0.000 0.720 305 N CB -0.840 37.645 38.487 -0.005 0.000 0.930 305 N HN 0.243 nan 8.380 nan 0.000 0.543 306 V N -2.318 117.591 119.914 -0.008 0.000 2.667 306 V HA 0.826 4.946 4.120 -0.000 0.000 0.308 306 V C 0.685 176.772 176.094 -0.012 0.000 1.048 306 V CA -0.241 62.054 62.300 -0.008 0.000 0.928 306 V CB 1.869 33.687 31.823 -0.008 0.000 1.004 306 V HN 0.329 nan 8.190 nan 0.000 0.444 307 T N 2.135 116.681 114.554 -0.013 0.000 2.738 307 T HA 0.566 4.916 4.350 -0.000 0.000 0.298 307 T C -2.026 172.659 174.700 -0.024 0.000 0.962 307 T CA -1.411 60.678 62.100 -0.018 0.000 0.972 307 T CB 0.730 69.587 68.868 -0.018 0.000 0.928 307 T HN 0.825 nan 8.240 nan 0.000 0.474 308 P HA 0.233 nan 4.420 nan 0.000 0.272 308 P C 0.497 177.768 177.300 -0.049 0.000 1.223 308 P CA -0.622 62.457 63.100 -0.036 0.000 0.784 308 P CB 1.288 32.969 31.700 -0.032 0.000 0.923 309 L N 0.400 121.584 121.223 -0.065 0.000 2.221 309 L HA 0.290 4.630 4.340 -0.000 0.000 0.202 309 L C 1.234 178.048 176.870 -0.092 0.000 1.074 309 L CA 0.843 55.629 54.840 -0.091 0.000 0.795 309 L CB -0.296 41.678 42.059 -0.141 0.000 0.960 309 L HN 0.464 nan 8.230 nan 0.000 0.458 310 A N -0.286 122.486 122.820 -0.080 0.000 2.609 310 A HA 0.623 4.943 4.320 -0.000 0.000 0.291 310 A C -1.167 176.392 177.584 -0.041 0.000 1.096 310 A CA -0.569 51.427 52.037 -0.069 0.000 0.684 310 A CB 1.474 20.428 19.000 -0.077 0.000 1.282 310 A HN 0.090 nan 8.150 nan 0.000 0.412 311 R N 1.126 121.609 120.500 -0.028 0.000 2.393 311 R HA 0.659 4.999 4.340 -0.000 0.000 0.310 311 R C -1.332 174.984 176.300 0.028 0.000 0.968 311 R CA -0.552 55.547 56.100 -0.002 0.000 0.867 311 R CB 0.666 30.963 30.300 -0.005 0.000 1.124 311 R HN 0.646 nan 8.270 nan 0.000 0.450 312 I N 5.607 126.207 120.570 0.050 0.000 2.379 312 I HA 0.028 4.197 4.170 -0.000 0.000 0.290 312 I C 0.827 176.999 176.117 0.092 0.000 1.063 312 I CA -0.287 61.073 61.300 0.100 0.000 1.351 312 I CB 1.614 39.704 38.000 0.150 0.000 1.410 312 I HN 0.592 nan 8.210 nan 0.000 0.505 313 V N 6.132 126.093 119.914 0.077 0.000 2.521 313 V HA 0.316 4.436 4.120 -0.000 0.000 0.239 313 V C 0.744 176.794 176.094 -0.073 0.000 1.053 313 V CA 0.980 63.293 62.300 0.023 0.000 1.073 313 V CB 0.154 32.011 31.823 0.056 0.000 0.746 313 V HN 0.846 nan 8.190 nan 0.000 0.476 314 A N -0.102 122.666 122.820 -0.087 0.000 2.601 314 A HA 0.802 5.122 4.320 -0.000 0.000 0.291 314 A C -1.616 175.887 177.584 -0.134 0.000 1.075 314 A CA -0.448 51.417 52.037 -0.287 0.000 0.671 314 A CB 1.496 20.369 19.000 -0.211 0.000 1.277 314 A HN 0.451 nan 8.150 nan 0.000 0.417 315 F N -2.557 117.393 119.950 -0.001 0.000 2.741 315 F HA 0.948 5.475 4.527 -0.000 0.000 0.313 315 F C -0.333 175.476 175.800 0.015 0.000 1.153 315 F CA -0.723 57.282 58.000 0.009 0.000 0.931 315 F CB 1.202 40.212 39.000 0.016 0.000 1.335 315 F HN 1.599 nan 8.300 nan 0.000 0.460 316 A N 0.336 123.328 122.820 0.287 0.000 2.608 316 A HA 0.651 4.971 4.320 -0.000 0.000 0.292 316 A C -2.281 175.399 177.584 0.160 0.000 1.066 316 A CA -0.798 51.348 52.037 0.181 0.000 0.676 316 A CB 1.639 20.697 19.000 0.097 0.000 1.277 316 A HN 0.756 nan 8.150 nan 0.000 0.413 317 D N 0.345 120.821 120.400 0.126 0.000 2.350 317 D HA 0.686 5.326 4.640 -0.000 0.000 0.245 317 D C -0.240 176.113 176.300 0.089 0.000 1.036 317 D CA 0.136 54.196 54.000 0.101 0.000 0.848 317 D CB 2.226 43.075 40.800 0.082 0.000 1.307 317 D HN 0.898 nan 8.370 nan 0.000 0.469 318 A N 0.498 123.375 122.820 0.096 0.000 2.515 318 A HA 0.877 5.197 4.320 -0.000 0.000 0.296 318 A C -1.427 176.207 177.584 0.083 0.000 1.094 318 A CA -0.602 51.490 52.037 0.091 0.000 0.718 318 A CB 2.073 21.161 19.000 0.146 0.000 1.307 318 A HN 0.592 nan 8.150 nan 0.000 0.408 319 A N 0.002 122.851 122.820 0.048 0.000 2.515 319 A HA 0.847 5.167 4.320 -0.000 0.000 0.298 319 A C -0.363 177.225 177.584 0.008 0.000 1.059 319 A CA 0.046 52.108 52.037 0.042 0.000 0.698 319 A CB 1.150 20.164 19.000 0.023 0.000 1.289 319 A HN 2.331 nan 8.150 nan 0.000 0.404 320 V N -1.833 118.099 119.914 0.030 0.000 3.084 320 V HA 0.683 4.803 4.120 -0.000 0.000 0.311 320 V C -0.243 175.853 176.094 0.002 0.000 1.311 320 V CA -1.099 61.202 62.300 0.003 0.000 1.062 320 V CB 0.937 32.788 31.823 0.047 0.000 1.113 320 V HN 0.789 nan 8.190 nan 0.000 0.468 321 E N 1.658 121.853 120.200 -0.007 0.000 2.529 321 E HA 0.099 4.449 4.350 -0.000 0.000 0.259 321 E C -1.810 174.811 176.600 0.036 0.000 0.966 321 E CA -1.012 55.380 56.400 -0.013 0.000 0.937 321 E CB 1.123 30.816 29.700 -0.011 0.000 0.923 321 E HN 0.491 nan 8.360 nan 0.000 0.468 322 P HA -0.191 nan 4.420 nan 0.000 0.216 322 P C 1.529 178.962 177.300 0.220 0.000 1.157 322 P CA 1.061 64.241 63.100 0.133 0.000 0.880 322 P CB 0.098 31.895 31.700 0.161 0.000 0.791 323 I N -0.817 119.844 120.570 0.152 0.000 2.567 323 I HA -0.179 3.991 4.170 -0.000 0.000 0.257 323 I C 0.532 176.675 176.117 0.042 0.000 1.184 323 I CA 1.557 62.937 61.300 0.133 0.000 1.451 323 I CB -0.090 37.949 38.000 0.064 0.000 1.089 323 I HN -0.138 nan 8.210 nan 0.000 0.441 324 D N 0.395 120.814 120.400 0.031 0.000 2.336 324 D HA -0.022 4.617 4.640 -0.000 0.000 0.228 324 D C 1.666 177.938 176.300 -0.047 0.000 1.120 324 D CA 0.029 53.997 54.000 -0.053 0.000 0.839 324 D CB -0.124 40.673 40.800 -0.004 0.000 0.932 324 D HN 0.440 nan 8.370 nan 0.000 0.509 325 F N 1.160 121.133 119.950 0.038 0.000 2.147 325 F HA -0.106 4.421 4.527 -0.000 0.000 0.301 325 F C -1.084 174.749 175.800 0.055 0.000 1.084 325 F CA 0.681 58.714 58.000 0.054 0.000 1.268 325 F CB -2.066 36.971 39.000 0.061 0.000 1.009 325 F HN -0.029 nan 8.300 nan 0.000 0.486 326 P HA -0.146 nan 4.420 nan 0.000 0.221 326 P C 1.741 178.973 177.300 -0.114 0.000 1.145 326 P CA 2.046 64.944 63.100 -0.335 0.000 0.795 326 P CB -0.374 31.030 31.700 -0.493 0.000 0.775 327 I N -5.603 114.918 120.570 -0.083 0.000 3.783 327 I HA 0.281 4.450 4.170 -0.000 0.000 0.310 327 I C 1.857 177.993 176.117 0.031 0.000 1.274 327 I CA 0.299 61.569 61.300 -0.050 0.000 1.294 327 I CB -0.557 37.419 38.000 -0.040 0.000 1.051 327 I HN -0.248 nan 8.210 nan 0.000 0.435 328 A N 2.639 125.542 122.820 0.139 0.000 1.948 328 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 328 A C 0.082 177.761 177.584 0.158 0.000 1.177 328 A CA 1.821 53.993 52.037 0.225 0.000 0.636 328 A CB -1.947 17.175 19.000 0.203 0.000 0.815 328 A HN 0.426 nan 8.150 nan 0.000 0.449 329 P HA -0.057 nan 4.420 nan 0.000 0.222 329 P C 1.480 178.789 177.300 0.015 0.000 1.147 329 P CA 0.839 63.984 63.100 0.074 0.000 0.790 329 P CB -0.097 31.646 31.700 0.071 0.000 0.780 330 V N -1.281 118.563 119.914 -0.115 0.000 2.261 330 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 330 V C 2.096 178.059 176.094 -0.218 0.000 1.047 330 V CA 1.938 64.084 62.300 -0.257 0.000 1.015 330 V CB -1.536 29.974 31.823 -0.522 0.000 0.642 330 V HN 0.041 nan 8.190 nan 0.000 0.446 331 Y N 0.848 121.171 120.300 0.037 0.000 2.181 331 Y HA -0.109 4.440 4.550 -0.000 0.000 0.288 331 Y C 2.578 178.507 175.900 0.048 0.000 1.146 331 Y CA 1.134 59.256 58.100 0.036 0.000 1.164 331 Y CB -1.316 37.160 38.460 0.026 0.000 0.982 331 Y HN 0.171 nan 8.280 nan 0.000 0.515 332 A N 0.345 123.284 122.820 0.197 0.000 1.883 332 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 332 A C 2.496 180.152 177.584 0.119 0.000 1.186 332 A CA 2.166 54.290 52.037 0.145 0.000 0.624 332 A CB -1.320 17.761 19.000 0.134 0.000 0.822 332 A HN 0.421 nan 8.150 nan 0.000 0.444 333 A N -0.573 122.318 122.820 0.119 0.000 1.902 333 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 333 A C 2.443 180.092 177.584 0.107 0.000 1.181 333 A CA 2.124 54.241 52.037 0.134 0.000 0.623 333 A CB -0.848 18.293 19.000 0.235 0.000 0.818 333 A HN 0.482 nan 8.150 nan 0.000 0.443 334 S N -0.343 115.415 115.700 0.097 0.000 2.368 334 S HA -0.158 4.311 4.470 -0.000 0.000 0.224 334 S C 2.006 176.644 174.600 0.063 0.000 1.029 334 S CA 1.707 59.955 58.200 0.081 0.000 0.988 334 S CB -0.437 62.813 63.200 0.082 0.000 0.838 334 S HN 0.568 nan 8.310 nan 0.000 0.462 335 M N 0.862 120.508 119.600 0.076 0.000 2.073 335 M HA -0.146 4.334 4.480 -0.000 0.000 0.258 335 M C 2.191 178.501 176.300 0.015 0.000 1.070 335 M CA 1.439 56.769 55.300 0.050 0.000 1.103 335 M CB -0.810 31.828 32.600 0.064 0.000 1.321 335 M HN 0.157 nan 8.290 nan 0.000 0.405 336 V N 0.698 120.622 119.914 0.017 0.000 2.287 336 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 336 V C 2.301 178.360 176.094 -0.058 0.000 1.053 336 V CA 1.818 64.104 62.300 -0.024 0.000 1.027 336 V CB -0.691 31.126 31.823 -0.010 0.000 0.646 336 V HN 0.456 nan 8.190 nan 0.000 0.447 337 L N -0.279 120.918 121.223 -0.044 0.000 2.012 337 L HA -0.260 4.079 4.340 -0.000 0.000 0.210 337 L C 2.597 179.433 176.870 -0.056 0.000 1.073 337 L CA 2.266 57.066 54.840 -0.066 0.000 0.748 337 L CB -0.640 41.407 42.059 -0.020 0.000 0.891 337 L HN 0.307 nan 8.230 nan 0.000 0.431 338 K N 0.179 120.564 120.400 -0.025 0.000 2.057 338 K HA -0.261 4.058 4.320 -0.000 0.000 0.207 338 K C 1.825 178.403 176.600 -0.036 0.000 1.049 338 K CA 1.973 58.248 56.287 -0.021 0.000 0.931 338 K CB -0.133 32.367 32.500 0.000 0.000 0.714 338 K HN 0.169 nan 8.250 nan 0.000 0.440 339 D N -0.393 119.980 120.400 -0.044 0.000 2.123 339 D HA -0.134 4.506 4.640 -0.000 0.000 0.196 339 D C 1.498 177.754 176.300 -0.072 0.000 0.992 339 D CA 1.223 55.188 54.000 -0.059 0.000 0.833 339 D CB 0.171 40.926 40.800 -0.075 0.000 0.954 339 D HN 0.090 nan 8.370 nan 0.000 0.455 340 V N -0.745 119.115 119.914 -0.090 0.000 3.506 340 V HA 0.240 4.360 4.120 -0.000 0.000 0.263 340 V C 1.503 177.541 176.094 -0.093 0.000 1.203 340 V CA 0.666 62.905 62.300 -0.103 0.000 1.133 340 V CB -0.072 31.662 31.823 -0.149 0.000 0.802 340 V HN 0.482 nan 8.190 nan 0.000 0.459 341 G N 1.096 109.849 108.800 -0.079 0.000 2.256 341 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.272 341 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.272 341 G C -0.203 174.650 174.900 -0.078 0.000 1.076 341 G CA 0.380 45.443 45.100 -0.062 0.000 0.882 341 G HN 0.433 nan 8.290 nan 0.000 0.497 342 L N -1.219 119.937 121.223 -0.113 0.000 2.313 342 L HA 0.705 5.045 4.340 -0.000 0.000 0.268 342 L C 0.681 177.507 176.870 -0.074 0.000 1.010 342 L CA -1.139 53.621 54.840 -0.133 0.000 0.814 342 L CB 1.556 43.447 42.059 -0.279 0.000 1.304 342 L HN 0.049 nan 8.230 nan 0.000 0.441 343 K N 0.296 120.669 120.400 -0.045 0.000 2.166 343 K HA 0.272 4.591 4.320 -0.000 0.000 0.245 343 K C 0.537 177.164 176.600 0.045 0.000 0.967 343 K CA -0.843 55.448 56.287 0.007 0.000 0.863 343 K CB 2.015 34.526 32.500 0.019 0.000 1.107 343 K HN 0.469 nan 8.250 nan 0.000 0.436 344 K N 0.680 121.150 120.400 0.117 0.000 2.113 344 K HA -0.243 4.077 4.320 -0.000 0.000 0.208 344 K C 0.739 177.504 176.600 0.274 0.000 1.047 344 K CA 1.831 58.284 56.287 0.276 0.000 0.928 344 K CB -0.057 32.614 32.500 0.284 0.000 0.716 344 K HN 0.446 nan 8.250 nan 0.000 0.446 345 E N 1.385 121.679 120.200 0.157 0.000 2.268 345 E HA -0.122 4.227 4.350 -0.000 0.000 0.195 345 E C 1.389 178.055 176.600 0.111 0.000 0.995 345 E CA 1.205 57.686 56.400 0.135 0.000 0.836 345 E CB -0.095 29.655 29.700 0.084 0.000 0.763 345 E HN 0.389 nan 8.360 nan 0.000 0.491 346 D N 0.125 120.569 120.400 0.073 0.000 2.312 346 D HA -0.075 4.565 4.640 -0.000 0.000 0.211 346 D C 0.289 176.628 176.300 0.066 0.000 0.964 346 D CA 0.507 54.543 54.000 0.060 0.000 0.877 346 D CB 0.148 40.947 40.800 -0.001 0.000 0.924 346 D HN 0.156 nan 8.370 nan 0.000 0.515 347 I N 1.332 121.903 120.570 0.000 0.000 2.396 347 I HA 0.072 4.242 4.170 -0.000 0.000 0.289 347 I C 1.443 177.548 176.117 -0.020 0.000 1.056 347 I CA -0.356 60.857 61.300 -0.145 0.000 1.365 347 I CB 0.845 38.455 38.000 -0.649 0.000 1.407 347 I HN -0.181 nan 8.210 nan 0.000 0.509 348 A N 7.014 129.821 122.820 -0.021 0.000 1.975 348 A HA 0.136 4.456 4.320 -0.000 0.000 0.215 348 A C 1.021 178.633 177.584 0.047 0.000 1.170 348 A CA 0.694 52.749 52.037 0.029 0.000 0.656 348 A CB 0.231 19.236 19.000 0.008 0.000 0.821 348 A HN 0.703 nan 8.150 nan 0.000 0.449 349 M N -0.881 118.692 119.600 -0.046 0.000 2.324 349 M HA 0.478 4.957 4.480 -0.000 0.000 0.288 349 M C -2.395 173.867 176.300 -0.065 0.000 1.097 349 M CA -0.454 54.866 55.300 0.033 0.000 0.928 349 M CB 1.604 34.216 32.600 0.019 0.000 1.648 349 M HN 0.312 nan 8.290 nan 0.000 0.460 350 W N 3.134 124.466 121.300 0.054 0.000 2.529 350 W HA 0.479 5.138 4.660 -0.000 0.000 0.321 350 W C -0.373 176.187 176.519 0.069 0.000 1.047 350 W CA -0.354 57.023 57.345 0.054 0.000 1.216 350 W CB 1.181 30.665 29.460 0.040 0.000 1.357 350 W HN 0.361 nan 8.180 nan 0.000 0.489 351 E N 2.925 123.289 120.200 0.273 0.000 2.149 351 E HA 0.312 4.662 4.350 -0.000 0.000 0.255 351 E C -1.160 175.555 176.600 0.191 0.000 0.888 351 E CA -0.616 55.908 56.400 0.207 0.000 0.742 351 E CB 1.760 31.558 29.700 0.162 0.000 1.164 351 E HN 0.165 nan 8.360 nan 0.000 0.422 352 V N 3.482 123.499 119.914 0.172 0.000 2.328 352 V HA 0.141 4.261 4.120 -0.000 0.000 0.278 352 V C 0.419 176.553 176.094 0.066 0.000 1.021 352 V CA -1.051 61.320 62.300 0.118 0.000 0.838 352 V CB 1.094 32.964 31.823 0.078 0.000 0.999 352 V HN 0.485 nan 8.190 nan 0.000 0.447 353 N N 3.747 122.472 118.700 0.043 0.000 2.359 353 N HA -0.058 4.682 4.740 -0.000 0.000 0.261 353 N C 0.492 175.971 175.510 -0.051 0.000 1.267 353 N CA 0.471 53.508 53.050 -0.022 0.000 0.864 353 N CB 0.466 38.918 38.487 -0.058 0.000 1.063 353 N HN 0.694 nan 8.380 nan 0.000 0.474 354 E N 2.817 122.972 120.200 -0.075 0.000 2.261 354 E HA 0.109 4.459 4.350 -0.000 0.000 0.308 354 E C 0.694 177.197 176.600 -0.162 0.000 1.400 354 E CA -0.354 56.019 56.400 -0.046 0.000 1.542 354 E CB -0.044 29.688 29.700 0.053 0.000 1.369 354 E HN 0.663 nan 8.360 nan 0.000 0.493 355 A N 1.490 124.197 122.820 -0.188 0.000 1.940 355 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 355 A C 0.401 177.625 177.584 -0.600 0.000 1.176 355 A CA 1.213 53.048 52.037 -0.336 0.000 0.631 355 A CB 0.034 19.002 19.000 -0.053 0.000 0.814 355 A HN 0.346 nan 8.150 nan 0.000 0.446 356 F N -3.359 116.630 119.950 0.066 0.000 2.601 356 F HA 0.396 4.923 4.527 -0.000 0.000 0.309 356 F C 1.296 177.107 175.800 0.018 0.000 1.089 356 F CA -0.427 57.616 58.000 0.072 0.000 0.940 356 F CB 1.566 40.610 39.000 0.073 0.000 1.273 356 F HN -0.125 nan 8.300 nan 0.000 0.450 357 S N 1.316 117.151 115.700 0.225 0.000 2.370 357 S HA -0.159 4.310 4.470 -0.000 0.000 0.226 357 S C 2.117 176.669 174.600 -0.079 0.000 1.033 357 S CA 1.100 59.353 58.200 0.088 0.000 1.011 357 S CB -0.244 63.111 63.200 0.258 0.000 0.852 357 S HN 0.656 nan 8.310 nan 0.000 0.457 358 L N 2.326 123.570 121.223 0.035 0.000 2.034 358 L HA -0.171 4.168 4.340 -0.000 0.000 0.217 358 L C 2.152 178.970 176.870 -0.087 0.000 1.077 358 L CA 2.036 56.854 54.840 -0.037 0.000 0.769 358 L CB -1.297 40.739 42.059 -0.037 0.000 0.890 358 L HN 0.214 nan 8.230 nan 0.000 0.435 359 V N -0.084 119.820 119.914 -0.017 0.000 2.252 359 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 359 V C 2.788 178.808 176.094 -0.124 0.000 1.056 359 V CA 1.912 64.190 62.300 -0.036 0.000 1.022 359 V CB -0.707 31.175 31.823 0.098 0.000 0.641 359 V HN 0.390 nan 8.190 nan 0.000 0.445 360 V N -0.233 119.553 119.914 -0.213 0.000 2.332 360 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 360 V C 2.301 178.193 176.094 -0.337 0.000 1.055 360 V CA 2.090 64.195 62.300 -0.326 0.000 1.038 360 V CB -0.714 30.738 31.823 -0.618 0.000 0.651 360 V HN 0.447 nan 8.190 nan 0.000 0.450 361 L N 0.240 121.246 121.223 -0.361 0.000 2.046 361 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 361 L C 2.781 179.546 176.870 -0.175 0.000 1.077 361 L CA 1.487 56.181 54.840 -0.243 0.000 0.747 361 L CB -0.862 41.086 42.059 -0.184 0.000 0.896 361 L HN 0.351 nan 8.230 nan 0.000 0.432 362 A N 0.108 122.831 122.820 -0.162 0.000 1.940 362 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 362 A C 2.116 179.606 177.584 -0.156 0.000 1.176 362 A CA 1.959 53.910 52.037 -0.144 0.000 0.631 362 A CB -0.644 18.272 19.000 -0.140 0.000 0.814 362 A HN 0.492 nan 8.150 nan 0.000 0.446 363 N N -0.315 118.284 118.700 -0.167 0.000 2.171 363 N HA -0.067 4.673 4.740 -0.000 0.000 0.184 363 N C 1.790 177.166 175.510 -0.223 0.000 1.021 363 N CA 1.511 54.451 53.050 -0.183 0.000 0.854 363 N CB -0.241 38.153 38.487 -0.154 0.000 0.994 363 N HN 0.512 nan 8.380 nan 0.000 0.426 364 I N 1.671 122.107 120.570 -0.222 0.000 2.163 364 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 364 I C 2.618 178.624 176.117 -0.185 0.000 1.085 364 I CA 1.216 62.379 61.300 -0.228 0.000 1.347 364 I CB -0.186 37.705 38.000 -0.181 0.000 1.044 364 I HN 0.138 nan 8.210 nan 0.000 0.408 365 K N 1.062 121.371 120.400 -0.151 0.000 2.002 365 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 365 K C 2.232 178.758 176.600 -0.123 0.000 1.048 365 K CA 1.617 57.832 56.287 -0.120 0.000 0.930 365 K CB -0.069 32.370 32.500 -0.102 0.000 0.714 365 K HN 0.173 nan 8.250 nan 0.000 0.438 366 M N 0.484 119.999 119.600 -0.141 0.000 2.229 366 M HA -0.109 4.371 4.480 -0.000 0.000 0.264 366 M C 1.984 178.194 176.300 -0.149 0.000 1.063 366 M CA 1.268 56.483 55.300 -0.142 0.000 1.114 366 M CB 0.012 32.507 32.600 -0.174 0.000 1.387 366 M HN 0.176 nan 8.290 nan 0.000 0.420 367 L N -0.472 120.641 121.223 -0.184 0.000 2.307 367 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 367 L C 0.178 176.949 176.870 -0.166 0.000 1.099 367 L CA 0.242 54.969 54.840 -0.190 0.000 0.816 367 L CB -0.103 41.781 42.059 -0.291 0.000 0.952 367 L HN 0.305 nan 8.230 nan 0.000 0.455 368 E N 1.254 121.354 120.200 -0.165 0.000 2.287 368 E HA -0.213 4.137 4.350 -0.000 0.000 0.229 368 E C -0.331 176.180 176.600 -0.147 0.000 1.194 368 E CA 0.312 56.635 56.400 -0.129 0.000 0.704 368 E CB -1.740 27.912 29.700 -0.081 0.000 1.216 368 E HN 0.585 nan 8.360 nan 0.000 0.381 369 I N -2.726 117.702 120.570 -0.236 0.000 2.822 369 I HA 0.499 4.669 4.170 -0.000 0.000 0.312 369 I C 0.361 176.361 176.117 -0.196 0.000 1.011 369 I CA -1.136 60.000 61.300 -0.273 0.000 1.105 369 I CB 1.330 38.945 38.000 -0.641 0.000 1.291 369 I HN -0.193 nan 8.210 nan 0.000 0.474 370 D N 5.207 125.535 120.400 -0.120 0.000 2.338 370 D HA 0.198 4.838 4.640 -0.000 0.000 0.255 370 D C -1.496 174.771 176.300 -0.055 0.000 1.237 370 D CA -2.401 51.567 54.000 -0.053 0.000 0.883 370 D CB 1.087 41.892 40.800 0.008 0.000 1.087 370 D HN 0.321 nan 8.370 nan 0.000 0.485 371 P HA -0.175 nan 4.420 nan 0.000 0.221 371 P C 0.882 178.204 177.300 0.036 0.000 1.145 371 P CA 0.847 63.944 63.100 -0.006 0.000 0.795 371 P CB 0.358 32.068 31.700 0.017 0.000 0.775 372 Q N -0.109 119.711 119.800 0.034 0.000 2.436 372 Q HA -0.026 4.314 4.340 -0.000 0.000 0.209 372 Q C 1.555 177.600 176.000 0.075 0.000 0.965 372 Q CA 0.985 56.816 55.803 0.047 0.000 0.910 372 Q CB -0.223 28.537 28.738 0.036 0.000 0.980 372 Q HN 0.431 nan 8.270 nan 0.000 0.491 373 K N -0.039 120.421 120.400 0.101 0.000 2.374 373 K HA 0.173 4.492 4.320 -0.000 0.000 0.196 373 K C -0.185 176.561 176.600 0.244 0.000 1.023 373 K CA -0.037 56.362 56.287 0.187 0.000 1.103 373 K CB 1.115 33.783 32.500 0.279 0.000 0.848 373 K HN -0.116 nan 8.250 nan 0.000 0.528 374 V N 2.720 122.728 119.914 0.156 0.000 2.370 374 V HA 0.121 4.241 4.120 -0.000 0.000 0.283 374 V C -0.195 176.005 176.094 0.176 0.000 1.023 374 V CA -1.000 61.405 62.300 0.175 0.000 0.857 374 V CB 1.191 33.060 31.823 0.076 0.000 0.985 374 V HN 0.422 nan 8.190 nan 0.000 0.443 375 N N 2.757 121.572 118.700 0.191 0.000 2.725 375 N HA -0.217 4.523 4.740 -0.000 0.000 0.251 375 N C 0.899 176.468 175.510 0.099 0.000 1.031 375 N CA 1.174 54.315 53.050 0.152 0.000 0.720 375 N CB -0.733 37.863 38.487 0.181 0.000 0.930 375 N HN 0.929 nan 8.380 nan 0.000 0.543 376 I N -3.761 116.875 120.570 0.110 0.000 2.614 376 I HA -0.077 4.093 4.170 -0.000 0.000 0.258 376 I C 0.715 176.856 176.117 0.039 0.000 1.189 376 I CA 1.340 62.683 61.300 0.073 0.000 1.462 376 I CB -0.012 38.036 38.000 0.079 0.000 1.092 376 I HN 0.001 nan 8.210 nan 0.000 0.442 377 N N 1.753 120.477 118.700 0.041 0.000 2.389 377 N HA 0.334 5.074 4.740 -0.000 0.000 0.260 377 N C 0.509 176.014 175.510 -0.009 0.000 1.191 377 N CA 0.802 53.844 53.050 -0.014 0.000 0.885 377 N CB 1.061 39.514 38.487 -0.056 0.000 1.162 377 N HN 0.648 nan 8.380 nan 0.000 0.512 378 G N -0.659 108.133 108.800 -0.013 0.000 2.627 378 G HA2 0.184 4.144 3.960 -0.000 0.000 0.214 378 G HA3 0.184 4.144 3.960 -0.000 0.000 0.214 378 G C -0.248 174.632 174.900 -0.033 0.000 1.331 378 G CA -0.529 44.552 45.100 -0.031 0.000 0.891 378 G HN 0.604 nan 8.290 nan 0.000 0.539 379 G N -3.281 105.489 108.800 -0.050 0.000 2.428 379 G HA2 0.729 4.689 3.960 -0.000 0.000 0.304 379 G HA3 0.729 4.689 3.960 -0.000 0.000 0.304 379 G C 0.907 175.769 174.900 -0.063 0.000 1.303 379 G CA 1.138 46.216 45.100 -0.036 0.000 0.825 379 G HN 2.164 nan 8.290 nan 0.000 0.484 380 A N -0.810 121.967 122.820 -0.072 0.000 2.032 380 A HA 0.068 4.388 4.320 -0.000 0.000 0.221 380 A C 2.497 180.029 177.584 -0.087 0.000 1.165 380 A CA 2.644 54.622 52.037 -0.098 0.000 0.645 380 A CB -0.582 18.270 19.000 -0.245 0.000 0.807 380 A HN 1.131 nan 8.150 nan 0.000 0.453 381 V N 0.402 120.268 119.914 -0.079 0.000 2.490 381 V HA -0.211 3.908 4.120 -0.000 0.000 0.250 381 V C 2.764 178.710 176.094 -0.245 0.000 1.061 381 V CA 2.402 64.659 62.300 -0.071 0.000 1.064 381 V CB -0.358 31.490 31.823 0.042 0.000 0.670 381 V HN 0.855 nan 8.190 nan 0.000 0.461 382 S N -1.882 113.572 115.700 -0.409 0.000 2.539 382 S HA 0.207 4.677 4.470 -0.000 0.000 0.226 382 S C 1.585 176.072 174.600 -0.187 0.000 1.054 382 S CA 0.031 57.786 58.200 -0.742 0.000 0.910 382 S CB 0.007 62.620 63.200 -0.980 0.000 0.818 382 S HN 0.434 nan 8.310 nan 0.000 0.490 383 L N 1.503 122.677 121.223 -0.082 0.000 2.477 383 L HA 0.421 4.761 4.340 -0.000 0.000 0.220 383 L C 1.305 178.197 176.870 0.036 0.000 1.106 383 L CA 0.444 55.298 54.840 0.022 0.000 0.851 383 L CB -0.524 41.532 42.059 -0.006 0.000 0.994 383 L HN 0.637 nan 8.230 nan 0.000 0.462 384 G N -0.140 108.673 108.800 0.022 0.000 2.663 384 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 384 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 384 G C -1.007 173.957 174.900 0.108 0.000 1.288 384 G CA -0.674 44.465 45.100 0.064 0.000 0.836 384 G HN 0.286 nan 8.290 nan 0.000 0.584 385 H N 1.025 120.082 119.070 -0.021 0.000 2.429 385 H HA 0.543 5.099 4.556 -0.000 0.000 0.231 385 H C -2.549 172.762 175.328 -0.029 0.000 1.416 385 H CA -2.128 53.898 56.048 -0.037 0.000 1.443 385 H CB 0.987 30.703 29.762 -0.077 0.000 1.591 385 H HN 0.365 nan 8.280 nan 0.000 0.507 386 P HA 0.066 nan 4.420 nan 0.000 0.273 386 P C 1.675 178.911 177.300 -0.106 0.000 1.319 386 P CA -0.134 62.940 63.100 -0.045 0.000 0.885 386 P CB -0.042 31.666 31.700 0.014 0.000 1.015 387 I N 0.922 121.316 120.570 -0.292 0.000 2.194 387 I HA -0.193 3.977 4.170 -0.000 0.000 0.246 387 I C 1.883 177.935 176.117 -0.109 0.000 1.093 387 I CA 2.031 63.098 61.300 -0.388 0.000 1.355 387 I CB -1.355 36.377 38.000 -0.448 0.000 1.046 387 I HN 0.234 nan 8.210 nan 0.000 0.413 388 G N 1.701 110.458 108.800 -0.071 0.000 2.534 388 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.217 388 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.217 388 G C 1.571 176.477 174.900 0.010 0.000 1.128 388 G CA 0.971 46.056 45.100 -0.025 0.000 0.784 388 G HN 0.659 nan 8.290 nan 0.000 0.542 389 M N -1.212 118.402 119.600 0.025 0.000 2.567 389 M HA 0.424 4.904 4.480 -0.000 0.000 0.261 389 M C 2.116 178.459 176.300 0.072 0.000 1.180 389 M CA 1.221 56.549 55.300 0.046 0.000 1.143 389 M CB 0.161 32.786 32.600 0.042 0.000 1.319 389 M HN -0.113 nan 8.290 nan 0.000 0.490 390 S N 1.540 117.307 115.700 0.111 0.000 2.387 390 S HA -0.083 4.387 4.470 -0.000 0.000 0.230 390 S C 2.022 176.673 174.600 0.086 0.000 1.035 390 S CA 1.736 60.011 58.200 0.125 0.000 1.014 390 S CB -1.256 62.075 63.200 0.219 0.000 0.836 390 S HN 0.797 nan 8.310 nan 0.000 0.466 391 G N 0.963 109.812 108.800 0.082 0.000 2.422 391 G HA2 -0.033 3.926 3.960 -0.000 0.000 0.218 391 G HA3 -0.033 3.926 3.960 -0.000 0.000 0.218 391 G C 1.492 176.424 174.900 0.054 0.000 1.146 391 G CA 0.917 46.054 45.100 0.062 0.000 0.769 391 G HN 0.596 nan 8.290 nan 0.000 0.547 392 A N 0.545 123.397 122.820 0.053 0.000 1.898 392 A HA 0.122 4.442 4.320 -0.000 0.000 0.214 392 A C 2.283 179.910 177.584 0.072 0.000 1.183 392 A CA 1.578 53.647 52.037 0.053 0.000 0.622 392 A CB -0.444 18.584 19.000 0.047 0.000 0.824 392 A HN 0.329 nan 8.150 nan 0.000 0.444 393 R N 0.595 121.142 120.500 0.079 0.000 2.096 393 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 393 R C 2.088 178.464 176.300 0.126 0.000 1.139 393 R CA 2.269 58.427 56.100 0.097 0.000 0.952 393 R CB -0.663 29.683 30.300 0.077 0.000 0.854 393 R HN 0.699 nan 8.270 nan 0.000 0.436 394 I N -1.949 118.685 120.570 0.107 0.000 2.394 394 I HA -0.118 4.051 4.170 -0.000 0.000 0.251 394 I C 1.884 178.082 176.117 0.136 0.000 1.136 394 I CA 0.940 62.317 61.300 0.129 0.000 1.425 394 I CB -0.296 37.762 38.000 0.097 0.000 1.079 394 I HN -0.062 nan 8.210 nan 0.000 0.425 395 V N 2.361 122.333 119.914 0.096 0.000 2.379 395 V HA -0.090 4.030 4.120 -0.000 0.000 0.245 395 V C 2.893 179.026 176.094 0.064 0.000 1.044 395 V CA 2.072 64.412 62.300 0.067 0.000 1.036 395 V CB -1.377 30.471 31.823 0.042 0.000 0.664 395 V HN 0.620 nan 8.190 nan 0.000 0.453 396 G N -0.895 107.961 108.800 0.094 0.000 2.442 396 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.219 396 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.219 396 G C 1.462 176.480 174.900 0.197 0.000 1.141 396 G CA 1.438 46.610 45.100 0.120 0.000 0.763 396 G HN 0.642 nan 8.290 nan 0.000 0.554 397 H N 0.276 119.427 119.070 0.135 0.000 2.357 397 H HA 0.151 4.707 4.556 -0.000 0.000 0.301 397 H C 2.562 177.942 175.328 0.086 0.000 1.082 397 H CA 1.172 57.310 56.048 0.149 0.000 1.342 397 H CB -0.252 29.590 29.762 0.134 0.000 1.389 397 H HN 0.257 nan 8.280 nan 0.000 0.511 398 L N -0.468 120.754 121.223 -0.000 0.000 2.012 398 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 398 L C 2.435 179.226 176.870 -0.131 0.000 1.073 398 L CA 1.876 56.672 54.840 -0.074 0.000 0.748 398 L CB -0.699 41.354 42.059 -0.010 0.000 0.891 398 L HN 0.375 nan 8.230 nan 0.000 0.431 399 T N -1.872 112.606 114.554 -0.127 0.000 2.699 399 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 399 T C 1.748 176.271 174.700 -0.296 0.000 1.036 399 T CA 1.457 63.425 62.100 -0.219 0.000 1.147 399 T CB -0.326 68.375 68.868 -0.280 0.000 0.862 399 T HN 0.408 nan 8.240 nan 0.000 0.446 400 H N 0.122 119.102 119.070 -0.149 0.000 2.415 400 H HA 0.322 4.877 4.556 -0.000 0.000 0.297 400 H C 2.560 177.754 175.328 -0.223 0.000 1.048 400 H CA 1.165 57.113 56.048 -0.166 0.000 1.365 400 H CB -0.257 29.414 29.762 -0.151 0.000 1.421 400 H HN 0.409 nan 8.280 nan 0.000 0.533 401 A N 1.317 124.002 122.820 -0.225 0.000 1.975 401 A HA 0.088 4.408 4.320 -0.000 0.000 0.215 401 A C 1.414 178.904 177.584 -0.157 0.000 1.170 401 A CA -0.065 51.816 52.037 -0.260 0.000 0.656 401 A CB -0.502 18.226 19.000 -0.454 0.000 0.821 401 A HN 0.122 nan 8.150 nan 0.000 0.449 402 L N 0.685 121.825 121.223 -0.139 0.000 2.483 402 L HA 0.073 4.413 4.340 -0.000 0.000 0.276 402 L C 0.283 177.097 176.870 -0.094 0.000 1.213 402 L CA 0.084 54.862 54.840 -0.103 0.000 0.843 402 L CB 0.488 42.486 42.059 -0.102 0.000 1.107 402 L HN 0.246 nan 8.230 nan 0.000 0.487 403 K N 1.848 122.199 120.400 -0.082 0.000 2.098 403 K HA 0.192 4.512 4.320 -0.000 0.000 0.261 403 K C -0.360 176.186 176.600 -0.090 0.000 0.987 403 K CA -0.690 55.551 56.287 -0.076 0.000 0.916 403 K CB 1.028 33.491 32.500 -0.061 0.000 1.039 403 K HN 0.463 nan 8.250 nan 0.000 0.455 404 Q N 0.627 120.376 119.800 -0.084 0.000 2.398 404 Q HA -0.149 4.190 4.340 -0.000 0.000 0.329 404 Q C 0.696 176.626 176.000 -0.116 0.000 1.079 404 Q CA 1.596 57.343 55.803 -0.094 0.000 1.041 404 Q CB -0.031 28.663 28.738 -0.074 0.000 1.084 404 Q HN 0.867 nan 8.270 nan 0.000 0.386 405 G N 3.068 111.774 108.800 -0.156 0.000 2.253 405 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.251 405 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.251 405 G C -0.169 174.546 174.900 -0.308 0.000 0.998 405 G CA 0.344 45.315 45.100 -0.215 0.000 0.621 405 G HN 0.672 nan 8.290 nan 0.000 0.524 406 E N -0.075 119.990 120.200 -0.225 0.000 2.383 406 E HA 0.428 4.778 4.350 -0.000 0.000 0.264 406 E C -0.557 175.890 176.600 -0.254 0.000 1.050 406 E CA -0.373 55.906 56.400 -0.202 0.000 0.896 406 E CB 0.472 30.110 29.700 -0.103 0.000 0.982 406 E HN 0.324 nan 8.360 nan 0.000 0.424 407 Y N 0.179 120.423 120.300 -0.093 0.000 2.308 407 Y HA 0.425 4.974 4.550 -0.000 0.000 0.329 407 Y C 0.788 176.583 175.900 -0.175 0.000 1.111 407 Y CA -0.384 57.641 58.100 -0.126 0.000 1.179 407 Y CB 1.846 40.224 38.460 -0.137 0.000 1.201 407 Y HN 0.485 nan 8.280 nan 0.000 0.483 408 G N 3.600 112.406 108.800 0.009 0.000 2.513 408 G HA2 0.596 4.556 3.960 -0.000 0.000 0.317 408 G HA3 0.596 4.556 3.960 -0.000 0.000 0.317 408 G C -1.963 172.837 174.900 -0.166 0.000 1.277 408 G CA -0.717 44.319 45.100 -0.107 0.000 0.955 408 G HN 0.625 nan 8.290 nan 0.000 0.484 409 L N 2.128 123.159 121.223 -0.319 0.000 2.343 409 L HA 0.765 5.105 4.340 -0.000 0.000 0.278 409 L C 0.135 176.960 176.870 -0.075 0.000 0.996 409 L CA -0.772 53.895 54.840 -0.289 0.000 0.831 409 L CB 1.588 43.264 42.059 -0.637 0.000 1.232 409 L HN 0.629 nan 8.230 nan 0.000 0.413 410 A N 3.329 126.158 122.820 0.015 0.000 2.318 410 A HA 0.825 5.145 4.320 -0.000 0.000 0.324 410 A C -0.550 177.095 177.584 0.103 0.000 1.170 410 A CA -0.316 51.771 52.037 0.084 0.000 0.810 410 A CB 1.394 20.439 19.000 0.074 0.000 1.198 410 A HN 0.675 nan 8.150 nan 0.000 0.484 411 S N 1.328 117.105 115.700 0.129 0.000 2.569 411 S HA 0.816 5.285 4.470 -0.000 0.000 0.280 411 S C -0.865 173.796 174.600 0.101 0.000 1.111 411 S CA -0.568 57.705 58.200 0.121 0.000 0.887 411 S CB 1.432 64.720 63.200 0.146 0.000 1.095 411 S HN 1.361 nan 8.310 nan 0.000 0.476 412 I N 1.782 122.409 120.570 0.095 0.000 2.627 412 I HA 0.445 4.615 4.170 -0.000 0.000 0.288 412 I C -0.369 175.811 176.117 0.106 0.000 1.202 412 I CA -0.683 60.669 61.300 0.086 0.000 1.050 412 I CB 1.089 39.132 38.000 0.072 0.000 1.264 412 I HN 1.232 nan 8.210 nan 0.000 0.429 413 C N 5.467 124.849 119.300 0.136 0.000 2.580 413 C HA 0.682 5.141 4.460 -0.000 0.000 0.371 413 C C -0.172 174.897 174.990 0.131 0.000 1.308 413 C CA -0.295 58.838 59.018 0.192 0.000 2.428 413 C CB 0.455 28.410 27.740 0.359 0.000 2.529 413 C HN 0.883 nan 8.230 nan 0.000 0.657 414 N N 0.114 118.871 118.700 0.094 0.000 2.396 414 N HA 0.391 5.131 4.740 -0.000 0.000 0.275 414 N C -0.359 175.076 175.510 -0.125 0.000 1.218 414 N CA -0.248 52.788 53.050 -0.023 0.000 0.812 414 N CB 1.625 40.115 38.487 0.005 0.000 1.592 414 N HN 1.132 nan 8.380 nan 0.000 0.480 415 G N -0.932 107.733 108.800 -0.226 0.000 2.224 415 G HA2 0.331 4.291 3.960 -0.000 0.000 0.239 415 G HA3 0.331 4.291 3.960 -0.000 0.000 0.239 415 G C 1.154 176.021 174.900 -0.055 0.000 1.240 415 G CA 0.636 45.598 45.100 -0.231 0.000 0.896 415 G HN 1.405 nan 8.290 nan 0.000 0.496 416 G N 0.661 109.478 108.800 0.029 0.000 2.231 416 G HA2 0.259 4.219 3.960 -0.000 0.000 0.206 416 G HA3 0.259 4.219 3.960 -0.000 0.000 0.206 416 G C 1.236 176.213 174.900 0.128 0.000 0.996 416 G CA 0.817 46.003 45.100 0.143 0.000 0.645 416 G HN 2.614 nan 8.290 nan 0.000 0.498 417 G N -0.941 107.951 108.800 0.153 0.000 2.143 417 G HA2 0.366 4.325 3.960 -0.000 0.000 0.175 417 G HA3 0.366 4.325 3.960 -0.000 0.000 0.175 417 G C 0.998 175.986 174.900 0.148 0.000 1.004 417 G CA 0.855 46.061 45.100 0.177 0.000 0.671 417 G HN 1.971 nan 8.290 nan 0.000 0.512 418 G N -0.828 108.050 108.800 0.131 0.000 2.491 418 G HA2 1.022 4.981 3.960 -0.000 0.000 0.327 418 G HA3 1.022 4.981 3.960 -0.000 0.000 0.327 418 G C -0.213 174.766 174.900 0.132 0.000 1.189 418 G CA 0.042 45.208 45.100 0.110 0.000 0.956 418 G HN 1.665 nan 8.290 nan 0.000 0.491 419 A N -0.374 122.517 122.820 0.118 0.000 2.594 419 A HA 0.812 5.132 4.320 -0.000 0.000 0.295 419 A C -0.470 177.175 177.584 0.102 0.000 1.071 419 A CA -0.503 51.605 52.037 0.118 0.000 0.685 419 A CB 1.492 20.574 19.000 0.137 0.000 1.285 419 A HN 0.961 nan 8.150 nan 0.000 0.405 420 S N -0.574 115.182 115.700 0.094 0.000 2.566 420 S HA 0.929 5.399 4.470 -0.000 0.000 0.298 420 S C -0.239 174.422 174.600 0.103 0.000 1.083 420 S CA 0.055 58.310 58.200 0.092 0.000 0.978 420 S CB 1.812 65.050 63.200 0.064 0.000 1.073 420 S HN 1.944 nan 8.310 nan 0.000 0.491 421 A N 1.799 124.690 122.820 0.119 0.000 2.572 421 A HA 0.881 5.201 4.320 -0.000 0.000 0.295 421 A C -1.246 176.425 177.584 0.145 0.000 1.072 421 A CA -0.662 51.446 52.037 0.118 0.000 0.691 421 A CB 1.665 20.734 19.000 0.115 0.000 1.291 421 A HN 0.823 nan 8.150 nan 0.000 0.404 422 M N 1.713 121.383 119.600 0.117 0.000 2.371 422 M HA 0.645 5.125 4.480 -0.000 0.000 0.287 422 M C -2.361 173.980 176.300 0.069 0.000 1.149 422 M CA -0.789 54.599 55.300 0.147 0.000 0.929 422 M CB 1.787 34.465 32.600 0.130 0.000 1.683 422 M HN 0.784 nan 8.290 nan 0.000 0.470 423 L N 7.046 128.305 121.223 0.061 0.000 2.296 423 L HA 0.769 5.109 4.340 -0.000 0.000 0.286 423 L C -1.196 175.709 176.870 0.057 0.000 1.023 423 L CA -0.377 54.465 54.840 0.002 0.000 0.812 423 L CB 1.348 43.367 42.059 -0.067 0.000 1.223 423 L HN 0.737 nan 8.230 nan 0.000 0.421 424 I N 1.381 121.986 120.570 0.058 0.000 2.846 424 I HA 0.642 4.812 4.170 -0.000 0.000 0.307 424 I C -1.062 175.114 176.117 0.098 0.000 1.053 424 I CA -0.742 60.599 61.300 0.068 0.000 1.050 424 I CB 2.019 40.033 38.000 0.023 0.000 1.239 424 I HN 0.748 nan 8.210 nan 0.000 0.439 425 Q N 3.557 123.378 119.800 0.035 0.000 2.310 425 Q HA 0.353 4.693 4.340 -0.000 0.000 0.270 425 Q C -1.145 174.780 176.000 -0.124 0.000 1.025 425 Q CA -0.924 54.819 55.803 -0.100 0.000 0.772 425 Q CB 1.797 30.409 28.738 -0.211 0.000 1.253 425 Q HN 0.560 nan 8.270 nan 0.000 0.450 426 K N 2.679 122.988 120.400 -0.151 0.000 2.436 426 K HA 0.130 4.450 4.320 -0.000 0.000 0.275 426 K C -0.377 176.147 176.600 -0.126 0.000 0.999 426 K CA 0.050 56.260 56.287 -0.129 0.000 0.980 426 K CB 0.477 32.902 32.500 -0.126 0.000 0.919 426 K HN 0.470 nan 8.250 nan 0.000 0.484 427 L N 0.000 121.164 121.223 -0.099 0.000 2.949 427 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 427 L CA 0.000 54.790 54.840 -0.083 0.000 0.813 427 L CB 0.000 42.019 42.059 -0.067 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502