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 1lzl_1_A DATA FIRST_RESID 2 DATA SEQUENCE TTFPTLDPEL AAALTMLPKV DFADLPNARA TYDALIGAML ADLSFDGVSL DATA SEQUENCE RELSAPGLDG DPEVKIRFVT PDNTAGPVPV LLWIHGGGFA IGTAESSDPF DATA SEQUENCE CVEVARELGF AVANVEYRLA PETTFPGPVN DCYAALLYIH AHAEELGIDP DATA SEQUENCE SRIAVGGQSA GGGLAAGTVL KARDEGVVPV AFQFLEIPEL DDRLETVSMT DATA SEQUENCE NFVDTPLWHR PNAILSWKYY LGESYSGPED PDVSIYAAPS RATDLTGLPP DATA SEQUENCE TYLSTMELDP LRDEGIEYAL RLLQAGVSVE LHSFPGTFHG SALVATAAVS DATA SEQUENCE ERGAAEALTA IRRGLRS 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.650 174.700 -0.084 0.000 1.109 2 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 2 T CB 0.000 68.853 68.868 -0.025 0.000 0.612 3 T N 1.485 115.951 114.554 -0.147 0.000 2.821 3 T HA 0.247 4.596 4.350 -0.001 0.000 0.267 3 T C -0.087 174.251 174.700 -0.603 0.000 1.046 3 T CA 1.111 62.975 62.100 -0.394 0.000 1.139 3 T CB -0.315 68.263 68.868 -0.483 0.000 0.871 3 T HN 0.454 nan 8.240 nan 0.000 0.454 4 F N 1.204 121.147 119.950 -0.010 0.000 2.550 4 F HA 0.354 4.881 4.527 -0.001 0.000 0.348 4 F C -1.984 173.826 175.800 0.016 0.000 1.219 4 F CA -2.750 55.247 58.000 -0.005 0.000 1.203 4 F CB 1.503 40.486 39.000 -0.028 0.000 1.436 4 F HN -0.058 nan 8.300 nan 0.000 0.541 5 P HA -0.086 nan 4.420 nan 0.000 0.226 5 P C 1.468 178.835 177.300 0.112 0.000 1.153 5 P CA 1.126 64.285 63.100 0.098 0.000 0.777 5 P CB -0.119 31.616 31.700 0.058 0.000 0.794 6 T N -3.645 110.992 114.554 0.139 0.000 3.113 6 T HA 0.096 4.445 4.350 -0.001 0.000 0.256 6 T C 0.878 175.649 174.700 0.119 0.000 1.131 6 T CA -0.186 61.986 62.100 0.120 0.000 1.074 6 T CB -0.764 68.179 68.868 0.125 0.000 0.944 6 T HN -0.039 nan 8.240 nan 0.000 0.516 7 L N 2.554 123.862 121.223 0.142 0.000 2.514 7 L HA 0.101 4.441 4.340 -0.001 0.000 0.280 7 L C 0.759 177.692 176.870 0.105 0.000 1.223 7 L CA -0.199 54.719 54.840 0.130 0.000 0.864 7 L CB 0.271 42.425 42.059 0.158 0.000 1.118 7 L HN 0.313 nan 8.230 nan 0.000 0.494 8 D N 5.076 125.530 120.400 0.090 0.000 2.487 8 D HA -0.016 4.623 4.640 -0.001 0.000 0.243 8 D C -1.648 174.695 176.300 0.072 0.000 1.154 8 D CA -1.206 52.835 54.000 0.069 0.000 0.876 8 D CB 1.532 42.361 40.800 0.048 0.000 1.161 8 D HN 0.250 nan 8.370 nan 0.000 0.478 9 P HA -0.146 nan 4.420 nan 0.000 0.217 9 P C 0.929 178.263 177.300 0.056 0.000 1.148 9 P CA 1.063 64.199 63.100 0.059 0.000 0.828 9 P CB 0.269 31.997 31.700 0.047 0.000 0.783 10 E N -1.014 119.214 120.200 0.046 0.000 2.150 10 E HA -0.120 4.230 4.350 -0.001 0.000 0.193 10 E C 1.860 178.490 176.600 0.049 0.000 0.985 10 E CA 0.839 57.261 56.400 0.036 0.000 0.814 10 E CB -0.353 29.359 29.700 0.019 0.000 0.752 10 E HN 0.298 nan 8.360 nan 0.000 0.466 11 L N -0.023 121.242 121.223 0.070 0.000 2.102 11 L HA -0.001 4.338 4.340 -0.001 0.000 0.202 11 L C 2.614 179.589 176.870 0.175 0.000 1.076 11 L CA 0.557 55.473 54.840 0.126 0.000 0.761 11 L CB -0.478 41.664 42.059 0.138 0.000 0.921 11 L HN 0.080 nan 8.230 nan 0.000 0.444 12 A N 0.811 123.717 122.820 0.143 0.000 1.944 12 A HA -0.385 3.934 4.320 -0.001 0.000 0.222 12 A C 2.504 180.142 177.584 0.091 0.000 1.237 12 A CA 2.551 54.658 52.037 0.118 0.000 0.668 12 A CB -0.986 18.072 19.000 0.097 0.000 0.830 12 A HN 0.463 nan 8.150 nan 0.000 0.471 13 A N -0.417 122.450 122.820 0.078 0.000 1.869 13 A HA 0.040 4.359 4.320 -0.001 0.000 0.218 13 A C 2.507 180.128 177.584 0.063 0.000 1.203 13 A CA 2.806 54.879 52.037 0.060 0.000 0.638 13 A CB -1.273 17.757 19.000 0.050 0.000 0.831 13 A HN 1.469 nan 8.150 nan 0.000 0.450 14 A N -1.615 121.255 122.820 0.084 0.000 2.225 14 A HA 0.124 4.443 4.320 -0.001 0.000 0.215 14 A C 1.930 179.563 177.584 0.082 0.000 1.164 14 A CA 1.389 53.480 52.037 0.090 0.000 0.710 14 A CB -0.460 18.613 19.000 0.122 0.000 0.780 14 A HN 0.507 nan 8.150 nan 0.000 0.473 15 L N -0.195 121.063 121.223 0.058 0.000 2.341 15 L HA -0.036 4.303 4.340 -0.001 0.000 0.214 15 L C 2.591 179.465 176.870 0.006 0.000 1.115 15 L CA 2.118 56.952 54.840 -0.009 0.000 0.820 15 L CB -0.320 41.715 42.059 -0.039 0.000 0.944 15 L HN 0.526 nan 8.230 nan 0.000 0.452 16 T N -4.479 110.090 114.554 0.025 0.000 3.055 16 T HA -0.079 4.270 4.350 -0.001 0.000 0.265 16 T C 1.546 176.261 174.700 0.024 0.000 1.111 16 T CA 0.808 62.922 62.100 0.023 0.000 1.118 16 T CB -0.162 68.720 68.868 0.024 0.000 0.909 16 T HN 0.106 nan 8.240 nan 0.000 0.501 17 M N 0.464 120.082 119.600 0.029 0.000 2.394 17 M HA 0.398 4.877 4.480 -0.001 0.000 0.266 17 M C 0.647 176.970 176.300 0.038 0.000 1.098 17 M CA 0.194 55.513 55.300 0.032 0.000 1.149 17 M CB -0.600 32.020 32.600 0.035 0.000 1.369 17 M HN 0.131 nan 8.290 nan 0.000 0.450 18 L N 3.885 125.130 121.223 0.037 0.000 2.737 18 L HA -0.030 4.309 4.340 -0.001 0.000 0.275 18 L C -1.575 175.327 176.870 0.052 0.000 1.179 18 L CA -0.986 53.881 54.840 0.045 0.000 0.970 18 L CB -0.468 41.595 42.059 0.006 0.000 1.268 18 L HN 0.117 nan 8.230 nan 0.000 0.485 19 P HA 0.022 nan 4.420 nan 0.000 0.269 19 P C -0.887 176.475 177.300 0.104 0.000 1.215 19 P CA -0.212 62.939 63.100 0.085 0.000 0.780 19 P CB 0.621 32.381 31.700 0.101 0.000 0.898 20 K N 1.171 121.634 120.400 0.105 0.000 2.297 20 K HA 0.287 4.606 4.320 -0.001 0.000 0.286 20 K C -0.512 176.187 176.600 0.165 0.000 1.053 20 K CA -0.631 55.734 56.287 0.130 0.000 0.940 20 K CB 0.993 33.562 32.500 0.115 0.000 1.019 20 K HN 0.218 nan 8.250 nan 0.000 0.475 21 V N 3.824 123.859 119.914 0.202 0.000 2.259 21 V HA 0.010 4.129 4.120 -0.001 0.000 0.267 21 V C -0.305 175.967 176.094 0.297 0.000 1.051 21 V CA -0.777 61.677 62.300 0.256 0.000 0.830 21 V CB 0.493 32.495 31.823 0.300 0.000 1.080 21 V HN 0.666 nan 8.190 nan 0.000 0.467 22 D N 2.972 123.533 120.400 0.269 0.000 2.317 22 D HA 0.247 4.886 4.640 -0.001 0.000 0.234 22 D C 0.648 177.172 176.300 0.373 0.000 1.112 22 D CA -0.427 53.743 54.000 0.283 0.000 0.840 22 D CB 0.953 41.867 40.800 0.189 0.000 1.078 22 D HN 0.216 nan 8.370 nan 0.000 0.486 23 F N 2.889 122.907 119.950 0.112 0.000 2.494 23 F HA 0.041 4.567 4.527 -0.001 0.000 0.298 23 F C 2.342 178.286 175.800 0.240 0.000 1.106 23 F CA 0.723 58.843 58.000 0.201 0.000 1.452 23 F CB -0.577 38.533 39.000 0.185 0.000 1.085 23 F HN 0.612 nan 8.300 nan 0.000 0.569 24 A N -1.207 121.789 122.820 0.294 0.000 2.015 24 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 24 A C 0.859 178.544 177.584 0.168 0.000 1.163 24 A CA 1.420 53.585 52.037 0.214 0.000 0.646 24 A CB -0.383 18.703 19.000 0.142 0.000 0.806 24 A HN 0.190 nan 8.150 nan 0.000 0.448 25 D N -0.454 120.023 120.400 0.128 0.000 2.458 25 D HA 0.328 4.967 4.640 -0.001 0.000 0.258 25 D C 0.633 176.944 176.300 0.019 0.000 1.134 25 D CA -0.525 53.517 54.000 0.070 0.000 0.915 25 D CB 0.547 41.384 40.800 0.062 0.000 1.028 25 D HN -0.019 nan 8.370 nan 0.000 0.508 26 L N 5.051 126.250 121.223 -0.040 0.000 2.046 26 L HA 0.091 4.430 4.340 -0.001 0.000 0.208 26 L C -0.957 175.843 176.870 -0.118 0.000 1.077 26 L CA 1.738 56.474 54.840 -0.172 0.000 0.747 26 L CB -0.987 40.878 42.059 -0.323 0.000 0.896 26 L HN 0.318 nan 8.230 nan 0.000 0.432 27 P HA -0.145 nan 4.420 nan 0.000 0.215 27 P C 1.224 178.517 177.300 -0.013 0.000 1.153 27 P CA 1.527 64.602 63.100 -0.042 0.000 0.853 27 P CB -0.022 31.664 31.700 -0.024 0.000 0.788 28 N N -0.587 118.116 118.700 0.005 0.000 2.216 28 N HA -0.086 4.654 4.740 -0.001 0.000 0.183 28 N C 1.648 177.189 175.510 0.051 0.000 1.017 28 N CA 1.137 54.205 53.050 0.031 0.000 0.861 28 N CB -0.711 37.801 38.487 0.042 0.000 0.986 28 N HN -0.088 nan 8.380 nan 0.000 0.428 29 A N 0.855 123.701 122.820 0.043 0.000 1.883 29 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 29 A C 2.208 179.842 177.584 0.084 0.000 1.186 29 A CA 1.438 53.520 52.037 0.075 0.000 0.624 29 A CB -0.621 18.386 19.000 0.012 0.000 0.822 29 A HN 0.347 nan 8.150 nan 0.000 0.444 30 R N -0.770 119.738 120.500 0.013 0.000 2.105 30 R HA -0.097 4.243 4.340 -0.001 0.000 0.239 30 R C 2.430 178.782 176.300 0.087 0.000 1.135 30 R CA 1.268 57.394 56.100 0.043 0.000 0.967 30 R CB -0.385 29.903 30.300 -0.020 0.000 0.861 30 R HN 0.552 nan 8.270 nan 0.000 0.442 31 A N 0.098 122.955 122.820 0.062 0.000 1.874 31 A HA -0.136 4.183 4.320 -0.001 0.000 0.214 31 A C 2.238 179.865 177.584 0.072 0.000 1.189 31 A CA 1.756 53.825 52.037 0.053 0.000 0.615 31 A CB -0.889 18.132 19.000 0.034 0.000 0.830 31 A HN 0.428 nan 8.150 nan 0.000 0.443 32 T N -2.853 111.758 114.554 0.095 0.000 2.867 32 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 32 T C 1.780 176.567 174.700 0.144 0.000 1.057 32 T CA 1.787 63.950 62.100 0.104 0.000 1.136 32 T CB -0.470 68.465 68.868 0.111 0.000 0.874 32 T HN 0.435 nan 8.240 nan 0.000 0.466 33 Y N 1.969 122.304 120.300 0.057 0.000 2.163 33 Y HA 0.027 4.576 4.550 -0.001 0.000 0.288 33 Y C 1.929 177.848 175.900 0.031 0.000 1.136 33 Y CA 1.710 59.847 58.100 0.060 0.000 1.147 33 Y CB -0.562 37.946 38.460 0.079 0.000 0.987 33 Y HN 0.216 nan 8.280 nan 0.000 0.509 34 D N -0.231 120.203 120.400 0.057 0.000 2.263 34 D HA -0.126 4.513 4.640 -0.001 0.000 0.208 34 D C 2.022 178.271 176.300 -0.085 0.000 0.971 34 D CA 1.260 55.233 54.000 -0.045 0.000 0.867 34 D CB -0.267 40.545 40.800 0.020 0.000 0.929 34 D HN 0.476 nan 8.370 nan 0.000 0.492 35 A N -0.085 122.705 122.820 -0.049 0.000 1.984 35 A HA 0.097 4.416 4.320 -0.001 0.000 0.214 35 A C 2.026 179.567 177.584 -0.071 0.000 1.173 35 A CA 0.041 52.052 52.037 -0.044 0.000 0.673 35 A CB -0.392 18.603 19.000 -0.008 0.000 0.830 35 A HN 0.232 nan 8.150 nan 0.000 0.453 36 L N -0.811 120.353 121.223 -0.098 0.000 2.362 36 L HA -0.071 4.268 4.340 -0.001 0.000 0.219 36 L C 1.742 178.498 176.870 -0.190 0.000 1.134 36 L CA 0.759 55.535 54.840 -0.108 0.000 0.807 36 L CB -0.057 41.968 42.059 -0.056 0.000 0.927 36 L HN 0.311 nan 8.230 nan 0.000 0.447 37 I N -1.080 119.323 120.570 -0.278 0.000 2.899 37 I HA 0.085 4.254 4.170 -0.001 0.000 0.257 37 I C 2.485 178.520 176.117 -0.137 0.000 1.115 37 I CA 1.030 62.177 61.300 -0.256 0.000 1.451 37 I CB -1.171 36.596 38.000 -0.389 0.000 1.251 37 I HN 0.033 nan 8.210 nan 0.000 0.456 38 G N 0.499 109.231 108.800 -0.113 0.000 2.450 38 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.220 38 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.220 38 G C 1.757 176.631 174.900 -0.043 0.000 1.130 38 G CA 0.993 46.056 45.100 -0.061 0.000 0.760 38 G HN 0.477 nan 8.290 nan 0.000 0.557 39 A N 1.157 123.948 122.820 -0.048 0.000 1.940 39 A HA -0.105 4.214 4.320 -0.001 0.000 0.219 39 A C 2.365 179.931 177.584 -0.030 0.000 1.176 39 A CA 2.174 54.191 52.037 -0.033 0.000 0.631 39 A CB -0.401 18.580 19.000 -0.030 0.000 0.814 39 A HN 0.592 nan 8.150 nan 0.000 0.446 40 M N -1.017 118.557 119.600 -0.043 0.000 2.349 40 M HA 0.087 4.566 4.480 -0.001 0.000 0.266 40 M C 1.454 177.739 176.300 -0.024 0.000 1.076 40 M CA 1.507 56.784 55.300 -0.038 0.000 1.126 40 M CB -0.333 32.236 32.600 -0.052 0.000 1.392 40 M HN 0.278 nan 8.290 nan 0.000 0.440 41 L N 0.913 122.127 121.223 -0.015 0.000 2.291 41 L HA 0.039 4.378 4.340 -0.001 0.000 0.214 41 L C 2.978 179.876 176.870 0.048 0.000 1.120 41 L CA 0.554 55.408 54.840 0.024 0.000 0.799 41 L CB -0.955 41.122 42.059 0.031 0.000 0.925 41 L HN 0.444 nan 8.230 nan 0.000 0.446 42 A N 0.297 123.129 122.820 0.021 0.000 1.917 42 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 42 A C 1.585 179.189 177.584 0.033 0.000 1.182 42 A CA 2.022 54.073 52.037 0.022 0.000 0.633 42 A CB -0.307 18.696 19.000 0.005 0.000 0.819 42 A HN 0.437 nan 8.150 nan 0.000 0.448 43 D N -1.147 119.268 120.400 0.024 0.000 2.402 43 D HA 0.201 4.840 4.640 -0.001 0.000 0.216 43 D C -0.037 176.277 176.300 0.024 0.000 1.128 43 D CA -0.370 53.643 54.000 0.021 0.000 0.833 43 D CB 0.078 40.879 40.800 0.003 0.000 0.971 43 D HN 0.336 nan 8.370 nan 0.000 0.503 44 L N 1.624 122.872 121.223 0.041 0.000 2.455 44 L HA 0.089 4.428 4.340 -0.001 0.000 0.272 44 L C 0.243 177.130 176.870 0.029 0.000 1.174 44 L CA 0.056 54.887 54.840 -0.016 0.000 0.869 44 L CB 1.121 43.143 42.059 -0.062 0.000 1.130 44 L HN -0.231 nan 8.230 nan 0.000 0.474 45 S N 4.139 119.794 115.700 -0.074 0.000 2.513 45 S HA 0.369 4.838 4.470 -0.001 0.000 0.276 45 S C 0.270 174.770 174.600 -0.166 0.000 1.254 45 S CA -0.333 57.852 58.200 -0.025 0.000 1.053 45 S CB 0.092 63.263 63.200 -0.049 0.000 0.958 45 S HN 0.508 nan 8.310 nan 0.000 0.491 46 F N 2.042 121.963 119.950 -0.050 0.000 2.684 46 F HA 0.310 4.836 4.527 -0.001 0.000 0.298 46 F C 0.712 176.477 175.800 -0.057 0.000 1.120 46 F CA -0.781 57.185 58.000 -0.056 0.000 1.332 46 F CB 0.082 39.053 39.000 -0.048 0.000 0.986 46 F HN 0.505 nan 8.300 nan 0.000 0.524 47 D N 0.196 120.631 120.400 0.058 0.000 2.493 47 D HA 0.310 4.949 4.640 -0.001 0.000 0.240 47 D C 1.370 177.661 176.300 -0.016 0.000 1.142 47 D CA 1.807 55.817 54.000 0.016 0.000 0.872 47 D CB 0.703 41.496 40.800 -0.010 0.000 1.173 47 D HN 0.468 nan 8.370 nan 0.000 0.467 48 G N 1.603 110.395 108.800 -0.012 0.000 2.162 48 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.260 48 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.260 48 G C 0.285 175.164 174.900 -0.034 0.000 0.976 48 G CA 0.599 45.681 45.100 -0.031 0.000 0.655 48 G HN 1.201 nan 8.290 nan 0.000 0.533 49 V N -3.736 116.175 119.914 -0.006 0.000 3.160 49 V HA 0.993 5.112 4.120 -0.001 0.000 0.310 49 V C -0.143 175.975 176.094 0.039 0.000 1.181 49 V CA -0.099 62.196 62.300 -0.009 0.000 1.047 49 V CB 2.007 33.810 31.823 -0.034 0.000 1.068 49 V HN 0.823 nan 8.190 nan 0.000 0.441 50 S N 1.712 117.419 115.700 0.011 0.000 2.570 50 S HA 0.822 5.291 4.470 -0.001 0.000 0.286 50 S C -0.977 173.632 174.600 0.014 0.000 1.099 50 S CA -0.605 57.606 58.200 0.019 0.000 0.913 50 S CB 1.784 64.982 63.200 -0.004 0.000 1.085 50 S HN 1.062 nan 8.310 nan 0.000 0.480 51 L N 3.006 124.243 121.223 0.023 0.000 2.362 51 L HA 0.758 5.098 4.340 -0.001 0.000 0.275 51 L C -0.693 176.202 176.870 0.042 0.000 0.998 51 L CA -0.513 54.352 54.840 0.042 0.000 0.820 51 L CB 1.115 43.217 42.059 0.070 0.000 1.270 51 L HN 0.911 nan 8.230 nan 0.000 0.415 52 R N 2.509 123.073 120.500 0.106 0.000 2.836 52 R HA 0.520 4.859 4.340 -0.001 0.000 0.269 52 R C -1.423 174.965 176.300 0.148 0.000 1.010 52 R CA -0.957 55.208 56.100 0.109 0.000 0.930 52 R CB 1.703 32.076 30.300 0.121 0.000 1.218 52 R HN 0.543 nan 8.270 nan 0.000 0.473 53 E N 2.242 122.496 120.200 0.090 0.000 2.197 53 E HA 0.312 4.662 4.350 -0.001 0.000 0.281 53 E C -0.884 175.742 176.600 0.044 0.000 0.995 53 E CA -0.666 55.777 56.400 0.072 0.000 0.808 53 E CB 1.044 30.762 29.700 0.030 0.000 1.093 53 E HN 0.429 nan 8.360 nan 0.000 0.394 54 L N 2.334 123.571 121.223 0.023 0.000 2.334 54 L HA 0.472 4.812 4.340 -0.001 0.000 0.270 54 L C -0.226 176.541 176.870 -0.172 0.000 1.018 54 L CA -0.943 53.851 54.840 -0.077 0.000 0.811 54 L CB 1.989 43.993 42.059 -0.091 0.000 1.271 54 L HN 0.443 nan 8.230 nan 0.000 0.443 55 S N 1.111 116.622 115.700 -0.314 0.000 2.733 55 S HA 0.590 5.059 4.470 -0.001 0.000 0.307 55 S C -0.260 173.941 174.600 -0.664 0.000 1.127 55 S CA -0.576 57.414 58.200 -0.349 0.000 1.097 55 S CB 1.527 64.600 63.200 -0.211 0.000 1.003 55 S HN 0.646 nan 8.310 nan 0.000 0.477 56 A N 4.871 127.293 122.820 -0.664 0.000 2.289 56 A HA 0.686 5.005 4.320 -0.001 0.000 0.298 56 A C -2.710 174.690 177.584 -0.307 0.000 1.208 56 A CA -1.806 49.796 52.037 -0.725 0.000 0.845 56 A CB -0.108 18.632 19.000 -0.434 0.000 1.125 56 A HN 0.414 nan 8.150 nan 0.000 0.517 57 P HA 0.165 nan 4.420 nan 0.000 0.264 57 P C 0.681 177.952 177.300 -0.047 0.000 1.193 57 P CA 0.515 63.566 63.100 -0.080 0.000 0.763 57 P CB 0.709 32.397 31.700 -0.019 0.000 0.810 58 G N 3.232 112.012 108.800 -0.034 0.000 2.634 58 G HA2 0.284 4.243 3.960 -0.001 0.000 0.255 58 G HA3 0.284 4.243 3.960 -0.001 0.000 0.255 58 G C -0.227 174.673 174.900 0.001 0.000 1.205 58 G CA -0.677 44.415 45.100 -0.012 0.000 0.884 58 G HN 0.405 nan 8.290 nan 0.000 0.549 59 L N 0.698 121.927 121.223 0.011 0.000 2.464 59 L HA 0.193 4.532 4.340 -0.001 0.000 0.264 59 L C 0.837 177.711 176.870 0.007 0.000 1.199 59 L CA -0.328 54.523 54.840 0.018 0.000 0.818 59 L CB 0.239 42.317 42.059 0.032 0.000 1.102 59 L HN 0.642 nan 8.230 nan 0.000 0.473 60 D N 1.280 121.685 120.400 0.009 0.000 3.321 60 D HA -0.226 4.413 4.640 -0.001 0.000 0.178 60 D C 0.902 177.203 176.300 0.001 0.000 1.208 60 D CA 1.801 55.802 54.000 0.003 0.000 1.074 60 D CB -0.690 40.106 40.800 -0.006 0.000 0.560 60 D HN 0.909 nan 8.370 nan 0.000 0.618 61 G N 0.351 109.150 108.800 -0.002 0.000 3.448 61 G HA2 0.223 4.182 3.960 -0.001 0.000 0.261 61 G HA3 0.223 4.182 3.960 -0.001 0.000 0.261 61 G C -0.268 174.630 174.900 -0.004 0.000 1.173 61 G CA -0.032 45.067 45.100 -0.002 0.000 0.835 61 G HN 0.211 nan 8.290 nan 0.000 0.534 62 D N 1.431 121.828 120.400 -0.004 0.000 2.368 62 D HA 0.272 4.911 4.640 -0.001 0.000 0.240 62 D C -1.840 174.456 176.300 -0.007 0.000 1.169 62 D CA -1.056 52.941 54.000 -0.004 0.000 0.906 62 D CB 0.994 41.793 40.800 -0.003 0.000 1.187 62 D HN 0.052 nan 8.370 nan 0.000 0.435 63 P HA 0.067 nan 4.420 nan 0.000 0.271 63 P C -0.485 176.802 177.300 -0.021 0.000 1.233 63 P CA -0.212 62.881 63.100 -0.012 0.000 0.789 63 P CB 0.389 32.085 31.700 -0.007 0.000 0.951 64 E N -0.578 119.601 120.200 -0.036 0.000 2.437 64 E HA 0.170 4.519 4.350 -0.001 0.000 0.263 64 E C -0.539 176.029 176.600 -0.052 0.000 1.030 64 E CA -0.012 56.350 56.400 -0.063 0.000 0.934 64 E CB 0.075 29.727 29.700 -0.081 0.000 0.943 64 E HN 0.062 nan 8.360 nan 0.000 0.444 65 V N 4.145 124.016 119.914 -0.072 0.000 2.347 65 V HA 0.141 4.260 4.120 -0.001 0.000 0.280 65 V C 0.050 176.105 176.094 -0.066 0.000 1.021 65 V CA -0.904 61.373 62.300 -0.038 0.000 0.847 65 V CB 0.922 32.739 31.823 -0.010 0.000 0.990 65 V HN 0.506 nan 8.190 nan 0.000 0.444 66 K N 5.040 125.423 120.400 -0.028 0.000 2.237 66 K HA 0.595 4.915 4.320 -0.001 0.000 0.270 66 K C -0.568 176.044 176.600 0.020 0.000 1.015 66 K CA -0.187 56.083 56.287 -0.027 0.000 0.949 66 K CB 1.745 34.241 32.500 -0.007 0.000 0.976 66 K HN 0.510 nan 8.250 nan 0.000 0.472 67 I N 2.431 123.018 120.570 0.028 0.000 2.466 67 I HA 0.276 4.446 4.170 -0.001 0.000 0.289 67 I C 0.045 176.253 176.117 0.152 0.000 1.026 67 I CA -0.784 60.580 61.300 0.106 0.000 1.078 67 I CB 1.850 39.910 38.000 0.099 0.000 1.249 67 I HN 0.220 nan 8.210 nan 0.000 0.429 68 R N 5.263 125.876 120.500 0.188 0.000 2.220 68 R HA 0.282 4.621 4.340 -0.001 0.000 0.340 68 R C -1.067 175.398 176.300 0.275 0.000 1.076 68 R CA -0.313 55.905 56.100 0.197 0.000 0.920 68 R CB 0.567 30.968 30.300 0.169 0.000 1.062 68 R HN 0.359 nan 8.270 nan 0.000 0.469 69 F N 4.388 124.392 119.950 0.090 0.000 2.332 69 F HA 0.259 4.785 4.527 -0.001 0.000 0.368 69 F C -0.550 175.297 175.800 0.078 0.000 1.110 69 F CA -1.077 56.978 58.000 0.091 0.000 1.087 69 F CB 0.951 40.005 39.000 0.091 0.000 1.235 69 F HN 0.073 nan 8.300 nan 0.000 0.470 70 V N 5.284 125.037 119.914 -0.268 0.000 2.370 70 V HA 0.483 4.603 4.120 -0.001 0.000 0.279 70 V C -0.021 175.807 176.094 -0.444 0.000 1.029 70 V CA -0.421 61.732 62.300 -0.244 0.000 0.870 70 V CB 1.244 32.999 31.823 -0.113 0.000 0.984 70 V HN 0.828 nan 8.190 nan 0.000 0.451 71 T N 3.829 118.181 114.554 -0.337 0.000 2.893 71 T HA 0.659 5.008 4.350 -0.001 0.000 0.291 71 T C -3.038 171.573 174.700 -0.148 0.000 1.028 71 T CA -2.406 59.517 62.100 -0.295 0.000 0.995 71 T CB 2.485 71.173 68.868 -0.300 0.000 1.051 71 T HN 0.423 nan 8.240 nan 0.000 0.470 72 P HA 0.358 nan 4.420 nan 0.000 0.279 72 P C -0.780 176.486 177.300 -0.056 0.000 1.239 72 P CA -0.295 62.755 63.100 -0.084 0.000 0.789 72 P CB 0.607 32.260 31.700 -0.078 0.000 0.933 73 D N 1.663 122.036 120.400 -0.045 0.000 2.360 73 D HA 0.060 4.700 4.640 -0.001 0.000 0.242 73 D C 0.579 176.864 176.300 -0.025 0.000 1.184 73 D CA 0.298 54.280 54.000 -0.029 0.000 0.930 73 D CB -0.365 40.421 40.800 -0.022 0.000 1.161 73 D HN 0.351 nan 8.370 nan 0.000 0.447 74 N N -1.141 117.549 118.700 -0.016 0.000 2.780 74 N HA -0.151 4.588 4.740 -0.001 0.000 0.248 74 N C -1.218 174.285 175.510 -0.011 0.000 1.102 74 N CA 0.869 53.911 53.050 -0.014 0.000 0.697 74 N CB -0.918 37.558 38.487 -0.018 0.000 1.028 74 N HN 0.204 nan 8.380 nan 0.000 0.554 75 T N -0.954 113.596 114.554 -0.007 0.000 2.840 75 T HA 0.639 4.988 4.350 -0.001 0.000 0.287 75 T C 1.287 175.992 174.700 0.008 0.000 0.991 75 T CA -0.094 62.005 62.100 -0.002 0.000 0.964 75 T CB 1.638 70.503 68.868 -0.005 0.000 0.954 75 T HN 0.265 nan 8.240 nan 0.000 0.438 76 A N 2.979 125.804 122.820 0.008 0.000 1.903 76 A HA 0.326 4.645 4.320 -0.001 0.000 0.219 76 A C 1.502 179.096 177.584 0.016 0.000 1.191 76 A CA 1.435 53.478 52.037 0.011 0.000 0.638 76 A CB -1.416 17.589 19.000 0.009 0.000 0.823 76 A HN 1.825 nan 8.150 nan 0.000 0.451 77 G N -1.428 107.386 108.800 0.022 0.000 2.870 77 G HA2 -0.001 3.958 3.960 -0.001 0.000 0.685 77 G HA3 -0.001 3.958 3.960 -0.001 0.000 0.685 77 G C -2.366 172.546 174.900 0.020 0.000 1.556 77 G CA -0.239 44.877 45.100 0.027 0.000 1.042 77 G HN 0.539 nan 8.290 nan 0.000 0.592 78 P HA 0.481 nan 4.420 nan 0.000 0.271 78 P C 0.297 177.608 177.300 0.017 0.000 1.216 78 P CA -0.234 62.878 63.100 0.020 0.000 0.776 78 P CB 1.237 32.941 31.700 0.007 0.000 0.881 79 V N 0.493 120.422 119.914 0.025 0.000 3.019 79 V HA 0.707 4.826 4.120 -0.001 0.000 0.317 79 V C -2.694 173.364 176.094 -0.060 0.000 1.094 79 V CA -3.251 59.056 62.300 0.013 0.000 1.000 79 V CB 1.441 33.308 31.823 0.074 0.000 1.060 79 V HN 0.278 nan 8.190 nan 0.000 0.443 80 P HA 0.294 nan 4.420 nan 0.000 0.271 80 P C -0.835 176.329 177.300 -0.228 0.000 1.233 80 P CA 0.055 62.926 63.100 -0.381 0.000 0.789 80 P CB 0.782 31.871 31.700 -1.019 0.000 0.951 81 V N 2.685 122.532 119.914 -0.112 0.000 2.789 81 V HA 0.535 4.654 4.120 -0.001 0.000 0.311 81 V C -1.373 174.772 176.094 0.085 0.000 1.073 81 V CA -1.069 61.260 62.300 0.049 0.000 0.921 81 V CB 1.864 33.782 31.823 0.159 0.000 1.009 81 V HN 0.297 nan 8.190 nan 0.000 0.426 82 L N 6.751 128.065 121.223 0.152 0.000 2.280 82 L HA 0.622 4.961 4.340 -0.001 0.000 0.287 82 L C -0.773 176.267 176.870 0.283 0.000 1.023 82 L CA -0.139 54.835 54.840 0.223 0.000 0.819 82 L CB 1.303 43.486 42.059 0.208 0.000 1.212 82 L HN 0.746 nan 8.230 nan 0.000 0.420 83 L N 6.629 128.027 121.223 0.292 0.000 2.313 83 L HA 0.347 4.686 4.340 -0.001 0.000 0.282 83 L C -1.050 176.049 176.870 0.381 0.000 1.092 83 L CA 0.339 55.359 54.840 0.299 0.000 0.831 83 L CB 0.391 42.584 42.059 0.223 0.000 1.159 83 L HN 0.741 nan 8.230 nan 0.000 0.442 84 W N 7.951 129.370 121.300 0.199 0.000 2.666 84 W HA 0.583 5.243 4.660 -0.001 0.000 0.334 84 W C -1.620 175.033 176.519 0.223 0.000 1.051 84 W CA -0.977 56.501 57.345 0.223 0.000 1.224 84 W CB 1.641 31.244 29.460 0.238 0.000 1.405 84 W HN 0.325 nan 8.180 nan 0.000 0.513 85 I N 5.463 125.577 120.570 -0.760 0.000 2.468 85 I HA 0.091 4.260 4.170 -0.001 0.000 0.285 85 I C 0.126 175.893 176.117 -0.584 0.000 1.039 85 I CA -0.884 60.159 61.300 -0.428 0.000 1.074 85 I CB 1.712 39.507 38.000 -0.342 0.000 1.228 85 I HN 0.462 nan 8.210 nan 0.000 0.436 86 H N 4.028 123.074 119.070 -0.040 0.000 2.671 86 H HA 0.672 5.227 4.556 -0.001 0.000 0.372 86 H C 0.426 175.784 175.328 0.050 0.000 1.227 86 H CA -0.311 55.786 56.048 0.083 0.000 1.426 86 H CB 0.608 30.492 29.762 0.204 0.000 1.480 86 H HN 0.588 nan 8.280 nan 0.000 0.611 87 G N -1.596 107.319 108.800 0.190 0.000 2.606 87 G HA2 0.468 4.427 3.960 -0.001 0.000 0.262 87 G HA3 0.468 4.427 3.960 -0.001 0.000 0.262 87 G C 0.376 175.308 174.900 0.054 0.000 1.394 87 G CA -1.032 44.053 45.100 -0.025 0.000 1.044 87 G HN 1.519 nan 8.290 nan 0.000 0.553 88 G N -2.843 105.829 108.800 -0.213 0.000 2.165 88 G HA2 0.390 4.349 3.960 -0.001 0.000 0.144 88 G HA3 0.390 4.349 3.960 -0.001 0.000 0.144 88 G C 1.079 175.910 174.900 -0.114 0.000 1.049 88 G CA 0.708 45.677 45.100 -0.218 0.000 0.741 88 G HN 2.350 nan 8.290 nan 0.000 0.493 89 G N -0.638 107.884 108.800 -0.462 0.000 2.203 89 G HA2 -0.101 3.858 3.960 -0.001 0.000 0.263 89 G HA3 -0.101 3.858 3.960 -0.001 0.000 0.263 89 G C 0.972 175.794 174.900 -0.130 0.000 1.012 89 G CA 1.021 45.877 45.100 -0.407 0.000 0.749 89 G HN 1.811 nan 8.290 nan 0.000 0.512 90 F N -3.957 115.929 119.950 -0.107 0.000 2.590 90 F HA -0.318 4.208 4.527 -0.001 0.000 0.471 90 F C 2.005 177.852 175.800 0.079 0.000 0.551 90 F CA 1.775 59.690 58.000 -0.141 0.000 1.228 90 F CB -1.795 36.929 39.000 -0.460 0.000 1.862 90 F HN 1.144 nan 8.300 nan 0.000 0.271 91 A N -0.312 122.661 122.820 0.255 0.000 2.390 91 A HA 0.653 4.973 4.320 -0.001 0.000 0.225 91 A C 0.621 178.174 177.584 -0.051 0.000 1.232 91 A CA 0.576 52.658 52.037 0.074 0.000 0.964 91 A CB 0.483 19.455 19.000 -0.046 0.000 1.064 91 A HN 0.522 nan 8.150 nan 0.000 0.525 92 I N -5.079 115.496 120.570 0.008 0.000 3.145 92 I HA 0.847 5.017 4.170 -0.001 0.000 0.313 92 I C 0.162 176.304 176.117 0.042 0.000 1.122 92 I CA -0.558 60.721 61.300 -0.034 0.000 0.987 92 I CB 1.870 39.801 38.000 -0.116 0.000 1.236 92 I HN 0.729 nan 8.210 nan 0.000 0.453 93 G N 1.770 110.618 108.800 0.080 0.000 2.663 93 G HA2 0.263 4.223 3.960 -0.001 0.000 0.686 93 G HA3 0.263 4.223 3.960 -0.001 0.000 0.686 93 G C -0.613 174.109 174.900 -0.296 0.000 1.246 93 G CA -0.340 44.798 45.100 0.064 0.000 0.795 93 G HN 1.484 nan 8.290 nan 0.000 0.627 94 T N -1.889 112.321 114.554 -0.573 0.000 2.906 94 T HA 0.873 5.223 4.350 -0.001 0.000 0.295 94 T C 1.471 175.786 174.700 -0.641 0.000 1.075 94 T CA 0.388 62.175 62.100 -0.522 0.000 1.005 94 T CB 1.750 70.505 68.868 -0.189 0.000 1.136 94 T HN 2.284 nan 8.240 nan 0.000 0.498 95 A N 0.569 123.254 122.820 -0.225 0.000 1.940 95 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 95 A C 2.083 179.704 177.584 0.062 0.000 1.176 95 A CA 2.007 54.088 52.037 0.075 0.000 0.631 95 A CB -1.077 18.026 19.000 0.171 0.000 0.814 95 A HN 1.012 nan 8.150 nan 0.000 0.446 96 E N 0.528 120.734 120.200 0.010 0.000 2.265 96 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 96 E C 2.014 178.636 176.600 0.037 0.000 0.996 96 E CA 1.257 57.685 56.400 0.048 0.000 0.832 96 E CB -0.129 29.587 29.700 0.027 0.000 0.756 96 E HN 0.769 nan 8.360 nan 0.000 0.491 97 S N -0.542 115.148 115.700 -0.017 0.000 2.442 97 S HA -0.066 4.403 4.470 -0.001 0.000 0.236 97 S C 1.811 176.455 174.600 0.072 0.000 1.007 97 S CA 1.202 59.393 58.200 -0.015 0.000 0.965 97 S CB 0.044 63.211 63.200 -0.055 0.000 0.773 97 S HN 0.055 nan 8.310 nan 0.000 0.504 98 S N 1.273 117.071 115.700 0.163 0.000 2.577 98 S HA 0.169 4.638 4.470 -0.001 0.000 0.219 98 S C 0.742 175.412 174.600 0.116 0.000 0.962 98 S CA -0.113 58.230 58.200 0.237 0.000 0.921 98 S CB -0.107 63.423 63.200 0.549 0.000 0.789 98 S HN 0.444 nan 8.310 nan 0.000 0.497 99 D N 2.691 123.138 120.400 0.079 0.000 2.158 99 D HA -0.078 4.561 4.640 -0.001 0.000 0.197 99 D C -0.836 175.391 176.300 -0.122 0.000 0.995 99 D CA 1.204 55.212 54.000 0.014 0.000 0.846 99 D CB -1.403 39.454 40.800 0.094 0.000 0.941 99 D HN 0.311 nan 8.370 nan 0.000 0.456 100 P HA -0.141 nan 4.420 nan 0.000 0.215 100 P C 1.481 178.695 177.300 -0.144 0.000 1.157 100 P CA 0.802 63.809 63.100 -0.155 0.000 0.868 100 P CB -0.113 31.535 31.700 -0.087 0.000 0.788 101 F N -0.093 119.697 119.950 -0.268 0.000 2.146 101 F HA -0.183 4.344 4.527 -0.001 0.000 0.298 101 F C 1.988 177.545 175.800 -0.406 0.000 1.096 101 F CA 1.157 58.935 58.000 -0.371 0.000 1.275 101 F CB -1.013 37.684 39.000 -0.505 0.000 1.008 101 F HN -0.070 nan 8.300 nan 0.000 0.480 102 C N -0.590 118.444 119.300 -0.444 0.000 2.440 102 C HA -0.108 4.351 4.460 -0.001 0.000 0.278 102 C C 2.891 177.641 174.990 -0.400 0.000 1.295 102 C CA 0.988 59.726 59.018 -0.467 0.000 1.738 102 C CB -1.196 26.431 27.740 -0.189 0.000 1.987 102 C HN 0.374 nan 8.230 nan 0.000 0.492 103 V N 0.803 120.509 119.914 -0.346 0.000 2.343 103 V HA -0.247 3.872 4.120 -0.001 0.000 0.247 103 V C 2.493 178.377 176.094 -0.349 0.000 1.051 103 V CA 2.278 64.370 62.300 -0.345 0.000 1.036 103 V CB -0.727 30.808 31.823 -0.479 0.000 0.654 103 V HN 0.621 nan 8.190 nan 0.000 0.451 104 E N -0.039 119.932 120.200 -0.382 0.000 2.058 104 E HA -0.219 4.131 4.350 -0.001 0.000 0.194 104 E C 2.208 178.555 176.600 -0.422 0.000 0.997 104 E CA 1.886 58.072 56.400 -0.357 0.000 0.801 104 E CB -0.058 29.462 29.700 -0.299 0.000 0.746 104 E HN 0.419 nan 8.360 nan 0.000 0.450 105 V N 1.032 120.582 119.914 -0.605 0.000 2.295 105 V HA -0.268 3.851 4.120 -0.001 0.000 0.246 105 V C 2.416 178.271 176.094 -0.398 0.000 1.049 105 V CA 1.852 63.809 62.300 -0.571 0.000 1.024 105 V CB -0.739 30.647 31.823 -0.729 0.000 0.648 105 V HN 0.453 nan 8.190 nan 0.000 0.447 106 A N -0.114 122.510 122.820 -0.327 0.000 1.898 106 A HA -0.238 4.082 4.320 -0.001 0.000 0.216 106 A C 2.429 179.880 177.584 -0.223 0.000 1.181 106 A CA 2.018 53.918 52.037 -0.229 0.000 0.620 106 A CB -0.540 18.342 19.000 -0.198 0.000 0.819 106 A HN 0.475 nan 8.150 nan 0.000 0.442 107 R N -0.693 119.669 120.500 -0.230 0.000 2.062 107 R HA -0.105 4.234 4.340 -0.001 0.000 0.229 107 R C 1.716 177.891 176.300 -0.209 0.000 1.128 107 R CA 1.549 57.534 56.100 -0.192 0.000 0.960 107 R CB -0.126 30.066 30.300 -0.180 0.000 0.855 107 R HN 0.433 nan 8.270 nan 0.000 0.432 108 E N 0.310 120.358 120.200 -0.255 0.000 2.170 108 E HA -0.043 4.307 4.350 -0.001 0.000 0.191 108 E C 1.923 178.332 176.600 -0.319 0.000 0.981 108 E CA 0.727 56.978 56.400 -0.248 0.000 0.830 108 E CB 0.227 29.784 29.700 -0.238 0.000 0.775 108 E HN 0.407 nan 8.360 nan 0.000 0.470 109 L N -0.829 120.119 121.223 -0.458 0.000 2.556 109 L HA 0.258 4.598 4.340 -0.001 0.000 0.226 109 L C 1.162 177.614 176.870 -0.697 0.000 1.089 109 L CA 0.418 54.810 54.840 -0.746 0.000 0.864 109 L CB 0.127 41.416 42.059 -1.283 0.000 1.067 109 L HN 0.170 nan 8.230 nan 0.000 0.477 110 G N 0.694 109.271 108.800 -0.372 0.000 2.176 110 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.252 110 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.252 110 G C -0.169 174.789 174.900 0.097 0.000 1.024 110 G CA -0.214 44.803 45.100 -0.139 0.000 0.755 110 G HN 0.101 nan 8.290 nan 0.000 0.507 111 F N 0.554 120.433 119.950 -0.119 0.000 2.458 111 F HA 0.819 5.345 4.527 -0.001 0.000 0.330 111 F C 0.740 176.460 175.800 -0.133 0.000 1.082 111 F CA -1.665 56.273 58.000 -0.103 0.000 0.995 111 F CB 1.444 40.383 39.000 -0.102 0.000 1.170 111 F HN 0.315 nan 8.300 nan 0.000 0.478 112 A N 1.858 124.727 122.820 0.080 0.000 2.386 112 A HA 0.613 4.932 4.320 -0.001 0.000 0.248 112 A C -0.740 176.841 177.584 -0.005 0.000 1.082 112 A CA -0.322 51.665 52.037 -0.083 0.000 0.789 112 A CB 0.359 19.328 19.000 -0.051 0.000 1.025 112 A HN 0.531 nan 8.150 nan 0.000 0.490 113 V N 0.923 120.782 119.914 -0.091 0.000 2.525 113 V HA 0.586 4.705 4.120 -0.001 0.000 0.299 113 V C 0.187 176.407 176.094 0.211 0.000 1.034 113 V CA -0.180 62.155 62.300 0.058 0.000 0.863 113 V CB 1.516 33.313 31.823 -0.043 0.000 0.999 113 V HN 1.206 nan 8.190 nan 0.000 0.423 114 A N 3.606 126.640 122.820 0.358 0.000 2.412 114 A HA 0.569 4.888 4.320 -0.001 0.000 0.334 114 A C -0.052 177.748 177.584 0.359 0.000 1.419 114 A CA -0.339 51.962 52.037 0.439 0.000 0.930 114 A CB -0.141 19.095 19.000 0.393 0.000 1.149 114 A HN 0.723 nan 8.150 nan 0.000 0.515 115 N N 2.531 121.437 118.700 0.343 0.000 2.420 115 N HA 0.321 5.060 4.740 -0.001 0.000 0.249 115 N C -0.777 174.918 175.510 0.309 0.000 1.033 115 N CA -0.064 53.212 53.050 0.377 0.000 0.944 115 N CB 0.990 39.684 38.487 0.346 0.000 1.113 115 N HN 0.224 nan 8.380 nan 0.000 0.502 116 V N 2.949 123.044 119.914 0.303 0.000 2.432 116 V HA 0.152 4.271 4.120 -0.001 0.000 0.275 116 V C 0.602 176.849 176.094 0.255 0.000 1.043 116 V CA -0.727 61.721 62.300 0.248 0.000 0.925 116 V CB 0.975 32.937 31.823 0.232 0.000 0.985 116 V HN 0.615 nan 8.190 nan 0.000 0.466 117 E N 4.929 125.230 120.200 0.168 0.000 1.856 117 E HA 0.223 4.572 4.350 -0.001 0.000 0.263 117 E C -0.457 176.193 176.600 0.084 0.000 1.137 117 E CA -0.360 56.095 56.400 0.091 0.000 1.007 117 E CB -0.182 29.550 29.700 0.052 0.000 1.117 117 E HN 0.599 nan 8.360 nan 0.000 0.438 118 Y N 0.603 120.962 120.300 0.097 0.000 2.314 118 Y HA 0.441 4.990 4.550 -0.001 0.000 0.334 118 Y C 0.340 176.287 175.900 0.078 0.000 1.266 118 Y CA -1.231 56.904 58.100 0.058 0.000 1.391 118 Y CB 0.636 39.105 38.460 0.014 0.000 1.306 118 Y HN 0.078 nan 8.280 nan 0.000 0.558 119 R N 2.211 122.847 120.500 0.226 0.000 2.543 119 R HA 0.358 4.697 4.340 -0.001 0.000 0.277 119 R C -0.735 175.700 176.300 0.225 0.000 1.074 119 R CA -0.449 55.738 56.100 0.145 0.000 1.076 119 R CB 0.439 30.811 30.300 0.121 0.000 0.993 119 R HN 0.684 nan 8.270 nan 0.000 0.459 120 L N 2.108 123.407 121.223 0.126 0.000 2.357 120 L HA 0.410 4.749 4.340 -0.001 0.000 0.273 120 L C 0.589 177.551 176.870 0.153 0.000 1.080 120 L CA -0.657 54.278 54.840 0.157 0.000 0.803 120 L CB 1.408 43.504 42.059 0.061 0.000 1.174 120 L HN 0.686 nan 8.230 nan 0.000 0.443 121 A N 3.958 126.904 122.820 0.210 0.000 2.287 121 A HA 0.473 4.792 4.320 -0.001 0.000 0.273 121 A C -1.700 175.910 177.584 0.043 0.000 1.091 121 A CA -1.187 50.962 52.037 0.186 0.000 0.817 121 A CB 0.043 19.246 19.000 0.339 0.000 1.069 121 A HN 0.639 nan 8.150 nan 0.000 0.492 122 P HA 0.003 nan 4.420 nan 0.000 0.241 122 P C 0.388 177.725 177.300 0.061 0.000 1.191 122 P CA 0.691 63.838 63.100 0.078 0.000 0.771 122 P CB 0.299 32.036 31.700 0.061 0.000 0.929 123 E N 0.076 120.291 120.200 0.025 0.000 2.118 123 E HA -0.065 4.285 4.350 -0.001 0.000 0.195 123 E C 0.277 176.906 176.600 0.048 0.000 0.992 123 E CA 1.218 57.634 56.400 0.027 0.000 0.804 123 E CB -0.664 29.041 29.700 0.009 0.000 0.741 123 E HN 0.192 nan 8.360 nan 0.000 0.458 124 T N 1.227 115.826 114.554 0.075 0.000 2.864 124 T HA 0.313 4.662 4.350 -0.001 0.000 0.310 124 T C -0.293 174.477 174.700 0.115 0.000 1.040 124 T CA -0.652 61.496 62.100 0.080 0.000 0.977 124 T CB 1.218 70.138 68.868 0.086 0.000 0.976 124 T HN 0.127 nan 8.240 nan 0.000 0.459 125 T N 0.934 115.536 114.554 0.080 0.000 2.847 125 T HA 0.613 4.962 4.350 -0.001 0.000 0.279 125 T C 0.269 174.966 174.700 -0.005 0.000 0.984 125 T CA -0.884 61.262 62.100 0.077 0.000 0.988 125 T CB 0.452 69.355 68.868 0.058 0.000 1.040 125 T HN 0.376 nan 8.240 nan 0.000 0.528 126 F N 3.443 123.209 119.950 -0.306 0.000 2.635 126 F HA 0.207 4.733 4.527 -0.001 0.000 0.379 126 F C -1.075 174.617 175.800 -0.180 0.000 1.094 126 F CA -1.566 56.197 58.000 -0.395 0.000 1.300 126 F CB 0.580 39.056 39.000 -0.873 0.000 1.035 126 F HN 0.432 nan 8.300 nan 0.000 0.581 127 P HA 0.114 nan 4.420 nan 0.000 0.255 127 P C 1.254 178.184 177.300 -0.618 0.000 1.248 127 P CA 0.822 62.954 63.100 -1.613 0.000 0.807 127 P CB 0.048 31.072 31.700 -1.127 0.000 1.150 128 G N 2.473 111.102 108.800 -0.284 0.000 2.491 128 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.218 128 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.218 128 G C -0.760 174.141 174.900 0.002 0.000 1.180 128 G CA 0.941 45.985 45.100 -0.092 0.000 0.774 128 G HN 0.275 nan 8.290 nan 0.000 0.562 129 P HA -0.039 nan 4.420 nan 0.000 0.216 129 P C 2.117 179.449 177.300 0.053 0.000 1.153 129 P CA 0.652 63.844 63.100 0.154 0.000 0.848 129 P CB -0.094 31.758 31.700 0.253 0.000 0.787 130 V N -0.230 119.735 119.914 0.086 0.000 2.548 130 V HA -0.178 3.941 4.120 -0.001 0.000 0.249 130 V C 1.837 177.951 176.094 0.034 0.000 1.055 130 V CA 1.864 64.208 62.300 0.073 0.000 1.065 130 V CB -1.096 30.854 31.823 0.211 0.000 0.681 130 V HN 0.043 nan 8.190 nan 0.000 0.462 131 N N 0.709 119.395 118.700 -0.024 0.000 2.166 131 N HA -0.145 4.594 4.740 -0.001 0.000 0.186 131 N C 1.467 177.019 175.510 0.069 0.000 1.019 131 N CA 1.759 54.818 53.050 0.014 0.000 0.856 131 N CB -0.467 37.990 38.487 -0.049 0.000 0.993 131 N HN 0.526 nan 8.380 nan 0.000 0.426 132 D N 0.046 120.484 120.400 0.064 0.000 2.144 132 D HA -0.054 4.585 4.640 -0.001 0.000 0.199 132 D C 1.934 178.292 176.300 0.096 0.000 0.984 132 D CA 0.597 54.648 54.000 0.085 0.000 0.834 132 D CB -0.430 40.449 40.800 0.132 0.000 0.955 132 D HN 0.245 nan 8.370 nan 0.000 0.465 133 C N 0.148 119.504 119.300 0.093 0.000 2.440 133 C HA -0.127 4.332 4.460 -0.001 0.000 0.278 133 C C 2.501 177.571 174.990 0.133 0.000 1.295 133 C CA -0.078 58.996 59.018 0.093 0.000 1.738 133 C CB -1.077 26.680 27.740 0.028 0.000 1.987 133 C HN 0.344 nan 8.230 nan 0.000 0.492 134 Y N 2.192 122.495 120.300 0.004 0.000 2.263 134 Y HA 0.022 4.572 4.550 -0.001 0.000 0.292 134 Y C 2.427 178.345 175.900 0.029 0.000 1.130 134 Y CA 1.044 59.145 58.100 0.001 0.000 1.179 134 Y CB -0.629 37.802 38.460 -0.047 0.000 0.998 134 Y HN 0.226 nan 8.280 nan 0.000 0.532 135 A N 0.395 123.214 122.820 -0.002 0.000 1.902 135 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 135 A C 2.439 180.011 177.584 -0.019 0.000 1.181 135 A CA 1.909 53.913 52.037 -0.056 0.000 0.623 135 A CB -1.410 17.591 19.000 0.002 0.000 0.818 135 A HN 0.552 nan 8.150 nan 0.000 0.443 136 A N -0.616 122.222 122.820 0.030 0.000 1.898 136 A HA 0.009 4.328 4.320 -0.001 0.000 0.216 136 A C 2.123 179.774 177.584 0.111 0.000 1.181 136 A CA 1.656 53.745 52.037 0.087 0.000 0.620 136 A CB -0.576 18.485 19.000 0.102 0.000 0.819 136 A HN 0.664 nan 8.150 nan 0.000 0.442 137 L N -0.162 121.085 121.223 0.040 0.000 2.017 137 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 137 L C 2.298 179.152 176.870 -0.027 0.000 1.073 137 L CA 1.672 56.526 54.840 0.023 0.000 0.745 137 L CB -0.525 41.547 42.059 0.022 0.000 0.894 137 L HN 0.401 nan 8.230 nan 0.000 0.432 138 L N -1.664 119.447 121.223 -0.186 0.000 2.042 138 L HA -0.286 4.054 4.340 -0.001 0.000 0.210 138 L C 2.539 179.445 176.870 0.060 0.000 1.076 138 L CA 1.900 56.660 54.840 -0.134 0.000 0.749 138 L CB -0.816 41.083 42.059 -0.267 0.000 0.893 138 L HN 0.411 nan 8.230 nan 0.000 0.432 139 Y N 0.429 120.717 120.300 -0.020 0.000 2.133 139 Y HA -0.244 4.306 4.550 -0.001 0.000 0.287 139 Y C 2.488 178.436 175.900 0.080 0.000 1.134 139 Y CA 1.488 59.621 58.100 0.054 0.000 1.133 139 Y CB -0.050 38.386 38.460 -0.040 0.000 0.987 139 Y HN -0.039 nan 8.280 nan 0.000 0.502 140 I N 0.296 120.860 120.570 -0.010 0.000 2.361 140 I HA -0.321 3.848 4.170 -0.001 0.000 0.251 140 I C 2.556 178.618 176.117 -0.092 0.000 1.133 140 I CA 1.932 63.150 61.300 -0.136 0.000 1.413 140 I CB -1.434 36.594 38.000 0.046 0.000 1.073 140 I HN 0.512 nan 8.210 nan 0.000 0.424 141 H N 1.317 120.334 119.070 -0.088 0.000 2.333 141 H HA -0.064 4.491 4.556 -0.001 0.000 0.302 141 H C 2.122 177.383 175.328 -0.113 0.000 1.075 141 H CA 1.640 57.644 56.048 -0.073 0.000 1.348 141 H CB 0.499 30.232 29.762 -0.047 0.000 1.393 141 H HN 0.247 nan 8.280 nan 0.000 0.509 142 A N 0.594 123.294 122.820 -0.200 0.000 1.968 142 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 142 A C 1.513 178.815 177.584 -0.470 0.000 1.169 142 A CA 0.980 52.827 52.037 -0.317 0.000 0.638 142 A CB -0.456 18.431 19.000 -0.189 0.000 0.812 142 A HN 0.583 nan 8.150 nan 0.000 0.446 143 H N -0.948 117.870 119.070 -0.419 0.000 2.507 143 H HA 0.405 4.961 4.556 -0.001 0.000 0.294 143 H C 1.897 177.032 175.328 -0.321 0.000 1.064 143 H CA 0.409 56.212 56.048 -0.409 0.000 1.138 143 H CB 0.125 29.490 29.762 -0.662 0.000 1.515 143 H HN 0.548 nan 8.280 nan 0.000 0.547 144 A N 1.043 123.735 122.820 -0.213 0.000 1.902 144 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 144 A C 2.278 179.809 177.584 -0.088 0.000 1.181 144 A CA 1.502 53.455 52.037 -0.139 0.000 0.623 144 A CB -0.198 18.720 19.000 -0.137 0.000 0.818 144 A HN 0.410 nan 8.150 nan 0.000 0.443 145 E N -0.314 119.823 120.200 -0.105 0.000 2.051 145 E HA -0.256 4.093 4.350 -0.001 0.000 0.192 145 E C 2.131 178.710 176.600 -0.035 0.000 0.991 145 E CA 1.391 57.753 56.400 -0.063 0.000 0.799 145 E CB -0.176 29.479 29.700 -0.075 0.000 0.748 145 E HN 0.838 nan 8.360 nan 0.000 0.449 146 E N 0.487 120.662 120.200 -0.042 0.000 2.153 146 E HA -0.203 4.146 4.350 -0.001 0.000 0.194 146 E C 1.908 178.510 176.600 0.005 0.000 0.988 146 E CA 0.981 57.375 56.400 -0.009 0.000 0.811 146 E CB -0.159 29.549 29.700 0.012 0.000 0.746 146 E HN 0.327 nan 8.360 nan 0.000 0.466 147 L N -0.036 121.177 121.223 -0.018 0.000 2.591 147 L HA 0.216 4.555 4.340 -0.001 0.000 0.228 147 L C 1.307 178.258 176.870 0.135 0.000 1.133 147 L CA 0.390 55.242 54.840 0.019 0.000 0.880 147 L CB 0.114 42.090 42.059 -0.139 0.000 1.033 147 L HN 0.479 nan 8.230 nan 0.000 0.450 148 G N 1.251 110.097 108.800 0.077 0.000 2.160 148 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.244 148 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.244 148 G C 0.018 174.971 174.900 0.089 0.000 1.022 148 G CA -0.136 45.014 45.100 0.082 0.000 0.741 148 G HN 0.290 nan 8.290 nan 0.000 0.508 149 I N 0.410 121.022 120.570 0.070 0.000 2.412 149 I HA 0.299 4.469 4.170 -0.001 0.000 0.296 149 I C -0.219 175.905 176.117 0.012 0.000 0.987 149 I CA -0.884 60.452 61.300 0.061 0.000 1.180 149 I CB 1.581 39.627 38.000 0.077 0.000 1.340 149 I HN 0.040 nan 8.210 nan 0.000 0.455 150 D N 8.626 129.027 120.400 0.001 0.000 2.352 150 D HA 0.149 4.789 4.640 -0.001 0.000 0.245 150 D C -1.577 174.726 176.300 0.006 0.000 1.224 150 D CA -2.266 51.728 54.000 -0.011 0.000 0.879 150 D CB 1.307 42.090 40.800 -0.028 0.000 1.057 150 D HN 0.215 nan 8.370 nan 0.000 0.491 151 P HA -0.105 nan 4.420 nan 0.000 0.226 151 P C 0.956 178.327 177.300 0.120 0.000 1.153 151 P CA 0.544 63.692 63.100 0.080 0.000 0.777 151 P CB 0.130 31.827 31.700 -0.004 0.000 0.794 152 S N -0.965 114.771 115.700 0.060 0.000 2.603 152 S HA 0.087 4.556 4.470 -0.001 0.000 0.220 152 S C 1.144 175.762 174.600 0.031 0.000 0.967 152 S CA -0.212 58.018 58.200 0.051 0.000 0.920 152 S CB -0.515 62.704 63.200 0.032 0.000 0.773 152 S HN 0.071 nan 8.310 nan 0.000 0.529 153 R N 0.821 121.326 120.500 0.010 0.000 2.674 153 R HA 0.451 4.791 4.340 -0.001 0.000 0.270 153 R C -1.352 174.931 176.300 -0.027 0.000 1.492 153 R CA -0.141 55.938 56.100 -0.034 0.000 1.624 153 R CB 0.606 30.835 30.300 -0.117 0.000 1.307 153 R HN 0.387 nan 8.270 nan 0.000 0.683 154 I N 1.298 121.898 120.570 0.049 0.000 2.336 154 I HA 0.401 4.570 4.170 -0.001 0.000 0.292 154 I C 0.376 176.575 176.117 0.137 0.000 0.991 154 I CA -0.589 60.764 61.300 0.087 0.000 1.227 154 I CB 1.744 39.811 38.000 0.113 0.000 1.366 154 I HN 0.246 nan 8.210 nan 0.000 0.466 155 A N 6.468 129.392 122.820 0.173 0.000 2.312 155 A HA 0.807 5.126 4.320 -0.001 0.000 0.328 155 A C -0.599 177.144 177.584 0.265 0.000 1.158 155 A CA -0.490 51.718 52.037 0.285 0.000 0.821 155 A CB 1.249 20.491 19.000 0.404 0.000 1.170 155 A HN 0.462 nan 8.150 nan 0.000 0.490 156 V N 1.173 121.240 119.914 0.256 0.000 2.540 156 V HA 0.796 4.915 4.120 -0.001 0.000 0.302 156 V C 0.566 176.816 176.094 0.260 0.000 1.035 156 V CA 0.282 62.716 62.300 0.224 0.000 0.873 156 V CB 1.498 33.416 31.823 0.158 0.000 0.992 156 V HN 1.369 nan 8.190 nan 0.000 0.428 157 G N 1.970 110.938 108.800 0.280 0.000 2.684 157 G HA2 0.864 4.823 3.960 -0.001 0.000 0.290 157 G HA3 0.864 4.823 3.960 -0.001 0.000 0.290 157 G C -0.671 174.116 174.900 -0.189 0.000 1.425 157 G CA -0.110 45.182 45.100 0.319 0.000 0.822 157 G HN 1.170 nan 8.290 nan 0.000 0.482 158 G N -1.391 107.149 108.800 -0.434 0.000 2.506 158 G HA2 0.555 4.514 3.960 -0.001 0.000 0.292 158 G HA3 0.555 4.514 3.960 -0.001 0.000 0.292 158 G C -1.761 172.810 174.900 -0.548 0.000 1.425 158 G CA -0.505 43.908 45.100 -1.145 0.000 0.788 158 G HN 0.676 nan 8.290 nan 0.000 0.490 159 Q N -0.133 119.406 119.800 -0.436 0.000 2.342 159 Q HA 0.537 4.876 4.340 -0.001 0.000 0.267 159 Q C 0.962 176.828 176.000 -0.222 0.000 1.038 159 Q CA 0.437 56.164 55.803 -0.126 0.000 0.832 159 Q CB 1.695 30.488 28.738 0.091 0.000 1.323 159 Q HN 2.037 nan 8.270 nan 0.000 0.448 160 S N 2.374 117.942 115.700 -0.221 0.000 4.112 160 S HA -0.403 4.066 4.470 -0.001 0.000 0.602 160 S C 1.374 175.693 174.600 -0.469 0.000 1.939 160 S CA 1.112 59.135 58.200 -0.294 0.000 4.230 160 S CB -1.935 61.097 63.200 -0.281 0.000 0.245 160 S HN 1.324 nan 8.310 nan 0.000 0.530 161 A N 1.906 124.292 122.820 -0.723 0.000 1.978 161 A HA 0.228 4.548 4.320 -0.001 0.000 0.220 161 A C 2.671 179.834 177.584 -0.701 0.000 1.170 161 A CA 2.630 54.003 52.037 -1.107 0.000 0.636 161 A CB -1.891 16.142 19.000 -1.611 0.000 0.810 161 A HN 1.949 nan 8.150 nan 0.000 0.448 162 G N -0.754 107.740 108.800 -0.511 0.000 2.432 162 G HA2 0.055 4.015 3.960 -0.001 0.000 0.219 162 G HA3 0.055 4.015 3.960 -0.001 0.000 0.219 162 G C 1.434 176.101 174.900 -0.389 0.000 1.135 162 G CA 1.162 45.985 45.100 -0.461 0.000 0.767 162 G HN 0.692 nan 8.290 nan 0.000 0.550 163 G N 0.673 109.277 108.800 -0.328 0.000 2.422 163 G HA2 0.110 4.069 3.960 -0.001 0.000 0.218 163 G HA3 0.110 4.069 3.960 -0.001 0.000 0.218 163 G C 1.702 176.500 174.900 -0.171 0.000 1.140 163 G CA 1.241 46.208 45.100 -0.221 0.000 0.775 163 G HN 0.524 nan 8.290 nan 0.000 0.545 164 G N 0.971 109.663 108.800 -0.180 0.000 2.402 164 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.216 164 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.216 164 G C 1.787 176.691 174.900 0.006 0.000 1.162 164 G CA 0.620 45.694 45.100 -0.044 0.000 0.777 164 G HN 0.409 nan 8.290 nan 0.000 0.539 165 L N 0.732 121.917 121.223 -0.062 0.000 2.046 165 L HA -0.071 4.268 4.340 -0.001 0.000 0.208 165 L C 3.412 180.248 176.870 -0.057 0.000 1.077 165 L CA 1.012 55.809 54.840 -0.071 0.000 0.747 165 L CB -0.413 41.467 42.059 -0.297 0.000 0.896 165 L HN 0.304 nan 8.230 nan 0.000 0.432 166 A N 0.139 122.897 122.820 -0.103 0.000 1.858 166 A HA -0.198 4.121 4.320 -0.001 0.000 0.216 166 A C 2.548 180.146 177.584 0.023 0.000 1.190 166 A CA 1.865 53.878 52.037 -0.040 0.000 0.617 166 A CB -0.831 18.127 19.000 -0.071 0.000 0.827 166 A HN 0.395 nan 8.150 nan 0.000 0.443 167 A N -0.632 122.194 122.820 0.010 0.000 1.933 167 A HA 0.103 4.423 4.320 -0.001 0.000 0.218 167 A C 2.393 180.040 177.584 0.106 0.000 1.175 167 A CA 2.006 54.076 52.037 0.055 0.000 0.628 167 A CB -1.341 17.628 19.000 -0.051 0.000 0.814 167 A HN 0.752 nan 8.150 nan 0.000 0.444 168 G N -1.349 107.519 108.800 0.113 0.000 2.402 168 G HA2 -0.103 3.857 3.960 -0.001 0.000 0.216 168 G HA3 -0.103 3.857 3.960 -0.001 0.000 0.216 168 G C 1.549 176.548 174.900 0.165 0.000 1.162 168 G CA 1.546 46.772 45.100 0.209 0.000 0.777 168 G HN 0.423 nan 8.290 nan 0.000 0.539 169 T N 0.822 115.432 114.554 0.094 0.000 2.788 169 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 169 T C 2.526 177.271 174.700 0.075 0.000 1.044 169 T CA 1.200 63.340 62.100 0.066 0.000 1.139 169 T CB -0.168 68.763 68.868 0.105 0.000 0.867 169 T HN 0.064 nan 8.240 nan 0.000 0.454 170 V N 1.210 121.184 119.914 0.101 0.000 2.453 170 V HA -0.058 4.061 4.120 -0.001 0.000 0.247 170 V C 2.426 178.583 176.094 0.106 0.000 1.048 170 V CA 1.217 63.580 62.300 0.105 0.000 1.049 170 V CB -0.600 31.287 31.823 0.106 0.000 0.672 170 V HN 0.414 nan 8.190 nan 0.000 0.457 171 L N -0.073 121.242 121.223 0.152 0.000 2.012 171 L HA -0.242 4.097 4.340 -0.001 0.000 0.210 171 L C 2.581 179.560 176.870 0.182 0.000 1.073 171 L CA 2.137 57.104 54.840 0.211 0.000 0.748 171 L CB -0.568 41.679 42.059 0.313 0.000 0.891 171 L HN 0.283 nan 8.230 nan 0.000 0.431 172 K N 0.002 120.392 120.400 -0.017 0.000 2.057 172 K HA -0.187 4.132 4.320 -0.001 0.000 0.207 172 K C 2.111 178.503 176.600 -0.345 0.000 1.049 172 K CA 1.299 57.294 56.287 -0.487 0.000 0.931 172 K CB -0.102 31.807 32.500 -0.984 0.000 0.714 172 K HN 0.282 nan 8.250 nan 0.000 0.440 173 A N 1.561 124.302 122.820 -0.131 0.000 1.902 173 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 173 A C 2.170 179.783 177.584 0.048 0.000 1.181 173 A CA 1.594 53.680 52.037 0.082 0.000 0.623 173 A CB -0.618 18.485 19.000 0.171 0.000 0.818 173 A HN 0.390 nan 8.150 nan 0.000 0.443 174 R N -0.378 120.149 120.500 0.044 0.000 2.073 174 R HA -0.173 4.166 4.340 -0.001 0.000 0.234 174 R C 1.376 177.701 176.300 0.042 0.000 1.134 174 R CA 1.950 58.079 56.100 0.048 0.000 0.952 174 R CB -0.439 29.896 30.300 0.059 0.000 0.850 174 R HN 0.419 nan 8.270 nan 0.000 0.433 175 D N 0.390 120.818 120.400 0.047 0.000 2.144 175 D HA -0.133 4.506 4.640 -0.001 0.000 0.199 175 D C 1.707 178.023 176.300 0.027 0.000 0.984 175 D CA 1.032 55.065 54.000 0.055 0.000 0.834 175 D CB -0.048 40.825 40.800 0.122 0.000 0.955 175 D HN 0.268 nan 8.370 nan 0.000 0.465 176 E N -0.442 119.756 120.200 -0.004 0.000 2.299 176 E HA 0.086 4.435 4.350 -0.001 0.000 0.193 176 E C 1.536 178.165 176.600 0.047 0.000 0.998 176 E CA 0.715 57.127 56.400 0.020 0.000 0.851 176 E CB 0.028 29.746 29.700 0.030 0.000 0.795 176 E HN 0.290 nan 8.360 nan 0.000 0.492 177 G N 0.881 109.708 108.800 0.045 0.000 2.153 177 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.252 177 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.252 177 G C 1.048 175.966 174.900 0.030 0.000 0.994 177 G CA 0.597 45.718 45.100 0.035 0.000 0.698 177 G HN 0.256 nan 8.290 nan 0.000 0.521 178 V N -0.897 119.041 119.914 0.040 0.000 2.521 178 V HA 0.189 4.308 4.120 -0.001 0.000 0.239 178 V C 1.455 177.480 176.094 -0.115 0.000 1.053 178 V CA 1.423 63.729 62.300 0.011 0.000 1.073 178 V CB 0.588 32.443 31.823 0.054 0.000 0.746 178 V HN 0.265 nan 8.190 nan 0.000 0.476 179 V N 3.568 123.391 119.914 -0.152 0.000 2.370 179 V HA 0.391 4.510 4.120 -0.001 0.000 0.283 179 V C -2.364 173.602 176.094 -0.214 0.000 1.023 179 V CA -1.642 60.407 62.300 -0.417 0.000 0.857 179 V CB 1.351 33.002 31.823 -0.287 0.000 0.985 179 V HN 0.361 nan 8.190 nan 0.000 0.443 180 P HA 0.317 nan 4.420 nan 0.000 0.286 180 P C -0.876 176.417 177.300 -0.011 0.000 1.269 180 P CA -0.180 62.886 63.100 -0.056 0.000 0.787 180 P CB 1.696 33.384 31.700 -0.019 0.000 0.920 181 V N 3.482 123.419 119.914 0.038 0.000 2.370 181 V HA 0.329 4.448 4.120 -0.001 0.000 0.283 181 V C 1.429 177.589 176.094 0.109 0.000 1.023 181 V CA -0.143 62.206 62.300 0.082 0.000 0.857 181 V CB 0.992 32.872 31.823 0.094 0.000 0.985 181 V HN 0.702 nan 8.190 nan 0.000 0.443 182 A N 4.645 127.548 122.820 0.138 0.000 2.021 182 A HA 0.316 4.635 4.320 -0.001 0.000 0.216 182 A C 0.308 178.070 177.584 0.296 0.000 1.163 182 A CA 0.992 53.128 52.037 0.166 0.000 0.676 182 A CB 0.103 19.177 19.000 0.123 0.000 0.818 182 A HN 0.676 nan 8.150 nan 0.000 0.453 183 F N -1.528 118.486 119.950 0.108 0.000 2.650 183 F HA 0.478 5.005 4.527 -0.001 0.000 0.310 183 F C -1.021 174.897 175.800 0.197 0.000 1.112 183 F CA -0.821 57.271 58.000 0.153 0.000 0.986 183 F CB 1.401 40.499 39.000 0.164 0.000 1.285 183 F HN 0.086 nan 8.300 nan 0.000 0.440 184 Q N 5.362 124.894 119.800 -0.446 0.000 2.330 184 Q HA 0.484 4.823 4.340 -0.001 0.000 0.269 184 Q C -2.173 173.634 176.000 -0.322 0.000 1.022 184 Q CA -0.716 54.953 55.803 -0.222 0.000 0.796 184 Q CB 1.809 30.487 28.738 -0.100 0.000 1.271 184 Q HN 0.647 nan 8.270 nan 0.000 0.450 185 F N 5.780 125.683 119.950 -0.078 0.000 2.445 185 F HA 0.472 4.999 4.527 -0.001 0.000 0.348 185 F C -1.845 174.063 175.800 0.180 0.000 1.125 185 F CA -0.654 57.424 58.000 0.130 0.000 0.983 185 F CB 0.832 40.065 39.000 0.388 0.000 1.198 185 F HN 0.464 nan 8.300 nan 0.000 0.436 186 L N 6.132 127.211 121.223 -0.241 0.000 2.318 186 L HA 0.430 4.769 4.340 -0.001 0.000 0.277 186 L C -0.598 176.138 176.870 -0.224 0.000 1.008 186 L CA -0.554 54.196 54.840 -0.150 0.000 0.846 186 L CB 1.685 43.692 42.059 -0.086 0.000 1.220 186 L HN 0.589 nan 8.230 nan 0.000 0.423 187 E N 5.607 125.744 120.200 -0.105 0.000 2.156 187 E HA 0.336 4.685 4.350 -0.001 0.000 0.279 187 E C 0.737 177.293 176.600 -0.074 0.000 0.965 187 E CA -0.779 55.588 56.400 -0.054 0.000 0.789 187 E CB 1.057 30.842 29.700 0.141 0.000 1.098 187 E HN 0.607 nan 8.360 nan 0.000 0.397 188 I N 1.187 121.714 120.570 -0.072 0.000 5.115 188 I HA -0.189 3.980 4.170 -0.001 0.000 0.126 188 I C -2.285 173.795 176.117 -0.062 0.000 1.316 188 I CA -0.421 60.843 61.300 -0.060 0.000 2.641 188 I CB -1.467 36.448 38.000 -0.142 0.000 2.272 188 I HN 0.317 nan 8.210 nan 0.000 0.321 189 P HA 0.088 nan 4.420 nan 0.000 0.271 189 P C -0.293 176.954 177.300 -0.089 0.000 1.218 189 P CA 0.208 63.240 63.100 -0.113 0.000 0.780 189 P CB 0.996 32.627 31.700 -0.115 0.000 0.901 190 E N 2.411 122.529 120.200 -0.136 0.000 2.035 190 E HA 0.235 4.585 4.350 -0.001 0.000 0.271 190 E C -0.027 176.684 176.600 0.184 0.000 0.953 190 E CA -0.306 56.075 56.400 -0.031 0.000 0.777 190 E CB -0.062 29.444 29.700 -0.324 0.000 1.104 190 E HN 0.396 nan 8.360 nan 0.000 0.408 191 L N 2.967 124.336 121.223 0.242 0.000 2.803 191 L HA 0.324 4.663 4.340 -0.001 0.000 0.246 191 L C 0.212 177.151 176.870 0.115 0.000 1.100 191 L CA -0.065 54.846 54.840 0.118 0.000 0.919 191 L CB 0.793 42.741 42.059 -0.184 0.000 1.285 191 L HN 0.393 nan 8.230 nan 0.000 0.522 192 D N 0.246 120.706 120.400 0.100 0.000 2.620 192 D HA 0.076 4.715 4.640 -0.001 0.000 0.252 192 D C 0.048 175.982 176.300 -0.609 0.000 1.207 192 D CA -0.226 53.637 54.000 -0.229 0.000 0.884 192 D CB 1.681 42.418 40.800 -0.105 0.000 1.262 192 D HN 0.119 nan 8.370 nan 0.000 0.552 193 D N 2.853 122.521 120.400 -1.220 0.000 2.347 193 D HA -0.087 4.552 4.640 -0.001 0.000 0.215 193 D C 1.087 177.023 176.300 -0.606 0.000 0.976 193 D CA 0.120 53.139 54.000 -1.635 0.000 0.884 193 D CB 0.272 40.190 40.800 -1.470 0.000 0.915 193 D HN 0.322 nan 8.370 nan 0.000 0.526 194 R N 0.267 120.547 120.500 -0.366 0.000 2.236 194 R HA 0.199 4.538 4.340 -0.001 0.000 0.208 194 R C 0.932 177.165 176.300 -0.112 0.000 1.036 194 R CA 0.060 56.054 56.100 -0.177 0.000 1.001 194 R CB -0.164 30.052 30.300 -0.140 0.000 0.896 194 R HN 0.100 nan 8.270 nan 0.000 0.464 195 L N 1.435 122.602 121.223 -0.094 0.000 3.717 195 L HA -0.272 4.067 4.340 -0.001 0.000 0.414 195 L C 0.783 177.636 176.870 -0.028 0.000 1.228 195 L CA 0.864 55.689 54.840 -0.024 0.000 0.918 195 L CB -1.691 40.372 42.059 0.007 0.000 1.865 195 L HN 0.492 nan 8.230 nan 0.000 0.922 196 E N -0.896 119.280 120.200 -0.040 0.000 2.526 196 E HA 0.102 4.451 4.350 -0.001 0.000 0.208 196 E C 0.842 177.420 176.600 -0.037 0.000 0.997 196 E CA 0.421 56.797 56.400 -0.039 0.000 0.961 196 E CB 0.333 30.005 29.700 -0.046 0.000 1.030 196 E HN 0.537 nan 8.360 nan 0.000 0.483 197 T N -1.305 113.230 114.554 -0.032 0.000 2.802 197 T HA 0.102 4.452 4.350 -0.001 0.000 0.305 197 T C 1.528 176.190 174.700 -0.064 0.000 1.053 197 T CA -0.364 61.713 62.100 -0.038 0.000 1.058 197 T CB 1.711 70.566 68.868 -0.021 0.000 0.988 197 T HN -0.093 nan 8.240 nan 0.000 0.539 198 V N 2.054 121.919 119.914 -0.082 0.000 2.332 198 V HA -0.207 3.912 4.120 -0.001 0.000 0.248 198 V C 3.113 179.069 176.094 -0.230 0.000 1.055 198 V CA 2.439 64.663 62.300 -0.128 0.000 1.038 198 V CB -1.395 30.357 31.823 -0.119 0.000 0.651 198 V HN 1.127 nan 8.190 nan 0.000 0.450 199 S N -0.699 114.845 115.700 -0.260 0.000 2.399 199 S HA -0.237 4.233 4.470 -0.001 0.000 0.231 199 S C 1.907 176.353 174.600 -0.257 0.000 1.022 199 S CA 1.648 59.555 58.200 -0.488 0.000 0.983 199 S CB -0.472 62.574 63.200 -0.258 0.000 0.803 199 S HN 0.380 nan 8.310 nan 0.000 0.480 200 M N 3.007 122.557 119.600 -0.083 0.000 2.288 200 M HA 0.045 4.524 4.480 -0.001 0.000 0.266 200 M C 2.226 178.518 176.300 -0.014 0.000 1.072 200 M CA 1.618 56.923 55.300 0.008 0.000 1.132 200 M CB -1.511 31.108 32.600 0.032 0.000 1.386 200 M HN 0.683 nan 8.290 nan 0.000 0.432 201 T N -2.727 111.793 114.554 -0.058 0.000 3.014 201 T HA 0.019 4.368 4.350 -0.001 0.000 0.263 201 T C 1.484 176.162 174.700 -0.038 0.000 1.078 201 T CA 1.233 63.309 62.100 -0.041 0.000 1.135 201 T CB -0.227 68.613 68.868 -0.048 0.000 0.895 201 T HN 0.231 nan 8.240 nan 0.000 0.480 202 N N 0.217 118.854 118.700 -0.104 0.000 2.388 202 N HA 0.223 4.962 4.740 -0.001 0.000 0.176 202 N C -0.642 174.956 175.510 0.146 0.000 1.062 202 N CA 0.081 53.096 53.050 -0.059 0.000 0.895 202 N CB 0.047 38.419 38.487 -0.191 0.000 1.018 202 N HN 0.326 nan 8.380 nan 0.000 0.456 203 F N 1.476 121.466 119.950 0.065 0.000 2.425 203 F HA 0.197 4.724 4.527 -0.001 0.000 0.354 203 F C 1.422 177.265 175.800 0.070 0.000 1.162 203 F CA -1.401 56.652 58.000 0.089 0.000 1.250 203 F CB -0.110 38.950 39.000 0.101 0.000 1.579 203 F HN -0.193 nan 8.300 nan 0.000 0.589 204 V N -1.842 118.207 119.914 0.226 0.000 3.354 204 V HA 0.195 4.314 4.120 -0.001 0.000 0.258 204 V C 0.451 176.539 176.094 -0.009 0.000 1.159 204 V CA 1.000 63.349 62.300 0.082 0.000 1.125 204 V CB 0.289 32.135 31.823 0.037 0.000 0.774 204 V HN 0.437 nan 8.190 nan 0.000 0.464 205 D N 0.905 121.342 120.400 0.061 0.000 2.996 205 D HA 0.183 4.822 4.640 -0.001 0.000 0.343 205 D C 0.454 176.855 176.300 0.169 0.000 1.574 205 D CA 0.395 54.393 54.000 -0.004 0.000 0.773 205 D CB 0.204 40.979 40.800 -0.043 0.000 1.241 205 D HN 0.616 nan 8.370 nan 0.000 0.469 206 T N -1.578 113.069 114.554 0.154 0.000 2.813 206 T HA 0.441 4.790 4.350 -0.001 0.000 0.297 206 T C -2.342 172.308 174.700 -0.084 0.000 1.036 206 T CA -1.402 60.660 62.100 -0.064 0.000 1.044 206 T CB 0.806 69.519 68.868 -0.258 0.000 0.993 206 T HN -0.085 nan 8.240 nan 0.000 0.535 207 P HA 0.202 nan 4.420 nan 0.000 0.267 207 P C 1.106 178.377 177.300 -0.048 0.000 1.205 207 P CA -0.013 62.883 63.100 -0.341 0.000 0.765 207 P CB 0.153 31.229 31.700 -1.041 0.000 0.828 208 L N -1.192 120.060 121.223 0.048 0.000 3.530 208 L HA -0.278 4.061 4.340 -0.001 0.000 0.357 208 L C 0.526 177.456 176.870 0.100 0.000 2.051 208 L CA 1.541 56.475 54.840 0.157 0.000 2.804 208 L CB -1.233 41.006 42.059 0.301 0.000 1.640 208 L HN 0.485 nan 8.230 nan 0.000 0.757 209 W N 1.848 122.998 121.300 -0.250 0.000 2.689 209 W HA 0.570 5.229 4.660 -0.001 0.000 0.340 209 W C -0.239 176.086 176.519 -0.322 0.000 1.060 209 W CA 0.044 57.077 57.345 -0.519 0.000 1.218 209 W CB 1.437 30.458 29.460 -0.731 0.000 1.410 209 W HN 0.306 nan 8.180 nan 0.000 0.528 210 H N 0.686 119.467 119.070 -0.483 0.000 2.950 210 H HA 0.197 4.752 4.556 -0.001 0.000 0.307 210 H C 0.240 175.326 175.328 -0.404 0.000 1.403 210 H CA -0.805 55.082 56.048 -0.267 0.000 1.145 210 H CB 1.456 31.125 29.762 -0.156 0.000 1.844 210 H HN 0.460 nan 8.280 nan 0.000 0.515 211 R N 0.300 120.821 120.500 0.035 0.000 2.091 211 R HA -0.032 4.307 4.340 -0.001 0.000 0.238 211 R C -1.021 175.242 176.300 -0.061 0.000 1.136 211 R CA 1.925 58.008 56.100 -0.027 0.000 0.959 211 R CB -1.184 29.130 30.300 0.023 0.000 0.856 211 R HN 0.352 nan 8.270 nan 0.000 0.437 212 P HA -0.110 nan 4.420 nan 0.000 0.215 212 P C 0.439 177.665 177.300 -0.125 0.000 1.157 212 P CA 1.353 64.444 63.100 -0.015 0.000 0.868 212 P CB -0.102 31.578 31.700 -0.033 0.000 0.788 213 N N -0.746 117.756 118.700 -0.331 0.000 2.166 213 N HA -0.106 4.634 4.740 -0.001 0.000 0.186 213 N C 1.701 176.610 175.510 -1.002 0.000 1.019 213 N CA 1.474 53.937 53.050 -0.979 0.000 0.856 213 N CB -1.029 36.249 38.487 -2.015 0.000 0.993 213 N HN 0.029 nan 8.380 nan 0.000 0.426 214 A N 1.024 123.342 122.820 -0.837 0.000 1.908 214 A HA -0.105 4.214 4.320 -0.001 0.000 0.218 214 A C 2.312 179.971 177.584 0.125 0.000 1.181 214 A CA 1.033 52.964 52.037 -0.177 0.000 0.627 214 A CB -0.714 18.303 19.000 0.029 0.000 0.818 214 A HN 0.242 nan 8.150 nan 0.000 0.445 215 I N -0.766 119.823 120.570 0.032 0.000 2.179 215 I HA -0.242 3.928 4.170 -0.001 0.000 0.242 215 I C 2.162 178.331 176.117 0.087 0.000 1.088 215 I CA 0.912 62.277 61.300 0.108 0.000 1.357 215 I CB -0.312 37.711 38.000 0.038 0.000 1.051 215 I HN 0.212 nan 8.210 nan 0.000 0.409 216 L N 0.047 121.247 121.223 -0.037 0.000 2.093 216 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 216 L C 2.711 179.495 176.870 -0.144 0.000 1.085 216 L CA 1.696 56.419 54.840 -0.195 0.000 0.755 216 L CB -1.317 40.679 42.059 -0.104 0.000 0.904 216 L HN 0.226 nan 8.230 nan 0.000 0.435 217 S N -1.444 114.348 115.700 0.154 0.000 2.356 217 S HA -0.225 4.245 4.470 -0.001 0.000 0.223 217 S C 1.957 176.731 174.600 0.291 0.000 1.032 217 S CA 1.204 59.635 58.200 0.384 0.000 1.005 217 S CB -0.412 62.970 63.200 0.304 0.000 0.867 217 S HN 0.480 nan 8.310 nan 0.000 0.449 218 W N 1.469 122.938 121.300 0.280 0.000 2.402 218 W HA 0.106 4.766 4.660 -0.001 0.000 0.286 218 W C 2.537 179.102 176.519 0.076 0.000 1.221 218 W CA 0.804 58.253 57.345 0.173 0.000 1.257 218 W CB -0.196 29.317 29.460 0.088 0.000 1.120 218 W HN 0.258 nan 8.180 nan 0.000 0.551 219 K N -0.150 120.436 120.400 0.309 0.000 2.026 219 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 219 K C 1.707 178.449 176.600 0.237 0.000 1.048 219 K CA 1.656 58.089 56.287 0.243 0.000 0.929 219 K CB -1.119 31.446 32.500 0.108 0.000 0.713 219 K HN 0.104 nan 8.250 nan 0.000 0.439 220 Y N -0.609 119.849 120.300 0.263 0.000 2.165 220 Y HA -0.201 4.348 4.550 -0.001 0.000 0.286 220 Y C 2.369 178.406 175.900 0.228 0.000 1.155 220 Y CA 1.418 59.652 58.100 0.223 0.000 1.164 220 Y CB -1.107 37.493 38.460 0.233 0.000 0.978 220 Y HN 0.178 nan 8.280 nan 0.000 0.513 221 Y N -0.017 120.405 120.300 0.203 0.000 2.220 221 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 221 Y C 1.976 177.877 175.900 0.002 0.000 1.129 221 Y CA 1.255 59.348 58.100 -0.011 0.000 1.161 221 Y CB -0.563 37.622 38.460 -0.459 0.000 0.997 221 Y HN 0.033 nan 8.280 nan 0.000 0.522 222 L N -0.636 120.539 121.223 -0.079 0.000 2.446 222 L HA 0.259 4.598 4.340 -0.001 0.000 0.219 222 L C 1.109 177.988 176.870 0.014 0.000 1.116 222 L CA 0.472 55.182 54.840 -0.215 0.000 0.844 222 L CB -0.781 40.961 42.059 -0.529 0.000 0.970 222 L HN 0.378 nan 8.230 nan 0.000 0.457 223 G N 0.220 109.094 108.800 0.124 0.000 2.661 223 G HA2 -0.179 3.780 3.960 -0.001 0.000 0.685 223 G HA3 -0.179 3.780 3.960 -0.001 0.000 0.685 223 G C 0.130 175.140 174.900 0.183 0.000 1.298 223 G CA -0.536 44.655 45.100 0.153 0.000 0.855 223 G HN 0.069 nan 8.290 nan 0.000 0.560 224 E N -0.403 119.884 120.200 0.144 0.000 2.478 224 E HA -0.026 4.323 4.350 -0.001 0.000 0.198 224 E C 2.347 179.009 176.600 0.103 0.000 1.046 224 E CA 1.101 57.576 56.400 0.124 0.000 0.870 224 E CB 0.251 30.010 29.700 0.099 0.000 0.818 224 E HN 0.473 nan 8.360 nan 0.000 0.527 225 S N -0.094 115.673 115.700 0.112 0.000 2.458 225 S HA -0.084 4.385 4.470 -0.001 0.000 0.223 225 S C 0.649 175.314 174.600 0.107 0.000 1.019 225 S CA -0.398 57.855 58.200 0.090 0.000 0.937 225 S CB -0.147 63.104 63.200 0.085 0.000 0.788 225 S HN 0.270 nan 8.310 nan 0.000 0.511 226 Y N 3.292 123.606 120.300 0.023 0.000 2.620 226 Y HA 0.244 4.793 4.550 -0.001 0.000 0.330 226 Y C 1.057 176.960 175.900 0.005 0.000 1.186 226 Y CA 0.136 58.241 58.100 0.008 0.000 1.467 226 Y CB 0.691 39.162 38.460 0.018 0.000 1.262 226 Y HN 0.200 nan 8.280 nan 0.000 0.550 227 S N 3.604 119.006 115.700 -0.497 0.000 2.557 227 S HA 0.594 5.063 4.470 -0.001 0.000 0.223 227 S C 0.692 174.896 174.600 -0.659 0.000 0.969 227 S CA 0.001 57.935 58.200 -0.444 0.000 0.927 227 S CB -0.525 62.536 63.200 -0.232 0.000 0.806 227 S HN 1.564 nan 8.310 nan 0.000 0.489 228 G N 1.847 109.801 108.800 -1.409 0.000 2.422 228 G HA2 -0.020 3.940 3.960 -0.001 0.000 0.607 228 G HA3 -0.020 3.940 3.960 -0.001 0.000 0.607 228 G C -2.690 171.932 174.900 -0.463 0.000 1.270 228 G CA -0.418 44.178 45.100 -0.841 0.000 0.992 228 G HN 0.042 nan 8.290 nan 0.000 0.499 229 P HA -0.001 nan 4.420 nan 0.000 0.217 229 P C 1.262 178.506 177.300 -0.094 0.000 1.148 229 P CA 1.836 64.889 63.100 -0.079 0.000 0.828 229 P CB 0.005 31.659 31.700 -0.076 0.000 0.783 230 E N -1.345 118.781 120.200 -0.124 0.000 2.476 230 E HA -0.016 4.333 4.350 -0.001 0.000 0.191 230 E C 0.351 176.893 176.600 -0.097 0.000 1.064 230 E CA -0.122 56.220 56.400 -0.097 0.000 0.866 230 E CB -0.483 29.164 29.700 -0.088 0.000 0.952 230 E HN 0.210 nan 8.360 nan 0.000 0.492 231 D N 1.558 121.883 120.400 -0.124 0.000 2.434 231 D HA -0.038 4.601 4.640 -0.001 0.000 0.252 231 D C -1.347 174.933 176.300 -0.032 0.000 1.185 231 D CA -1.583 52.367 54.000 -0.084 0.000 0.886 231 D CB 1.116 41.850 40.800 -0.109 0.000 1.148 231 D HN 0.004 nan 8.370 nan 0.000 0.483 232 P HA 0.030 nan 4.420 nan 0.000 0.236 232 P C -0.354 176.931 177.300 -0.026 0.000 1.177 232 P CA 0.285 63.365 63.100 -0.033 0.000 0.773 232 P CB 0.495 32.176 31.700 -0.032 0.000 0.878 233 D N 0.540 120.936 120.400 -0.007 0.000 3.139 233 D HA 0.186 4.825 4.640 -0.001 0.000 0.268 233 D C -0.318 175.975 176.300 -0.012 0.000 1.322 233 D CA -0.172 53.826 54.000 -0.004 0.000 0.940 233 D CB 0.499 41.308 40.800 0.015 0.000 1.050 233 D HN -0.029 nan 8.370 nan 0.000 0.503 234 V N 0.753 120.632 119.914 -0.057 0.000 2.384 234 V HA 0.205 4.324 4.120 -0.001 0.000 0.287 234 V C 0.693 176.666 176.094 -0.201 0.000 1.020 234 V CA -0.859 61.355 62.300 -0.144 0.000 0.850 234 V CB 1.830 33.554 31.823 -0.165 0.000 0.987 234 V HN 0.192 nan 8.190 nan 0.000 0.436 235 S N 4.078 119.618 115.700 -0.267 0.000 2.560 235 S HA 0.141 4.610 4.470 -0.001 0.000 0.284 235 S C 1.446 175.847 174.600 -0.332 0.000 1.327 235 S CA -0.234 57.818 58.200 -0.247 0.000 1.055 235 S CB 0.273 63.416 63.200 -0.096 0.000 0.868 235 S HN 0.684 nan 8.310 nan 0.000 0.506 236 I N 2.601 122.944 120.570 -0.378 0.000 2.700 236 I HA -0.083 4.086 4.170 -0.001 0.000 0.261 236 I C 0.872 176.805 176.117 -0.306 0.000 1.219 236 I CA 1.285 62.369 61.300 -0.361 0.000 1.463 236 I CB -0.503 37.260 38.000 -0.395 0.000 1.092 236 I HN 0.648 nan 8.210 nan 0.000 0.452 237 Y N 1.664 121.960 120.300 -0.006 0.000 2.519 237 Y HA 0.282 4.831 4.550 -0.001 0.000 0.287 237 Y C 2.712 178.642 175.900 0.050 0.000 1.128 237 Y CA 0.423 58.574 58.100 0.085 0.000 1.282 237 Y CB -0.716 37.871 38.460 0.212 0.000 1.027 237 Y HN 0.214 nan 8.280 nan 0.000 0.551 238 A N 0.236 122.896 122.820 -0.267 0.000 1.878 238 A HA 0.441 4.760 4.320 -0.001 0.000 0.213 238 A C 1.396 179.010 177.584 0.050 0.000 1.192 238 A CA 0.915 52.661 52.037 -0.484 0.000 0.619 238 A CB -0.587 17.579 19.000 -1.391 0.000 0.837 238 A HN 0.199 nan 8.150 nan 0.000 0.446 239 A N -0.584 122.179 122.820 -0.095 0.000 2.842 239 A HA 0.627 4.947 4.320 -0.001 0.000 0.339 239 A C -1.978 175.549 177.584 -0.095 0.000 1.177 239 A CA -1.148 50.849 52.037 -0.067 0.000 0.797 239 A CB 0.497 19.280 19.000 -0.361 0.000 1.094 239 A HN 0.101 nan 8.150 nan 0.000 0.474 240 P HA -0.154 nan 4.420 nan 0.000 0.218 240 P C 1.603 178.876 177.300 -0.045 0.000 1.146 240 P CA 1.616 64.669 63.100 -0.079 0.000 0.813 240 P CB 0.299 31.878 31.700 -0.203 0.000 0.778 241 S N -0.776 114.855 115.700 -0.114 0.000 2.440 241 S HA -0.131 4.339 4.470 -0.001 0.000 0.238 241 S C 1.678 176.285 174.600 0.012 0.000 1.010 241 S CA 0.988 59.196 58.200 0.012 0.000 0.972 241 S CB -0.600 62.576 63.200 -0.041 0.000 0.774 241 S HN 0.278 nan 8.310 nan 0.000 0.501 242 R N 1.128 121.593 120.500 -0.059 0.000 2.276 242 R HA 0.207 4.546 4.340 -0.001 0.000 0.203 242 R C 0.786 177.054 176.300 -0.053 0.000 1.017 242 R CA 0.252 56.308 56.100 -0.074 0.000 1.010 242 R CB -0.138 30.085 30.300 -0.128 0.000 0.900 242 R HN 0.283 nan 8.270 nan 0.000 0.469 243 A N 0.805 123.616 122.820 -0.016 0.000 2.425 243 A HA 0.098 4.417 4.320 -0.001 0.000 0.249 243 A C 1.182 178.762 177.584 -0.006 0.000 1.084 243 A CA 0.071 52.096 52.037 -0.020 0.000 0.781 243 A CB 0.445 19.461 19.000 0.025 0.000 1.019 243 A HN 0.335 nan 8.150 nan 0.000 0.490 244 T N -1.386 113.151 114.554 -0.027 0.000 3.015 244 T HA 0.129 4.478 4.350 -0.001 0.000 0.250 244 T C 0.139 174.823 174.700 -0.027 0.000 1.057 244 T CA 0.803 62.887 62.100 -0.026 0.000 1.066 244 T CB -0.100 68.750 68.868 -0.030 0.000 0.959 244 T HN 0.613 nan 8.240 nan 0.000 0.488 245 D N 0.825 121.210 120.400 -0.024 0.000 2.460 245 D HA 0.338 4.978 4.640 -0.001 0.000 0.232 245 D C 0.423 176.709 176.300 -0.023 0.000 1.079 245 D CA -0.724 53.262 54.000 -0.023 0.000 0.864 245 D CB 0.654 41.446 40.800 -0.015 0.000 1.048 245 D HN 0.199 nan 8.370 nan 0.000 0.523 246 L N 2.792 123.986 121.223 -0.048 0.000 2.667 246 L HA 0.166 4.505 4.340 -0.001 0.000 0.232 246 L C 1.047 177.884 176.870 -0.054 0.000 1.138 246 L CA -0.184 54.613 54.840 -0.071 0.000 0.921 246 L CB -0.255 41.704 42.059 -0.167 0.000 1.180 246 L HN 0.437 nan 8.230 nan 0.000 0.487 247 T N -2.438 112.096 114.554 -0.032 0.000 2.898 247 T HA 0.365 4.714 4.350 -0.001 0.000 0.301 247 T C 1.348 176.045 174.700 -0.005 0.000 1.049 247 T CA 0.328 62.416 62.100 -0.021 0.000 1.095 247 T CB 1.477 70.337 68.868 -0.013 0.000 0.976 247 T HN 0.388 nan 8.240 nan 0.000 0.539 248 G N 1.171 109.972 108.800 0.001 0.000 2.155 248 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.257 248 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.257 248 G C 0.050 174.963 174.900 0.022 0.000 0.983 248 G CA 0.348 45.457 45.100 0.014 0.000 0.676 248 G HN 0.883 nan 8.290 nan 0.000 0.528 249 L N 0.770 122.001 121.223 0.013 0.000 2.466 249 L HA 0.437 4.777 4.340 -0.001 0.000 0.257 249 L C -1.343 175.545 176.870 0.030 0.000 1.189 249 L CA -2.071 52.783 54.840 0.023 0.000 0.813 249 L CB 0.387 42.450 42.059 0.008 0.000 1.118 249 L HN -0.058 nan 8.230 nan 0.000 0.471 250 P HA 0.199 nan 4.420 nan 0.000 0.274 250 P C -2.565 174.769 177.300 0.057 0.000 1.237 250 P CA -1.451 61.690 63.100 0.068 0.000 0.793 250 P CB -0.282 31.468 31.700 0.085 0.000 0.977 251 P HA 0.046 nan 4.420 nan 0.000 0.263 251 P C -0.535 176.761 177.300 -0.007 0.000 1.175 251 P CA 0.821 64.019 63.100 0.164 0.000 0.761 251 P CB 0.097 32.000 31.700 0.339 0.000 0.794 252 T N 2.639 117.162 114.554 -0.052 0.000 2.900 252 T HA 0.391 4.741 4.350 -0.001 0.000 0.295 252 T C -1.401 173.254 174.700 -0.075 0.000 1.044 252 T CA -0.277 61.682 62.100 -0.235 0.000 0.995 252 T CB 0.928 69.728 68.868 -0.113 0.000 1.072 252 T HN 0.193 nan 8.240 nan 0.000 0.473 253 Y N 2.669 122.817 120.300 -0.253 0.000 2.352 253 Y HA 0.766 5.315 4.550 -0.001 0.000 0.339 253 Y C -1.366 174.408 175.900 -0.210 0.000 0.992 253 Y CA -1.136 56.928 58.100 -0.061 0.000 1.100 253 Y CB 0.959 39.521 38.460 0.169 0.000 1.192 253 Y HN 0.594 nan 8.280 nan 0.000 0.458 254 L N 6.435 127.265 121.223 -0.656 0.000 2.439 254 L HA 0.586 4.925 4.340 -0.001 0.000 0.270 254 L C -1.177 175.385 176.870 -0.513 0.000 0.972 254 L CA -0.353 54.227 54.840 -0.434 0.000 0.836 254 L CB 1.566 43.514 42.059 -0.184 0.000 1.255 254 L HN 0.790 nan 8.230 nan 0.000 0.404 255 S N 1.698 117.222 115.700 -0.292 0.000 2.537 255 S HA 0.915 5.384 4.470 -0.001 0.000 0.301 255 S C -0.326 174.283 174.600 0.016 0.000 1.092 255 S CA -0.312 57.858 58.200 -0.050 0.000 1.048 255 S CB 1.904 65.246 63.200 0.237 0.000 1.053 255 S HN 0.682 nan 8.310 nan 0.000 0.501 256 T N -0.376 114.228 114.554 0.083 0.000 2.901 256 T HA 0.729 5.078 4.350 -0.001 0.000 0.293 256 T C -0.676 174.108 174.700 0.141 0.000 1.084 256 T CA -1.029 61.124 62.100 0.088 0.000 1.008 256 T CB 1.278 70.191 68.868 0.074 0.000 1.170 256 T HN 0.566 nan 8.240 nan 0.000 0.509 257 M N 1.373 121.043 119.600 0.116 0.000 2.528 257 M HA 0.457 4.937 4.480 -0.001 0.000 0.321 257 M C 1.297 177.681 176.300 0.141 0.000 1.153 257 M CA -0.851 54.511 55.300 0.104 0.000 0.951 257 M CB 1.633 34.245 32.600 0.020 0.000 1.705 257 M HN 1.088 nan 8.290 nan 0.000 0.451 258 E N 1.948 122.225 120.200 0.128 0.000 2.051 258 E HA -0.095 4.254 4.350 -0.001 0.000 0.192 258 E C 0.655 177.374 176.600 0.198 0.000 0.991 258 E CA 1.410 57.907 56.400 0.162 0.000 0.799 258 E CB 0.235 30.012 29.700 0.128 0.000 0.748 258 E HN 0.626 nan 8.360 nan 0.000 0.449 259 L N 1.379 122.616 121.223 0.022 0.000 2.728 259 L HA 0.196 4.535 4.340 -0.001 0.000 0.235 259 L C 0.077 176.766 176.870 -0.303 0.000 1.197 259 L CA -0.478 54.138 54.840 -0.373 0.000 0.992 259 L CB 0.232 42.037 42.059 -0.424 0.000 1.263 259 L HN 0.045 nan 8.230 nan 0.000 0.484 260 D N 1.025 121.502 120.400 0.130 0.000 2.249 260 D HA 0.175 4.815 4.640 -0.001 0.000 0.246 260 D C -1.560 175.036 176.300 0.494 0.000 1.114 260 D CA -2.228 51.941 54.000 0.282 0.000 0.854 260 D CB 2.000 42.975 40.800 0.293 0.000 1.132 260 D HN -0.159 nan 8.370 nan 0.000 0.461 261 P HA -0.087 nan 4.420 nan 0.000 0.219 261 P C 1.433 178.910 177.300 0.295 0.000 1.146 261 P CA 0.814 64.188 63.100 0.457 0.000 0.808 261 P CB 0.249 32.148 31.700 0.331 0.000 0.779 262 L N -1.044 120.346 121.223 0.278 0.000 2.552 262 L HA 0.043 4.382 4.340 -0.001 0.000 0.227 262 L C 2.814 179.778 176.870 0.156 0.000 1.146 262 L CA 0.350 55.305 54.840 0.192 0.000 0.858 262 L CB -0.614 41.529 42.059 0.141 0.000 0.969 262 L HN -0.057 nan 8.230 nan 0.000 0.451 263 R N 0.829 121.444 120.500 0.190 0.000 2.080 263 R HA -0.204 4.135 4.340 -0.001 0.000 0.236 263 R C 1.569 177.927 176.300 0.097 0.000 1.137 263 R CA 2.229 58.420 56.100 0.151 0.000 0.943 263 R CB -0.064 30.361 30.300 0.209 0.000 0.846 263 R HN 0.292 nan 8.270 nan 0.000 0.431 264 D N 0.265 120.710 120.400 0.075 0.000 2.144 264 D HA -0.173 4.466 4.640 -0.001 0.000 0.200 264 D C 1.851 178.179 176.300 0.046 0.000 0.978 264 D CA 1.588 55.612 54.000 0.041 0.000 0.833 264 D CB -0.258 40.545 40.800 0.005 0.000 0.961 264 D HN 0.595 nan 8.370 nan 0.000 0.470 265 E N 0.477 120.710 120.200 0.056 0.000 2.204 265 E HA -0.093 4.256 4.350 -0.001 0.000 0.194 265 E C 2.119 178.761 176.600 0.069 0.000 0.989 265 E CA 1.223 57.655 56.400 0.054 0.000 0.824 265 E CB -0.508 29.222 29.700 0.049 0.000 0.756 265 E HN 0.212 nan 8.360 nan 0.000 0.477 266 G N 2.036 110.874 108.800 0.063 0.000 2.404 266 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.215 266 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.215 266 G C 1.662 176.605 174.900 0.071 0.000 1.174 266 G CA 0.942 46.078 45.100 0.061 0.000 0.780 266 G HN 0.221 nan 8.290 nan 0.000 0.537 267 I N 0.575 121.174 120.570 0.049 0.000 2.226 267 I HA -0.150 4.019 4.170 -0.001 0.000 0.245 267 I C 2.752 178.891 176.117 0.037 0.000 1.100 267 I CA 1.232 62.550 61.300 0.029 0.000 1.374 267 I CB -0.263 37.750 38.000 0.022 0.000 1.057 267 I HN 0.251 nan 8.210 nan 0.000 0.413 268 E N -0.112 120.120 120.200 0.053 0.000 2.110 268 E HA -0.261 4.089 4.350 -0.001 0.000 0.193 268 E C 2.069 178.719 176.600 0.084 0.000 0.988 268 E CA 1.288 57.719 56.400 0.052 0.000 0.804 268 E CB -0.168 29.563 29.700 0.051 0.000 0.745 268 E HN 0.462 nan 8.360 nan 0.000 0.458 269 Y N 1.087 121.373 120.300 -0.023 0.000 2.200 269 Y HA -0.176 4.374 4.550 -0.001 0.000 0.290 269 Y C 2.223 178.102 175.900 -0.035 0.000 1.137 269 Y CA 1.228 59.312 58.100 -0.026 0.000 1.163 269 Y CB -0.392 38.055 38.460 -0.021 0.000 0.988 269 Y HN -0.008 nan 8.280 nan 0.000 0.518 270 A N -0.138 122.705 122.820 0.038 0.000 1.908 270 A HA -0.210 4.110 4.320 -0.001 0.000 0.218 270 A C 2.184 179.715 177.584 -0.089 0.000 1.181 270 A CA 1.821 53.824 52.037 -0.056 0.000 0.627 270 A CB -1.242 17.734 19.000 -0.040 0.000 0.818 270 A HN 0.521 nan 8.150 nan 0.000 0.445 271 L N -0.216 120.973 121.223 -0.057 0.000 2.046 271 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 271 L C 2.407 179.227 176.870 -0.083 0.000 1.077 271 L CA 2.022 56.828 54.840 -0.058 0.000 0.747 271 L CB -0.537 41.502 42.059 -0.034 0.000 0.896 271 L HN 0.349 nan 8.230 nan 0.000 0.432 272 R N -0.947 119.488 120.500 -0.109 0.000 2.115 272 R HA -0.066 4.273 4.340 -0.001 0.000 0.230 272 R C 2.272 178.460 176.300 -0.187 0.000 1.111 272 R CA 1.411 57.430 56.100 -0.134 0.000 0.976 272 R CB -0.431 29.788 30.300 -0.135 0.000 0.870 272 R HN 0.378 nan 8.270 nan 0.000 0.445 273 L N 0.525 121.584 121.223 -0.272 0.000 2.017 273 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 273 L C 2.333 179.124 176.870 -0.131 0.000 1.073 273 L CA 1.361 56.057 54.840 -0.241 0.000 0.745 273 L CB -0.473 41.418 42.059 -0.280 0.000 0.894 273 L HN 0.197 nan 8.230 nan 0.000 0.432 274 L N -0.728 120.433 121.223 -0.103 0.000 2.013 274 L HA -0.292 4.048 4.340 -0.001 0.000 0.212 274 L C 2.668 179.505 176.870 -0.055 0.000 1.073 274 L CA 1.502 56.304 54.840 -0.063 0.000 0.753 274 L CB -0.474 41.553 42.059 -0.053 0.000 0.890 274 L HN 0.347 nan 8.230 nan 0.000 0.432 275 Q N -0.779 118.983 119.800 -0.062 0.000 2.291 275 Q HA -0.097 4.242 4.340 -0.001 0.000 0.205 275 Q C 1.945 177.916 176.000 -0.048 0.000 0.970 275 Q CA 1.069 56.842 55.803 -0.049 0.000 0.876 275 Q CB -0.098 28.611 28.738 -0.049 0.000 0.935 275 Q HN 0.545 nan 8.270 nan 0.000 0.455 276 A N -0.212 122.571 122.820 -0.062 0.000 2.278 276 A HA 0.343 4.662 4.320 -0.001 0.000 0.212 276 A C 1.384 178.945 177.584 -0.039 0.000 1.213 276 A CA 0.648 52.652 52.037 -0.054 0.000 0.840 276 A CB -0.167 18.789 19.000 -0.075 0.000 0.866 276 A HN 0.413 nan 8.150 nan 0.000 0.489 277 G N -1.457 107.323 108.800 -0.034 0.000 2.157 277 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.248 277 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.248 277 G C 0.169 175.062 174.900 -0.012 0.000 0.979 277 G CA 0.107 45.196 45.100 -0.018 0.000 0.650 277 G HN 0.754 nan 8.290 nan 0.000 0.529 278 V N 1.063 120.962 119.914 -0.025 0.000 2.583 278 V HA 0.572 4.691 4.120 -0.001 0.000 0.287 278 V C 1.258 177.352 176.094 0.000 0.000 1.051 278 V CA 0.415 62.706 62.300 -0.014 0.000 1.010 278 V CB 1.689 33.487 31.823 -0.042 0.000 0.988 278 V HN 0.531 nan 8.190 nan 0.000 0.478 279 S N 4.111 119.830 115.700 0.032 0.000 2.488 279 S HA 0.417 4.886 4.470 -0.001 0.000 0.278 279 S C -0.542 174.094 174.600 0.059 0.000 1.259 279 S CA -0.393 57.840 58.200 0.055 0.000 1.061 279 S CB 0.063 63.317 63.200 0.091 0.000 0.910 279 S HN 0.517 nan 8.310 nan 0.000 0.491 280 V N 5.185 125.122 119.914 0.039 0.000 2.789 280 V HA 0.480 4.599 4.120 -0.001 0.000 0.311 280 V C -0.249 175.866 176.094 0.035 0.000 1.073 280 V CA -0.925 61.388 62.300 0.022 0.000 0.921 280 V CB 1.970 33.771 31.823 -0.036 0.000 1.009 280 V HN 0.883 nan 8.190 nan 0.000 0.426 281 E N 3.108 123.341 120.200 0.055 0.000 2.133 281 E HA 0.593 4.942 4.350 -0.001 0.000 0.274 281 E C -1.551 174.940 176.600 -0.182 0.000 0.930 281 E CA -0.674 55.737 56.400 0.019 0.000 0.770 281 E CB 1.638 31.475 29.700 0.229 0.000 1.104 281 E HN 0.556 nan 8.360 nan 0.000 0.403 282 L N 5.249 126.370 121.223 -0.169 0.000 2.333 282 L HA 0.438 4.777 4.340 -0.001 0.000 0.280 282 L C -1.740 175.029 176.870 -0.168 0.000 1.004 282 L CA -0.427 54.292 54.840 -0.202 0.000 0.820 282 L CB 1.458 43.445 42.059 -0.119 0.000 1.247 282 L HN 0.717 nan 8.230 nan 0.000 0.416 283 H N 2.817 121.696 119.070 -0.317 0.000 3.013 283 H HA 0.414 4.969 4.556 -0.001 0.000 0.326 283 H C -1.256 173.899 175.328 -0.288 0.000 0.973 283 H CA -0.490 55.351 56.048 -0.346 0.000 1.369 283 H CB 1.431 30.952 29.762 -0.402 0.000 1.598 283 H HN 0.679 nan 8.280 nan 0.000 0.518 284 S N 5.068 120.768 115.700 0.000 0.000 2.422 284 S HA 0.293 4.762 4.470 -0.001 0.000 0.298 284 S C -0.742 173.809 174.600 -0.082 0.000 1.118 284 S CA -0.558 57.643 58.200 0.003 0.000 1.083 284 S CB -0.031 63.192 63.200 0.039 0.000 0.971 284 S HN 0.397 nan 8.310 nan 0.000 0.478 285 F N 6.435 126.347 119.950 -0.063 0.000 2.385 285 F HA 0.434 4.960 4.527 -0.001 0.000 0.336 285 F C -1.564 174.221 175.800 -0.025 0.000 1.100 285 F CA -1.857 56.075 58.000 -0.114 0.000 1.116 285 F CB 1.121 39.997 39.000 -0.207 0.000 1.166 285 F HN 0.401 nan 8.300 nan 0.000 0.511 286 P HA 0.224 nan 4.420 nan 0.000 0.282 286 P C 0.302 177.665 177.300 0.104 0.000 1.249 286 P CA -0.056 63.112 63.100 0.113 0.000 0.806 286 P CB 1.481 33.238 31.700 0.095 0.000 0.984 287 G N 1.308 110.163 108.800 0.092 0.000 2.153 287 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.252 287 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.252 287 G C 0.272 175.209 174.900 0.061 0.000 0.994 287 G CA 0.623 45.772 45.100 0.082 0.000 0.698 287 G HN 0.906 nan 8.290 nan 0.000 0.521 288 T N -1.573 113.003 114.554 0.036 0.000 2.937 288 T HA 0.874 5.223 4.350 -0.001 0.000 0.283 288 T C -0.099 174.595 174.700 -0.011 0.000 1.012 288 T CA -0.309 61.750 62.100 -0.069 0.000 0.997 288 T CB 2.391 71.193 68.868 -0.111 0.000 1.136 288 T HN 1.382 nan 8.240 nan 0.000 0.551 289 F N -2.248 117.647 119.950 -0.091 0.000 2.692 289 F HA 0.649 5.175 4.527 -0.001 0.000 0.320 289 F C -0.320 175.455 175.800 -0.042 0.000 1.123 289 F CA -1.772 56.163 58.000 -0.108 0.000 0.961 289 F CB 0.326 39.208 39.000 -0.198 0.000 1.383 289 F HN 0.810 nan 8.300 nan 0.000 0.483 290 H N 0.462 119.652 119.070 0.199 0.000 3.145 290 H HA 0.398 4.953 4.556 -0.001 0.000 0.288 290 H C 1.045 176.430 175.328 0.095 0.000 0.969 290 H CA 1.574 57.679 56.048 0.096 0.000 1.444 290 H CB 0.170 30.010 29.762 0.131 0.000 1.500 290 H HN 1.131 nan 8.280 nan 0.000 0.552 291 G N 2.946 111.498 108.800 -0.412 0.000 2.157 291 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.248 291 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.248 291 G C 1.392 176.099 174.900 -0.322 0.000 0.979 291 G CA 0.843 45.792 45.100 -0.251 0.000 0.650 291 G HN 0.873 nan 8.290 nan 0.000 0.529 292 S N -0.183 115.056 115.700 -0.768 0.000 2.474 292 S HA 0.310 4.779 4.470 -0.001 0.000 0.235 292 S C 2.501 176.805 174.600 -0.494 0.000 0.997 292 S CA 1.330 58.917 58.200 -1.022 0.000 0.949 292 S CB -0.187 62.048 63.200 -1.609 0.000 0.766 292 S HN 1.750 nan 8.310 nan 0.000 0.517 293 A N 1.991 124.575 122.820 -0.393 0.000 2.076 293 A HA 0.088 4.407 4.320 -0.001 0.000 0.220 293 A C 2.132 179.598 177.584 -0.197 0.000 1.160 293 A CA 1.197 53.060 52.037 -0.289 0.000 0.653 293 A CB -0.851 17.983 19.000 -0.277 0.000 0.801 293 A HN 0.587 nan 8.150 nan 0.000 0.455 294 L N -0.298 120.830 121.223 -0.159 0.000 2.265 294 L HA -0.097 4.242 4.340 -0.001 0.000 0.215 294 L C 0.420 177.248 176.870 -0.070 0.000 1.117 294 L CA 0.304 55.095 54.840 -0.082 0.000 0.782 294 L CB -0.283 41.763 42.059 -0.022 0.000 0.914 294 L HN 0.167 nan 8.230 nan 0.000 0.441 295 V N 0.823 120.682 119.914 -0.092 0.000 2.149 295 V HA 0.113 4.232 4.120 -0.001 0.000 0.245 295 V C 1.353 177.395 176.094 -0.085 0.000 1.349 295 V CA 0.425 62.687 62.300 -0.063 0.000 1.289 295 V CB 0.110 31.904 31.823 -0.048 0.000 1.401 295 V HN 0.273 nan 8.190 nan 0.000 0.501 296 A N 3.281 126.058 122.820 -0.073 0.000 2.067 296 A HA -0.069 4.250 4.320 -0.001 0.000 0.217 296 A C 2.292 179.836 177.584 -0.067 0.000 1.156 296 A CA 1.574 53.562 52.037 -0.082 0.000 0.683 296 A CB -0.323 18.634 19.000 -0.072 0.000 0.808 296 A HN 0.738 nan 8.150 nan 0.000 0.455 297 T N -1.867 112.657 114.554 -0.050 0.000 2.995 297 T HA 0.357 4.706 4.350 -0.001 0.000 0.269 297 T C 1.014 175.693 174.700 -0.036 0.000 1.091 297 T CA 0.516 62.594 62.100 -0.037 0.000 1.128 297 T CB -0.601 68.252 68.868 -0.024 0.000 0.891 297 T HN 0.618 nan 8.240 nan 0.000 0.492 298 A N 1.007 123.799 122.820 -0.046 0.000 2.498 298 A HA 0.697 5.016 4.320 -0.001 0.000 0.239 298 A C 1.917 179.475 177.584 -0.042 0.000 1.068 298 A CA 0.110 52.123 52.037 -0.040 0.000 0.766 298 A CB -0.185 18.781 19.000 -0.057 0.000 1.003 298 A HN 0.548 nan 8.150 nan 0.000 0.497 299 A N 2.284 125.092 122.820 -0.020 0.000 1.933 299 A HA -0.044 4.275 4.320 -0.001 0.000 0.218 299 A C 2.076 179.651 177.584 -0.015 0.000 1.175 299 A CA 1.925 53.956 52.037 -0.010 0.000 0.628 299 A CB -0.830 18.176 19.000 0.010 0.000 0.814 299 A HN 1.467 nan 8.150 nan 0.000 0.444 300 V N -0.283 119.616 119.914 -0.024 0.000 2.427 300 V HA -0.166 3.954 4.120 -0.001 0.000 0.248 300 V C 2.520 178.517 176.094 -0.160 0.000 1.051 300 V CA 2.698 64.979 62.300 -0.032 0.000 1.048 300 V CB -0.410 31.405 31.823 -0.013 0.000 0.666 300 V HN 0.559 nan 8.190 nan 0.000 0.456 301 S N -0.152 115.441 115.700 -0.179 0.000 2.368 301 S HA -0.190 4.279 4.470 -0.001 0.000 0.224 301 S C 1.735 176.232 174.600 -0.172 0.000 1.029 301 S CA 1.780 59.841 58.200 -0.231 0.000 0.988 301 S CB -0.294 62.791 63.200 -0.192 0.000 0.838 301 S HN 0.756 nan 8.310 nan 0.000 0.462 302 E N 1.059 121.198 120.200 -0.101 0.000 2.077 302 E HA -0.127 4.223 4.350 -0.001 0.000 0.193 302 E C 2.404 178.982 176.600 -0.037 0.000 0.989 302 E CA 0.827 57.190 56.400 -0.062 0.000 0.800 302 E CB -0.136 29.543 29.700 -0.036 0.000 0.746 302 E HN 0.357 nan 8.360 nan 0.000 0.452 303 R N 0.087 120.582 120.500 -0.009 0.000 2.091 303 R HA -0.121 4.218 4.340 -0.001 0.000 0.238 303 R C 2.533 178.880 176.300 0.077 0.000 1.136 303 R CA 1.279 57.423 56.100 0.073 0.000 0.959 303 R CB -0.562 29.837 30.300 0.165 0.000 0.856 303 R HN 0.230 nan 8.270 nan 0.000 0.437 304 G N 0.590 109.311 108.800 -0.131 0.000 2.418 304 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.217 304 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.217 304 G C 1.548 176.398 174.900 -0.084 0.000 1.158 304 G CA 0.809 45.733 45.100 -0.294 0.000 0.771 304 G HN 0.420 nan 8.290 nan 0.000 0.545 305 A N 1.175 123.933 122.820 -0.104 0.000 1.902 305 A HA 0.274 4.593 4.320 -0.001 0.000 0.217 305 A C 2.818 180.402 177.584 0.001 0.000 1.181 305 A CA 2.249 54.257 52.037 -0.048 0.000 0.623 305 A CB -0.790 18.171 19.000 -0.065 0.000 0.818 305 A HN 0.779 nan 8.150 nan 0.000 0.443 306 A N -0.365 122.459 122.820 0.007 0.000 1.902 306 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 306 A C 2.031 179.642 177.584 0.044 0.000 1.181 306 A CA 1.838 53.885 52.037 0.017 0.000 0.623 306 A CB -0.523 18.492 19.000 0.024 0.000 0.818 306 A HN 0.679 nan 8.150 nan 0.000 0.443 307 E N -0.197 120.065 120.200 0.104 0.000 2.150 307 E HA -0.055 4.294 4.350 -0.001 0.000 0.193 307 E C 2.063 178.690 176.600 0.045 0.000 0.985 307 E CA 0.854 57.341 56.400 0.146 0.000 0.814 307 E CB -0.241 29.660 29.700 0.335 0.000 0.752 307 E HN 0.536 nan 8.360 nan 0.000 0.466 308 A N 1.103 123.947 122.820 0.039 0.000 1.902 308 A HA -0.164 4.155 4.320 -0.001 0.000 0.217 308 A C 2.174 179.738 177.584 -0.032 0.000 1.181 308 A CA 1.166 53.222 52.037 0.033 0.000 0.623 308 A CB -0.644 18.445 19.000 0.147 0.000 0.818 308 A HN 0.319 nan 8.150 nan 0.000 0.443 309 L N -0.972 120.233 121.223 -0.030 0.000 2.056 309 L HA -0.148 4.192 4.340 -0.001 0.000 0.207 309 L C 2.802 179.620 176.870 -0.087 0.000 1.078 309 L CA 1.726 56.507 54.840 -0.097 0.000 0.749 309 L CB -0.963 41.027 42.059 -0.115 0.000 0.901 309 L HN 0.344 nan 8.230 nan 0.000 0.433 310 T N 0.033 114.563 114.554 -0.040 0.000 2.720 310 T HA -0.213 4.136 4.350 -0.001 0.000 0.268 310 T C 1.985 176.679 174.700 -0.009 0.000 1.037 310 T CA 1.473 63.562 62.100 -0.018 0.000 1.144 310 T CB -0.210 68.673 68.868 0.025 0.000 0.864 310 T HN 0.463 nan 8.240 nan 0.000 0.444 311 A N 0.890 123.718 122.820 0.013 0.000 1.877 311 A HA -0.002 4.317 4.320 -0.001 0.000 0.216 311 A C 2.282 179.829 177.584 -0.061 0.000 1.186 311 A CA 1.231 53.315 52.037 0.078 0.000 0.620 311 A CB -0.702 18.356 19.000 0.096 0.000 0.822 311 A HN 0.528 nan 8.150 nan 0.000 0.443 312 I N -1.201 119.360 120.570 -0.015 0.000 2.252 312 I HA -0.208 3.961 4.170 -0.001 0.000 0.245 312 I C 2.675 178.781 176.117 -0.019 0.000 1.102 312 I CA 1.438 62.708 61.300 -0.050 0.000 1.385 312 I CB -0.316 37.688 38.000 0.006 0.000 1.064 312 I HN 0.352 nan 8.210 nan 0.000 0.414 313 R N 1.101 121.589 120.500 -0.020 0.000 2.103 313 R HA -0.230 4.109 4.340 -0.001 0.000 0.242 313 R C 2.528 178.844 176.300 0.027 0.000 1.142 313 R CA 1.779 57.898 56.100 0.032 0.000 0.960 313 R CB -0.221 30.019 30.300 -0.099 0.000 0.858 313 R HN 0.245 nan 8.270 nan 0.000 0.439 314 R N -0.539 119.914 120.500 -0.078 0.000 2.093 314 R HA -0.048 4.292 4.340 -0.001 0.000 0.224 314 R C 2.153 178.338 176.300 -0.193 0.000 1.101 314 R CA 1.377 57.425 56.100 -0.086 0.000 0.979 314 R CB -0.421 29.852 30.300 -0.045 0.000 0.877 314 R HN 0.387 nan 8.270 nan 0.000 0.441 315 G N 0.826 109.317 108.800 -0.514 0.000 2.432 315 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.219 315 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.219 315 G C 1.178 175.850 174.900 -0.380 0.000 1.135 315 G CA 0.428 44.995 45.100 -0.888 0.000 0.767 315 G HN 0.277 nan 8.290 nan 0.000 0.550 316 L N 1.061 122.136 121.223 -0.247 0.000 2.872 316 L HA 0.251 4.590 4.340 -0.001 0.000 0.245 316 L C 1.133 177.935 176.870 -0.113 0.000 1.211 316 L CA -0.594 54.133 54.840 -0.188 0.000 1.013 316 L CB 0.022 41.841 42.059 -0.400 0.000 1.326 316 L HN 0.258 nan 8.230 nan 0.000 0.525 317 R N 0.472 120.950 120.500 -0.037 0.000 2.679 317 R HA 0.152 4.491 4.340 -0.001 0.000 0.268 317 R C 0.708 177.002 176.300 -0.012 0.000 1.044 317 R CA 0.056 56.158 56.100 0.004 0.000 1.105 317 R CB 0.115 30.419 30.300 0.007 0.000 0.989 317 R HN 0.199 nan 8.270 nan 0.000 0.447 318 S N 0.000 115.701 115.700 0.001 0.000 2.498 318 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 318 S CA 0.000 58.199 58.200 -0.001 0.000 1.107 318 S CB 0.000 63.205 63.200 0.008 0.000 0.593 318 S HN 0.000 nan 8.310 nan 0.000 0.517