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 1axg_1_C DATA FIRST_RESID 1 DATA SEQUENCE STAGKVIKCK AAVLWEEKKP FSIEEVEVAP PKAHEVRIKM VATGICRSDD DATA SEQUENCE HVVSGTLVTP LPVIAGHEAA GIVESIGEGV TTVRPGDKVI PLFTPQCGKC DATA SEQUENCE RVCKHPEGNF CLKNDLSMPR GTMQDGTSRF TCRGKPIHHF LGTSTFSQYT DATA SEQUENCE VVDEISVAKI DAASPLEKVC LIGCGFSTGY GSAVKVAKVT QGSTCAVFGL DATA SEQUENCE GGAGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV IVGVPPDSQN DATA SEQUENCE LSMNPMLLLS GRTWKGAIFG GFKSKDSVPK LVADFMAKKF ALDPLITHVL DATA SEQUENCE PFEKINEGFD LLRSGESIRT ILTF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.582 174.600 -0.030 0.000 1.055 1 S CA 0.000 58.190 58.200 -0.016 0.000 1.107 1 S CB 0.000 63.191 63.200 -0.014 0.000 0.593 2 T N 0.235 114.765 114.554 -0.039 0.000 3.015 2 T HA 0.526 4.876 4.350 0.001 0.000 0.250 2 T C 0.895 175.555 174.700 -0.068 0.000 1.057 2 T CA 0.614 62.670 62.100 -0.073 0.000 1.066 2 T CB -0.221 68.576 68.868 -0.118 0.000 0.959 2 T HN 1.138 nan 8.240 nan 0.000 0.488 3 A N 0.998 123.793 122.820 -0.042 0.000 2.520 3 A HA 0.540 4.861 4.320 0.001 0.000 0.245 3 A C 1.715 179.279 177.584 -0.034 0.000 1.072 3 A CA 0.293 52.310 52.037 -0.034 0.000 0.761 3 A CB -1.038 17.950 19.000 -0.019 0.000 1.004 3 A HN 1.441 nan 8.150 nan 0.000 0.499 4 G N 1.579 110.357 108.800 -0.036 0.000 2.199 4 G HA2 -0.243 3.718 3.960 0.001 0.000 0.254 4 G HA3 -0.243 3.718 3.960 0.001 0.000 0.254 4 G C 0.132 175.010 174.900 -0.036 0.000 0.982 4 G CA 0.848 45.927 45.100 -0.034 0.000 0.632 4 G HN 1.390 nan 8.290 nan 0.000 0.529 5 K N -0.670 119.704 120.400 -0.043 0.000 2.433 5 K HA 0.810 5.131 4.320 0.001 0.000 0.252 5 K C -0.212 176.355 176.600 -0.054 0.000 1.015 5 K CA -1.084 55.177 56.287 -0.042 0.000 0.860 5 K CB 2.185 34.663 32.500 -0.038 0.000 1.359 5 K HN 0.165 nan 8.250 nan 0.000 0.452 6 V N 1.974 121.861 119.914 -0.044 0.000 2.572 6 V HA 0.135 4.255 4.120 0.001 0.000 0.291 6 V C 0.149 176.203 176.094 -0.066 0.000 1.039 6 V CA -0.084 62.189 62.300 -0.045 0.000 1.055 6 V CB 0.070 31.879 31.823 -0.022 0.000 0.969 6 V HN 0.552 nan 8.190 nan 0.000 0.482 7 I N 5.265 125.780 120.570 -0.092 0.000 2.354 7 I HA 0.388 4.559 4.170 0.001 0.000 0.292 7 I C 0.186 176.259 176.117 -0.073 0.000 0.989 7 I CA -0.517 60.695 61.300 -0.147 0.000 1.188 7 I CB 1.411 39.214 38.000 -0.330 0.000 1.342 7 I HN 0.550 nan 8.210 nan 0.000 0.457 8 K N 6.134 126.508 120.400 -0.044 0.000 2.213 8 K HA 0.605 4.925 4.320 0.001 0.000 0.270 8 K C -0.768 175.855 176.600 0.038 0.000 1.002 8 K CA -0.464 55.833 56.287 0.017 0.000 0.868 8 K CB 1.447 33.963 32.500 0.027 0.000 1.093 8 K HN 0.780 nan 8.250 nan 0.000 0.454 9 C N -0.097 119.258 119.300 0.091 0.000 3.292 9 C HA 0.551 5.012 4.460 0.001 0.000 0.369 9 C C -1.189 173.894 174.990 0.155 0.000 1.664 9 C CA -1.291 57.812 59.018 0.142 0.000 1.204 9 C CB 0.878 28.754 27.740 0.227 0.000 1.978 9 C HN 0.682 nan 8.230 nan 0.000 0.435 10 K N 0.549 121.058 120.400 0.183 0.000 2.164 10 K HA 0.810 5.130 4.320 0.001 0.000 0.258 10 K C -0.437 176.316 176.600 0.255 0.000 0.951 10 K CA 0.098 56.520 56.287 0.225 0.000 0.844 10 K CB 1.976 34.639 32.500 0.271 0.000 1.099 10 K HN 1.061 nan 8.250 nan 0.000 0.435 11 A N 0.932 123.941 122.820 0.315 0.000 2.566 11 A HA 0.752 5.072 4.320 0.001 0.000 0.292 11 A C -1.580 176.247 177.584 0.405 0.000 1.112 11 A CA -0.803 51.453 52.037 0.364 0.000 0.707 11 A CB 1.694 20.747 19.000 0.088 0.000 1.302 11 A HN 0.654 nan 8.150 nan 0.000 0.409 12 A N 0.976 124.060 122.820 0.440 0.000 2.582 12 A HA 0.560 4.881 4.320 0.001 0.000 0.336 12 A C -0.385 177.355 177.584 0.260 0.000 1.445 12 A CA -0.289 51.864 52.037 0.193 0.000 0.997 12 A CB -0.624 18.259 19.000 -0.194 0.000 1.148 12 A HN 1.102 nan 8.150 nan 0.000 0.514 13 V N 3.459 123.451 119.914 0.130 0.000 2.455 13 V HA 0.136 4.256 4.120 0.001 0.000 0.273 13 V C 0.119 176.142 176.094 -0.119 0.000 1.045 13 V CA -0.337 61.899 62.300 -0.107 0.000 0.976 13 V CB 1.022 32.596 31.823 -0.415 0.000 0.993 13 V HN 0.727 nan 8.190 nan 0.000 0.475 14 L N 5.732 126.870 121.223 -0.142 0.000 2.282 14 L HA 0.366 4.706 4.340 0.001 0.000 0.287 14 L C 0.191 176.923 176.870 -0.231 0.000 1.075 14 L CA 0.277 54.962 54.840 -0.259 0.000 0.839 14 L CB 0.396 42.255 42.059 -0.334 0.000 1.219 14 L HN 0.709 nan 8.230 nan 0.000 0.434 15 W N 2.408 123.648 121.300 -0.100 0.000 2.443 15 W HA 0.099 4.759 4.660 0.000 0.000 0.296 15 W C 0.672 177.154 176.519 -0.062 0.000 1.202 15 W CA 0.230 57.543 57.345 -0.053 0.000 1.312 15 W CB 0.288 29.722 29.460 -0.043 0.000 1.120 15 W HN 0.424 nan 8.180 nan 0.000 0.536 16 E N -0.691 119.576 120.200 0.112 0.000 2.393 16 E HA 0.181 4.531 4.350 0.001 0.000 0.273 16 E C -1.000 175.563 176.600 -0.061 0.000 0.918 16 E CA -0.871 55.548 56.400 0.032 0.000 0.773 16 E CB 2.001 31.723 29.700 0.036 0.000 1.275 16 E HN -0.174 nan 8.360 nan 0.000 0.451 17 E N 1.309 121.477 120.200 -0.054 0.000 2.392 17 E HA 0.003 4.353 4.350 0.001 0.000 0.264 17 E C -0.628 175.919 176.600 -0.089 0.000 1.024 17 E CA 0.339 56.691 56.400 -0.080 0.000 0.903 17 E CB 0.366 30.039 29.700 -0.045 0.000 0.963 17 E HN 0.396 nan 8.360 nan 0.000 0.432 18 K N 0.996 121.326 120.400 -0.116 0.000 3.129 18 K HA -0.180 4.140 4.320 0.001 0.000 0.273 18 K C -0.566 175.961 176.600 -0.122 0.000 1.123 18 K CA 0.685 56.911 56.287 -0.103 0.000 0.800 18 K CB -0.711 31.756 32.500 -0.056 0.000 1.238 18 K HN 0.289 nan 8.250 nan 0.000 0.492 19 K N -0.147 120.142 120.400 -0.186 0.000 2.385 19 K HA 0.464 4.784 4.320 0.001 0.000 0.248 19 K C -2.570 173.848 176.600 -0.303 0.000 0.955 19 K CA -2.264 53.915 56.287 -0.179 0.000 0.816 19 K CB 1.798 34.226 32.500 -0.120 0.000 1.250 19 K HN -0.251 nan 8.250 nan 0.000 0.434 20 P HA 0.154 nan 4.420 nan 0.000 0.274 20 P C -0.533 176.564 177.300 -0.338 0.000 1.260 20 P CA -0.164 62.783 63.100 -0.255 0.000 0.793 20 P CB 0.289 31.926 31.700 -0.105 0.000 1.048 21 F N -0.315 119.515 119.950 -0.201 0.000 2.424 21 F HA 0.184 4.711 4.527 0.001 0.000 0.356 21 F C 1.343 177.095 175.800 -0.079 0.000 1.110 21 F CA 0.145 58.040 58.000 -0.176 0.000 1.161 21 F CB 0.386 39.203 39.000 -0.305 0.000 1.115 21 F HN 0.047 nan 8.300 nan 0.000 0.507 22 S N 5.325 121.133 115.700 0.181 0.000 2.423 22 S HA 0.274 4.745 4.470 0.001 0.000 0.302 22 S C 0.030 174.737 174.600 0.179 0.000 1.143 22 S CA -0.833 57.492 58.200 0.210 0.000 1.080 22 S CB -0.648 62.809 63.200 0.429 0.000 1.081 22 S HN 0.318 nan 8.310 nan 0.000 0.522 23 I N 6.416 127.041 120.570 0.092 0.000 2.471 23 I HA 0.211 4.382 4.170 0.001 0.000 0.294 23 I C 0.650 176.842 176.117 0.125 0.000 1.123 23 I CA 0.372 61.715 61.300 0.072 0.000 1.336 23 I CB -1.077 36.907 38.000 -0.027 0.000 1.430 23 I HN 0.726 nan 8.210 nan 0.000 0.533 24 E N 4.149 124.453 120.200 0.174 0.000 2.445 24 E HA 0.412 4.763 4.350 0.001 0.000 0.279 24 E C -1.023 175.679 176.600 0.170 0.000 1.018 24 E CA -1.021 55.479 56.400 0.167 0.000 0.816 24 E CB 1.469 31.282 29.700 0.189 0.000 1.356 24 E HN 0.400 nan 8.360 nan 0.000 0.462 25 E N 1.215 121.503 120.200 0.145 0.000 2.376 25 E HA 0.252 4.602 4.350 0.001 0.000 0.266 25 E C -0.478 176.201 176.600 0.132 0.000 1.009 25 E CA -0.520 55.960 56.400 0.132 0.000 0.902 25 E CB 0.935 30.699 29.700 0.107 0.000 0.972 25 E HN 0.439 nan 8.360 nan 0.000 0.439 26 V N 0.953 120.942 119.914 0.124 0.000 3.001 26 V HA 0.524 4.644 4.120 0.001 0.000 0.314 26 V C -0.812 175.359 176.094 0.128 0.000 1.099 26 V CA -1.053 61.321 62.300 0.122 0.000 0.989 26 V CB 1.866 33.746 31.823 0.095 0.000 1.040 26 V HN 0.696 nan 8.190 nan 0.000 0.434 27 E N 1.654 121.933 120.200 0.132 0.000 2.109 27 E HA 0.586 4.936 4.350 0.001 0.000 0.278 27 E C -1.218 175.465 176.600 0.138 0.000 0.954 27 E CA -0.634 55.827 56.400 0.103 0.000 0.779 27 E CB 2.116 31.859 29.700 0.072 0.000 1.093 27 E HN 0.592 nan 8.360 nan 0.000 0.401 28 V N 3.176 123.154 119.914 0.108 0.000 2.311 28 V HA 0.350 4.471 4.120 0.001 0.000 0.275 28 V C 0.453 176.533 176.094 -0.023 0.000 1.022 28 V CA -0.701 61.645 62.300 0.078 0.000 0.830 28 V CB 0.875 32.794 31.823 0.161 0.000 1.012 28 V HN 0.809 nan 8.190 nan 0.000 0.452 29 A N 8.811 131.597 122.820 -0.058 0.000 2.429 29 A HA 0.525 4.845 4.320 0.001 0.000 0.242 29 A C -1.936 175.609 177.584 -0.066 0.000 1.088 29 A CA -0.805 51.198 52.037 -0.057 0.000 0.784 29 A CB -0.200 18.766 19.000 -0.057 0.000 1.038 29 A HN 0.637 nan 8.150 nan 0.000 0.501 30 P HA 0.201 nan 4.420 nan 0.000 0.272 30 P C -2.708 174.562 177.300 -0.050 0.000 1.223 30 P CA -1.212 61.857 63.100 -0.051 0.000 0.784 30 P CB -0.174 31.499 31.700 -0.045 0.000 0.923 31 P HA 0.142 nan 4.420 nan 0.000 0.271 31 P C -0.033 177.240 177.300 -0.045 0.000 1.220 31 P CA 0.310 63.385 63.100 -0.041 0.000 0.768 31 P CB 0.960 32.644 31.700 -0.028 0.000 0.848 32 K N 1.732 122.105 120.400 -0.046 0.000 2.627 32 K HA 0.510 4.830 4.320 0.001 0.000 0.269 32 K C 0.489 177.057 176.600 -0.054 0.000 1.029 32 K CA -0.792 55.468 56.287 -0.046 0.000 1.026 32 K CB 0.223 32.700 32.500 -0.039 0.000 1.350 32 K HN 0.482 nan 8.250 nan 0.000 0.506 33 A N 1.647 124.433 122.820 -0.057 0.000 2.566 33 A HA -0.037 4.284 4.320 0.001 0.000 0.245 33 A C -0.240 177.329 177.584 -0.025 0.000 1.056 33 A CA 0.377 52.351 52.037 -0.105 0.000 0.757 33 A CB -0.609 18.358 19.000 -0.055 0.000 0.979 33 A HN 0.838 nan 8.150 nan 0.000 0.508 34 H N 0.210 119.264 119.070 -0.027 0.000 2.713 34 H HA -0.134 4.423 4.556 0.001 0.000 0.311 34 H C -0.092 175.216 175.328 -0.033 0.000 1.175 34 H CA 1.638 57.669 56.048 -0.028 0.000 1.143 34 H CB -1.335 28.410 29.762 -0.029 0.000 1.434 34 H HN 0.889 nan 8.280 nan 0.000 0.418 35 E N -0.375 119.845 120.200 0.033 0.000 2.312 35 E HA 0.649 4.999 4.350 0.001 0.000 0.267 35 E C -0.412 176.188 176.600 0.000 0.000 0.894 35 E CA -1.006 55.400 56.400 0.009 0.000 0.773 35 E CB 2.944 32.633 29.700 -0.018 0.000 1.241 35 E HN -0.002 nan 8.360 nan 0.000 0.432 36 V N 1.827 121.743 119.914 0.004 0.000 2.531 36 V HA 0.415 4.535 4.120 0.001 0.000 0.301 36 V C -0.465 175.640 176.094 0.018 0.000 1.034 36 V CA -0.825 61.480 62.300 0.009 0.000 0.865 36 V CB 1.672 33.503 31.823 0.013 0.000 0.995 36 V HN 0.547 nan 8.190 nan 0.000 0.424 37 R N 4.434 124.950 120.500 0.026 0.000 2.207 37 R HA 0.661 5.002 4.340 0.001 0.000 0.334 37 R C -0.998 175.352 176.300 0.084 0.000 1.013 37 R CA -0.273 55.862 56.100 0.059 0.000 0.858 37 R CB 0.604 30.935 30.300 0.053 0.000 1.094 37 R HN 0.725 nan 8.270 nan 0.000 0.457 38 I N 3.686 124.301 120.570 0.076 0.000 2.460 38 I HA 0.270 4.440 4.170 0.001 0.000 0.298 38 I C -0.061 176.003 176.117 -0.089 0.000 0.989 38 I CA -0.866 60.438 61.300 0.007 0.000 1.173 38 I CB 1.903 39.886 38.000 -0.030 0.000 1.338 38 I HN 0.465 nan 8.210 nan 0.000 0.456 39 K N 5.911 126.166 120.400 -0.243 0.000 2.262 39 K HA 0.356 4.677 4.320 0.001 0.000 0.282 39 K C -0.620 175.630 176.600 -0.583 0.000 1.066 39 K CA -0.734 55.132 56.287 -0.702 0.000 0.901 39 K CB 0.861 32.999 32.500 -0.603 0.000 1.089 39 K HN 0.409 nan 8.250 nan 0.000 0.476 40 M N 4.886 124.001 119.600 -0.809 0.000 2.188 40 M HA 0.045 4.526 4.480 0.001 0.000 0.354 40 M C 0.065 175.843 176.300 -0.871 0.000 1.342 40 M CA 0.111 54.867 55.300 -0.907 0.000 1.117 40 M CB 1.358 33.118 32.600 -1.401 0.000 1.670 40 M HN 0.581 nan 8.290 nan 0.000 0.466 41 V N 2.979 122.678 119.914 -0.359 0.000 2.788 41 V HA 0.483 4.603 4.120 0.001 0.000 0.241 41 V C 0.413 176.631 176.094 0.207 0.000 1.083 41 V CA 0.799 63.058 62.300 -0.069 0.000 1.103 41 V CB -0.021 31.772 31.823 -0.050 0.000 0.800 41 V HN 0.876 nan 8.190 nan 0.000 0.476 42 A N -0.803 122.128 122.820 0.186 0.000 2.459 42 A HA 0.693 5.013 4.320 0.001 0.000 0.296 42 A C -0.655 177.085 177.584 0.260 0.000 1.039 42 A CA -0.175 52.016 52.037 0.258 0.000 0.698 42 A CB 1.949 21.023 19.000 0.124 0.000 1.261 42 A HN 0.034 nan 8.150 nan 0.000 0.405 43 T N 1.296 116.049 114.554 0.333 0.000 2.881 43 T HA 0.617 4.967 4.350 0.001 0.000 0.291 43 T C 0.278 175.096 174.700 0.196 0.000 0.990 43 T CA 0.355 62.631 62.100 0.293 0.000 0.976 43 T CB 0.780 69.954 68.868 0.508 0.000 0.970 43 T HN 1.482 nan 8.240 nan 0.000 0.438 44 G N 3.823 112.686 108.800 0.104 0.000 2.444 44 G HA2 0.569 4.529 3.960 0.001 0.000 0.268 44 G HA3 0.569 4.529 3.960 0.001 0.000 0.268 44 G C -0.173 174.751 174.900 0.040 0.000 1.203 44 G CA -0.640 44.485 45.100 0.042 0.000 0.835 44 G HN 0.849 nan 8.290 nan 0.000 0.543 45 I N 1.291 121.832 120.570 -0.048 0.000 2.291 45 I HA 0.159 4.330 4.170 0.001 0.000 0.292 45 I C 0.297 176.321 176.117 -0.154 0.000 1.064 45 I CA -0.320 60.886 61.300 -0.157 0.000 1.269 45 I CB 0.796 38.508 38.000 -0.480 0.000 1.418 45 I HN 0.300 nan 8.210 nan 0.000 0.485 46 C N 6.553 125.807 119.300 -0.075 0.000 2.358 46 C HA 0.351 4.812 4.460 0.001 0.000 0.342 46 C C 1.935 176.925 174.990 0.000 0.000 1.234 46 C CA -0.676 58.328 59.018 -0.023 0.000 1.969 46 C CB 1.258 29.011 27.740 0.022 0.000 2.346 46 C HN 0.942 nan 8.230 nan 0.000 0.525 47 R N 2.483 122.948 120.500 -0.059 0.000 2.170 47 R HA -0.078 4.262 4.340 0.001 0.000 0.242 47 R C 2.003 178.043 176.300 -0.433 0.000 1.145 47 R CA 2.426 58.413 56.100 -0.188 0.000 0.984 47 R CB -0.522 29.671 30.300 -0.179 0.000 0.869 47 R HN 0.830 nan 8.270 nan 0.000 0.455 48 S N 0.622 116.212 115.700 -0.184 0.000 2.368 48 S HA -0.101 4.370 4.470 0.001 0.000 0.224 48 S C 1.234 175.905 174.600 0.119 0.000 1.029 48 S CA 1.302 59.471 58.200 -0.051 0.000 0.988 48 S CB -0.297 62.950 63.200 0.079 0.000 0.838 48 S HN 0.433 nan 8.310 nan 0.000 0.462 49 D N 1.193 121.754 120.400 0.269 0.000 2.149 49 D HA -0.147 4.493 4.640 0.001 0.000 0.198 49 D C 1.614 178.132 176.300 0.364 0.000 0.990 49 D CA 1.283 55.466 54.000 0.304 0.000 0.839 49 D CB -0.437 40.713 40.800 0.584 0.000 0.948 49 D HN 0.410 nan 8.370 nan 0.000 0.460 50 D N -0.500 120.155 120.400 0.425 0.000 2.178 50 D HA -0.157 4.484 4.640 0.001 0.000 0.202 50 D C 1.832 178.257 176.300 0.208 0.000 0.974 50 D CA 0.888 55.129 54.000 0.402 0.000 0.841 50 D CB 0.125 41.128 40.800 0.337 0.000 0.953 50 D HN 0.135 nan 8.370 nan 0.000 0.478 51 H N -0.487 118.672 119.070 0.148 0.000 2.387 51 H HA -0.048 4.508 4.556 0.001 0.000 0.299 51 H C 2.302 177.648 175.328 0.030 0.000 1.090 51 H CA 1.026 57.123 56.048 0.081 0.000 1.332 51 H CB -0.544 29.268 29.762 0.084 0.000 1.386 51 H HN 0.119 nan 8.280 nan 0.000 0.516 52 V N 0.315 120.296 119.914 0.112 0.000 2.287 52 V HA -0.220 3.900 4.120 0.001 0.000 0.248 52 V C 2.726 178.788 176.094 -0.053 0.000 1.053 52 V CA 1.487 63.768 62.300 -0.032 0.000 1.027 52 V CB -0.771 30.897 31.823 -0.257 0.000 0.646 52 V HN 0.190 nan 8.190 nan 0.000 0.447 53 V N 1.165 121.036 119.914 -0.072 0.000 2.261 53 V HA -0.250 3.870 4.120 0.001 0.000 0.246 53 V C 2.678 178.728 176.094 -0.073 0.000 1.047 53 V CA 2.448 64.651 62.300 -0.162 0.000 1.015 53 V CB -1.039 30.630 31.823 -0.257 0.000 0.642 53 V HN 0.755 nan 8.190 nan 0.000 0.446 54 S N 0.116 115.820 115.700 0.006 0.000 2.419 54 S HA 0.060 4.531 4.470 0.001 0.000 0.233 54 S C 1.744 176.354 174.600 0.016 0.000 1.016 54 S CA 1.162 59.377 58.200 0.026 0.000 0.974 54 S CB -0.052 63.198 63.200 0.084 0.000 0.786 54 S HN 1.350 nan 8.310 nan 0.000 0.492 55 G N -0.133 108.680 108.800 0.021 0.000 2.159 55 G HA2 -0.245 3.715 3.960 0.001 0.000 0.227 55 G HA3 -0.245 3.715 3.960 0.001 0.000 0.227 55 G C 0.695 175.599 174.900 0.007 0.000 0.986 55 G CA 0.426 45.532 45.100 0.009 0.000 0.651 55 G HN 0.464 nan 8.290 nan 0.000 0.523 56 T N -0.478 114.082 114.554 0.011 0.000 2.867 56 T HA 0.106 4.457 4.350 0.001 0.000 0.268 56 T C 0.821 175.479 174.700 -0.069 0.000 1.057 56 T CA 1.577 63.632 62.100 -0.075 0.000 1.136 56 T CB 0.100 68.836 68.868 -0.221 0.000 0.874 56 T HN 0.556 nan 8.240 nan 0.000 0.466 57 L N 2.042 123.282 121.223 0.029 0.000 2.342 57 L HA 0.506 4.846 4.340 0.001 0.000 0.276 57 L C -0.869 176.053 176.870 0.087 0.000 0.997 57 L CA -0.695 54.191 54.840 0.077 0.000 0.838 57 L CB 1.332 43.506 42.059 0.190 0.000 1.224 57 L HN -0.185 nan 8.230 nan 0.000 0.416 58 V N 4.176 124.127 119.914 0.062 0.000 2.488 58 V HA 0.536 4.657 4.120 0.001 0.000 0.277 58 V C 0.378 176.522 176.094 0.084 0.000 1.046 58 V CA 0.029 62.360 62.300 0.052 0.000 0.986 58 V CB 1.116 32.954 31.823 0.024 0.000 0.989 58 V HN 0.865 nan 8.190 nan 0.000 0.475 59 T N 6.419 121.020 114.554 0.078 0.000 3.193 59 T HA 0.411 4.761 4.350 0.001 0.000 0.332 59 T C -2.967 171.730 174.700 -0.006 0.000 1.208 59 T CA -1.234 60.926 62.100 0.100 0.000 1.080 59 T CB 1.914 70.971 68.868 0.315 0.000 1.180 59 T HN 0.417 nan 8.240 nan 0.000 0.469 60 P HA 0.129 nan 4.420 nan 0.000 0.257 60 P C -1.044 176.106 177.300 -0.249 0.000 1.162 60 P CA -0.088 62.795 63.100 -0.362 0.000 0.762 60 P CB 0.180 31.339 31.700 -0.902 0.000 0.753 61 L N 6.901 128.079 121.223 -0.074 0.000 2.331 61 L HA 0.551 4.891 4.340 0.001 0.000 0.275 61 L C -1.804 175.164 176.870 0.163 0.000 1.022 61 L CA -1.875 52.990 54.840 0.042 0.000 0.812 61 L CB 0.601 42.667 42.059 0.012 0.000 1.257 61 L HN 0.319 nan 8.230 nan 0.000 0.435 62 P HA 0.286 nan 4.420 nan 0.000 0.274 62 P C -1.160 176.134 177.300 -0.010 0.000 1.231 62 P CA -0.190 62.873 63.100 -0.062 0.000 0.790 62 P CB 1.993 33.489 31.700 -0.340 0.000 0.951 63 V N 2.828 122.686 119.914 -0.093 0.000 3.147 63 V HA 0.412 4.532 4.120 0.001 0.000 0.306 63 V C -0.943 175.106 176.094 -0.074 0.000 1.209 63 V CA -1.096 61.200 62.300 -0.007 0.000 1.023 63 V CB 2.331 34.216 31.823 0.104 0.000 1.059 63 V HN 0.373 nan 8.190 nan 0.000 0.435 64 I N 5.265 125.777 120.570 -0.096 0.000 2.310 64 I HA 0.530 4.700 4.170 0.001 0.000 0.287 64 I C 0.893 177.031 176.117 0.036 0.000 1.073 64 I CA -0.023 61.203 61.300 -0.125 0.000 1.216 64 I CB 1.093 38.770 38.000 -0.539 0.000 1.415 64 I HN 0.855 nan 8.210 nan 0.000 0.480 65 A N 4.842 127.739 122.820 0.130 0.000 2.251 65 A HA 0.756 5.076 4.320 0.001 0.000 0.277 65 A C 0.706 178.083 177.584 -0.345 0.000 1.313 65 A CA 0.409 52.432 52.037 -0.023 0.000 0.813 65 A CB -0.213 18.781 19.000 -0.009 0.000 1.210 65 A HN 0.967 nan 8.150 nan 0.000 0.509 66 G N -2.053 106.296 108.800 -0.751 0.000 3.209 66 G HA2 0.230 4.190 3.960 0.001 0.000 0.686 66 G HA3 0.230 4.190 3.960 0.001 0.000 0.686 66 G C -0.237 174.557 174.900 -0.177 0.000 1.065 66 G CA 0.413 44.731 45.100 -1.304 0.000 0.812 66 G HN 2.155 nan 8.290 nan 0.000 0.573 67 H N 0.012 118.994 119.070 -0.146 0.000 3.838 67 H HA 0.261 4.818 4.556 0.001 0.000 0.255 67 H C 0.380 175.741 175.328 0.055 0.000 1.074 67 H CA 0.474 56.526 56.048 0.008 0.000 1.143 67 H CB 0.763 30.512 29.762 -0.022 0.000 1.479 67 H HN 0.578 nan 8.280 nan 0.000 0.644 68 E N 1.783 121.708 120.200 -0.459 0.000 1.993 68 E HA 0.578 4.928 4.350 0.001 0.000 0.271 68 E C -0.895 175.684 176.600 -0.035 0.000 1.008 68 E CA -0.304 55.996 56.400 -0.166 0.000 0.814 68 E CB 0.380 29.933 29.700 -0.244 0.000 1.098 68 E HN 0.522 nan 8.360 nan 0.000 0.407 69 A N 2.792 125.631 122.820 0.031 0.000 2.557 69 A HA 0.889 5.209 4.320 0.001 0.000 0.292 69 A C -1.635 175.970 177.584 0.035 0.000 1.139 69 A CA -0.198 51.867 52.037 0.047 0.000 0.665 69 A CB 1.490 20.519 19.000 0.049 0.000 1.285 69 A HN 0.568 nan 8.150 nan 0.000 0.433 70 A N -1.243 121.587 122.820 0.018 0.000 2.572 70 A HA 0.977 5.298 4.320 0.001 0.000 0.295 70 A C -0.073 177.482 177.584 -0.049 0.000 1.072 70 A CA 0.108 52.143 52.037 -0.003 0.000 0.691 70 A CB 1.397 20.403 19.000 0.010 0.000 1.291 70 A HN 2.585 nan 8.150 nan 0.000 0.404 71 G N -0.552 108.210 108.800 -0.062 0.000 2.650 71 G HA2 0.591 4.552 3.960 0.001 0.000 0.310 71 G HA3 0.591 4.552 3.960 0.001 0.000 0.310 71 G C -1.732 173.120 174.900 -0.081 0.000 1.270 71 G CA -0.471 44.561 45.100 -0.114 0.000 0.810 71 G HN 0.805 nan 8.290 nan 0.000 0.493 72 I N 0.424 120.933 120.570 -0.101 0.000 2.545 72 I HA 0.362 4.533 4.170 0.001 0.000 0.292 72 I C -0.104 175.988 176.117 -0.042 0.000 1.040 72 I CA -1.059 60.207 61.300 -0.058 0.000 1.068 72 I CB 2.427 40.395 38.000 -0.053 0.000 1.251 72 I HN 0.177 nan 8.210 nan 0.000 0.424 73 V N 5.857 125.763 119.914 -0.014 0.000 2.529 73 V HA -0.026 4.094 4.120 0.001 0.000 0.292 73 V C 1.231 177.340 176.094 0.025 0.000 1.028 73 V CA 0.398 62.701 62.300 0.005 0.000 1.074 73 V CB 0.805 32.633 31.823 0.007 0.000 0.958 73 V HN 0.856 nan 8.190 nan 0.000 0.481 74 E N 3.574 123.809 120.200 0.057 0.000 2.057 74 E HA 0.009 4.359 4.350 0.001 0.000 0.190 74 E C 0.693 177.323 176.600 0.050 0.000 0.969 74 E CA 1.155 57.611 56.400 0.094 0.000 0.812 74 E CB 0.730 30.554 29.700 0.207 0.000 0.777 74 E HN 0.824 nan 8.360 nan 0.000 0.455 75 S N -0.078 115.644 115.700 0.036 0.000 2.565 75 S HA 0.553 5.023 4.470 0.001 0.000 0.269 75 S C -0.374 174.228 174.600 0.004 0.000 1.153 75 S CA -0.956 57.251 58.200 0.012 0.000 0.835 75 S CB 1.119 64.318 63.200 -0.000 0.000 1.122 75 S HN 0.276 nan 8.310 nan 0.000 0.462 76 I N -0.368 120.197 120.570 -0.008 0.000 2.530 76 I HA 0.904 5.075 4.170 0.001 0.000 0.297 76 I C 0.476 176.572 176.117 -0.035 0.000 1.011 76 I CA -1.004 60.287 61.300 -0.016 0.000 1.107 76 I CB 1.446 39.438 38.000 -0.013 0.000 1.285 76 I HN 0.850 nan 8.210 nan 0.000 0.436 77 G N 3.578 112.350 108.800 -0.045 0.000 2.621 77 G HA2 0.237 4.197 3.960 0.001 0.000 0.271 77 G HA3 0.237 4.197 3.960 0.001 0.000 0.271 77 G C -0.468 174.363 174.900 -0.116 0.000 1.236 77 G CA -0.656 44.402 45.100 -0.071 0.000 0.958 77 G HN 0.809 nan 8.290 nan 0.000 0.512 78 E N -0.313 119.803 120.200 -0.140 0.000 2.351 78 E HA 0.375 4.725 4.350 0.001 0.000 0.266 78 E C 0.978 177.360 176.600 -0.364 0.000 1.031 78 E CA 0.997 57.289 56.400 -0.180 0.000 0.911 78 E CB 0.606 30.227 29.700 -0.132 0.000 0.986 78 E HN 0.878 nan 8.360 nan 0.000 0.446 79 G N 2.136 110.739 108.800 -0.329 0.000 2.211 79 G HA2 -0.244 3.716 3.960 0.001 0.000 0.201 79 G HA3 -0.244 3.716 3.960 0.001 0.000 0.201 79 G C 0.268 175.040 174.900 -0.214 0.000 0.997 79 G CA -0.242 44.571 45.100 -0.478 0.000 0.652 79 G HN 0.435 nan 8.290 nan 0.000 0.500 80 V N 2.230 122.072 119.914 -0.120 0.000 2.572 80 V HA 0.482 4.603 4.120 0.001 0.000 0.291 80 V C 1.609 177.722 176.094 0.031 0.000 1.039 80 V CA 1.392 63.711 62.300 0.031 0.000 1.055 80 V CB 1.109 32.937 31.823 0.008 0.000 0.969 80 V HN 0.759 nan 8.190 nan 0.000 0.482 81 T N -0.662 113.927 114.554 0.058 0.000 3.075 81 T HA -0.064 4.287 4.350 0.001 0.000 0.251 81 T C 1.779 176.495 174.700 0.027 0.000 0.979 81 T CA 0.653 62.775 62.100 0.037 0.000 1.033 81 T CB -0.191 68.704 68.868 0.044 0.000 1.104 81 T HN 0.670 nan 8.240 nan 0.000 0.473 82 T N 2.549 117.121 114.554 0.030 0.000 2.652 82 T HA 0.014 4.365 4.350 0.001 0.000 0.267 82 T C 1.114 175.823 174.700 0.016 0.000 1.039 82 T CA 1.287 63.400 62.100 0.021 0.000 1.153 82 T CB -1.354 67.525 68.868 0.019 0.000 0.863 82 T HN 0.683 nan 8.240 nan 0.000 0.428 83 V N -0.895 119.029 119.914 0.017 0.000 2.966 83 V HA 0.806 4.927 4.120 0.001 0.000 0.317 83 V C -0.398 175.702 176.094 0.009 0.000 1.070 83 V CA -1.622 60.685 62.300 0.012 0.000 1.008 83 V CB 1.382 33.211 31.823 0.011 0.000 1.070 83 V HN 0.427 nan 8.190 nan 0.000 0.457 84 R N 1.118 121.622 120.500 0.007 0.000 2.740 84 R HA 0.514 4.854 4.340 0.001 0.000 0.273 84 R C -3.063 173.240 176.300 0.005 0.000 0.998 84 R CA -1.999 54.103 56.100 0.004 0.000 0.900 84 R CB 2.193 32.495 30.300 0.004 0.000 1.223 84 R HN 0.460 nan 8.270 nan 0.000 0.466 85 P HA -0.038 nan 4.420 nan 0.000 0.261 85 P C 0.551 177.856 177.300 0.008 0.000 1.183 85 P CA 1.393 64.498 63.100 0.009 0.000 0.761 85 P CB 0.503 32.208 31.700 0.008 0.000 0.785 86 G N 2.197 111.002 108.800 0.008 0.000 2.232 86 G HA2 -0.181 3.779 3.960 0.001 0.000 0.226 86 G HA3 -0.181 3.779 3.960 0.001 0.000 0.226 86 G C -0.047 174.853 174.900 0.001 0.000 0.996 86 G CA -0.396 44.707 45.100 0.005 0.000 0.626 86 G HN 0.486 nan 8.290 nan 0.000 0.509 87 D N 1.634 122.035 120.400 0.001 0.000 2.414 87 D HA 0.377 5.017 4.640 0.001 0.000 0.242 87 D C 0.690 176.988 176.300 -0.003 0.000 1.129 87 D CA 0.307 54.307 54.000 0.001 0.000 0.885 87 D CB 0.717 41.519 40.800 0.003 0.000 1.198 87 D HN 0.306 nan 8.370 nan 0.000 0.437 88 K N 1.161 121.560 120.400 -0.002 0.000 2.339 88 K HA 0.324 4.645 4.320 0.001 0.000 0.286 88 K C -0.104 176.495 176.600 -0.001 0.000 1.050 88 K CA -0.488 55.796 56.287 -0.004 0.000 0.956 88 K CB 0.945 33.446 32.500 0.002 0.000 0.990 88 K HN 0.270 nan 8.250 nan 0.000 0.475 89 V N 0.516 120.426 119.914 -0.007 0.000 3.102 89 V HA 0.649 4.769 4.120 0.001 0.000 0.312 89 V C -0.522 175.572 176.094 0.000 0.000 1.135 89 V CA -1.119 61.180 62.300 -0.001 0.000 1.022 89 V CB 1.941 33.761 31.823 -0.004 0.000 1.056 89 V HN 0.621 nan 8.190 nan 0.000 0.436 90 I N 2.123 122.699 120.570 0.010 0.000 2.478 90 I HA 0.491 4.662 4.170 0.001 0.000 0.287 90 I C -2.753 173.370 176.117 0.010 0.000 1.042 90 I CA -2.031 59.280 61.300 0.019 0.000 1.067 90 I CB 3.020 41.045 38.000 0.043 0.000 1.233 90 I HN 0.495 nan 8.210 nan 0.000 0.431 91 P HA 0.248 nan 4.420 nan 0.000 0.276 91 P C -1.109 176.180 177.300 -0.017 0.000 1.235 91 P CA -0.105 62.999 63.100 0.008 0.000 0.772 91 P CB 0.532 32.253 31.700 0.034 0.000 0.871 92 L N 4.472 125.644 121.223 -0.085 0.000 2.262 92 L HA 0.380 4.721 4.340 0.001 0.000 0.288 92 L C 1.423 178.154 176.870 -0.232 0.000 1.035 92 L CA -0.578 54.105 54.840 -0.262 0.000 0.820 92 L CB 0.334 42.214 42.059 -0.299 0.000 1.204 92 L HN 0.429 nan 8.230 nan 0.000 0.424 93 F N -0.065 119.744 119.950 -0.235 0.000 2.216 93 F HA 0.004 4.531 4.527 0.001 0.000 0.300 93 F C 0.897 176.588 175.800 -0.182 0.000 1.085 93 F CA 0.108 57.993 58.000 -0.191 0.000 1.326 93 F CB -0.625 38.265 39.000 -0.185 0.000 1.027 93 F HN 0.295 nan 8.300 nan 0.000 0.497 94 T N 3.853 117.978 114.554 -0.716 0.000 2.743 94 T HA 0.370 4.721 4.350 0.001 0.000 0.292 94 T C -2.425 172.100 174.700 -0.292 0.000 0.972 94 T CA -1.414 60.456 62.100 -0.383 0.000 0.967 94 T CB 1.486 70.104 68.868 -0.416 0.000 0.926 94 T HN -0.117 nan 8.240 nan 0.000 0.459 95 P HA 0.241 nan 4.420 nan 0.000 0.275 95 P C -0.469 176.774 177.300 -0.095 0.000 1.266 95 P CA -0.532 62.491 63.100 -0.128 0.000 0.793 95 P CB 0.534 32.169 31.700 -0.109 0.000 1.074 96 Q N 0.168 119.927 119.800 -0.069 0.000 3.662 96 Q HA 0.169 4.510 4.340 0.001 0.000 0.237 96 Q C 0.451 176.427 176.000 -0.040 0.000 0.895 96 Q CA -0.241 55.540 55.803 -0.037 0.000 0.767 96 Q CB -0.526 28.208 28.738 -0.007 0.000 1.469 96 Q HN 0.644 nan 8.270 nan 0.000 0.424 97 C N -0.552 118.715 119.300 -0.055 0.000 2.400 97 C HA 0.132 4.592 4.460 0.001 0.000 0.291 97 C C 1.873 176.835 174.990 -0.047 0.000 1.372 97 C CA 0.835 59.817 59.018 -0.060 0.000 1.800 97 C CB -1.378 26.319 27.740 -0.071 0.000 1.869 97 C HN 0.991 nan 8.230 nan 0.000 0.533 98 G N 1.006 109.789 108.800 -0.029 0.000 2.412 98 G HA2 -0.404 3.557 3.960 0.001 0.000 0.252 98 G HA3 -0.404 3.557 3.960 0.001 0.000 0.252 98 G C 1.071 175.960 174.900 -0.018 0.000 1.038 98 G CA 1.079 46.169 45.100 -0.017 0.000 0.628 98 G HN 0.640 nan 8.290 nan 0.000 0.531 99 K N 0.189 120.571 120.400 -0.030 0.000 2.166 99 K HA 0.226 4.547 4.320 0.001 0.000 0.201 99 K C 1.982 178.567 176.600 -0.024 0.000 1.052 99 K CA 0.697 56.966 56.287 -0.029 0.000 0.969 99 K CB -0.145 32.330 32.500 -0.042 0.000 0.761 99 K HN 0.800 nan 8.250 nan 0.000 0.459 100 C N 1.425 120.706 119.300 -0.031 0.000 2.679 100 C HA 0.216 4.676 4.460 0.001 0.000 0.417 100 C C 1.879 176.863 174.990 -0.011 0.000 1.302 100 C CA -0.967 58.032 59.018 -0.031 0.000 1.973 100 C CB 0.709 28.417 27.740 -0.052 0.000 2.715 100 C HN 0.563 nan 8.230 nan 0.000 0.628 101 R N 1.538 122.032 120.500 -0.009 0.000 2.159 101 R HA -0.162 4.179 4.340 0.001 0.000 0.252 101 R C 1.714 178.036 176.300 0.037 0.000 1.144 101 R CA 2.779 58.886 56.100 0.011 0.000 0.961 101 R CB -0.525 29.772 30.300 -0.005 0.000 0.877 101 R HN 0.822 nan 8.270 nan 0.000 0.444 102 V N 0.206 120.127 119.914 0.012 0.000 2.295 102 V HA -0.323 3.798 4.120 0.001 0.000 0.246 102 V C 2.643 178.786 176.094 0.083 0.000 1.049 102 V CA 1.961 64.280 62.300 0.032 0.000 1.024 102 V CB -0.576 31.243 31.823 -0.007 0.000 0.648 102 V HN 0.563 nan 8.190 nan 0.000 0.447 103 C N -0.142 119.185 119.300 0.045 0.000 2.425 103 C HA -0.138 4.323 4.460 0.001 0.000 0.277 103 C C 2.673 177.698 174.990 0.058 0.000 1.280 103 C CA 0.827 59.874 59.018 0.048 0.000 1.744 103 C CB -1.054 26.696 27.740 0.016 0.000 1.989 103 C HN 0.531 nan 8.230 nan 0.000 0.491 104 K N -0.490 119.943 120.400 0.055 0.000 2.365 104 K HA -0.071 4.249 4.320 0.001 0.000 0.199 104 K C 0.958 177.598 176.600 0.066 0.000 1.045 104 K CA 0.299 56.614 56.287 0.047 0.000 0.962 104 K CB -0.207 32.314 32.500 0.035 0.000 0.759 104 K HN 0.653 nan 8.250 nan 0.000 0.469 105 H N 2.375 121.451 119.070 0.010 0.000 2.848 105 H HA 0.020 4.576 4.556 0.001 0.000 0.317 105 H C -1.733 173.606 175.328 0.018 0.000 1.046 105 H CA -1.465 54.591 56.048 0.013 0.000 1.470 105 H CB 1.332 31.104 29.762 0.015 0.000 1.483 105 H HN -0.061 nan 8.280 nan 0.000 0.548 106 P HA -0.155 nan 4.420 nan 0.000 0.222 106 P C 0.303 177.540 177.300 -0.104 0.000 1.142 106 P CA 1.360 64.328 63.100 -0.220 0.000 0.788 106 P CB 0.411 31.956 31.700 -0.258 0.000 0.767 107 E N -1.288 118.897 120.200 -0.024 0.000 2.536 107 E HA 0.157 4.507 4.350 0.001 0.000 0.220 107 E C 1.207 177.964 176.600 0.262 0.000 0.876 107 E CA -0.164 56.333 56.400 0.160 0.000 1.190 107 E CB 0.369 30.172 29.700 0.171 0.000 1.191 107 E HN 0.127 nan 8.360 nan 0.000 0.557 108 G N 2.168 111.234 108.800 0.444 0.000 2.441 108 G HA2 0.003 3.963 3.960 0.001 0.000 0.243 108 G HA3 0.003 3.963 3.960 0.001 0.000 0.243 108 G C 0.534 175.524 174.900 0.151 0.000 1.281 108 G CA -0.018 45.205 45.100 0.204 0.000 0.854 108 G HN 0.178 nan 8.290 nan 0.000 0.560 109 N N 1.025 119.810 118.700 0.142 0.000 2.372 109 N HA -0.012 4.729 4.740 0.001 0.000 0.242 109 N C 0.365 175.994 175.510 0.198 0.000 1.124 109 N CA -0.349 52.797 53.050 0.159 0.000 0.824 109 N CB 0.106 38.694 38.487 0.169 0.000 1.468 109 N HN 0.316 nan 8.380 nan 0.000 0.470 110 F N 4.091 124.054 119.950 0.021 0.000 2.636 110 F HA 0.197 4.725 4.527 0.001 0.000 0.338 110 F C 0.585 176.377 175.800 -0.012 0.000 1.305 110 F CA -1.300 56.703 58.000 0.004 0.000 1.138 110 F CB -1.235 37.766 39.000 0.002 0.000 1.579 110 F HN 0.147 nan 8.300 nan 0.000 0.679 111 C N 6.299 125.551 119.300 -0.080 0.000 2.538 111 C HA -0.027 4.433 4.460 0.001 0.000 0.408 111 C C 2.129 176.909 174.990 -0.350 0.000 1.421 111 C CA -0.419 58.500 59.018 -0.165 0.000 1.642 111 C CB -0.863 26.809 27.740 -0.113 0.000 2.553 111 C HN 0.888 nan 8.230 nan 0.000 0.604 112 L N 4.330 125.397 121.223 -0.260 0.000 2.349 112 L HA -0.084 4.257 4.340 0.001 0.000 0.220 112 L C 2.140 178.865 176.870 -0.242 0.000 1.130 112 L CA 1.161 55.839 54.840 -0.271 0.000 0.791 112 L CB -0.454 41.509 42.059 -0.161 0.000 0.918 112 L HN 0.694 nan 8.230 nan 0.000 0.444 113 K N 0.864 121.142 120.400 -0.202 0.000 2.522 113 K HA 0.038 4.358 4.320 0.001 0.000 0.194 113 K C 0.241 176.738 176.600 -0.171 0.000 1.026 113 K CA -0.090 56.103 56.287 -0.157 0.000 1.119 113 K CB -0.821 31.608 32.500 -0.119 0.000 0.856 113 K HN 0.525 nan 8.250 nan 0.000 0.513 114 N N 0.184 118.729 118.700 -0.259 0.000 2.371 114 N HA -0.071 4.670 4.740 0.001 0.000 0.243 114 N C -0.018 175.412 175.510 -0.132 0.000 1.287 114 N CA -0.036 52.884 53.050 -0.217 0.000 0.911 114 N CB 0.615 38.863 38.487 -0.399 0.000 1.142 114 N HN -0.190 nan 8.380 nan 0.000 0.451 115 D N -0.358 120.006 120.400 -0.060 0.000 2.538 115 D HA 0.140 4.780 4.640 0.001 0.000 0.231 115 D C 0.330 176.628 176.300 -0.003 0.000 1.229 115 D CA -0.277 53.700 54.000 -0.037 0.000 0.828 115 D CB 0.058 40.833 40.800 -0.042 0.000 1.035 115 D HN 0.508 nan 8.370 nan 0.000 0.495 116 L N -0.513 120.752 121.223 0.070 0.000 2.286 116 L HA 0.213 4.554 4.340 0.001 0.000 0.203 116 L C 1.926 178.884 176.870 0.147 0.000 1.068 116 L CA 1.203 56.119 54.840 0.128 0.000 0.811 116 L CB -0.481 41.730 42.059 0.253 0.000 0.989 116 L HN -0.057 nan 8.230 nan 0.000 0.467 117 S N 0.092 115.909 115.700 0.196 0.000 2.351 117 S HA -0.053 4.417 4.470 0.001 0.000 0.220 117 S C 0.956 175.595 174.600 0.065 0.000 1.035 117 S CA 1.297 59.586 58.200 0.147 0.000 1.031 117 S CB -0.260 63.012 63.200 0.119 0.000 0.928 117 S HN 0.279 nan 8.310 nan 0.000 0.433 118 M N 1.676 121.295 119.600 0.033 0.000 2.066 118 M HA 0.363 4.844 4.480 0.001 0.000 0.264 118 M C -3.111 173.196 176.300 0.013 0.000 0.886 118 M CA -2.179 53.131 55.300 0.017 0.000 0.810 118 M CB 0.652 33.255 32.600 0.003 0.000 1.451 118 M HN -0.114 nan 8.290 nan 0.000 0.373 119 P HA 0.143 nan 4.420 nan 0.000 0.261 119 P C 0.512 177.817 177.300 0.009 0.000 1.203 119 P CA 0.323 63.436 63.100 0.021 0.000 0.767 119 P CB 0.573 32.298 31.700 0.042 0.000 0.785 120 R N 2.772 123.285 120.500 0.021 0.000 2.206 120 R HA 0.157 4.498 4.340 0.001 0.000 0.198 120 R C 1.178 177.531 176.300 0.088 0.000 0.986 120 R CA 0.555 56.679 56.100 0.040 0.000 1.029 120 R CB -0.025 30.304 30.300 0.048 0.000 0.966 120 R HN 0.722 nan 8.270 nan 0.000 0.487 121 G N 2.305 111.171 108.800 0.110 0.000 2.272 121 G HA2 -0.283 3.678 3.960 0.001 0.000 0.280 121 G HA3 -0.283 3.678 3.960 0.001 0.000 0.280 121 G C 0.100 175.235 174.900 0.393 0.000 1.067 121 G CA 0.782 46.024 45.100 0.238 0.000 0.902 121 G HN 0.474 nan 8.290 nan 0.000 0.500 122 T N -3.950 110.723 114.554 0.197 0.000 2.654 122 T HA 0.810 5.160 4.350 0.001 0.000 0.289 122 T C 0.448 175.022 174.700 -0.211 0.000 1.062 122 T CA -1.099 61.040 62.100 0.065 0.000 1.041 122 T CB 1.537 70.445 68.868 0.067 0.000 1.417 122 T HN 0.113 nan 8.240 nan 0.000 0.510 123 M N 1.155 120.557 119.600 -0.331 0.000 2.159 123 M HA 0.342 4.823 4.480 0.001 0.000 0.293 123 M C 1.702 177.912 176.300 -0.149 0.000 1.186 123 M CA -0.487 54.622 55.300 -0.318 0.000 1.073 123 M CB 0.534 32.957 32.600 -0.295 0.000 1.419 123 M HN 0.718 nan 8.290 nan 0.000 0.490 124 Q N 1.041 120.770 119.800 -0.117 0.000 2.181 124 Q HA -0.178 4.162 4.340 0.001 0.000 0.205 124 Q C 1.001 176.965 176.000 -0.061 0.000 0.980 124 Q CA 1.701 57.456 55.803 -0.079 0.000 0.862 124 Q CB -0.386 28.310 28.738 -0.070 0.000 0.905 124 Q HN 0.697 nan 8.270 nan 0.000 0.429 125 D N -1.532 118.832 120.400 -0.061 0.000 2.349 125 D HA 0.009 4.650 4.640 0.001 0.000 0.224 125 D C 1.086 177.366 176.300 -0.034 0.000 1.029 125 D CA 0.881 54.856 54.000 -0.041 0.000 0.879 125 D CB -0.125 40.654 40.800 -0.036 0.000 0.906 125 D HN 0.289 nan 8.370 nan 0.000 0.528 126 G N 0.179 108.955 108.800 -0.039 0.000 2.179 126 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 126 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 126 G C 0.531 175.430 174.900 -0.001 0.000 0.977 126 G CA 0.819 45.911 45.100 -0.013 0.000 0.641 126 G HN 0.805 nan 8.290 nan 0.000 0.533 127 T N -2.553 111.987 114.554 -0.025 0.000 2.889 127 T HA 0.796 5.146 4.350 0.001 0.000 0.278 127 T C 0.154 174.848 174.700 -0.011 0.000 0.995 127 T CA 0.359 62.453 62.100 -0.010 0.000 0.966 127 T CB 2.180 71.038 68.868 -0.017 0.000 1.237 127 T HN 1.017 nan 8.240 nan 0.000 0.591 128 S N -1.483 114.241 115.700 0.039 0.000 2.671 128 S HA 0.597 5.067 4.470 0.001 0.000 0.299 128 S C -0.019 174.634 174.600 0.088 0.000 1.116 128 S CA -0.945 57.362 58.200 0.177 0.000 0.912 128 S CB 1.333 64.662 63.200 0.215 0.000 1.130 128 S HN 0.654 nan 8.310 nan 0.000 0.501 129 R N 0.709 121.249 120.500 0.066 0.000 2.535 129 R HA 0.277 4.618 4.340 0.001 0.000 0.323 129 R C -1.255 174.826 176.300 -0.364 0.000 0.979 129 R CA 0.114 56.082 56.100 -0.219 0.000 1.120 129 R CB -0.099 30.000 30.300 -0.336 0.000 1.306 129 R HN 0.453 nan 8.270 nan 0.000 0.540 130 F N 0.655 120.601 119.950 -0.007 0.000 2.458 130 F HA 0.474 5.001 4.527 0.001 0.000 0.336 130 F C 0.401 176.169 175.800 -0.054 0.000 1.114 130 F CA -0.663 57.287 58.000 -0.084 0.000 0.987 130 F CB 2.021 40.885 39.000 -0.228 0.000 1.130 130 F HN -0.299 nan 8.300 nan 0.000 0.458 131 T N 1.402 116.070 114.554 0.190 0.000 2.912 131 T HA 0.524 4.875 4.350 0.001 0.000 0.299 131 T C -1.588 173.181 174.700 0.114 0.000 1.052 131 T CA -0.725 61.442 62.100 0.112 0.000 0.996 131 T CB 1.800 70.721 68.868 0.088 0.000 1.070 131 T HN 0.729 nan 8.240 nan 0.000 0.465 132 C N 3.420 122.794 119.300 0.124 0.000 2.607 132 C HA 0.586 5.047 4.460 0.001 0.000 0.350 132 C C 0.479 175.632 174.990 0.272 0.000 1.101 132 C CA -0.483 58.649 59.018 0.190 0.000 1.282 132 C CB -0.338 27.509 27.740 0.179 0.000 1.825 132 C HN 1.077 nan 8.230 nan 0.000 0.460 133 R N 3.855 124.479 120.500 0.206 0.000 3.770 133 R HA -0.196 4.144 4.340 0.001 0.000 0.305 133 R C 1.217 177.594 176.300 0.128 0.000 1.184 133 R CA 1.165 57.359 56.100 0.157 0.000 0.823 133 R CB -2.034 28.364 30.300 0.163 0.000 1.285 133 R HN 2.035 nan 8.270 nan 0.000 0.499 134 G N -0.240 108.630 108.800 0.116 0.000 2.304 134 G HA2 -0.399 3.562 3.960 0.001 0.000 0.252 134 G HA3 -0.399 3.562 3.960 0.001 0.000 0.252 134 G C 0.137 175.095 174.900 0.098 0.000 1.014 134 G CA 0.845 45.998 45.100 0.089 0.000 0.619 134 G HN 0.375 nan 8.290 nan 0.000 0.525 135 K N 1.768 122.255 120.400 0.145 0.000 2.276 135 K HA 0.462 4.783 4.320 0.001 0.000 0.283 135 K C -2.588 174.072 176.600 0.100 0.000 1.044 135 K CA -1.669 54.707 56.287 0.149 0.000 0.944 135 K CB 1.087 33.747 32.500 0.267 0.000 1.012 135 K HN 0.098 nan 8.250 nan 0.000 0.472 136 P HA 0.111 nan 4.420 nan 0.000 0.276 136 P C -0.635 176.622 177.300 -0.070 0.000 1.230 136 P CA -0.059 63.039 63.100 -0.003 0.000 0.776 136 P CB 0.583 32.265 31.700 -0.030 0.000 0.888 137 I N 2.913 123.446 120.570 -0.062 0.000 2.493 137 I HA 0.306 4.476 4.170 0.001 0.000 0.298 137 I C 0.926 177.012 176.117 -0.051 0.000 0.998 137 I CA -0.679 60.548 61.300 -0.121 0.000 1.137 137 I CB 1.094 38.989 38.000 -0.176 0.000 1.310 137 I HN 0.466 nan 8.210 nan 0.000 0.445 138 H N 3.920 123.023 119.070 0.055 0.000 2.639 138 H HA 0.288 4.845 4.556 0.001 0.000 0.373 138 H C -0.102 175.344 175.328 0.196 0.000 1.372 138 H CA 0.245 56.395 56.048 0.171 0.000 1.448 138 H CB 0.630 30.478 29.762 0.143 0.000 1.544 138 H HN 0.420 nan 8.280 nan 0.000 0.615 139 H N -0.038 119.265 119.070 0.389 0.000 2.573 139 H HA 0.169 4.726 4.556 0.001 0.000 0.351 139 H C -1.029 174.498 175.328 0.331 0.000 1.163 139 H CA -0.641 55.629 56.048 0.370 0.000 1.205 139 H CB 1.759 31.705 29.762 0.307 0.000 1.605 139 H HN 0.335 nan 8.280 nan 0.000 0.525 140 F N 2.830 122.926 119.950 0.244 0.000 2.402 140 F HA 0.203 4.730 4.527 0.001 0.000 0.355 140 F C 0.536 176.420 175.800 0.140 0.000 1.123 140 F CA -0.853 57.233 58.000 0.144 0.000 1.021 140 F CB 0.143 39.194 39.000 0.086 0.000 1.160 140 F HN 0.605 nan 8.300 nan 0.000 0.451 141 L N 6.152 127.134 121.223 -0.401 0.000 3.970 141 L HA -0.325 4.016 4.340 0.001 0.000 0.425 141 L C 1.246 178.061 176.870 -0.090 0.000 1.162 141 L CA 0.917 55.546 54.840 -0.353 0.000 0.968 141 L CB -2.039 39.637 42.059 -0.639 0.000 1.896 141 L HN 1.173 nan 8.230 nan 0.000 1.006 142 G N -1.383 107.430 108.800 0.023 0.000 2.168 142 G HA2 -0.389 3.571 3.960 0.001 0.000 0.263 142 G HA3 -0.389 3.571 3.960 0.001 0.000 0.263 142 G C 0.690 175.659 174.900 0.115 0.000 0.977 142 G CA 1.426 46.556 45.100 0.050 0.000 0.659 142 G HN 0.592 nan 8.290 nan 0.000 0.533 143 T N -3.494 111.153 114.554 0.155 0.000 3.111 143 T HA 0.431 4.782 4.350 0.001 0.000 0.236 143 T C 1.334 176.181 174.700 0.245 0.000 0.984 143 T CA 1.091 63.294 62.100 0.172 0.000 1.195 143 T CB -0.032 68.924 68.868 0.147 0.000 0.929 143 T HN 1.311 nan 8.240 nan 0.000 0.431 144 S N 1.898 117.749 115.700 0.251 0.000 3.572 144 S HA -0.152 4.318 4.470 0.001 0.000 0.394 144 S C 1.053 175.707 174.600 0.091 0.000 0.923 144 S CA 0.693 59.004 58.200 0.185 0.000 1.291 144 S CB -2.034 61.331 63.200 0.275 0.000 0.914 144 S HN 1.008 nan 8.310 nan 0.000 0.545 145 T N -2.626 111.935 114.554 0.011 0.000 3.088 145 T HA 0.132 4.483 4.350 0.001 0.000 0.259 145 T C 0.554 175.372 174.700 0.198 0.000 1.122 145 T CA 0.251 62.365 62.100 0.024 0.000 1.095 145 T CB -0.260 68.604 68.868 -0.007 0.000 0.930 145 T HN 0.348 nan 8.240 nan 0.000 0.508 146 F N 2.974 123.015 119.950 0.152 0.000 2.668 146 F HA 0.657 5.185 4.527 0.001 0.000 0.365 146 F C 0.822 176.733 175.800 0.184 0.000 1.165 146 F CA -1.323 56.842 58.000 0.275 0.000 1.344 146 F CB -1.408 37.673 39.000 0.134 0.000 1.658 146 F HN 0.173 nan 8.300 nan 0.000 0.620 147 S N -0.518 115.267 115.700 0.142 0.000 2.552 147 S HA 0.258 4.729 4.470 0.001 0.000 0.272 147 S C 0.566 175.013 174.600 -0.254 0.000 1.150 147 S CA -0.563 57.602 58.200 -0.058 0.000 0.849 147 S CB 1.324 64.481 63.200 -0.072 0.000 1.113 147 S HN 0.386 nan 8.310 nan 0.000 0.458 148 Q N 0.723 120.398 119.800 -0.209 0.000 2.167 148 Q HA 0.020 4.361 4.340 0.001 0.000 0.202 148 Q C -0.654 175.025 176.000 -0.534 0.000 0.970 148 Q CA 1.335 56.903 55.803 -0.393 0.000 0.855 148 Q CB 0.089 28.823 28.738 -0.006 0.000 0.911 148 Q HN 0.640 nan 8.270 nan 0.000 0.438 149 Y N -1.628 118.582 120.300 -0.150 0.000 2.504 149 Y HA 0.418 4.968 4.550 0.001 0.000 0.344 149 Y C -0.165 175.791 175.900 0.094 0.000 1.023 149 Y CA -0.688 57.377 58.100 -0.059 0.000 1.020 149 Y CB 2.575 41.029 38.460 -0.009 0.000 1.282 149 Y HN -0.310 nan 8.280 nan 0.000 0.454 150 T N 1.214 115.925 114.554 0.261 0.000 2.816 150 T HA 0.759 5.110 4.350 0.001 0.000 0.299 150 T C -2.083 172.728 174.700 0.186 0.000 1.230 150 T CA -0.561 61.769 62.100 0.384 0.000 1.007 150 T CB 1.261 70.353 68.868 0.373 0.000 1.289 150 T HN 0.323 nan 8.240 nan 0.000 0.508 151 V N 3.306 123.278 119.914 0.096 0.000 2.443 151 V HA 0.692 4.812 4.120 0.001 0.000 0.293 151 V C -0.023 176.105 176.094 0.058 0.000 1.021 151 V CA -0.698 61.610 62.300 0.013 0.000 0.848 151 V CB 1.130 32.892 31.823 -0.101 0.000 0.998 151 V HN 0.836 nan 8.190 nan 0.000 0.424 152 V N 0.592 120.532 119.914 0.043 0.000 2.960 152 V HA 0.682 4.803 4.120 0.001 0.000 0.315 152 V C -0.214 175.875 176.094 -0.008 0.000 1.087 152 V CA -0.805 61.513 62.300 0.029 0.000 0.982 152 V CB 2.099 33.949 31.823 0.046 0.000 1.039 152 V HN 0.717 nan 8.190 nan 0.000 0.437 153 D N 1.465 121.848 120.400 -0.028 0.000 2.360 153 D HA 0.078 4.718 4.640 0.001 0.000 0.242 153 D C 0.863 177.157 176.300 -0.009 0.000 1.184 153 D CA 0.311 54.296 54.000 -0.025 0.000 0.930 153 D CB 1.749 42.522 40.800 -0.045 0.000 1.161 153 D HN 0.923 nan 8.370 nan 0.000 0.447 154 E N 0.755 120.961 120.200 0.010 0.000 2.085 154 E HA -0.190 4.160 4.350 0.001 0.000 0.194 154 E C 2.081 178.673 176.600 -0.012 0.000 0.994 154 E CA 0.953 57.363 56.400 0.016 0.000 0.801 154 E CB -0.072 29.663 29.700 0.057 0.000 0.743 154 E HN 0.585 nan 8.360 nan 0.000 0.453 155 I N -1.498 119.051 120.570 -0.034 0.000 2.850 155 I HA -0.083 4.087 4.170 0.001 0.000 0.266 155 I C 1.103 177.187 176.117 -0.055 0.000 1.257 155 I CA 0.938 62.209 61.300 -0.048 0.000 1.465 155 I CB 0.113 38.074 38.000 -0.065 0.000 1.091 155 I HN -0.118 nan 8.210 nan 0.000 0.467 156 S N 0.838 116.509 115.700 -0.049 0.000 2.537 156 S HA 0.433 4.904 4.470 0.001 0.000 0.246 156 S C -0.038 174.537 174.600 -0.042 0.000 1.036 156 S CA -0.310 57.855 58.200 -0.060 0.000 1.041 156 S CB 0.324 63.495 63.200 -0.048 0.000 0.799 156 S HN 0.334 nan 8.310 nan 0.000 0.456 157 V N 1.095 120.990 119.914 -0.031 0.000 2.777 157 V HA 0.827 4.948 4.120 0.001 0.000 0.306 157 V C -1.620 174.468 176.094 -0.010 0.000 1.112 157 V CA -0.675 61.615 62.300 -0.016 0.000 0.917 157 V CB 1.681 33.502 31.823 -0.003 0.000 1.018 157 V HN 0.258 nan 8.190 nan 0.000 0.426 158 A N 5.920 128.739 122.820 -0.003 0.000 2.318 158 A HA 0.687 5.008 4.320 0.001 0.000 0.317 158 A C -0.426 177.166 177.584 0.014 0.000 1.159 158 A CA -0.736 51.306 52.037 0.009 0.000 0.799 158 A CB 1.138 20.149 19.000 0.020 0.000 1.194 158 A HN 0.896 nan 8.150 nan 0.000 0.479 159 K N 3.376 123.785 120.400 0.014 0.000 2.339 159 K HA 0.443 4.763 4.320 0.001 0.000 0.286 159 K C -0.256 176.354 176.600 0.018 0.000 1.050 159 K CA -0.079 56.216 56.287 0.014 0.000 0.956 159 K CB 0.126 32.633 32.500 0.012 0.000 0.990 159 K HN 0.729 nan 8.250 nan 0.000 0.475 160 I N -0.581 120.000 120.570 0.018 0.000 3.237 160 I HA 0.377 4.547 4.170 0.001 0.000 0.308 160 I C -0.184 175.944 176.117 0.019 0.000 1.093 160 I CA -1.152 60.162 61.300 0.023 0.000 1.001 160 I CB 1.192 39.210 38.000 0.031 0.000 1.245 160 I HN 0.446 nan 8.210 nan 0.000 0.485 161 D N 1.755 122.168 120.400 0.021 0.000 2.520 161 D HA 0.031 4.672 4.640 0.001 0.000 0.243 161 D C 1.060 177.368 176.300 0.012 0.000 1.160 161 D CA 0.630 54.638 54.000 0.014 0.000 0.877 161 D CB 1.576 42.384 40.800 0.014 0.000 1.150 161 D HN 0.723 nan 8.370 nan 0.000 0.494 162 A N 3.748 126.572 122.820 0.007 0.000 2.178 162 A HA 0.019 4.339 4.320 0.001 0.000 0.218 162 A C 1.644 179.230 177.584 0.004 0.000 1.157 162 A CA 1.452 53.492 52.037 0.005 0.000 0.689 162 A CB 0.053 19.055 19.000 0.002 0.000 0.787 162 A HN 0.570 nan 8.150 nan 0.000 0.465 163 A N -0.642 122.180 122.820 0.004 0.000 2.500 163 A HA 0.501 4.822 4.320 0.001 0.000 0.267 163 A C 0.654 178.245 177.584 0.012 0.000 1.290 163 A CA -0.086 51.953 52.037 0.002 0.000 0.928 163 A CB -0.109 18.886 19.000 -0.009 0.000 1.066 163 A HN 0.202 nan 8.150 nan 0.000 0.516 164 S N 3.003 118.717 115.700 0.024 0.000 2.523 164 S HA 0.355 4.826 4.470 0.001 0.000 0.275 164 S C -2.497 172.135 174.600 0.054 0.000 1.281 164 S CA -0.765 57.465 58.200 0.051 0.000 1.050 164 S CB 0.647 63.881 63.200 0.057 0.000 0.937 164 S HN 0.367 nan 8.310 nan 0.000 0.492 165 P HA 0.111 nan 4.420 nan 0.000 0.268 165 P C 0.597 177.926 177.300 0.048 0.000 1.485 165 P CA -0.086 63.058 63.100 0.073 0.000 1.102 165 P CB 0.016 31.789 31.700 0.121 0.000 1.501 166 L N 2.372 123.614 121.223 0.031 0.000 2.189 166 L HA -0.204 4.137 4.340 0.001 0.000 0.214 166 L C 2.378 179.259 176.870 0.019 0.000 1.097 166 L CA 1.577 56.428 54.840 0.020 0.000 0.764 166 L CB -0.873 41.195 42.059 0.014 0.000 0.900 166 L HN 0.345 nan 8.230 nan 0.000 0.436 167 E N 0.810 121.026 120.200 0.026 0.000 2.516 167 E HA -0.154 4.197 4.350 0.001 0.000 0.199 167 E C 1.178 177.776 176.600 -0.003 0.000 1.069 167 E CA 0.826 57.242 56.400 0.026 0.000 0.876 167 E CB 0.139 29.859 29.700 0.033 0.000 0.843 167 E HN 0.565 nan 8.360 nan 0.000 0.530 168 K N 0.106 120.484 120.400 -0.036 0.000 2.485 168 K HA 0.077 4.397 4.320 0.001 0.000 0.200 168 K C 1.941 178.396 176.600 -0.241 0.000 1.344 168 K CA 0.808 57.014 56.287 -0.135 0.000 0.948 168 K CB 0.482 32.905 32.500 -0.129 0.000 1.454 168 K HN 0.059 nan 8.250 nan 0.000 0.502 169 V N 0.825 120.627 119.914 -0.185 0.000 3.444 169 V HA -0.118 4.002 4.120 0.001 0.000 0.271 169 V C 2.192 178.252 176.094 -0.056 0.000 1.188 169 V CA 0.968 63.171 62.300 -0.161 0.000 1.168 169 V CB -1.637 30.156 31.823 -0.050 0.000 0.810 169 V HN 0.464 nan 8.190 nan 0.000 0.500 170 C N -0.977 118.304 119.300 -0.032 0.000 2.448 170 C HA 0.136 4.597 4.460 0.001 0.000 0.280 170 C C 2.284 177.297 174.990 0.037 0.000 1.398 170 C CA 0.254 59.282 59.018 0.018 0.000 1.774 170 C CB -1.605 26.156 27.740 0.034 0.000 1.888 170 C HN 0.551 nan 8.230 nan 0.000 0.519 171 L N 0.713 121.938 121.223 0.004 0.000 2.201 171 L HA -0.008 4.332 4.340 0.001 0.000 0.212 171 L C 2.724 179.677 176.870 0.138 0.000 1.105 171 L CA 1.215 56.085 54.840 0.049 0.000 0.775 171 L CB -0.446 41.611 42.059 -0.003 0.000 0.913 171 L HN 0.322 nan 8.230 nan 0.000 0.440 172 I N -0.095 120.540 120.570 0.107 0.000 2.493 172 I HA -0.182 3.989 4.170 0.001 0.000 0.254 172 I C 2.504 178.811 176.117 0.316 0.000 1.160 172 I CA 1.088 62.507 61.300 0.198 0.000 1.445 172 I CB -0.681 37.391 38.000 0.119 0.000 1.086 172 I HN 0.282 nan 8.210 nan 0.000 0.433 173 G N -0.516 108.437 108.800 0.255 0.000 2.501 173 G HA2 -0.265 3.695 3.960 0.001 0.000 0.220 173 G HA3 -0.265 3.695 3.960 0.001 0.000 0.220 173 G C 1.209 176.427 174.900 0.531 0.000 1.114 173 G CA 1.159 46.437 45.100 0.295 0.000 0.757 173 G HN 0.541 nan 8.290 nan 0.000 0.559 174 C N -3.185 116.445 119.300 0.550 0.000 3.356 174 C HA 0.444 4.904 4.460 0.001 0.000 0.137 174 C C 2.857 178.103 174.990 0.427 0.000 2.678 174 C CA 1.374 60.808 59.018 0.693 0.000 0.844 174 C CB -0.564 27.482 27.740 0.510 0.000 1.389 174 C HN 0.469 nan 8.230 nan 0.000 0.671 175 G N 1.073 110.032 108.800 0.264 0.000 2.679 175 G HA2 -0.338 3.623 3.960 0.001 0.000 0.222 175 G HA3 -0.338 3.623 3.960 0.001 0.000 0.222 175 G C 1.292 176.273 174.900 0.135 0.000 1.164 175 G CA 1.997 47.201 45.100 0.174 0.000 0.769 175 G HN 0.745 nan 8.290 nan 0.000 0.610 176 F N 1.914 121.873 119.950 0.016 0.000 2.022 176 F HA -0.021 4.507 4.527 0.001 0.000 0.293 176 F C 3.005 178.764 175.800 -0.068 0.000 1.142 176 F CA 1.978 59.927 58.000 -0.085 0.000 1.177 176 F CB -0.697 38.166 39.000 -0.228 0.000 0.982 176 F HN 0.166 nan 8.300 nan 0.000 0.473 177 S N 0.099 115.660 115.700 -0.231 0.000 2.389 177 S HA -0.283 4.188 4.470 0.001 0.000 0.231 177 S C 1.916 176.409 174.600 -0.178 0.000 1.052 177 S CA 2.018 60.011 58.200 -0.345 0.000 1.053 177 S CB -1.035 61.939 63.200 -0.378 0.000 0.886 177 S HN 0.573 nan 8.310 nan 0.000 0.456 178 T N 1.443 115.958 114.554 -0.065 0.000 2.643 178 T HA -0.037 4.313 4.350 0.001 0.000 0.264 178 T C 2.138 176.794 174.700 -0.074 0.000 1.045 178 T CA 1.388 63.499 62.100 0.017 0.000 1.155 178 T CB -1.019 67.958 68.868 0.182 0.000 0.863 178 T HN 0.555 nan 8.240 nan 0.000 0.420 179 G N -0.216 108.517 108.800 -0.113 0.000 2.418 179 G HA2 -0.245 3.715 3.960 0.001 0.000 0.217 179 G HA3 -0.245 3.715 3.960 0.001 0.000 0.217 179 G C 1.417 176.166 174.900 -0.251 0.000 1.158 179 G CA 0.768 45.770 45.100 -0.163 0.000 0.771 179 G HN 0.487 nan 8.290 nan 0.000 0.545 180 Y N 1.831 121.813 120.300 -0.529 0.000 2.097 180 Y HA -0.066 4.485 4.550 0.001 0.000 0.282 180 Y C 2.876 178.593 175.900 -0.305 0.000 1.152 180 Y CA 1.794 59.577 58.100 -0.528 0.000 1.136 180 Y CB -0.620 37.224 38.460 -1.027 0.000 0.975 180 Y HN 0.139 nan 8.280 nan 0.000 0.498 181 G N -1.197 107.529 108.800 -0.124 0.000 2.446 181 G HA2 -0.281 3.680 3.960 0.001 0.000 0.217 181 G HA3 -0.281 3.680 3.960 0.001 0.000 0.217 181 G C 1.857 176.509 174.900 -0.414 0.000 1.168 181 G CA 1.220 45.981 45.100 -0.565 0.000 0.771 181 G HN 0.444 nan 8.290 nan 0.000 0.551 182 S N 1.004 116.558 115.700 -0.244 0.000 2.402 182 S HA -0.074 4.396 4.470 0.001 0.000 0.233 182 S C 2.627 177.229 174.600 0.004 0.000 1.030 182 S CA 1.369 59.529 58.200 -0.066 0.000 1.003 182 S CB -0.285 62.938 63.200 0.038 0.000 0.813 182 S HN 0.645 nan 8.310 nan 0.000 0.477 183 A N 1.179 123.843 122.820 -0.260 0.000 1.850 183 A HA 0.071 4.391 4.320 0.001 0.000 0.212 183 A C 2.442 179.850 177.584 -0.294 0.000 1.208 183 A CA 1.335 53.186 52.037 -0.310 0.000 0.609 183 A CB -0.884 17.811 19.000 -0.509 0.000 0.860 183 A HN 0.502 nan 8.150 nan 0.000 0.448 184 V N -2.050 117.616 119.914 -0.413 0.000 2.535 184 V HA 0.045 4.166 4.120 0.001 0.000 0.246 184 V C 2.086 178.015 176.094 -0.274 0.000 1.045 184 V CA 2.284 64.367 62.300 -0.362 0.000 1.058 184 V CB -0.586 30.962 31.823 -0.457 0.000 0.689 184 V HN 0.492 nan 8.190 nan 0.000 0.461 185 K N -0.162 120.040 120.400 -0.330 0.000 2.141 185 K HA 0.146 4.467 4.320 0.001 0.000 0.202 185 K C 1.922 178.388 176.600 -0.223 0.000 1.045 185 K CA 1.210 57.312 56.287 -0.309 0.000 0.971 185 K CB 0.380 32.540 32.500 -0.566 0.000 0.795 185 K HN 0.358 nan 8.250 nan 0.000 0.459 186 V N 0.963 120.751 119.914 -0.210 0.000 2.278 186 V HA -0.049 4.071 4.120 0.001 0.000 0.238 186 V C 2.270 178.336 176.094 -0.047 0.000 1.039 186 V CA 1.852 64.088 62.300 -0.107 0.000 1.017 186 V CB -0.437 31.338 31.823 -0.080 0.000 0.657 186 V HN 0.424 nan 8.190 nan 0.000 0.462 187 A N -1.043 121.772 122.820 -0.008 0.000 1.972 187 A HA -0.156 4.165 4.320 0.001 0.000 0.219 187 A C 1.189 178.667 177.584 -0.177 0.000 1.169 187 A CA 1.210 53.240 52.037 -0.012 0.000 0.635 187 A CB -0.480 18.561 19.000 0.069 0.000 0.810 187 A HN 0.641 nan 8.150 nan 0.000 0.446 188 K N -0.919 119.342 120.400 -0.231 0.000 3.393 188 K HA -0.111 4.209 4.320 0.001 0.000 0.272 188 K C -0.547 175.727 176.600 -0.543 0.000 1.004 188 K CA 0.318 56.449 56.287 -0.261 0.000 0.764 188 K CB -2.106 30.334 32.500 -0.101 0.000 1.373 188 K HN 0.246 nan 8.250 nan 0.000 0.458 189 V N 1.754 121.227 119.914 -0.735 0.000 2.617 189 V HA -0.043 4.077 4.120 0.001 0.000 0.304 189 V C 1.327 177.192 176.094 -0.381 0.000 1.040 189 V CA 0.745 62.447 62.300 -0.995 0.000 1.149 189 V CB 0.852 32.381 31.823 -0.491 0.000 0.914 189 V HN 0.533 nan 8.190 nan 0.000 0.487 190 T N 2.900 117.398 114.554 -0.093 0.000 2.934 190 T HA 0.398 4.749 4.350 0.001 0.000 0.283 190 T C -0.190 174.553 174.700 0.072 0.000 1.005 190 T CA -0.731 61.410 62.100 0.068 0.000 1.041 190 T CB 1.217 70.197 68.868 0.185 0.000 1.042 190 T HN 0.695 nan 8.240 nan 0.000 0.505 191 Q N 0.265 120.091 119.800 0.042 0.000 2.300 191 Q HA 0.357 4.697 4.340 0.001 0.000 0.280 191 Q C 1.262 177.293 176.000 0.052 0.000 1.033 191 Q CA 1.058 56.884 55.803 0.038 0.000 0.903 191 Q CB -0.308 28.445 28.738 0.025 0.000 1.195 191 Q HN 1.281 nan 8.270 nan 0.000 0.386 192 G N 2.611 111.443 108.800 0.052 0.000 2.143 192 G HA2 -0.290 3.670 3.960 0.001 0.000 0.248 192 G HA3 -0.290 3.670 3.960 0.001 0.000 0.248 192 G C -0.047 174.896 174.900 0.072 0.000 0.991 192 G CA 0.379 45.510 45.100 0.051 0.000 0.689 192 G HN 0.897 nan 8.290 nan 0.000 0.522 193 S N -0.923 114.844 115.700 0.113 0.000 2.687 193 S HA 0.778 5.249 4.470 0.001 0.000 0.283 193 S C -0.014 174.680 174.600 0.156 0.000 1.170 193 S CA 0.190 58.487 58.200 0.161 0.000 1.008 193 S CB 2.123 65.515 63.200 0.319 0.000 1.026 193 S HN 0.546 nan 8.310 nan 0.000 0.541 194 T N 1.635 116.283 114.554 0.157 0.000 2.756 194 T HA 0.527 4.877 4.350 0.001 0.000 0.290 194 T C -0.398 174.420 174.700 0.197 0.000 0.985 194 T CA -0.476 61.706 62.100 0.136 0.000 0.955 194 T CB -0.275 68.645 68.868 0.086 0.000 0.930 194 T HN 0.764 nan 8.240 nan 0.000 0.451 195 C N 2.516 121.948 119.300 0.220 0.000 2.470 195 C HA 0.970 5.430 4.460 0.001 0.000 0.341 195 C C 0.514 175.648 174.990 0.241 0.000 1.190 195 C CA -0.942 58.263 59.018 0.311 0.000 1.904 195 C CB 0.809 28.785 27.740 0.392 0.000 2.354 195 C HN 0.986 nan 8.230 nan 0.000 0.509 196 A N 1.069 124.078 122.820 0.315 0.000 2.359 196 A HA 0.752 5.072 4.320 0.001 0.000 0.303 196 A C -1.157 176.676 177.584 0.415 0.000 1.066 196 A CA -0.274 51.919 52.037 0.260 0.000 0.730 196 A CB 0.846 20.005 19.000 0.265 0.000 1.211 196 A HN 0.759 nan 8.150 nan 0.000 0.439 197 V N 2.782 122.853 119.914 0.262 0.000 2.350 197 V HA 0.422 4.542 4.120 0.001 0.000 0.285 197 V C -1.103 175.142 176.094 0.252 0.000 1.014 197 V CA -0.312 62.173 62.300 0.309 0.000 0.831 197 V CB 0.566 32.470 31.823 0.134 0.000 1.000 197 V HN 0.690 nan 8.190 nan 0.000 0.433 198 F N 2.768 122.814 119.950 0.159 0.000 2.411 198 F HA 0.719 5.246 4.527 0.000 0.000 0.355 198 F C 0.950 176.826 175.800 0.127 0.000 1.117 198 F CA -0.209 57.870 58.000 0.131 0.000 1.139 198 F CB 1.454 40.526 39.000 0.120 0.000 1.120 198 F HN 0.777 nan 8.300 nan 0.000 0.493 199 G N 4.458 113.407 108.800 0.248 0.000 3.251 199 G HA2 -0.145 3.815 3.960 0.001 0.000 0.680 199 G HA3 -0.145 3.815 3.960 0.001 0.000 0.680 199 G C -0.768 174.221 174.900 0.149 0.000 1.129 199 G CA -1.053 44.161 45.100 0.191 0.000 0.994 199 G HN 0.690 nan 8.290 nan 0.000 0.450 200 L N 2.627 123.930 121.223 0.134 0.000 2.865 200 L HA 0.487 4.827 4.340 0.001 0.000 0.233 200 L C 1.470 178.397 176.870 0.096 0.000 1.320 200 L CA 0.164 55.076 54.840 0.120 0.000 1.225 200 L CB -0.184 41.971 42.059 0.160 0.000 1.542 200 L HN 0.654 nan 8.230 nan 0.000 0.432 201 G N -0.657 108.195 108.800 0.086 0.000 2.736 201 G HA2 0.424 4.384 3.960 0.001 0.000 0.229 201 G HA3 0.424 4.384 3.960 0.001 0.000 0.229 201 G C 0.934 175.873 174.900 0.065 0.000 1.380 201 G CA 0.179 45.319 45.100 0.068 0.000 1.040 201 G HN 0.262 nan 8.290 nan 0.000 0.568 202 G N 0.007 108.841 108.800 0.056 0.000 2.459 202 G HA2 0.029 3.989 3.960 0.001 0.000 0.217 202 G HA3 0.029 3.989 3.960 0.001 0.000 0.217 202 G C 1.970 176.910 174.900 0.068 0.000 1.183 202 G CA 2.054 47.191 45.100 0.062 0.000 0.776 202 G HN 0.958 nan 8.290 nan 0.000 0.552 203 A N 0.678 123.536 122.820 0.065 0.000 1.930 203 A HA 0.210 4.530 4.320 0.001 0.000 0.217 203 A C 2.669 180.269 177.584 0.026 0.000 1.175 203 A CA 2.004 54.072 52.037 0.052 0.000 0.627 203 A CB -0.950 18.093 19.000 0.072 0.000 0.815 203 A HN 0.539 nan 8.150 nan 0.000 0.443 204 G N 0.120 108.949 108.800 0.049 0.000 2.433 204 G HA2 -0.175 3.785 3.960 0.001 0.000 0.216 204 G HA3 -0.175 3.785 3.960 0.001 0.000 0.216 204 G C 1.510 176.419 174.900 0.014 0.000 1.186 204 G CA 1.014 46.139 45.100 0.041 0.000 0.779 204 G HN 0.428 nan 8.290 nan 0.000 0.543 205 L N 0.879 122.129 121.223 0.044 0.000 2.127 205 L HA -0.110 4.230 4.340 0.001 0.000 0.211 205 L C 3.126 180.025 176.870 0.048 0.000 1.089 205 L CA 1.143 56.015 54.840 0.053 0.000 0.757 205 L CB -0.387 41.718 42.059 0.077 0.000 0.899 205 L HN 0.186 nan 8.230 nan 0.000 0.434 206 S N -0.548 115.172 115.700 0.034 0.000 2.368 206 S HA -0.117 4.354 4.470 0.001 0.000 0.224 206 S C 2.083 176.630 174.600 -0.089 0.000 1.029 206 S CA 0.920 59.126 58.200 0.010 0.000 0.988 206 S CB -0.105 63.046 63.200 -0.081 0.000 0.838 206 S HN 0.143 nan 8.310 nan 0.000 0.462 207 V N 2.655 122.468 119.914 -0.168 0.000 2.231 207 V HA -0.226 3.894 4.120 0.001 0.000 0.248 207 V C 2.096 178.014 176.094 -0.295 0.000 1.054 207 V CA 1.784 63.868 62.300 -0.361 0.000 1.015 207 V CB -0.707 30.824 31.823 -0.487 0.000 0.638 207 V HN 0.476 nan 8.190 nan 0.000 0.444 208 I N -0.888 119.587 120.570 -0.158 0.000 2.185 208 I HA -0.388 3.782 4.170 0.001 0.000 0.246 208 I C 2.532 178.633 176.117 -0.027 0.000 1.088 208 I CA 2.021 63.277 61.300 -0.073 0.000 1.347 208 I CB -0.389 37.607 38.000 -0.006 0.000 1.041 208 I HN 0.334 nan 8.210 nan 0.000 0.415 209 M N 0.129 119.747 119.600 0.030 0.000 2.132 209 M HA -0.106 4.374 4.480 0.001 0.000 0.263 209 M C 2.421 178.786 176.300 0.107 0.000 1.065 209 M CA 1.973 57.356 55.300 0.139 0.000 1.122 209 M CB -0.809 31.959 32.600 0.280 0.000 1.365 209 M HN 0.366 nan 8.290 nan 0.000 0.411 210 G N -0.472 108.296 108.800 -0.053 0.000 2.422 210 G HA2 -0.205 3.756 3.960 0.001 0.000 0.218 210 G HA3 -0.205 3.756 3.960 0.001 0.000 0.218 210 G C 1.466 176.201 174.900 -0.277 0.000 1.146 210 G CA 0.979 45.845 45.100 -0.390 0.000 0.769 210 G HN 0.471 nan 8.290 nan 0.000 0.547 211 C N -0.107 119.072 119.300 -0.201 0.000 2.450 211 C HA 0.136 4.596 4.460 0.001 0.000 0.279 211 C C 2.689 177.651 174.990 -0.048 0.000 1.335 211 C CA 0.951 59.892 59.018 -0.129 0.000 1.749 211 C CB -0.309 27.375 27.740 -0.093 0.000 1.963 211 C HN 0.438 nan 8.230 nan 0.000 0.501 212 K N 1.913 122.307 120.400 -0.010 0.000 2.103 212 K HA 0.041 4.362 4.320 0.001 0.000 0.204 212 K C 2.003 178.631 176.600 0.046 0.000 1.052 212 K CA 1.686 57.993 56.287 0.035 0.000 0.945 212 K CB -0.469 32.072 32.500 0.067 0.000 0.722 212 K HN 0.358 nan 8.250 nan 0.000 0.443 213 A N 0.375 123.227 122.820 0.053 0.000 1.897 213 A HA 0.068 4.389 4.320 0.001 0.000 0.215 213 A C 2.322 179.912 177.584 0.010 0.000 1.181 213 A CA 1.635 53.718 52.037 0.076 0.000 0.620 213 A CB -0.939 18.150 19.000 0.150 0.000 0.821 213 A HN 0.358 nan 8.150 nan 0.000 0.443 214 A N -1.702 121.082 122.820 -0.061 0.000 2.019 214 A HA 0.309 4.630 4.320 0.001 0.000 0.219 214 A C 1.916 179.483 177.584 -0.029 0.000 1.164 214 A CA 1.799 53.790 52.037 -0.077 0.000 0.644 214 A CB -0.867 18.044 19.000 -0.149 0.000 0.805 214 A HN 1.952 nan 8.150 nan 0.000 0.449 215 G N -2.668 106.128 108.800 -0.006 0.000 2.143 215 G HA2 0.219 4.180 3.960 0.001 0.000 0.175 215 G HA3 0.219 4.180 3.960 0.001 0.000 0.175 215 G C 0.301 175.219 174.900 0.029 0.000 1.004 215 G CA 0.141 45.251 45.100 0.017 0.000 0.671 215 G HN 1.560 nan 8.290 nan 0.000 0.512 216 A N 0.106 122.944 122.820 0.030 0.000 2.540 216 A HA 0.646 4.967 4.320 0.001 0.000 0.239 216 A C 1.598 179.215 177.584 0.056 0.000 1.061 216 A CA 1.320 53.395 52.037 0.063 0.000 0.758 216 A CB 0.507 19.551 19.000 0.073 0.000 0.991 216 A HN 1.845 nan 8.150 nan 0.000 0.502 217 A N 2.468 125.325 122.820 0.062 0.000 2.218 217 A HA 0.338 4.658 4.320 0.001 0.000 0.209 217 A C 1.066 178.677 177.584 0.045 0.000 1.168 217 A CA 0.700 52.765 52.037 0.047 0.000 0.804 217 A CB 0.012 19.038 19.000 0.043 0.000 0.834 217 A HN 0.797 nan 8.150 nan 0.000 0.482 218 R N -0.307 120.227 120.500 0.056 0.000 2.542 218 R HA 0.506 4.847 4.340 0.001 0.000 0.284 218 R C -2.168 174.168 176.300 0.060 0.000 1.167 218 R CA -0.376 55.752 56.100 0.047 0.000 1.000 218 R CB 0.894 31.219 30.300 0.042 0.000 1.229 218 R HN 0.209 nan 8.270 nan 0.000 0.416 219 I N 6.712 127.308 120.570 0.042 0.000 2.437 219 I HA 0.332 4.502 4.170 0.001 0.000 0.279 219 I C -0.184 175.942 176.117 0.014 0.000 1.028 219 I CA -0.608 60.721 61.300 0.047 0.000 1.142 219 I CB 1.578 39.600 38.000 0.036 0.000 1.266 219 I HN 0.453 nan 8.210 nan 0.000 0.461 220 I N 5.550 126.127 120.570 0.013 0.000 2.291 220 I HA 0.301 4.472 4.170 0.001 0.000 0.292 220 I C 1.038 177.113 176.117 -0.070 0.000 1.064 220 I CA -0.143 61.130 61.300 -0.046 0.000 1.269 220 I CB 0.762 38.731 38.000 -0.052 0.000 1.418 220 I HN 0.576 nan 8.210 nan 0.000 0.485 221 G N 5.950 114.686 108.800 -0.106 0.000 2.353 221 G HA2 0.513 4.473 3.960 0.001 0.000 0.284 221 G HA3 0.513 4.473 3.960 0.001 0.000 0.284 221 G C -0.484 174.319 174.900 -0.161 0.000 1.172 221 G CA -0.265 44.781 45.100 -0.090 0.000 0.854 221 G HN 0.374 nan 8.290 nan 0.000 0.485 222 V N 3.254 123.064 119.914 -0.173 0.000 2.448 222 V HA 0.589 4.710 4.120 0.001 0.000 0.295 222 V C -0.685 175.415 176.094 0.010 0.000 1.025 222 V CA -0.677 61.485 62.300 -0.230 0.000 0.859 222 V CB 1.661 32.998 31.823 -0.810 0.000 0.988 222 V HN 0.789 nan 8.190 nan 0.000 0.431 223 D N 2.303 122.822 120.400 0.198 0.000 2.706 223 D HA 0.305 4.945 4.640 0.001 0.000 0.225 223 D C 0.388 176.797 176.300 0.182 0.000 1.241 223 D CA -0.512 53.616 54.000 0.213 0.000 0.784 223 D CB 2.272 43.216 40.800 0.240 0.000 1.521 223 D HN 0.490 nan 8.370 nan 0.000 0.461 224 I N -0.501 120.126 120.570 0.096 0.000 3.564 224 I HA 0.254 4.425 4.170 0.001 0.000 0.294 224 I C 0.376 176.468 176.117 -0.043 0.000 1.289 224 I CA 0.102 61.434 61.300 0.053 0.000 1.325 224 I CB -0.057 37.980 38.000 0.061 0.000 1.039 224 I HN -0.035 nan 8.210 nan 0.000 0.474 225 N N 2.740 121.368 118.700 -0.119 0.000 2.564 225 N HA 0.134 4.874 4.740 0.001 0.000 0.248 225 N C 0.881 176.075 175.510 -0.528 0.000 0.986 225 N CA -0.594 52.328 53.050 -0.213 0.000 0.921 225 N CB 1.154 39.570 38.487 -0.118 0.000 1.136 225 N HN 0.327 nan 8.380 nan 0.000 0.509 226 K N 1.595 121.567 120.400 -0.712 0.000 2.281 226 K HA -0.123 4.197 4.320 0.001 0.000 0.203 226 K C -0.139 175.977 176.600 -0.806 0.000 1.046 226 K CA 1.115 56.588 56.287 -1.357 0.000 0.938 226 K CB 0.175 32.294 32.500 -0.634 0.000 0.737 226 K HN 0.262 nan 8.250 nan 0.000 0.458 227 D N 1.397 121.563 120.400 -0.389 0.000 2.309 227 D HA -0.081 4.559 4.640 0.001 0.000 0.212 227 D C 1.152 177.388 176.300 -0.106 0.000 0.968 227 D CA 0.858 54.754 54.000 -0.174 0.000 0.882 227 D CB 0.118 40.857 40.800 -0.102 0.000 0.918 227 D HN 0.204 nan 8.370 nan 0.000 0.503 228 K N -0.010 120.300 120.400 -0.150 0.000 2.444 228 K HA 0.061 4.381 4.320 0.001 0.000 0.193 228 K C 1.373 178.098 176.600 0.209 0.000 1.024 228 K CA -0.100 56.201 56.287 0.023 0.000 1.077 228 K CB -0.103 32.420 32.500 0.039 0.000 0.833 228 K HN 0.148 nan 8.250 nan 0.000 0.517 229 F N 1.308 121.271 119.950 0.022 0.000 2.163 229 F HA -0.008 4.519 4.527 0.001 0.000 0.297 229 F C 2.372 178.184 175.800 0.021 0.000 1.094 229 F CA 0.230 58.242 58.000 0.020 0.000 1.290 229 F CB -1.274 37.736 39.000 0.017 0.000 1.017 229 F HN -0.013 nan 8.300 nan 0.000 0.483 230 A N 0.141 123.088 122.820 0.213 0.000 1.851 230 A HA -0.267 4.054 4.320 0.001 0.000 0.216 230 A C 2.294 179.937 177.584 0.098 0.000 1.195 230 A CA 2.165 54.276 52.037 0.124 0.000 0.622 230 A CB -0.875 18.175 19.000 0.083 0.000 0.831 230 A HN 0.270 nan 8.150 nan 0.000 0.444 231 K N -0.547 119.909 120.400 0.093 0.000 2.147 231 K HA -0.011 4.309 4.320 0.001 0.000 0.205 231 K C 2.090 178.742 176.600 0.086 0.000 1.049 231 K CA 1.155 57.489 56.287 0.079 0.000 0.936 231 K CB -0.315 32.228 32.500 0.071 0.000 0.722 231 K HN 0.429 nan 8.250 nan 0.000 0.446 232 A N 1.257 124.143 122.820 0.110 0.000 1.902 232 A HA -0.184 4.137 4.320 0.001 0.000 0.217 232 A C 1.780 179.403 177.584 0.064 0.000 1.181 232 A CA 1.514 53.609 52.037 0.096 0.000 0.623 232 A CB -0.301 18.778 19.000 0.131 0.000 0.818 232 A HN 0.136 nan 8.150 nan 0.000 0.443 233 K N -0.323 120.115 120.400 0.062 0.000 2.057 233 K HA -0.154 4.167 4.320 0.001 0.000 0.206 233 K C 1.998 178.624 176.600 0.044 0.000 1.050 233 K CA 1.353 57.663 56.287 0.038 0.000 0.935 233 K CB -0.439 32.083 32.500 0.037 0.000 0.715 233 K HN 0.771 nan 8.250 nan 0.000 0.439 234 E N 1.322 121.555 120.200 0.054 0.000 2.070 234 E HA -0.185 4.166 4.350 0.001 0.000 0.197 234 E C 1.856 178.491 176.600 0.058 0.000 1.004 234 E CA 1.988 58.419 56.400 0.052 0.000 0.805 234 E CB 0.070 29.802 29.700 0.054 0.000 0.744 234 E HN 0.143 nan 8.360 nan 0.000 0.451 235 V N -3.312 116.642 119.914 0.066 0.000 3.041 235 V HA 0.244 4.364 4.120 0.001 0.000 0.260 235 V C 1.464 177.602 176.094 0.072 0.000 1.105 235 V CA 1.340 63.686 62.300 0.078 0.000 1.125 235 V CB 0.362 32.238 31.823 0.088 0.000 0.730 235 V HN 0.421 nan 8.190 nan 0.000 0.479 236 G N -0.831 108.001 108.800 0.054 0.000 3.655 236 G HA2 0.200 4.160 3.960 0.001 0.000 0.219 236 G HA3 0.200 4.160 3.960 0.001 0.000 0.219 236 G C 0.462 175.379 174.900 0.030 0.000 0.933 236 G CA 0.030 45.157 45.100 0.045 0.000 0.856 236 G HN 1.190 nan 8.290 nan 0.000 0.523 237 A N 1.712 124.546 122.820 0.023 0.000 2.522 237 A HA 0.502 4.823 4.320 0.001 0.000 0.256 237 A C 1.712 179.293 177.584 -0.005 0.000 1.086 237 A CA 1.464 53.503 52.037 0.004 0.000 0.763 237 A CB 0.069 19.063 19.000 -0.010 0.000 1.024 237 A HN 1.037 nan 8.150 nan 0.000 0.502 238 T N 0.285 114.835 114.554 -0.006 0.000 2.951 238 T HA 0.088 4.439 4.350 0.001 0.000 0.268 238 T C 0.461 175.142 174.700 -0.031 0.000 1.073 238 T CA 1.248 63.343 62.100 -0.008 0.000 1.134 238 T CB -0.489 68.380 68.868 0.001 0.000 0.884 238 T HN 0.934 nan 8.240 nan 0.000 0.479 239 E N -1.418 118.746 120.200 -0.061 0.000 2.409 239 E HA 0.550 4.901 4.350 0.001 0.000 0.280 239 E C -1.924 174.559 176.600 -0.197 0.000 1.079 239 E CA -1.281 55.053 56.400 -0.112 0.000 0.840 239 E CB 0.804 30.453 29.700 -0.085 0.000 1.309 239 E HN 0.104 nan 8.360 nan 0.000 0.447 240 C N 0.952 120.038 119.300 -0.356 0.000 2.707 240 C HA 0.867 5.327 4.460 0.001 0.000 0.313 240 C C -0.536 174.090 174.990 -0.606 0.000 1.209 240 C CA -0.437 58.202 59.018 -0.633 0.000 1.635 240 C CB 1.353 28.305 27.740 -1.313 0.000 2.206 240 C HN 0.634 nan 8.230 nan 0.000 0.485 241 V N 0.648 120.296 119.914 -0.444 0.000 2.876 241 V HA 0.752 4.873 4.120 0.001 0.000 0.312 241 V C -1.079 175.100 176.094 0.142 0.000 1.085 241 V CA -0.424 61.819 62.300 -0.094 0.000 0.945 241 V CB 2.029 33.823 31.823 -0.049 0.000 1.017 241 V HN 0.834 nan 8.190 nan 0.000 0.428 242 N N 3.164 122.094 118.700 0.383 0.000 2.483 242 N HA 0.562 5.303 4.740 0.001 0.000 0.267 242 N C -2.226 173.512 175.510 0.381 0.000 0.998 242 N CA -2.264 51.023 53.050 0.396 0.000 0.918 242 N CB 2.411 41.133 38.487 0.391 0.000 1.215 242 N HN 0.362 nan 8.380 nan 0.000 0.500 243 P HA -0.112 nan 4.420 nan 0.000 0.220 243 P C 0.664 178.120 177.300 0.260 0.000 1.144 243 P CA 1.302 64.560 63.100 0.262 0.000 0.800 243 P CB 0.380 32.172 31.700 0.152 0.000 0.772 244 Q N -1.069 118.839 119.800 0.180 0.000 2.369 244 Q HA -0.103 4.238 4.340 0.001 0.000 0.206 244 Q C 0.966 177.002 176.000 0.061 0.000 0.963 244 Q CA 0.823 56.690 55.803 0.106 0.000 0.894 244 Q CB -0.287 28.491 28.738 0.067 0.000 0.965 244 Q HN 0.332 nan 8.270 nan 0.000 0.475 245 D N -0.686 119.729 120.400 0.025 0.000 2.347 245 D HA -0.023 4.618 4.640 0.001 0.000 0.213 245 D C -0.261 175.837 176.300 -0.336 0.000 0.985 245 D CA 0.737 54.612 54.000 -0.209 0.000 0.879 245 D CB 0.188 40.748 40.800 -0.400 0.000 0.919 245 D HN 0.162 nan 8.370 nan 0.000 0.526 246 Y N 0.003 120.321 120.300 0.030 0.000 2.534 246 Y HA 0.361 4.911 4.550 0.000 0.000 0.329 246 Y C 1.604 177.517 175.900 0.021 0.000 1.154 246 Y CA -0.803 57.311 58.100 0.023 0.000 1.192 246 Y CB 1.475 39.947 38.460 0.020 0.000 1.275 246 Y HN -0.432 nan 8.280 nan 0.000 0.491 247 K N 0.429 120.943 120.400 0.189 0.000 2.308 247 K HA 0.069 4.389 4.320 0.001 0.000 0.197 247 K C -0.152 176.505 176.600 0.096 0.000 1.049 247 K CA 0.366 56.718 56.287 0.108 0.000 0.991 247 K CB 0.333 32.876 32.500 0.072 0.000 0.836 247 K HN 0.559 nan 8.250 nan 0.000 0.500 248 K N 2.130 122.594 120.400 0.107 0.000 2.118 248 K HA 0.325 4.645 4.320 0.001 0.000 0.254 248 K C -2.689 173.934 176.600 0.038 0.000 0.961 248 K CA -2.121 54.200 56.287 0.056 0.000 0.876 248 K CB 0.708 33.229 32.500 0.034 0.000 1.077 248 K HN -0.255 nan 8.250 nan 0.000 0.440 249 P HA -0.091 nan 4.420 nan 0.000 0.263 249 P C 0.567 177.852 177.300 -0.025 0.000 1.175 249 P CA -0.148 62.960 63.100 0.013 0.000 0.761 249 P CB 0.452 32.158 31.700 0.010 0.000 0.794 250 I N 2.413 122.976 120.570 -0.012 0.000 2.530 250 I HA -0.278 3.893 4.170 0.001 0.000 0.257 250 I C 2.393 178.496 176.117 -0.024 0.000 1.179 250 I CA 1.474 62.734 61.300 -0.066 0.000 1.440 250 I CB -0.603 37.397 38.000 -0.001 0.000 1.087 250 I HN 0.381 nan 8.210 nan 0.000 0.440 251 Q N -0.066 119.746 119.800 0.020 0.000 2.119 251 Q HA -0.222 4.118 4.340 0.001 0.000 0.201 251 Q C 1.801 177.779 176.000 -0.037 0.000 0.972 251 Q CA 1.677 57.487 55.803 0.012 0.000 0.847 251 Q CB -0.775 27.953 28.738 -0.017 0.000 0.903 251 Q HN 0.585 nan 8.270 nan 0.000 0.433 252 E N 0.856 121.025 120.200 -0.052 0.000 2.047 252 E HA -0.103 4.247 4.350 0.001 0.000 0.191 252 E C 2.344 178.892 176.600 -0.087 0.000 0.987 252 E CA 1.278 57.641 56.400 -0.061 0.000 0.799 252 E CB -0.015 29.657 29.700 -0.047 0.000 0.752 252 E HN 0.146 nan 8.360 nan 0.000 0.449 253 V N 1.891 121.717 119.914 -0.146 0.000 2.231 253 V HA -0.314 3.806 4.120 0.001 0.000 0.248 253 V C 2.442 178.435 176.094 -0.169 0.000 1.054 253 V CA 1.831 63.989 62.300 -0.236 0.000 1.015 253 V CB -0.616 30.887 31.823 -0.534 0.000 0.638 253 V HN 0.262 nan 8.190 nan 0.000 0.444 254 L N -0.457 120.681 121.223 -0.142 0.000 2.042 254 L HA -0.200 4.140 4.340 0.001 0.000 0.210 254 L C 2.631 179.469 176.870 -0.054 0.000 1.076 254 L CA 2.070 56.859 54.840 -0.083 0.000 0.749 254 L CB -1.080 40.963 42.059 -0.027 0.000 0.893 254 L HN 0.372 nan 8.230 nan 0.000 0.432 255 T N -1.015 113.506 114.554 -0.054 0.000 2.720 255 T HA -0.260 4.091 4.350 0.001 0.000 0.268 255 T C 1.788 176.460 174.700 -0.047 0.000 1.037 255 T CA 1.739 63.807 62.100 -0.053 0.000 1.144 255 T CB -0.122 68.709 68.868 -0.062 0.000 0.864 255 T HN 0.416 nan 8.240 nan 0.000 0.444 256 E N 0.597 120.768 120.200 -0.048 0.000 2.046 256 E HA -0.075 4.276 4.350 0.001 0.000 0.190 256 E C 2.229 178.813 176.600 -0.028 0.000 0.982 256 E CA 0.835 57.214 56.400 -0.035 0.000 0.800 256 E CB -0.160 29.520 29.700 -0.032 0.000 0.756 256 E HN 0.455 nan 8.360 nan 0.000 0.449 257 M N 0.692 120.270 119.600 -0.037 0.000 2.149 257 M HA -0.142 4.338 4.480 0.001 0.000 0.261 257 M C 2.181 178.472 176.300 -0.015 0.000 1.064 257 M CA 1.817 57.101 55.300 -0.026 0.000 1.102 257 M CB -0.141 32.433 32.600 -0.043 0.000 1.369 257 M HN 0.131 nan 8.290 nan 0.000 0.408 258 S N -1.135 114.555 115.700 -0.017 0.000 2.605 258 S HA 0.151 4.621 4.470 0.001 0.000 0.217 258 S C 0.281 174.878 174.600 -0.005 0.000 0.958 258 S CA -0.157 58.041 58.200 -0.005 0.000 0.919 258 S CB -0.649 62.549 63.200 -0.003 0.000 0.780 258 S HN 0.572 nan 8.310 nan 0.000 0.507 259 N N 0.884 119.577 118.700 -0.011 0.000 2.721 259 N HA -0.152 4.588 4.740 0.001 0.000 0.249 259 N C 0.606 176.105 175.510 -0.018 0.000 1.072 259 N CA 0.714 53.758 53.050 -0.010 0.000 0.710 259 N CB -1.391 37.096 38.487 0.000 0.000 0.993 259 N HN 0.800 nan 8.380 nan 0.000 0.547 260 G N -2.413 106.366 108.800 -0.035 0.000 2.870 260 G HA2 0.429 4.389 3.960 0.001 0.000 0.216 260 G HA3 0.429 4.389 3.960 0.001 0.000 0.216 260 G C 0.278 175.123 174.900 -0.093 0.000 0.973 260 G CA 0.088 45.152 45.100 -0.059 0.000 0.807 260 G HN 1.249 nan 8.290 nan 0.000 0.573 261 G N -1.115 107.643 108.800 -0.070 0.000 2.697 261 G HA2 0.447 4.407 3.960 0.001 0.000 0.684 261 G HA3 0.447 4.407 3.960 0.001 0.000 0.684 261 G C 0.090 174.956 174.900 -0.057 0.000 1.274 261 G CA 0.005 45.053 45.100 -0.086 0.000 0.806 261 G HN 1.845 nan 8.290 nan 0.000 0.644 262 V N -0.249 119.646 119.914 -0.032 0.000 3.096 262 V HA 0.432 4.552 4.120 0.001 0.000 0.306 262 V C 1.146 177.216 176.094 -0.039 0.000 1.088 262 V CA 0.972 63.275 62.300 0.005 0.000 1.129 262 V CB 1.278 33.135 31.823 0.057 0.000 1.014 262 V HN 0.730 nan 8.190 nan 0.000 0.486 263 D N 0.929 121.313 120.400 -0.027 0.000 2.137 263 D HA 0.090 4.731 4.640 0.001 0.000 0.202 263 D C -0.032 175.927 176.300 -0.568 0.000 0.970 263 D CA 1.823 55.681 54.000 -0.237 0.000 0.837 263 D CB 0.145 40.816 40.800 -0.216 0.000 0.981 263 D HN 0.594 nan 8.370 nan 0.000 0.475 264 F N 0.230 120.192 119.950 0.019 0.000 2.562 264 F HA 0.210 4.738 4.527 0.001 0.000 0.319 264 F C 0.240 175.945 175.800 -0.158 0.000 1.154 264 F CA -0.961 56.972 58.000 -0.112 0.000 0.931 264 F CB 1.860 40.835 39.000 -0.041 0.000 1.198 264 F HN -0.305 nan 8.300 nan 0.000 0.444 265 S N 1.898 117.500 115.700 -0.163 0.000 2.681 265 S HA 0.890 5.361 4.470 0.001 0.000 0.299 265 S C -1.150 173.200 174.600 -0.417 0.000 1.113 265 S CA -0.588 57.573 58.200 -0.064 0.000 1.013 265 S CB 1.796 64.990 63.200 -0.008 0.000 1.076 265 S HN 0.347 nan 8.310 nan 0.000 0.534 266 F N -0.307 119.756 119.950 0.189 0.000 2.601 266 F HA 0.525 5.053 4.527 0.001 0.000 0.309 266 F C -0.050 175.837 175.800 0.146 0.000 1.089 266 F CA -0.617 57.471 58.000 0.146 0.000 0.940 266 F CB 2.111 41.192 39.000 0.135 0.000 1.273 266 F HN 0.603 nan 8.300 nan 0.000 0.450 267 E N 2.290 122.647 120.200 0.262 0.000 2.186 267 E HA 0.465 4.816 4.350 0.001 0.000 0.255 267 E C -1.465 175.255 176.600 0.200 0.000 0.881 267 E CA -0.256 56.247 56.400 0.172 0.000 0.752 267 E CB 1.811 31.537 29.700 0.043 0.000 1.176 267 E HN 0.486 nan 8.360 nan 0.000 0.421 268 V N 6.511 126.559 119.914 0.224 0.000 2.592 268 V HA 0.315 4.436 4.120 0.001 0.000 0.278 268 V C 0.696 176.891 176.094 0.170 0.000 1.087 268 V CA -0.047 62.358 62.300 0.176 0.000 1.282 268 V CB -0.380 31.534 31.823 0.151 0.000 1.543 268 V HN 0.625 nan 8.190 nan 0.000 0.606 269 I N 0.520 121.190 120.570 0.166 0.000 3.626 269 I HA 0.596 4.766 4.170 0.001 0.000 0.256 269 I C 1.560 177.773 176.117 0.160 0.000 1.105 269 I CA 0.568 61.967 61.300 0.164 0.000 1.656 269 I CB 0.707 38.809 38.000 0.170 0.000 1.672 269 I HN 0.460 nan 8.210 nan 0.000 0.421 270 G N 2.195 111.066 108.800 0.119 0.000 2.157 270 G HA2 -0.082 3.878 3.960 0.001 0.000 0.114 270 G HA3 -0.082 3.878 3.960 0.001 0.000 0.114 270 G C -0.221 174.701 174.900 0.038 0.000 1.041 270 G CA -0.689 44.455 45.100 0.074 0.000 0.714 270 G HN 0.188 nan 8.290 nan 0.000 0.492 271 R N -0.180 120.352 120.500 0.055 0.000 2.514 271 R HA 0.655 4.996 4.340 0.001 0.000 0.301 271 R C 1.530 177.851 176.300 0.035 0.000 0.962 271 R CA -0.905 55.221 56.100 0.044 0.000 0.882 271 R CB 1.416 31.755 30.300 0.065 0.000 1.143 271 R HN 0.089 nan 8.270 nan 0.000 0.452 272 L N 1.859 123.099 121.223 0.027 0.000 2.012 272 L HA -0.265 4.076 4.340 0.001 0.000 0.210 272 L C 2.010 178.905 176.870 0.043 0.000 1.073 272 L CA 1.646 56.506 54.840 0.033 0.000 0.748 272 L CB -0.488 41.586 42.059 0.025 0.000 0.891 272 L HN 0.787 nan 8.230 nan 0.000 0.431 273 D N -0.512 119.909 120.400 0.035 0.000 2.178 273 D HA -0.192 4.449 4.640 0.001 0.000 0.201 273 D C 1.797 178.103 176.300 0.011 0.000 0.980 273 D CA 2.015 56.032 54.000 0.028 0.000 0.842 273 D CB -0.537 40.285 40.800 0.036 0.000 0.948 273 D HN 0.442 nan 8.370 nan 0.000 0.472 274 T N -1.377 113.187 114.554 0.015 0.000 3.023 274 T HA 0.029 4.380 4.350 0.001 0.000 0.266 274 T C 2.240 176.843 174.700 -0.162 0.000 1.093 274 T CA 0.428 62.502 62.100 -0.044 0.000 1.129 274 T CB -0.215 68.682 68.868 0.049 0.000 0.899 274 T HN 0.098 nan 8.240 nan 0.000 0.491 275 M N 0.884 120.466 119.600 -0.030 0.000 2.123 275 M HA 0.006 4.487 4.480 0.001 0.000 0.263 275 M C 2.481 178.810 176.300 0.047 0.000 1.069 275 M CA 1.142 56.481 55.300 0.065 0.000 1.133 275 M CB -0.556 32.153 32.600 0.182 0.000 1.356 275 M HN 0.103 nan 8.290 nan 0.000 0.415 276 V N 0.137 120.066 119.914 0.025 0.000 2.295 276 V HA -0.247 3.874 4.120 0.001 0.000 0.246 276 V C 2.365 178.330 176.094 -0.215 0.000 1.049 276 V CA 2.306 64.537 62.300 -0.115 0.000 1.024 276 V CB -1.158 30.636 31.823 -0.049 0.000 0.648 276 V HN 0.504 nan 8.190 nan 0.000 0.447 277 T N 0.527 114.979 114.554 -0.171 0.000 2.684 277 T HA -0.210 4.141 4.350 0.001 0.000 0.267 277 T C 2.081 176.585 174.700 -0.327 0.000 1.036 277 T CA 1.768 63.762 62.100 -0.177 0.000 1.148 277 T CB -0.515 68.310 68.868 -0.070 0.000 0.863 277 T HN 0.579 nan 8.240 nan 0.000 0.436 278 A N 1.224 123.680 122.820 -0.608 0.000 1.908 278 A HA -0.064 4.257 4.320 0.001 0.000 0.218 278 A C 2.267 179.623 177.584 -0.380 0.000 1.181 278 A CA 1.617 53.188 52.037 -0.777 0.000 0.627 278 A CB -0.849 17.696 19.000 -0.758 0.000 0.818 278 A HN 0.436 nan 8.150 nan 0.000 0.445 279 L N 0.091 121.075 121.223 -0.399 0.000 1.994 279 L HA -0.121 4.220 4.340 0.001 0.000 0.208 279 L C 2.509 179.140 176.870 -0.397 0.000 1.071 279 L CA 2.768 57.291 54.840 -0.529 0.000 0.745 279 L CB -0.762 40.678 42.059 -1.031 0.000 0.892 279 L HN 0.294 nan 8.230 nan 0.000 0.431 280 S N -0.552 114.945 115.700 -0.339 0.000 2.374 280 S HA -0.291 4.179 4.470 0.001 0.000 0.227 280 S C 2.208 176.706 174.600 -0.170 0.000 1.037 280 S CA 1.515 59.573 58.200 -0.237 0.000 1.024 280 S CB -1.377 61.717 63.200 -0.178 0.000 0.861 280 S HN 0.841 nan 8.310 nan 0.000 0.456 281 C N 2.495 121.721 119.300 -0.122 0.000 2.437 281 C HA 0.124 4.585 4.460 0.001 0.000 0.283 281 C C 1.669 176.618 174.990 -0.069 0.000 1.424 281 C CA -0.948 58.045 59.018 -0.041 0.000 1.782 281 C CB -2.424 25.383 27.740 0.111 0.000 1.833 281 C HN 0.701 nan 8.230 nan 0.000 0.532 282 C N 0.518 119.739 119.300 -0.132 0.000 2.459 282 C HA 0.435 4.895 4.460 0.001 0.000 0.374 282 C C 0.547 175.411 174.990 -0.209 0.000 1.241 282 C CA -0.741 58.185 59.018 -0.153 0.000 2.352 282 C CB 0.157 27.788 27.740 -0.181 0.000 2.490 282 C HN 0.640 nan 8.230 nan 0.000 0.583 283 Q N 1.832 121.479 119.800 -0.254 0.000 2.247 283 Q HA -0.016 4.324 4.340 0.001 0.000 0.288 283 Q C 1.477 177.212 176.000 -0.442 0.000 1.079 283 Q CA 1.008 56.572 55.803 -0.399 0.000 0.932 283 Q CB 0.669 29.025 28.738 -0.638 0.000 1.133 283 Q HN 1.041 nan 8.270 nan 0.000 0.377 284 E N 3.221 123.210 120.200 -0.352 0.000 2.171 284 E HA -0.236 4.115 4.350 0.001 0.000 0.197 284 E C 0.999 177.427 176.600 -0.286 0.000 0.997 284 E CA 1.619 57.850 56.400 -0.281 0.000 0.810 284 E CB -0.090 29.485 29.700 -0.209 0.000 0.738 284 E HN 0.569 nan 8.360 nan 0.000 0.467 285 A N -0.117 122.459 122.820 -0.406 0.000 2.238 285 A HA 0.102 4.423 4.320 0.001 0.000 0.210 285 A C 0.578 178.068 177.584 -0.157 0.000 1.179 285 A CA 0.542 52.418 52.037 -0.269 0.000 0.827 285 A CB -0.215 18.673 19.000 -0.188 0.000 0.856 285 A HN 0.614 nan 8.150 nan 0.000 0.488 286 Y N -4.524 115.707 120.300 -0.116 0.000 3.159 286 Y HA 0.410 4.961 4.550 0.001 0.000 0.294 286 Y C 0.250 176.022 175.900 -0.212 0.000 1.027 286 Y CA -1.348 56.670 58.100 -0.136 0.000 1.298 286 Y CB -0.846 37.540 38.460 -0.123 0.000 1.336 286 Y HN 0.068 nan 8.280 nan 0.000 0.597 287 G N 1.388 110.083 108.800 -0.174 0.000 2.390 287 G HA2 0.529 4.490 3.960 0.001 0.000 0.270 287 G HA3 0.529 4.490 3.960 0.001 0.000 0.270 287 G C -0.901 173.888 174.900 -0.184 0.000 1.211 287 G CA -0.474 44.499 45.100 -0.211 0.000 0.842 287 G HN 0.122 nan 8.290 nan 0.000 0.519 288 V N 1.231 121.012 119.914 -0.222 0.000 2.472 288 V HA 0.607 4.727 4.120 0.001 0.000 0.290 288 V C 0.325 176.363 176.094 -0.093 0.000 1.037 288 V CA -0.603 61.661 62.300 -0.061 0.000 0.908 288 V CB 1.644 33.557 31.823 0.150 0.000 0.985 288 V HN 0.716 nan 8.190 nan 0.000 0.454 289 S N 3.559 119.228 115.700 -0.053 0.000 2.605 289 S HA 0.705 5.175 4.470 0.001 0.000 0.308 289 S C -0.967 173.658 174.600 0.042 0.000 1.113 289 S CA -0.458 57.694 58.200 -0.080 0.000 1.049 289 S CB 1.373 64.513 63.200 -0.099 0.000 1.001 289 S HN 0.471 nan 8.310 nan 0.000 0.480 290 V N 6.700 126.536 119.914 -0.129 0.000 2.384 290 V HA 0.511 4.632 4.120 0.001 0.000 0.287 290 V C -0.134 176.011 176.094 0.085 0.000 1.020 290 V CA -0.681 61.617 62.300 -0.004 0.000 0.850 290 V CB 1.361 33.197 31.823 0.022 0.000 0.987 290 V HN 0.818 nan 8.190 nan 0.000 0.436 291 I N 4.395 125.001 120.570 0.060 0.000 2.396 291 I HA 0.335 4.506 4.170 0.001 0.000 0.292 291 I C 0.635 176.782 176.117 0.050 0.000 0.999 291 I CA -0.062 61.270 61.300 0.053 0.000 1.310 291 I CB 1.726 39.700 38.000 -0.042 0.000 1.404 291 I HN 0.384 nan 8.210 nan 0.000 0.496 292 V N 4.017 123.982 119.914 0.086 0.000 3.250 292 V HA 0.159 4.280 4.120 0.001 0.000 0.240 292 V C 1.169 177.308 176.094 0.075 0.000 1.275 292 V CA 0.203 62.553 62.300 0.083 0.000 1.206 292 V CB 0.490 32.384 31.823 0.119 0.000 0.976 292 V HN 0.884 nan 8.190 nan 0.000 0.467 293 G N 1.418 110.272 108.800 0.091 0.000 2.272 293 G HA2 0.305 4.265 3.960 0.001 0.000 0.247 293 G HA3 0.305 4.265 3.960 0.001 0.000 0.247 293 G C -0.207 174.729 174.900 0.059 0.000 1.272 293 G CA 0.157 45.319 45.100 0.103 0.000 0.921 293 G HN 0.122 nan 8.290 nan 0.000 0.495 294 V N 6.687 126.651 119.914 0.085 0.000 2.521 294 V HA 0.138 4.258 4.120 0.001 0.000 0.286 294 V C -1.092 174.946 176.094 -0.093 0.000 1.034 294 V CA -0.931 61.371 62.300 0.003 0.000 1.045 294 V CB 1.069 32.927 31.823 0.058 0.000 0.974 294 V HN 0.706 nan 8.190 nan 0.000 0.480 295 P HA 0.318 nan 4.420 nan 0.000 0.276 295 P C -2.850 174.375 177.300 -0.125 0.000 1.244 295 P CA -2.237 60.808 63.100 -0.092 0.000 0.801 295 P CB 0.369 32.029 31.700 -0.067 0.000 1.006 296 P HA 0.056 nan 4.420 nan 0.000 0.266 296 P C -0.249 177.014 177.300 -0.062 0.000 1.215 296 P CA 0.371 63.415 63.100 -0.093 0.000 0.763 296 P CB -0.327 31.339 31.700 -0.056 0.000 0.806 297 D N 3.250 123.617 120.400 -0.056 0.000 2.923 297 D HA -0.136 4.504 4.640 0.001 0.000 0.220 297 D C 0.084 176.370 176.300 -0.023 0.000 1.099 297 D CA 1.319 55.300 54.000 -0.031 0.000 0.807 297 D CB -0.139 40.650 40.800 -0.017 0.000 1.155 297 D HN 0.311 nan 8.370 nan 0.000 0.524 298 S N 0.937 116.625 115.700 -0.021 0.000 3.380 298 S HA -0.274 4.196 4.470 0.001 0.000 0.300 298 S C -0.108 174.482 174.600 -0.017 0.000 1.255 298 S CA 0.683 58.873 58.200 -0.016 0.000 0.963 298 S CB -1.298 61.896 63.200 -0.010 0.000 1.106 298 S HN 0.775 nan 8.310 nan 0.000 0.629 299 Q N 1.334 121.122 119.800 -0.021 0.000 2.331 299 Q HA 0.310 4.650 4.340 0.001 0.000 0.257 299 Q C 0.048 176.038 176.000 -0.017 0.000 0.957 299 Q CA -0.210 55.584 55.803 -0.016 0.000 0.923 299 Q CB 0.620 29.349 28.738 -0.016 0.000 1.212 299 Q HN 0.429 nan 8.270 nan 0.000 0.443 300 N N 2.577 121.271 118.700 -0.010 0.000 2.529 300 N HA 0.193 4.933 4.740 0.001 0.000 0.278 300 N C -0.457 175.056 175.510 0.005 0.000 1.146 300 N CA -0.312 52.733 53.050 -0.008 0.000 0.980 300 N CB 0.819 39.304 38.487 -0.004 0.000 1.124 300 N HN 0.303 nan 8.380 nan 0.000 0.458 301 L N -0.420 120.812 121.223 0.015 0.000 2.431 301 L HA 0.645 4.986 4.340 0.001 0.000 0.260 301 L C 0.313 177.215 176.870 0.053 0.000 1.098 301 L CA -0.510 54.356 54.840 0.044 0.000 0.800 301 L CB 0.867 42.975 42.059 0.081 0.000 1.210 301 L HN 0.280 nan 8.230 nan 0.000 0.465 302 S N 1.133 116.868 115.700 0.058 0.000 2.594 302 S HA 0.890 5.360 4.470 0.001 0.000 0.296 302 S C -0.780 173.849 174.600 0.048 0.000 1.124 302 S CA -0.606 57.621 58.200 0.046 0.000 1.011 302 S CB 0.611 63.826 63.200 0.025 0.000 1.016 302 S HN 0.892 nan 8.310 nan 0.000 0.485 303 M N 3.016 122.645 119.600 0.049 0.000 2.534 303 M HA 0.516 4.996 4.480 0.001 0.000 0.280 303 M C -1.096 175.202 176.300 -0.002 0.000 1.217 303 M CA -0.562 54.746 55.300 0.013 0.000 0.893 303 M CB 0.837 33.444 32.600 0.012 0.000 1.730 303 M HN 0.437 nan 8.290 nan 0.000 0.483 304 N N 2.993 121.669 118.700 -0.040 0.000 2.405 304 N HA 0.337 5.077 4.740 0.001 0.000 0.260 304 N C -1.688 173.794 175.510 -0.047 0.000 1.152 304 N CA -1.594 51.433 53.050 -0.039 0.000 0.948 304 N CB 1.049 39.505 38.487 -0.052 0.000 1.111 304 N HN 0.534 nan 8.380 nan 0.000 0.485 305 P HA -0.177 nan 4.420 nan 0.000 0.229 305 P C 1.151 178.430 177.300 -0.034 0.000 1.150 305 P CA 0.732 63.826 63.100 -0.009 0.000 0.765 305 P CB 0.205 31.913 31.700 0.014 0.000 0.783 306 M N -0.681 118.891 119.600 -0.047 0.000 2.374 306 M HA -0.031 4.449 4.480 0.001 0.000 0.264 306 M C 2.017 178.267 176.300 -0.083 0.000 1.067 306 M CA 0.883 56.150 55.300 -0.055 0.000 1.103 306 M CB -1.192 31.377 32.600 -0.052 0.000 1.402 306 M HN 0.006 nan 8.290 nan 0.000 0.444 307 L N -0.664 120.491 121.223 -0.114 0.000 2.131 307 L HA -0.244 4.096 4.340 0.001 0.000 0.210 307 L C 2.153 178.927 176.870 -0.160 0.000 1.092 307 L CA 0.959 55.699 54.840 -0.167 0.000 0.759 307 L CB -0.490 41.421 42.059 -0.248 0.000 0.903 307 L HN 0.288 nan 8.230 nan 0.000 0.435 308 L N -1.277 119.878 121.223 -0.114 0.000 2.102 308 L HA -0.163 4.178 4.340 0.001 0.000 0.202 308 L C 2.449 179.288 176.870 -0.053 0.000 1.076 308 L CA 0.667 55.465 54.840 -0.069 0.000 0.761 308 L CB -0.485 41.571 42.059 -0.005 0.000 0.921 308 L HN 0.174 nan 8.230 nan 0.000 0.444 309 L N 0.355 121.551 121.223 -0.044 0.000 2.064 309 L HA -0.308 4.032 4.340 0.001 0.000 0.216 309 L C 2.902 179.745 176.870 -0.046 0.000 1.077 309 L CA 2.009 56.827 54.840 -0.036 0.000 0.766 309 L CB -0.450 41.589 42.059 -0.033 0.000 0.890 309 L HN 0.490 nan 8.230 nan 0.000 0.435 310 S N -1.186 114.474 115.700 -0.067 0.000 2.400 310 S HA -0.081 4.390 4.470 0.001 0.000 0.232 310 S C 1.434 175.988 174.600 -0.076 0.000 1.025 310 S CA 1.024 59.177 58.200 -0.078 0.000 0.993 310 S CB 0.002 63.138 63.200 -0.108 0.000 0.808 310 S HN 0.608 nan 8.310 nan 0.000 0.478 311 G N 0.301 109.057 108.800 -0.075 0.000 2.407 311 G HA2 -0.051 3.910 3.960 0.001 0.000 0.210 311 G HA3 -0.051 3.910 3.960 0.001 0.000 0.210 311 G C -0.120 174.739 174.900 -0.068 0.000 1.015 311 G CA -0.778 44.289 45.100 -0.056 0.000 0.807 311 G HN 0.407 nan 8.290 nan 0.000 0.539 312 R N 0.757 121.198 120.500 -0.099 0.000 2.490 312 R HA 0.514 4.854 4.340 0.001 0.000 0.280 312 R C -0.397 175.874 176.300 -0.047 0.000 1.077 312 R CA 0.207 56.238 56.100 -0.115 0.000 1.065 312 R CB 0.717 30.902 30.300 -0.192 0.000 1.003 312 R HN 0.103 nan 8.270 nan 0.000 0.470 313 T N 2.916 117.457 114.554 -0.022 0.000 2.743 313 T HA 0.150 4.501 4.350 0.001 0.000 0.292 313 T C -1.094 173.682 174.700 0.127 0.000 0.972 313 T CA -0.396 61.735 62.100 0.052 0.000 0.967 313 T CB 0.461 69.358 68.868 0.049 0.000 0.926 313 T HN 0.355 nan 8.240 nan 0.000 0.459 314 W N 6.110 127.377 121.300 -0.055 0.000 2.475 314 W HA 0.579 5.239 4.660 0.000 0.000 0.317 314 W C -0.353 176.134 176.519 -0.052 0.000 1.046 314 W CA -1.660 55.647 57.345 -0.065 0.000 1.215 314 W CB 0.709 30.131 29.460 -0.065 0.000 1.335 314 W HN 0.594 nan 8.180 nan 0.000 0.471 315 K N 4.066 124.534 120.400 0.114 0.000 2.556 315 K HA 0.864 5.184 4.320 0.001 0.000 0.274 315 K C -0.668 175.867 176.600 -0.108 0.000 0.966 315 K CA -0.913 55.341 56.287 -0.056 0.000 0.865 315 K CB 1.623 34.124 32.500 0.001 0.000 1.444 315 K HN 0.528 nan 8.250 nan 0.000 0.433 316 G N -0.170 108.541 108.800 -0.147 0.000 3.042 316 G HA2 0.865 4.826 3.960 0.001 0.000 0.278 316 G HA3 0.865 4.826 3.960 0.001 0.000 0.278 316 G C -1.533 173.308 174.900 -0.098 0.000 1.371 316 G CA -0.626 44.397 45.100 -0.128 0.000 1.009 316 G HN 0.856 nan 8.290 nan 0.000 0.523 317 A N -0.936 121.832 122.820 -0.087 0.000 2.601 317 A HA 0.666 4.986 4.320 0.001 0.000 0.291 317 A C -1.859 175.684 177.584 -0.069 0.000 1.075 317 A CA -0.484 51.503 52.037 -0.082 0.000 0.671 317 A CB 1.300 20.271 19.000 -0.048 0.000 1.277 317 A HN 0.686 nan 8.150 nan 0.000 0.417 318 I N 0.964 121.502 120.570 -0.053 0.000 2.447 318 I HA 0.476 4.647 4.170 0.001 0.000 0.287 318 I C 0.061 176.343 176.117 0.276 0.000 1.023 318 I CA -0.058 61.281 61.300 0.066 0.000 1.083 318 I CB 0.998 38.909 38.000 -0.148 0.000 1.245 318 I HN 1.003 nan 8.210 nan 0.000 0.434 319 F N 5.828 125.910 119.950 0.221 0.000 3.018 319 F HA -0.229 4.298 4.527 0.001 0.000 0.287 319 F C 1.207 177.109 175.800 0.170 0.000 0.813 319 F CA 0.990 59.117 58.000 0.210 0.000 1.209 319 F CB -1.220 37.731 39.000 -0.082 0.000 1.321 319 F HN 0.909 nan 8.300 nan 0.000 0.477 320 G N 0.023 108.830 108.800 0.013 0.000 2.225 320 G HA2 0.127 4.088 3.960 0.001 0.000 0.267 320 G HA3 0.127 4.088 3.960 0.001 0.000 0.267 320 G C 2.216 176.852 174.900 -0.439 0.000 1.024 320 G CA 1.154 46.121 45.100 -0.221 0.000 0.784 320 G HN 2.327 nan 8.290 nan 0.000 0.507 321 G N -2.116 106.564 108.800 -0.200 0.000 2.168 321 G HA2 -0.229 3.732 3.960 0.001 0.000 0.263 321 G HA3 -0.229 3.732 3.960 0.001 0.000 0.263 321 G C 0.323 175.114 174.900 -0.181 0.000 0.977 321 G CA 0.586 45.575 45.100 -0.184 0.000 0.659 321 G HN 1.190 nan 8.290 nan 0.000 0.533 322 F N 1.270 121.185 119.950 -0.058 0.000 2.438 322 F HA 0.418 4.945 4.527 0.001 0.000 0.356 322 F C 1.261 177.144 175.800 0.137 0.000 1.099 322 F CA -0.583 57.390 58.000 -0.046 0.000 1.185 322 F CB 0.992 39.803 39.000 -0.316 0.000 1.115 322 F HN -0.098 nan 8.300 nan 0.000 0.526 323 K N 3.342 123.939 120.400 0.329 0.000 2.237 323 K HA 0.057 4.377 4.320 0.001 0.000 0.283 323 K C 1.288 178.047 176.600 0.265 0.000 1.080 323 K CA 0.137 56.566 56.287 0.237 0.000 0.965 323 K CB 0.295 32.892 32.500 0.161 0.000 1.098 323 K HN 0.868 nan 8.250 nan 0.000 0.434 324 S N 3.196 119.080 115.700 0.307 0.000 2.432 324 S HA -0.391 4.079 4.470 0.001 0.000 0.266 324 S C 1.930 176.619 174.600 0.148 0.000 1.076 324 S CA 1.872 60.224 58.200 0.254 0.000 1.320 324 S CB -0.390 62.731 63.200 -0.132 0.000 1.222 324 S HN 0.648 nan 8.310 nan 0.000 0.439 325 K N 1.422 121.855 120.400 0.054 0.000 2.173 325 K HA -0.171 4.150 4.320 0.001 0.000 0.207 325 K C 1.575 178.208 176.600 0.054 0.000 1.046 325 K CA 2.102 58.411 56.287 0.036 0.000 0.929 325 K CB -0.436 32.072 32.500 0.012 0.000 0.720 325 K HN 0.571 nan 8.250 nan 0.000 0.453 326 D N -1.298 119.147 120.400 0.075 0.000 2.197 326 D HA 0.015 4.656 4.640 0.001 0.000 0.212 326 D C 1.863 178.204 176.300 0.068 0.000 0.963 326 D CA 1.049 55.090 54.000 0.069 0.000 0.864 326 D CB -0.178 40.667 40.800 0.075 0.000 1.009 326 D HN 0.082 nan 8.370 nan 0.000 0.479 327 S N 0.401 116.154 115.700 0.087 0.000 2.368 327 S HA -0.080 4.390 4.470 0.001 0.000 0.224 327 S C 2.372 176.924 174.600 -0.081 0.000 1.029 327 S CA 0.478 58.674 58.200 -0.007 0.000 0.988 327 S CB -0.338 62.850 63.200 -0.020 0.000 0.838 327 S HN 0.035 nan 8.310 nan 0.000 0.462 328 V N 3.140 123.068 119.914 0.024 0.000 2.250 328 V HA -0.180 3.941 4.120 0.001 0.000 0.250 328 V C -0.613 175.504 176.094 0.037 0.000 1.060 328 V CA 2.077 64.411 62.300 0.057 0.000 1.030 328 V CB -1.798 30.108 31.823 0.139 0.000 0.643 328 V HN 0.339 nan 8.190 nan 0.000 0.445 329 P HA -0.154 nan 4.420 nan 0.000 0.215 329 P C 1.613 178.934 177.300 0.035 0.000 1.157 329 P CA 1.497 64.618 63.100 0.036 0.000 0.868 329 P CB -0.080 31.640 31.700 0.032 0.000 0.788 330 K N -0.715 119.702 120.400 0.028 0.000 2.097 330 K HA -0.078 4.242 4.320 0.001 0.000 0.206 330 K C 2.071 178.708 176.600 0.062 0.000 1.049 330 K CA 1.090 57.399 56.287 0.037 0.000 0.933 330 K CB -0.682 31.841 32.500 0.038 0.000 0.717 330 K HN 0.163 nan 8.250 nan 0.000 0.442 331 L N 0.471 121.722 121.223 0.047 0.000 2.056 331 L HA -0.170 4.171 4.340 0.001 0.000 0.207 331 L C 2.332 179.352 176.870 0.251 0.000 1.078 331 L CA 0.785 55.721 54.840 0.162 0.000 0.749 331 L CB -0.407 41.659 42.059 0.011 0.000 0.901 331 L HN -0.018 nan 8.230 nan 0.000 0.433 332 V N 0.103 120.100 119.914 0.138 0.000 2.295 332 V HA -0.295 3.826 4.120 0.001 0.000 0.246 332 V C 2.748 178.889 176.094 0.077 0.000 1.049 332 V CA 1.854 64.227 62.300 0.121 0.000 1.024 332 V CB -0.807 31.063 31.823 0.078 0.000 0.648 332 V HN 0.483 nan 8.190 nan 0.000 0.447 333 A N -0.341 122.504 122.820 0.041 0.000 1.933 333 A HA -0.256 4.065 4.320 0.001 0.000 0.218 333 A C 1.964 179.516 177.584 -0.054 0.000 1.175 333 A CA 2.048 54.083 52.037 -0.003 0.000 0.628 333 A CB -0.585 18.419 19.000 0.006 0.000 0.814 333 A HN 0.540 nan 8.150 nan 0.000 0.444 334 D N -1.427 118.951 120.400 -0.037 0.000 2.178 334 D HA -0.079 4.561 4.640 0.001 0.000 0.202 334 D C 1.504 177.522 176.300 -0.471 0.000 0.974 334 D CA 0.880 54.798 54.000 -0.135 0.000 0.841 334 D CB -0.316 40.523 40.800 0.064 0.000 0.953 334 D HN 0.465 nan 8.370 nan 0.000 0.478 335 F N 1.069 120.579 119.950 -0.732 0.000 2.163 335 F HA -0.117 4.410 4.527 0.001 0.000 0.297 335 F C 2.043 177.567 175.800 -0.461 0.000 1.094 335 F CA 0.955 58.390 58.000 -0.941 0.000 1.290 335 F CB -0.144 38.470 39.000 -0.643 0.000 1.017 335 F HN -0.188 nan 8.300 nan 0.000 0.483 336 M N 0.383 119.777 119.600 -0.344 0.000 2.202 336 M HA -0.095 4.385 4.480 0.001 0.000 0.262 336 M C 2.212 178.317 176.300 -0.325 0.000 1.063 336 M CA 1.502 56.612 55.300 -0.316 0.000 1.097 336 M CB -2.060 30.458 32.600 -0.137 0.000 1.382 336 M HN 0.299 nan 8.290 nan 0.000 0.413 337 A N -0.507 122.139 122.820 -0.289 0.000 2.278 337 A HA 0.041 4.361 4.320 0.001 0.000 0.212 337 A C 0.780 178.199 177.584 -0.274 0.000 1.213 337 A CA 0.047 51.949 52.037 -0.225 0.000 0.840 337 A CB -0.273 18.639 19.000 -0.147 0.000 0.866 337 A HN 0.477 nan 8.150 nan 0.000 0.489 338 K N -0.752 119.388 120.400 -0.433 0.000 3.096 338 K HA -0.162 4.158 4.320 0.001 0.000 0.266 338 K C 0.197 176.622 176.600 -0.292 0.000 1.043 338 K CA 0.812 56.843 56.287 -0.428 0.000 0.758 338 K CB -1.091 31.226 32.500 -0.304 0.000 1.260 338 K HN 0.444 nan 8.250 nan 0.000 0.481 339 K N -0.191 120.002 120.400 -0.345 0.000 2.243 339 K HA 0.029 4.350 4.320 0.001 0.000 0.201 339 K C 1.053 177.667 176.600 0.024 0.000 1.051 339 K CA 1.187 57.399 56.287 -0.125 0.000 0.970 339 K CB -0.022 32.456 32.500 -0.036 0.000 0.755 339 K HN 0.405 nan 8.250 nan 0.000 0.465 340 F N -1.961 117.995 119.950 0.009 0.000 2.662 340 F HA 0.707 5.234 4.527 0.001 0.000 0.312 340 F C -1.197 174.644 175.800 0.069 0.000 1.113 340 F CA -2.161 55.855 58.000 0.026 0.000 0.951 340 F CB 0.800 39.764 39.000 -0.059 0.000 1.344 340 F HN -0.212 nan 8.300 nan 0.000 0.462 341 A N 1.497 124.535 122.820 0.363 0.000 2.324 341 A HA 0.774 5.095 4.320 0.001 0.000 0.330 341 A C -0.422 177.295 177.584 0.221 0.000 1.165 341 A CA -0.655 51.575 52.037 0.321 0.000 0.813 341 A CB 1.197 20.311 19.000 0.190 0.000 1.197 341 A HN 1.016 nan 8.150 nan 0.000 0.484 342 L N 0.323 121.616 121.223 0.116 0.000 2.642 342 L HA 0.089 4.430 4.340 0.001 0.000 0.233 342 L C 1.157 178.002 176.870 -0.042 0.000 1.077 342 L CA 0.155 54.900 54.840 -0.158 0.000 0.879 342 L CB 0.051 41.743 42.059 -0.611 0.000 1.151 342 L HN 0.731 nan 8.230 nan 0.000 0.495 343 D N 1.115 121.543 120.400 0.047 0.000 2.123 343 D HA -0.148 4.493 4.640 0.001 0.000 0.196 343 D C -0.723 175.602 176.300 0.040 0.000 0.992 343 D CA 1.377 55.405 54.000 0.047 0.000 0.833 343 D CB -1.076 39.770 40.800 0.076 0.000 0.954 343 D HN 0.246 nan 8.370 nan 0.000 0.455 344 P HA -0.044 nan 4.420 nan 0.000 0.226 344 P C 1.457 178.789 177.300 0.053 0.000 1.146 344 P CA 0.650 63.784 63.100 0.056 0.000 0.773 344 P CB -0.002 31.744 31.700 0.076 0.000 0.772 345 L N -1.857 119.394 121.223 0.048 0.000 2.249 345 L HA 0.085 4.426 4.340 0.001 0.000 0.207 345 L C 1.056 177.948 176.870 0.036 0.000 1.090 345 L CA 0.189 55.059 54.840 0.049 0.000 0.802 345 L CB -0.254 41.837 42.059 0.053 0.000 0.947 345 L HN -0.123 nan 8.230 nan 0.000 0.453 346 I N 0.349 120.932 120.570 0.021 0.000 2.379 346 I HA 0.009 4.180 4.170 0.001 0.000 0.290 346 I C 1.255 177.376 176.117 0.007 0.000 1.063 346 I CA 0.036 61.346 61.300 0.017 0.000 1.351 346 I CB 1.198 39.200 38.000 0.004 0.000 1.410 346 I HN 0.129 nan 8.210 nan 0.000 0.505 347 T N 0.645 115.214 114.554 0.024 0.000 2.999 347 T HA 0.203 4.553 4.350 0.001 0.000 0.247 347 T C 0.410 174.948 174.700 -0.269 0.000 1.012 347 T CA 0.136 62.198 62.100 -0.064 0.000 1.048 347 T CB 0.060 68.961 68.868 0.055 0.000 1.020 347 T HN 0.526 nan 8.240 nan 0.000 0.478 348 H N -0.245 118.809 119.070 -0.027 0.000 2.851 348 H HA 0.762 5.318 4.556 0.001 0.000 0.372 348 H C -1.428 173.877 175.328 -0.038 0.000 1.158 348 H CA -0.790 55.237 56.048 -0.034 0.000 1.159 348 H CB 2.361 32.095 29.762 -0.047 0.000 1.757 348 H HN 0.057 nan 8.280 nan 0.000 0.546 349 V N 3.727 123.686 119.914 0.075 0.000 2.525 349 V HA 0.460 4.580 4.120 0.001 0.000 0.299 349 V C -0.807 175.296 176.094 0.015 0.000 1.034 349 V CA -0.599 61.718 62.300 0.028 0.000 0.863 349 V CB 1.517 33.347 31.823 0.011 0.000 0.999 349 V HN 0.495 nan 8.190 nan 0.000 0.423 350 L N 6.047 127.261 121.223 -0.015 0.000 2.434 350 L HA 0.625 4.965 4.340 0.001 0.000 0.260 350 L C -2.582 174.247 176.870 -0.069 0.000 0.983 350 L CA -1.845 52.971 54.840 -0.040 0.000 0.820 350 L CB 3.503 45.524 42.059 -0.062 0.000 1.361 350 L HN 0.386 nan 8.230 nan 0.000 0.410 351 P HA -0.002 nan 4.420 nan 0.000 0.272 351 P C 0.668 177.884 177.300 -0.140 0.000 1.230 351 P CA -0.262 62.794 63.100 -0.074 0.000 0.788 351 P CB 0.776 32.454 31.700 -0.036 0.000 0.949 352 F N 1.986 121.703 119.950 -0.389 0.000 2.147 352 F HA -0.255 4.272 4.527 0.001 0.000 0.301 352 F C 1.791 177.408 175.800 -0.305 0.000 1.084 352 F CA 2.015 59.698 58.000 -0.529 0.000 1.268 352 F CB -0.709 37.806 39.000 -0.809 0.000 1.009 352 F HN 0.292 nan 8.300 nan 0.000 0.486 353 E N 0.004 120.054 120.200 -0.250 0.000 2.209 353 E HA -0.177 4.173 4.350 0.001 0.000 0.196 353 E C 1.522 177.952 176.600 -0.284 0.000 0.993 353 E CA 1.133 57.379 56.400 -0.257 0.000 0.819 353 E CB -0.268 29.375 29.700 -0.095 0.000 0.745 353 E HN 0.182 nan 8.360 nan 0.000 0.477 354 K N 0.406 120.655 120.400 -0.252 0.000 2.504 354 K HA 0.137 4.458 4.320 0.001 0.000 0.199 354 K C 1.543 177.995 176.600 -0.246 0.000 1.028 354 K CA -0.068 56.099 56.287 -0.199 0.000 1.164 354 K CB -0.175 32.245 32.500 -0.132 0.000 0.877 354 K HN 0.249 nan 8.250 nan 0.000 0.508 355 I N 1.270 121.594 120.570 -0.409 0.000 2.151 355 I HA -0.397 3.774 4.170 0.001 0.000 0.243 355 I C 1.564 177.612 176.117 -0.115 0.000 1.080 355 I CA 1.514 62.556 61.300 -0.428 0.000 1.339 355 I CB 0.097 37.589 38.000 -0.847 0.000 1.039 355 I HN 0.250 nan 8.210 nan 0.000 0.409 356 N N 0.526 119.169 118.700 -0.095 0.000 2.149 356 N HA -0.220 4.520 4.740 0.001 0.000 0.188 356 N C 1.723 177.263 175.510 0.049 0.000 1.019 356 N CA 1.539 54.616 53.050 0.044 0.000 0.857 356 N CB -0.221 38.261 38.487 -0.009 0.000 0.997 356 N HN 0.458 nan 8.380 nan 0.000 0.426 357 E N 0.258 120.438 120.200 -0.033 0.000 2.072 357 E HA -0.034 4.317 4.350 0.001 0.000 0.191 357 E C 2.074 178.632 176.600 -0.070 0.000 0.985 357 E CA 1.002 57.373 56.400 -0.047 0.000 0.801 357 E CB -0.727 28.932 29.700 -0.070 0.000 0.750 357 E HN 0.382 nan 8.360 nan 0.000 0.452 358 G N -0.343 108.392 108.800 -0.108 0.000 2.442 358 G HA2 -0.263 3.697 3.960 0.001 0.000 0.219 358 G HA3 -0.263 3.697 3.960 0.001 0.000 0.219 358 G C 1.309 176.078 174.900 -0.218 0.000 1.141 358 G CA 0.544 45.525 45.100 -0.198 0.000 0.763 358 G HN 0.182 nan 8.290 nan 0.000 0.554 359 F N 1.442 121.316 119.950 -0.128 0.000 2.171 359 F HA -0.008 4.519 4.527 0.001 0.000 0.300 359 F C 2.446 178.213 175.800 -0.056 0.000 1.090 359 F CA 1.435 59.398 58.000 -0.061 0.000 1.293 359 F CB 0.059 39.069 39.000 0.018 0.000 1.013 359 F HN 0.076 nan 8.300 nan 0.000 0.486 360 D N 0.110 120.563 120.400 0.089 0.000 2.144 360 D HA -0.134 4.507 4.640 0.001 0.000 0.200 360 D C 2.425 178.700 176.300 -0.042 0.000 0.978 360 D CA 1.077 55.092 54.000 0.025 0.000 0.833 360 D CB -0.503 40.298 40.800 0.003 0.000 0.961 360 D HN 0.260 nan 8.370 nan 0.000 0.470 361 L N 0.146 121.300 121.223 -0.116 0.000 2.141 361 L HA -0.133 4.207 4.340 0.001 0.000 0.209 361 L C 2.356 179.126 176.870 -0.167 0.000 1.094 361 L CA 0.309 55.028 54.840 -0.202 0.000 0.763 361 L CB -0.223 41.591 42.059 -0.408 0.000 0.908 361 L HN 0.056 nan 8.230 nan 0.000 0.437 362 L N 0.079 121.211 121.223 -0.152 0.000 2.005 362 L HA -0.174 4.167 4.340 0.001 0.000 0.207 362 L C 2.716 179.560 176.870 -0.044 0.000 1.072 362 L CA 1.733 56.501 54.840 -0.121 0.000 0.744 362 L CB -0.382 41.567 42.059 -0.184 0.000 0.895 362 L HN 0.055 nan 8.230 nan 0.000 0.433 363 R N -0.497 120.001 120.500 -0.002 0.000 2.096 363 R HA -0.109 4.232 4.340 0.001 0.000 0.235 363 R C 2.309 178.614 176.300 0.009 0.000 1.127 363 R CA 1.433 57.549 56.100 0.028 0.000 0.968 363 R CB -0.691 29.644 30.300 0.059 0.000 0.861 363 R HN 0.637 nan 8.270 nan 0.000 0.440 364 S N -0.665 115.029 115.700 -0.010 0.000 2.474 364 S HA 0.029 4.500 4.470 0.001 0.000 0.235 364 S C 1.589 176.180 174.600 -0.014 0.000 0.997 364 S CA 0.631 58.823 58.200 -0.013 0.000 0.949 364 S CB 0.147 63.333 63.200 -0.024 0.000 0.766 364 S HN 0.550 nan 8.310 nan 0.000 0.517 365 G N 0.909 109.698 108.800 -0.019 0.000 2.157 365 G HA2 -0.266 3.695 3.960 0.001 0.000 0.248 365 G HA3 -0.266 3.695 3.960 0.001 0.000 0.248 365 G C 0.508 175.402 174.900 -0.011 0.000 0.979 365 G CA 0.390 45.482 45.100 -0.013 0.000 0.650 365 G HN 0.579 nan 8.290 nan 0.000 0.529 366 E N 0.371 120.559 120.200 -0.020 0.000 2.076 366 E HA 0.116 4.466 4.350 0.001 0.000 0.190 366 E C 1.869 178.512 176.600 0.072 0.000 0.979 366 E CA 1.024 57.434 56.400 0.017 0.000 0.807 366 E CB -0.011 29.687 29.700 -0.004 0.000 0.761 366 E HN 0.705 nan 8.360 nan 0.000 0.454 367 S N -0.447 115.243 115.700 -0.016 0.000 2.730 367 S HA 0.317 4.788 4.470 0.001 0.000 0.284 367 S C 0.735 175.354 174.600 0.033 0.000 1.153 367 S CA -0.853 57.373 58.200 0.043 0.000 0.995 367 S CB 1.431 64.540 63.200 -0.151 0.000 1.058 367 S HN -0.041 nan 8.310 nan 0.000 0.552 368 I N -0.409 120.198 120.570 0.062 0.000 3.818 368 I HA 0.382 4.552 4.170 0.001 0.000 0.242 368 I C 0.400 176.526 176.117 0.016 0.000 1.111 368 I CA 0.536 61.860 61.300 0.041 0.000 1.576 368 I CB -0.414 37.621 38.000 0.057 0.000 1.572 368 I HN 0.506 nan 8.210 nan 0.000 0.450 369 R N 1.071 121.591 120.500 0.034 0.000 2.532 369 R HA 0.486 4.826 4.340 0.001 0.000 0.297 369 R C -1.147 175.166 176.300 0.022 0.000 0.984 369 R CA -0.266 55.837 56.100 0.006 0.000 0.884 369 R CB 1.793 32.102 30.300 0.014 0.000 1.182 369 R HN 0.100 nan 8.270 nan 0.000 0.442 370 T N 4.157 118.692 114.554 -0.032 0.000 2.770 370 T HA 0.446 4.796 4.350 0.001 0.000 0.283 370 T C 0.399 175.077 174.700 -0.036 0.000 0.988 370 T CA -0.531 61.556 62.100 -0.021 0.000 0.957 370 T CB 1.006 69.809 68.868 -0.108 0.000 0.930 370 T HN 0.205 nan 8.240 nan 0.000 0.443 371 I N 4.455 125.023 120.570 -0.004 0.000 2.312 371 I HA 0.251 4.422 4.170 0.001 0.000 0.291 371 I C 0.150 176.263 176.117 -0.007 0.000 1.031 371 I CA -0.689 60.614 61.300 0.006 0.000 1.293 371 I CB 0.696 38.707 38.000 0.018 0.000 1.403 371 I HN 0.523 nan 8.210 nan 0.000 0.484 372 L N 6.945 128.164 121.223 -0.007 0.000 2.295 372 L HA 0.213 4.554 4.340 0.001 0.000 0.288 372 L C 0.666 177.506 176.870 -0.049 0.000 1.079 372 L CA -0.404 54.395 54.840 -0.068 0.000 0.830 372 L CB 0.408 42.408 42.059 -0.098 0.000 1.200 372 L HN 0.629 nan 8.230 nan 0.000 0.438 373 T N -0.385 114.143 114.554 -0.044 0.000 2.771 373 T HA 0.505 4.856 4.350 0.001 0.000 0.291 373 T C -0.008 174.683 174.700 -0.014 0.000 0.954 373 T CA -0.565 61.559 62.100 0.039 0.000 1.045 373 T CB 0.677 69.572 68.868 0.045 0.000 0.917 373 T HN 0.057 nan 8.240 nan 0.000 0.484 374 F N 0.000 119.963 119.950 0.022 0.000 2.286 374 F HA 0.000 4.527 4.527 0.001 0.000 0.279 374 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 374 F CB 0.000 38.927 39.000 -0.121 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574