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 1ju9_1_B 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 GGVGLSVIMG CKAAGAARII GVDINKDKFA KAKEVGATEC VNPQDYKKPI DATA SEQUENCE QEVLTEMSNG GVDFSFEVIG RLDTMVTALS CCQEAYGVSV ISGVPPDSQN 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 0.000 174.584 174.600 -0.027 0.000 1.055 1 S CA 0.000 58.191 58.200 -0.015 0.000 1.107 1 S CB 0.000 63.195 63.200 -0.008 0.000 0.593 2 T N -1.097 113.434 114.554 -0.037 0.000 2.955 2 T HA 0.624 4.974 4.350 0.001 0.000 0.251 2 T C 0.853 175.514 174.700 -0.064 0.000 1.002 2 T CA 0.618 62.678 62.100 -0.067 0.000 0.970 2 T CB 0.177 68.980 68.868 -0.109 0.000 1.091 2 T HN 0.624 nan 8.240 nan 0.000 0.495 3 A N 1.026 123.820 122.820 -0.043 0.000 2.531 3 A HA 0.512 4.833 4.320 0.001 0.000 0.236 3 A C 1.815 179.375 177.584 -0.040 0.000 1.062 3 A CA 0.486 52.500 52.037 -0.039 0.000 0.760 3 A CB -1.114 17.870 19.000 -0.027 0.000 0.995 3 A HN 1.577 nan 8.150 nan 0.000 0.501 4 G N 1.300 110.075 108.800 -0.042 0.000 2.189 4 G HA2 -0.261 3.700 3.960 0.001 0.000 0.267 4 G HA3 -0.261 3.700 3.960 0.001 0.000 0.267 4 G C 0.256 175.132 174.900 -0.040 0.000 0.975 4 G CA 1.174 46.251 45.100 -0.038 0.000 0.644 4 G HN 0.909 nan 8.290 nan 0.000 0.537 5 K N -0.425 119.946 120.400 -0.049 0.000 2.340 5 K HA 0.645 4.966 4.320 0.001 0.000 0.244 5 K C 0.292 176.852 176.600 -0.067 0.000 0.973 5 K CA -1.045 55.212 56.287 -0.050 0.000 0.828 5 K CB 2.726 35.199 32.500 -0.045 0.000 1.226 5 K HN 0.024 nan 8.250 nan 0.000 0.437 6 V N 2.727 122.609 119.914 -0.054 0.000 2.694 6 V HA 0.002 4.123 4.120 0.001 0.000 0.306 6 V C 0.258 176.302 176.094 -0.084 0.000 1.054 6 V CA 0.424 62.690 62.300 -0.057 0.000 1.161 6 V CB -0.068 31.737 31.823 -0.030 0.000 0.916 6 V HN 0.530 nan 8.190 nan 0.000 0.490 7 I N 5.559 126.059 120.570 -0.116 0.000 2.354 7 I HA 0.361 4.532 4.170 0.001 0.000 0.292 7 I C 0.284 176.352 176.117 -0.081 0.000 0.989 7 I CA -0.512 60.684 61.300 -0.174 0.000 1.188 7 I CB 1.287 39.033 38.000 -0.424 0.000 1.342 7 I HN 0.509 nan 8.210 nan 0.000 0.457 8 K N 6.098 126.472 120.400 -0.043 0.000 2.227 8 K HA 0.543 4.863 4.320 0.001 0.000 0.280 8 K C -0.669 175.964 176.600 0.055 0.000 1.041 8 K CA -0.326 55.974 56.287 0.021 0.000 0.905 8 K CB 1.522 34.039 32.500 0.028 0.000 1.068 8 K HN 0.819 nan 8.250 nan 0.000 0.470 9 C N 0.306 119.672 119.300 0.109 0.000 3.293 9 C HA 0.506 4.966 4.460 0.001 0.000 0.362 9 C C -1.224 173.871 174.990 0.175 0.000 1.539 9 C CA -1.248 57.873 59.018 0.170 0.000 1.201 9 C CB 1.008 28.917 27.740 0.281 0.000 1.770 9 C HN 0.713 nan 8.230 nan 0.000 0.440 10 K N 0.957 121.484 120.400 0.212 0.000 2.130 10 K HA 0.769 5.089 4.320 0.001 0.000 0.268 10 K C -0.222 176.551 176.600 0.287 0.000 0.983 10 K CA 0.155 56.587 56.287 0.241 0.000 0.893 10 K CB 1.823 34.496 32.500 0.288 0.000 1.066 10 K HN 1.067 nan 8.250 nan 0.000 0.450 11 A N 0.944 123.922 122.820 0.263 0.000 2.566 11 A HA 0.720 5.041 4.320 0.001 0.000 0.292 11 A C -1.557 176.182 177.584 0.258 0.000 1.112 11 A CA -0.834 51.372 52.037 0.281 0.000 0.707 11 A CB 1.692 20.706 19.000 0.023 0.000 1.302 11 A HN 0.664 nan 8.150 nan 0.000 0.409 12 A N 0.930 123.940 122.820 0.317 0.000 2.366 12 A HA 0.581 4.902 4.320 0.001 0.000 0.322 12 A C -0.357 177.268 177.584 0.069 0.000 1.397 12 A CA -0.282 51.819 52.037 0.108 0.000 0.984 12 A CB -0.370 18.601 19.000 -0.049 0.000 1.149 12 A HN 1.071 nan 8.150 nan 0.000 0.540 13 V N 3.280 123.127 119.914 -0.112 0.000 2.567 13 V HA 0.299 4.420 4.120 0.001 0.000 0.289 13 V C -0.035 175.854 176.094 -0.342 0.000 1.049 13 V CA -0.420 61.652 62.300 -0.381 0.000 0.969 13 V CB 1.451 32.732 31.823 -0.903 0.000 0.995 13 V HN 0.774 nan 8.190 nan 0.000 0.471 14 L N 4.066 125.113 121.223 -0.294 0.000 2.276 14 L HA 0.406 4.747 4.340 0.001 0.000 0.286 14 L C 0.055 176.773 176.870 -0.253 0.000 1.024 14 L CA 0.234 54.896 54.840 -0.297 0.000 0.826 14 L CB 0.893 42.767 42.059 -0.308 0.000 1.211 14 L HN 0.733 nan 8.230 nan 0.000 0.422 15 W N 2.639 123.891 121.300 -0.081 0.000 2.518 15 W HA 0.174 4.835 4.660 0.001 0.000 0.273 15 W C 0.521 177.012 176.519 -0.047 0.000 1.247 15 W CA -0.057 57.261 57.345 -0.044 0.000 1.288 15 W CB 0.411 29.848 29.460 -0.038 0.000 1.107 15 W HN 0.438 nan 8.180 nan 0.000 0.586 16 E N -1.122 119.150 120.200 0.120 0.000 2.407 16 E HA 0.097 4.448 4.350 0.001 0.000 0.279 16 E C -0.975 175.605 176.600 -0.034 0.000 1.012 16 E CA -0.855 55.574 56.400 0.050 0.000 0.800 16 E CB 1.808 31.540 29.700 0.053 0.000 1.276 16 E HN -0.136 nan 8.360 nan 0.000 0.452 17 E N 1.259 121.436 120.200 -0.038 0.000 2.436 17 E HA -0.020 4.331 4.350 0.001 0.000 0.262 17 E C -0.741 175.813 176.600 -0.076 0.000 1.063 17 E CA 0.414 56.774 56.400 -0.067 0.000 0.944 17 E CB 0.212 29.888 29.700 -0.040 0.000 0.950 17 E HN 0.353 nan 8.360 nan 0.000 0.444 18 K N 0.886 121.227 120.400 -0.100 0.000 3.257 18 K HA -0.255 4.066 4.320 0.001 0.000 0.270 18 K C -0.810 175.730 176.600 -0.099 0.000 0.984 18 K CA 0.769 57.002 56.287 -0.090 0.000 0.739 18 K CB -1.089 31.381 32.500 -0.050 0.000 1.351 18 K HN 0.362 nan 8.250 nan 0.000 0.463 19 K N -0.507 119.799 120.400 -0.157 0.000 2.536 19 K HA 0.417 4.738 4.320 0.001 0.000 0.269 19 K C -2.741 173.712 176.600 -0.245 0.000 0.965 19 K CA -2.291 53.913 56.287 -0.139 0.000 0.860 19 K CB 2.085 34.542 32.500 -0.072 0.000 1.423 19 K HN -0.231 nan 8.250 nan 0.000 0.438 20 P HA 0.090 nan 4.420 nan 0.000 0.272 20 P C -0.845 176.310 177.300 -0.243 0.000 1.230 20 P CA -0.161 62.823 63.100 -0.193 0.000 0.788 20 P CB 0.312 31.973 31.700 -0.065 0.000 0.949 21 F N -0.027 119.804 119.950 -0.199 0.000 2.484 21 F HA 0.200 4.728 4.527 0.001 0.000 0.360 21 F C 1.421 177.150 175.800 -0.119 0.000 1.101 21 F CA 0.501 58.379 58.000 -0.203 0.000 1.251 21 F CB 0.408 39.227 39.000 -0.301 0.000 1.132 21 F HN 0.086 nan 8.300 nan 0.000 0.570 22 S N 4.844 120.607 115.700 0.105 0.000 2.438 22 S HA 0.455 4.925 4.470 0.001 0.000 0.316 22 S C -0.439 174.210 174.600 0.082 0.000 1.084 22 S CA -0.943 57.342 58.200 0.142 0.000 1.107 22 S CB -0.058 63.382 63.200 0.400 0.000 0.981 22 S HN 0.385 nan 8.310 nan 0.000 0.466 23 I N 5.607 126.200 120.570 0.038 0.000 2.494 23 I HA 0.232 4.403 4.170 0.001 0.000 0.289 23 I C 0.619 176.792 176.117 0.094 0.000 1.106 23 I CA 0.417 61.727 61.300 0.017 0.000 1.369 23 I CB -0.373 37.594 38.000 -0.055 0.000 1.410 23 I HN 0.670 nan 8.210 nan 0.000 0.523 24 E N 5.620 125.888 120.200 0.113 0.000 2.263 24 E HA 0.403 4.754 4.350 0.001 0.000 0.264 24 E C -0.550 176.129 176.600 0.132 0.000 0.923 24 E CA -0.861 55.629 56.400 0.150 0.000 0.802 24 E CB 1.831 31.649 29.700 0.196 0.000 1.228 24 E HN 0.409 nan 8.360 nan 0.000 0.417 25 E N 0.977 121.255 120.200 0.130 0.000 2.290 25 E HA 0.272 4.623 4.350 0.001 0.000 0.277 25 E C -0.247 176.424 176.600 0.118 0.000 1.035 25 E CA -0.324 56.148 56.400 0.119 0.000 0.873 25 E CB 1.145 30.906 29.700 0.102 0.000 1.029 25 E HN 0.255 nan 8.360 nan 0.000 0.419 26 V N 0.026 120.008 119.914 0.114 0.000 3.040 26 V HA 0.514 4.635 4.120 0.001 0.000 0.312 26 V C -0.569 175.599 176.094 0.124 0.000 1.115 26 V CA -1.049 61.320 62.300 0.114 0.000 0.998 26 V CB 2.082 33.959 31.823 0.089 0.000 1.042 26 V HN 0.547 nan 8.190 nan 0.000 0.433 27 E N 1.148 121.426 120.200 0.129 0.000 2.166 27 E HA 0.630 4.981 4.350 0.001 0.000 0.275 27 E C -1.441 175.237 176.600 0.130 0.000 0.941 27 E CA -0.755 55.705 56.400 0.100 0.000 0.784 27 E CB 2.423 32.162 29.700 0.065 0.000 1.115 27 E HN 0.601 nan 8.360 nan 0.000 0.399 28 V N 2.732 122.695 119.914 0.082 0.000 2.334 28 V HA 0.362 4.483 4.120 0.001 0.000 0.281 28 V C 0.342 176.407 176.094 -0.049 0.000 1.016 28 V CA -0.701 61.623 62.300 0.040 0.000 0.832 28 V CB 1.017 32.894 31.823 0.090 0.000 0.999 28 V HN 0.797 nan 8.190 nan 0.000 0.439 29 A N 7.849 130.623 122.820 -0.077 0.000 2.406 29 A HA 0.644 4.965 4.320 0.001 0.000 0.243 29 A C -2.303 175.235 177.584 -0.077 0.000 1.082 29 A CA -1.012 50.985 52.037 -0.067 0.000 0.786 29 A CB -0.186 18.778 19.000 -0.060 0.000 1.029 29 A HN 0.653 nan 8.150 nan 0.000 0.495 30 P HA 0.250 nan 4.420 nan 0.000 0.269 30 P C -2.588 174.678 177.300 -0.057 0.000 1.215 30 P CA -0.965 62.099 63.100 -0.060 0.000 0.780 30 P CB -0.251 31.419 31.700 -0.050 0.000 0.898 31 P HA 0.186 nan 4.420 nan 0.000 0.276 31 P C -0.205 177.067 177.300 -0.048 0.000 1.243 31 P CA 0.067 63.138 63.100 -0.049 0.000 0.768 31 P CB 0.636 32.312 31.700 -0.040 0.000 0.856 32 K N 1.679 122.052 120.400 -0.045 0.000 2.440 32 K HA 0.546 4.866 4.320 0.001 0.000 0.252 32 K C 0.517 177.091 176.600 -0.044 0.000 1.044 32 K CA -0.787 55.476 56.287 -0.040 0.000 0.962 32 K CB 0.215 32.697 32.500 -0.031 0.000 1.269 32 K HN 0.451 nan 8.250 nan 0.000 0.505 33 A N 1.326 124.123 122.820 -0.039 0.000 2.540 33 A HA -0.018 4.303 4.320 0.001 0.000 0.239 33 A C -0.133 177.446 177.584 -0.009 0.000 1.061 33 A CA 0.316 52.301 52.037 -0.088 0.000 0.758 33 A CB -0.487 18.497 19.000 -0.027 0.000 0.991 33 A HN 0.892 nan 8.150 nan 0.000 0.502 34 H N -0.208 118.844 119.070 -0.029 0.000 2.862 34 H HA -0.127 4.430 4.556 0.002 0.000 0.290 34 H C -0.076 175.230 175.328 -0.036 0.000 1.211 34 H CA 1.540 57.570 56.048 -0.030 0.000 1.140 34 H CB -1.532 28.212 29.762 -0.031 0.000 1.341 34 H HN 0.893 nan 8.280 nan 0.000 0.392 35 E N -0.207 120.000 120.200 0.012 0.000 2.359 35 E HA 0.718 5.069 4.350 0.001 0.000 0.266 35 E C -0.362 176.229 176.600 -0.015 0.000 0.920 35 E CA -1.073 55.324 56.400 -0.005 0.000 0.788 35 E CB 3.056 32.741 29.700 -0.026 0.000 1.279 35 E HN -0.015 nan 8.360 nan 0.000 0.438 36 V N 1.538 121.446 119.914 -0.009 0.000 2.612 36 V HA 0.362 4.483 4.120 0.001 0.000 0.301 36 V C -0.704 175.394 176.094 0.007 0.000 1.059 36 V CA -0.768 61.530 62.300 -0.003 0.000 0.886 36 V CB 1.807 33.630 31.823 0.002 0.000 1.007 36 V HN 0.540 nan 8.190 nan 0.000 0.426 37 R N 4.480 124.989 120.500 0.015 0.000 2.346 37 R HA 0.773 5.114 4.340 0.001 0.000 0.311 37 R C -1.231 175.113 176.300 0.073 0.000 0.983 37 R CA -0.376 55.751 56.100 0.045 0.000 0.880 37 R CB 1.002 31.323 30.300 0.034 0.000 1.100 37 R HN 0.728 nan 8.270 nan 0.000 0.453 38 I N 3.702 124.321 120.570 0.081 0.000 2.465 38 I HA 0.284 4.455 4.170 0.001 0.000 0.291 38 I C -0.372 175.707 176.117 -0.062 0.000 1.014 38 I CA -0.911 60.399 61.300 0.018 0.000 1.093 38 I CB 2.079 40.062 38.000 -0.027 0.000 1.267 38 I HN 0.480 nan 8.210 nan 0.000 0.431 39 K N 6.156 126.453 120.400 -0.171 0.000 2.285 39 K HA 0.377 4.698 4.320 0.001 0.000 0.286 39 K C -0.460 175.850 176.600 -0.483 0.000 1.072 39 K CA -0.677 55.273 56.287 -0.562 0.000 0.913 39 K CB 0.861 33.083 32.500 -0.464 0.000 1.067 39 K HN 0.460 nan 8.250 nan 0.000 0.479 40 M N 4.342 123.522 119.600 -0.701 0.000 2.238 40 M HA 0.020 4.501 4.480 0.001 0.000 0.347 40 M C 0.095 176.030 176.300 -0.610 0.000 1.173 40 M CA 0.332 55.195 55.300 -0.729 0.000 1.147 40 M CB 1.454 33.302 32.600 -1.253 0.000 1.547 40 M HN 0.565 nan 8.290 nan 0.000 0.455 41 V N 2.533 122.302 119.914 -0.242 0.000 3.151 41 V HA 0.556 4.677 4.120 0.001 0.000 0.241 41 V C 0.150 176.394 176.094 0.249 0.000 1.173 41 V CA 0.755 63.059 62.300 0.006 0.000 1.154 41 V CB 0.326 32.142 31.823 -0.011 0.000 0.898 41 V HN 0.905 nan 8.190 nan 0.000 0.473 42 A N -0.913 122.030 122.820 0.204 0.000 2.589 42 A HA 0.726 5.047 4.320 0.001 0.000 0.296 42 A C -0.733 176.992 177.584 0.234 0.000 1.062 42 A CA -0.044 52.144 52.037 0.252 0.000 0.686 42 A CB 2.032 21.098 19.000 0.110 0.000 1.282 42 A HN 0.024 nan 8.150 nan 0.000 0.404 43 T N 0.413 115.126 114.554 0.266 0.000 2.952 43 T HA 0.633 4.984 4.350 0.001 0.000 0.305 43 T C 0.197 175.003 174.700 0.177 0.000 1.064 43 T CA 0.373 62.614 62.100 0.235 0.000 1.008 43 T CB 1.114 70.211 68.868 0.382 0.000 1.078 43 T HN 1.750 nan 8.240 nan 0.000 0.459 44 G N 3.173 112.038 108.800 0.109 0.000 2.476 44 G HA2 0.596 4.557 3.960 0.001 0.000 0.269 44 G HA3 0.596 4.557 3.960 0.001 0.000 0.269 44 G C -0.322 174.622 174.900 0.073 0.000 1.195 44 G CA -0.661 44.468 45.100 0.048 0.000 0.843 44 G HN 0.852 nan 8.290 nan 0.000 0.545 45 I N 0.843 121.384 120.570 -0.048 0.000 2.304 45 I HA 0.218 4.389 4.170 0.001 0.000 0.291 45 I C 0.270 176.294 176.117 -0.154 0.000 1.018 45 I CA -0.365 60.835 61.300 -0.167 0.000 1.260 45 I CB 1.025 38.709 38.000 -0.526 0.000 1.390 45 I HN 0.383 nan 8.210 nan 0.000 0.475 46 C N 6.306 125.575 119.300 -0.050 0.000 2.435 46 C HA 0.409 4.870 4.460 0.001 0.000 0.333 46 C C 1.934 176.926 174.990 0.003 0.000 1.202 46 C CA -0.673 58.336 59.018 -0.015 0.000 1.830 46 C CB 1.568 29.317 27.740 0.015 0.000 2.326 46 C HN 0.958 nan 8.230 nan 0.000 0.507 47 R N 1.799 122.264 120.500 -0.057 0.000 2.133 47 R HA -0.098 4.243 4.340 0.001 0.000 0.247 47 R C 2.261 178.350 176.300 -0.351 0.000 1.151 47 R CA 2.447 58.437 56.100 -0.183 0.000 0.971 47 R CB -0.363 29.832 30.300 -0.175 0.000 0.866 47 R HN 0.856 nan 8.270 nan 0.000 0.447 48 S N 0.427 116.037 115.700 -0.150 0.000 2.442 48 S HA -0.101 4.370 4.470 0.001 0.000 0.236 48 S C 1.001 175.658 174.600 0.095 0.000 1.007 48 S CA 1.254 59.415 58.200 -0.066 0.000 0.965 48 S CB -0.174 63.019 63.200 -0.010 0.000 0.773 48 S HN 0.408 nan 8.310 nan 0.000 0.504 49 D N 1.046 121.593 120.400 0.245 0.000 2.194 49 D HA -0.071 4.569 4.640 0.001 0.000 0.204 49 D C 1.529 178.060 176.300 0.386 0.000 0.964 49 D CA 0.839 55.043 54.000 0.339 0.000 0.846 49 D CB -0.282 40.903 40.800 0.642 0.000 0.962 49 D HN 0.299 nan 8.370 nan 0.000 0.490 50 D N 0.241 120.879 120.400 0.396 0.000 2.178 50 D HA -0.121 4.520 4.640 0.001 0.000 0.202 50 D C 1.769 178.191 176.300 0.203 0.000 0.974 50 D CA 0.954 55.169 54.000 0.359 0.000 0.841 50 D CB -0.060 40.904 40.800 0.273 0.000 0.953 50 D HN 0.370 nan 8.370 nan 0.000 0.478 51 H N -1.245 117.902 119.070 0.129 0.000 2.421 51 H HA -0.056 4.501 4.556 0.001 0.000 0.298 51 H C 2.104 177.440 175.328 0.013 0.000 1.087 51 H CA 0.737 56.824 56.048 0.064 0.000 1.330 51 H CB 0.409 30.210 29.762 0.065 0.000 1.388 51 H HN 0.048 nan 8.280 nan 0.000 0.526 52 V N 0.284 120.247 119.914 0.081 0.000 2.307 52 V HA -0.232 3.889 4.120 0.001 0.000 0.245 52 V C 2.434 178.483 176.094 -0.074 0.000 1.045 52 V CA 1.347 63.610 62.300 -0.062 0.000 1.024 52 V CB -0.408 31.244 31.823 -0.284 0.000 0.651 52 V HN 0.250 nan 8.190 nan 0.000 0.449 53 V N -0.041 119.820 119.914 -0.088 0.000 2.252 53 V HA -0.291 3.829 4.120 0.001 0.000 0.249 53 V C 2.512 178.556 176.094 -0.082 0.000 1.056 53 V CA 2.546 64.743 62.300 -0.173 0.000 1.022 53 V CB -0.895 30.792 31.823 -0.226 0.000 0.641 53 V HN 0.553 nan 8.190 nan 0.000 0.445 54 S N -0.542 115.157 115.700 -0.001 0.000 2.500 54 S HA 0.048 4.519 4.470 0.001 0.000 0.239 54 S C 1.711 176.313 174.600 0.004 0.000 0.989 54 S CA 0.999 59.211 58.200 0.019 0.000 0.951 54 S CB -0.216 63.031 63.200 0.079 0.000 0.759 54 S HN 1.048 nan 8.310 nan 0.000 0.523 55 G N 0.468 109.267 108.800 -0.002 0.000 2.184 55 G HA2 -0.335 3.626 3.960 0.001 0.000 0.264 55 G HA3 -0.335 3.626 3.960 0.001 0.000 0.264 55 G C 0.845 175.744 174.900 -0.002 0.000 0.975 55 G CA 0.930 46.026 45.100 -0.006 0.000 0.642 55 G HN 0.480 nan 8.290 nan 0.000 0.536 56 T N -0.425 114.131 114.554 0.004 0.000 2.708 56 T HA 0.018 4.369 4.350 0.001 0.000 0.266 56 T C 1.317 176.000 174.700 -0.028 0.000 1.037 56 T CA 1.279 63.350 62.100 -0.047 0.000 1.146 56 T CB 0.066 68.852 68.868 -0.137 0.000 0.865 56 T HN 0.476 nan 8.240 nan 0.000 0.435 57 L N 2.936 124.183 121.223 0.041 0.000 2.264 57 L HA 0.425 4.766 4.340 0.001 0.000 0.287 57 L C -0.987 175.923 176.870 0.067 0.000 1.039 57 L CA -0.632 54.254 54.840 0.076 0.000 0.829 57 L CB 0.668 42.828 42.059 0.168 0.000 1.211 57 L HN -0.088 nan 8.230 nan 0.000 0.427 58 V N 4.503 124.446 119.914 0.048 0.000 2.455 58 V HA 0.350 4.471 4.120 0.001 0.000 0.273 58 V C 0.429 176.555 176.094 0.054 0.000 1.045 58 V CA 0.135 62.455 62.300 0.033 0.000 0.976 58 V CB 0.891 32.724 31.823 0.017 0.000 0.993 58 V HN 0.846 nan 8.190 nan 0.000 0.475 59 T N 6.268 120.847 114.554 0.041 0.000 2.932 59 T HA 0.515 4.866 4.350 0.001 0.000 0.318 59 T C -2.976 171.699 174.700 -0.041 0.000 1.265 59 T CA -1.300 60.828 62.100 0.047 0.000 1.036 59 T CB 2.216 71.202 68.868 0.196 0.000 1.209 59 T HN 0.417 nan 8.240 nan 0.000 0.484 60 P HA 0.434 nan 4.420 nan 0.000 0.268 60 P C -0.964 176.185 177.300 -0.252 0.000 1.205 60 P CA -0.205 62.688 63.100 -0.344 0.000 0.771 60 P CB 0.340 31.530 31.700 -0.849 0.000 0.858 61 L N 3.840 125.033 121.223 -0.050 0.000 2.323 61 L HA 0.620 4.961 4.340 0.001 0.000 0.265 61 L C -2.059 174.972 176.870 0.269 0.000 1.012 61 L CA -2.372 52.535 54.840 0.113 0.000 0.820 61 L CB 1.631 43.720 42.059 0.049 0.000 1.334 61 L HN 0.264 nan 8.230 nan 0.000 0.427 62 P HA 0.280 nan 4.420 nan 0.000 0.274 62 P C -1.100 176.264 177.300 0.106 0.000 1.237 62 P CA -0.271 62.901 63.100 0.119 0.000 0.793 62 P CB 2.339 34.089 31.700 0.083 0.000 0.977 63 V N 1.985 121.879 119.914 -0.034 0.000 3.114 63 V HA 0.461 4.581 4.120 0.001 0.000 0.308 63 V C -0.945 175.075 176.094 -0.123 0.000 1.168 63 V CA -1.136 61.157 62.300 -0.010 0.000 1.015 63 V CB 2.275 34.113 31.823 0.025 0.000 1.050 63 V HN 0.354 nan 8.190 nan 0.000 0.433 64 I N 4.879 125.359 120.570 -0.150 0.000 2.328 64 I HA 0.627 4.798 4.170 0.001 0.000 0.287 64 I C 0.677 176.770 176.117 -0.039 0.000 1.012 64 I CA -0.091 61.111 61.300 -0.164 0.000 1.195 64 I CB 1.359 39.069 38.000 -0.484 0.000 1.350 64 I HN 0.825 nan 8.210 nan 0.000 0.464 65 A N 4.840 127.656 122.820 -0.007 0.000 2.710 65 A HA 0.892 5.213 4.320 0.001 0.000 0.253 65 A C 0.526 177.759 177.584 -0.584 0.000 1.658 65 A CA 0.022 51.936 52.037 -0.206 0.000 0.851 65 A CB -0.050 18.803 19.000 -0.245 0.000 1.658 65 A HN 1.011 nan 8.150 nan 0.000 0.585 66 G N -1.647 106.602 108.800 -0.919 0.000 3.322 66 G HA2 0.204 4.165 3.960 0.001 0.000 0.686 66 G HA3 0.204 4.165 3.960 0.001 0.000 0.686 66 G C -0.250 174.566 174.900 -0.141 0.000 1.015 66 G CA 0.387 44.683 45.100 -1.340 0.000 0.826 66 G HN 2.159 nan 8.290 nan 0.000 0.538 67 H N 0.261 119.252 119.070 -0.133 0.000 3.787 67 H HA 0.302 4.859 4.556 0.001 0.000 0.262 67 H C 0.213 175.578 175.328 0.062 0.000 1.181 67 H CA 0.485 56.527 56.048 -0.010 0.000 1.159 67 H CB 0.756 30.461 29.762 -0.094 0.000 1.563 67 H HN 0.628 nan 8.280 nan 0.000 0.699 68 E N 1.527 121.510 120.200 -0.363 0.000 2.092 68 E HA 0.626 4.977 4.350 0.001 0.000 0.271 68 E C -1.093 175.501 176.600 -0.009 0.000 0.919 68 E CA -0.545 55.768 56.400 -0.145 0.000 0.760 68 E CB 0.985 30.560 29.700 -0.208 0.000 1.106 68 E HN 0.498 nan 8.360 nan 0.000 0.408 69 A N 2.877 125.720 122.820 0.038 0.000 2.511 69 A HA 0.866 5.187 4.320 0.001 0.000 0.293 69 A C -1.710 175.891 177.584 0.028 0.000 1.098 69 A CA -0.179 51.887 52.037 0.048 0.000 0.643 69 A CB 1.336 20.366 19.000 0.049 0.000 1.302 69 A HN 0.667 nan 8.150 nan 0.000 0.446 70 A N -1.068 121.759 122.820 0.012 0.000 2.572 70 A HA 0.991 5.312 4.320 0.001 0.000 0.295 70 A C -0.083 177.474 177.584 -0.045 0.000 1.072 70 A CA 0.124 52.154 52.037 -0.011 0.000 0.691 70 A CB 1.394 20.387 19.000 -0.012 0.000 1.291 70 A HN 2.629 nan 8.150 nan 0.000 0.404 71 G N -0.551 108.213 108.800 -0.059 0.000 2.561 71 G HA2 0.591 4.551 3.960 0.001 0.000 0.310 71 G HA3 0.591 4.551 3.960 0.001 0.000 0.310 71 G C -1.778 173.078 174.900 -0.073 0.000 1.292 71 G CA -0.493 44.547 45.100 -0.101 0.000 0.811 71 G HN 0.813 nan 8.290 nan 0.000 0.482 72 I N 0.549 121.067 120.570 -0.088 0.000 2.498 72 I HA 0.341 4.512 4.170 0.001 0.000 0.290 72 I C -0.013 176.083 176.117 -0.035 0.000 1.032 72 I CA -1.052 60.218 61.300 -0.050 0.000 1.073 72 I CB 2.336 40.310 38.000 -0.043 0.000 1.251 72 I HN 0.180 nan 8.210 nan 0.000 0.426 73 V N 5.994 125.900 119.914 -0.013 0.000 2.493 73 V HA -0.053 4.068 4.120 0.001 0.000 0.292 73 V C 1.381 177.490 176.094 0.026 0.000 1.016 73 V CA 0.427 62.730 62.300 0.006 0.000 1.097 73 V CB 0.609 32.434 31.823 0.003 0.000 0.947 73 V HN 0.865 nan 8.190 nan 0.000 0.479 74 E N 3.470 123.706 120.200 0.059 0.000 2.190 74 E HA 0.002 4.353 4.350 0.001 0.000 0.191 74 E C 0.631 177.254 176.600 0.039 0.000 0.978 74 E CA 1.058 57.508 56.400 0.084 0.000 0.839 74 E CB 0.694 30.506 29.700 0.188 0.000 0.787 74 E HN 0.874 nan 8.360 nan 0.000 0.473 75 S N -0.424 115.290 115.700 0.024 0.000 2.611 75 S HA 0.498 4.969 4.470 0.001 0.000 0.270 75 S C -0.532 174.064 174.600 -0.008 0.000 1.131 75 S CA -0.908 57.292 58.200 0.001 0.000 0.826 75 S CB 0.729 63.922 63.200 -0.011 0.000 1.095 75 S HN 0.241 nan 8.310 nan 0.000 0.461 76 I N -0.778 119.780 120.570 -0.020 0.000 2.689 76 I HA 0.930 5.101 4.170 0.001 0.000 0.299 76 I C 0.413 176.502 176.117 -0.047 0.000 1.059 76 I CA -1.050 60.232 61.300 -0.030 0.000 1.055 76 I CB 1.602 39.584 38.000 -0.030 0.000 1.243 76 I HN 0.883 nan 8.210 nan 0.000 0.425 77 G N 3.074 111.837 108.800 -0.061 0.000 2.588 77 G HA2 0.310 4.271 3.960 0.001 0.000 0.281 77 G HA3 0.310 4.271 3.960 0.001 0.000 0.281 77 G C -0.444 174.380 174.900 -0.126 0.000 1.236 77 G CA -0.697 44.354 45.100 -0.081 0.000 0.969 77 G HN 0.803 nan 8.290 nan 0.000 0.504 78 E N -0.647 119.467 120.200 -0.143 0.000 2.442 78 E HA 0.307 4.658 4.350 0.001 0.000 0.262 78 E C 1.178 177.562 176.600 -0.360 0.000 1.004 78 E CA 1.058 57.348 56.400 -0.183 0.000 0.928 78 E CB 0.552 30.166 29.700 -0.143 0.000 0.937 78 E HN 0.945 nan 8.360 nan 0.000 0.446 79 G N 1.719 110.337 108.800 -0.302 0.000 2.225 79 G HA2 -0.297 3.664 3.960 0.001 0.000 0.254 79 G HA3 -0.297 3.664 3.960 0.001 0.000 0.254 79 G C 0.388 175.126 174.900 -0.269 0.000 0.988 79 G CA 0.061 44.916 45.100 -0.409 0.000 0.625 79 G HN 0.443 nan 8.290 nan 0.000 0.527 80 V N 2.286 122.074 119.914 -0.209 0.000 2.529 80 V HA 0.420 4.541 4.120 0.001 0.000 0.292 80 V C 1.655 177.738 176.094 -0.019 0.000 1.028 80 V CA 1.583 63.849 62.300 -0.058 0.000 1.074 80 V CB 1.156 32.947 31.823 -0.054 0.000 0.958 80 V HN 0.805 nan 8.190 nan 0.000 0.481 81 T N -1.167 113.398 114.554 0.019 0.000 2.975 81 T HA -0.021 4.330 4.350 0.001 0.000 0.261 81 T C 1.300 176.008 174.700 0.013 0.000 0.984 81 T CA 0.487 62.595 62.100 0.014 0.000 0.911 81 T CB 0.190 69.074 68.868 0.027 0.000 1.127 81 T HN 0.697 nan 8.240 nan 0.000 0.514 82 T N 0.724 115.289 114.554 0.017 0.000 3.044 82 T HA 0.450 4.801 4.350 0.001 0.000 0.250 82 T C 0.563 175.268 174.700 0.008 0.000 1.081 82 T CA 0.369 62.477 62.100 0.013 0.000 1.040 82 T CB -0.233 68.644 68.868 0.016 0.000 0.962 82 T HN 0.685 nan 8.240 nan 0.000 0.506 83 V N -2.082 117.835 119.914 0.004 0.000 3.147 83 V HA 0.796 4.916 4.120 0.001 0.000 0.306 83 V C -1.622 174.471 176.094 -0.002 0.000 1.209 83 V CA -1.655 60.646 62.300 0.001 0.000 1.023 83 V CB 2.328 34.152 31.823 0.001 0.000 1.059 83 V HN 0.210 nan 8.190 nan 0.000 0.435 84 R N 1.421 121.920 120.500 -0.002 0.000 2.837 84 R HA 0.660 5.001 4.340 0.001 0.000 0.271 84 R C -2.977 173.322 176.300 -0.002 0.000 0.993 84 R CA -2.124 53.973 56.100 -0.004 0.000 0.931 84 R CB 2.393 32.691 30.300 -0.004 0.000 1.206 84 R HN 0.516 nan 8.270 nan 0.000 0.474 85 P HA -0.068 nan 4.420 nan 0.000 0.263 85 P C 0.566 177.868 177.300 0.003 0.000 1.175 85 P CA 1.320 64.422 63.100 0.002 0.000 0.761 85 P CB 0.492 32.193 31.700 0.001 0.000 0.794 86 G N 1.750 110.552 108.800 0.004 0.000 2.268 86 G HA2 -0.191 3.770 3.960 0.001 0.000 0.240 86 G HA3 -0.191 3.770 3.960 0.001 0.000 0.240 86 G C -0.011 174.889 174.900 -0.001 0.000 1.010 86 G CA -0.244 44.858 45.100 0.002 0.000 0.618 86 G HN 0.515 nan 8.290 nan 0.000 0.516 87 D N 1.642 122.041 120.400 -0.002 0.000 2.372 87 D HA 0.391 5.032 4.640 0.001 0.000 0.243 87 D C 0.731 177.027 176.300 -0.007 0.000 1.121 87 D CA 0.243 54.242 54.000 -0.003 0.000 0.898 87 D CB 0.712 41.511 40.800 -0.002 0.000 1.202 87 D HN 0.361 nan 8.370 nan 0.000 0.428 88 K N 0.735 121.131 120.400 -0.006 0.000 2.322 88 K HA 0.376 4.697 4.320 0.001 0.000 0.283 88 K C -0.100 176.496 176.600 -0.008 0.000 1.042 88 K CA -0.535 55.746 56.287 -0.010 0.000 0.958 88 K CB 1.091 33.587 32.500 -0.006 0.000 0.984 88 K HN 0.262 nan 8.250 nan 0.000 0.473 89 V N 0.002 119.909 119.914 -0.013 0.000 3.159 89 V HA 0.625 4.745 4.120 0.001 0.000 0.308 89 V C -0.706 175.384 176.094 -0.007 0.000 1.190 89 V CA -1.140 61.155 62.300 -0.008 0.000 1.037 89 V CB 1.865 33.683 31.823 -0.008 0.000 1.060 89 V HN 0.633 nan 8.190 nan 0.000 0.437 90 I N 2.260 122.832 120.570 0.003 0.000 2.447 90 I HA 0.508 4.679 4.170 0.001 0.000 0.287 90 I C -2.677 173.445 176.117 0.008 0.000 1.023 90 I CA -2.113 59.195 61.300 0.013 0.000 1.083 90 I CB 2.880 40.900 38.000 0.034 0.000 1.245 90 I HN 0.489 nan 8.210 nan 0.000 0.434 91 P HA 0.182 nan 4.420 nan 0.000 0.268 91 P C -1.034 176.252 177.300 -0.023 0.000 1.205 91 P CA -0.052 63.052 63.100 0.006 0.000 0.771 91 P CB 0.476 32.196 31.700 0.034 0.000 0.858 92 L N 4.070 125.242 121.223 -0.084 0.000 2.295 92 L HA 0.356 4.696 4.340 0.001 0.000 0.281 92 L C 1.322 178.041 176.870 -0.251 0.000 1.018 92 L CA -0.601 54.086 54.840 -0.255 0.000 0.841 92 L CB 0.400 42.308 42.059 -0.252 0.000 1.218 92 L HN 0.425 nan 8.230 nan 0.000 0.424 93 F N 0.148 119.960 119.950 -0.229 0.000 2.365 93 F HA 0.023 4.551 4.527 0.001 0.000 0.300 93 F C 0.863 176.549 175.800 -0.190 0.000 1.090 93 F CA 0.095 57.986 58.000 -0.182 0.000 1.408 93 F CB -0.506 38.425 39.000 -0.116 0.000 1.060 93 F HN 0.253 nan 8.300 nan 0.000 0.534 94 T N 4.174 118.147 114.554 -0.967 0.000 2.781 94 T HA 0.360 4.711 4.350 0.001 0.000 0.305 94 T C -2.458 172.032 174.700 -0.350 0.000 1.001 94 T CA -1.414 60.369 62.100 -0.529 0.000 0.950 94 T CB 1.288 69.821 68.868 -0.559 0.000 0.955 94 T HN -0.096 nan 8.240 nan 0.000 0.471 95 P HA 0.235 nan 4.420 nan 0.000 0.273 95 P C -0.553 176.685 177.300 -0.104 0.000 1.250 95 P CA -0.555 62.458 63.100 -0.145 0.000 0.793 95 P CB 0.555 32.182 31.700 -0.122 0.000 1.011 96 Q N 0.319 120.077 119.800 -0.071 0.000 2.891 96 Q HA 0.208 4.549 4.340 0.001 0.000 0.242 96 Q C 0.540 176.519 176.000 -0.036 0.000 0.959 96 Q CA -0.374 55.408 55.803 -0.036 0.000 0.707 96 Q CB -0.131 28.604 28.738 -0.006 0.000 1.283 96 Q HN 0.660 nan 8.270 nan 0.000 0.480 97 C N 0.580 119.851 119.300 -0.048 0.000 2.435 97 C HA 0.298 4.758 4.460 0.001 0.000 0.279 97 C C 1.699 176.667 174.990 -0.036 0.000 1.321 97 C CA 0.951 59.939 59.018 -0.051 0.000 1.752 97 C CB -1.024 26.678 27.740 -0.064 0.000 1.959 97 C HN 1.038 nan 8.230 nan 0.000 0.500 98 G N 0.524 109.311 108.800 -0.022 0.000 2.179 98 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 98 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 98 G C 0.837 175.731 174.900 -0.010 0.000 0.977 98 G CA 0.816 45.911 45.100 -0.008 0.000 0.641 98 G HN 0.644 nan 8.290 nan 0.000 0.533 99 K N -0.633 119.755 120.400 -0.021 0.000 2.435 99 K HA 0.267 4.588 4.320 0.001 0.000 0.199 99 K C 1.780 178.370 176.600 -0.017 0.000 1.153 99 K CA 0.418 56.693 56.287 -0.020 0.000 0.974 99 K CB 0.483 32.964 32.500 -0.032 0.000 0.997 99 K HN 0.702 nan 8.250 nan 0.000 0.547 100 C N 0.399 119.685 119.300 -0.023 0.000 2.649 100 C HA 0.303 4.764 4.460 0.001 0.000 0.377 100 C C 1.771 176.761 174.990 0.000 0.000 1.321 100 C CA -0.743 58.262 59.018 -0.022 0.000 2.368 100 C CB 0.832 28.546 27.740 -0.042 0.000 2.597 100 C HN 0.445 nan 8.230 nan 0.000 0.678 101 R N 0.375 120.878 120.500 0.005 0.000 2.119 101 R HA -0.116 4.225 4.340 0.001 0.000 0.246 101 R C 1.984 178.319 176.300 0.057 0.000 1.146 101 R CA 2.252 58.371 56.100 0.031 0.000 0.962 101 R CB -0.403 29.909 30.300 0.020 0.000 0.863 101 R HN 0.819 nan 8.270 nan 0.000 0.442 102 V N -0.682 119.249 119.914 0.028 0.000 2.323 102 V HA -0.279 3.841 4.120 0.001 0.000 0.244 102 V C 2.364 178.503 176.094 0.075 0.000 1.041 102 V CA 1.603 63.928 62.300 0.042 0.000 1.025 102 V CB -0.360 31.468 31.823 0.008 0.000 0.656 102 V HN 0.512 nan 8.190 nan 0.000 0.451 103 C N -0.005 119.320 119.300 0.042 0.000 2.411 103 C HA -0.148 4.313 4.460 0.001 0.000 0.279 103 C C 2.593 177.620 174.990 0.062 0.000 1.288 103 C CA 0.979 60.024 59.018 0.046 0.000 1.764 103 C CB -1.099 26.650 27.740 0.016 0.000 1.974 103 C HN 0.526 nan 8.230 nan 0.000 0.498 104 K N -0.806 119.632 120.400 0.063 0.000 2.459 104 K HA -0.006 4.314 4.320 0.001 0.000 0.193 104 K C 0.812 177.457 176.600 0.074 0.000 1.030 104 K CA 0.169 56.488 56.287 0.054 0.000 1.026 104 K CB -0.092 32.430 32.500 0.036 0.000 0.809 104 K HN 0.593 nan 8.250 nan 0.000 0.504 105 H N 1.674 120.756 119.070 0.020 0.000 2.580 105 H HA 0.065 4.621 4.556 0.000 0.000 0.322 105 H C -1.836 173.509 175.328 0.029 0.000 1.082 105 H CA -1.959 54.103 56.048 0.023 0.000 1.383 105 H CB 1.557 31.335 29.762 0.025 0.000 1.450 105 H HN -0.099 nan 8.280 nan 0.000 0.505 106 P HA -0.124 nan 4.420 nan 0.000 0.219 106 P C 0.503 177.891 177.300 0.146 0.000 1.146 106 P CA 1.098 64.203 63.100 0.007 0.000 0.808 106 P CB 0.633 32.280 31.700 -0.090 0.000 0.779 107 E N -0.640 119.795 120.200 0.392 0.000 2.489 107 E HA 0.196 4.547 4.350 0.001 0.000 0.204 107 E C 1.272 177.980 176.600 0.180 0.000 1.006 107 E CA 0.100 56.669 56.400 0.281 0.000 0.936 107 E CB 0.126 29.986 29.700 0.267 0.000 1.002 107 E HN 0.170 nan 8.360 nan 0.000 0.488 108 G N 1.892 110.812 108.800 0.200 0.000 2.425 108 G HA2 0.295 4.256 3.960 0.001 0.000 0.302 108 G HA3 0.295 4.256 3.960 0.001 0.000 0.302 108 G C 0.498 175.463 174.900 0.109 0.000 1.159 108 G CA -0.343 44.797 45.100 0.067 0.000 0.865 108 G HN 0.119 nan 8.290 nan 0.000 0.515 109 N N -0.195 118.578 118.700 0.121 0.000 2.011 109 N HA 0.012 4.753 4.740 0.001 0.000 0.228 109 N C -0.322 175.303 175.510 0.192 0.000 1.378 109 N CA -0.371 52.769 53.050 0.150 0.000 0.852 109 N CB 0.305 38.894 38.487 0.170 0.000 1.111 109 N HN 0.289 nan 8.380 nan 0.000 0.497 110 F N 3.652 123.607 119.950 0.008 0.000 2.626 110 F HA 0.344 4.872 4.527 0.001 0.000 0.353 110 F C 0.539 176.329 175.800 -0.017 0.000 1.230 110 F CA -1.692 56.305 58.000 -0.005 0.000 1.298 110 F CB -0.791 38.206 39.000 -0.005 0.000 1.670 110 F HN 0.140 nan 8.300 nan 0.000 0.633 111 C N 5.854 125.089 119.300 -0.109 0.000 2.465 111 C HA -0.016 4.445 4.460 0.001 0.000 0.402 111 C C 1.979 176.778 174.990 -0.319 0.000 1.448 111 C CA -0.329 58.590 59.018 -0.165 0.000 1.589 111 C CB -0.909 26.762 27.740 -0.115 0.000 2.535 111 C HN 0.842 nan 8.230 nan 0.000 0.600 112 L N 4.607 125.689 121.223 -0.235 0.000 2.642 112 L HA -0.042 4.299 4.340 0.001 0.000 0.236 112 L C 2.020 178.763 176.870 -0.213 0.000 1.169 112 L CA 0.930 55.624 54.840 -0.243 0.000 0.851 112 L CB -0.557 41.417 42.059 -0.142 0.000 0.968 112 L HN 0.704 nan 8.230 nan 0.000 0.453 113 K N 0.666 120.951 120.400 -0.191 0.000 2.404 113 K HA 0.060 4.380 4.320 0.001 0.000 0.194 113 K C 0.303 176.801 176.600 -0.169 0.000 1.023 113 K CA -0.098 56.099 56.287 -0.150 0.000 1.094 113 K CB -0.607 31.823 32.500 -0.117 0.000 0.841 113 K HN 0.494 nan 8.250 nan 0.000 0.523 114 N N 0.655 119.202 118.700 -0.254 0.000 2.416 114 N HA -0.086 4.655 4.740 0.001 0.000 0.246 114 N C 0.026 175.447 175.510 -0.149 0.000 1.260 114 N CA 0.074 52.987 53.050 -0.228 0.000 0.897 114 N CB 0.585 38.839 38.487 -0.388 0.000 1.110 114 N HN -0.216 nan 8.380 nan 0.000 0.439 115 D N 0.246 120.594 120.400 -0.086 0.000 2.525 115 D HA 0.109 4.750 4.640 0.001 0.000 0.229 115 D C 0.408 176.695 176.300 -0.022 0.000 1.202 115 D CA -0.297 53.672 54.000 -0.052 0.000 0.828 115 D CB -0.009 40.763 40.800 -0.047 0.000 1.008 115 D HN 0.525 nan 8.370 nan 0.000 0.493 116 L N -0.539 120.700 121.223 0.028 0.000 2.189 116 L HA 0.209 4.549 4.340 0.001 0.000 0.199 116 L C 2.000 178.951 176.870 0.136 0.000 1.074 116 L CA 1.267 56.173 54.840 0.110 0.000 0.783 116 L CB -0.838 41.384 42.059 0.271 0.000 0.955 116 L HN -0.088 nan 8.230 nan 0.000 0.460 117 S N 0.175 115.983 115.700 0.180 0.000 2.368 117 S HA -0.095 4.375 4.470 0.001 0.000 0.226 117 S C 0.931 175.575 174.600 0.073 0.000 1.044 117 S CA 1.669 59.961 58.200 0.153 0.000 1.062 117 S CB -0.267 63.009 63.200 0.128 0.000 0.931 117 S HN 0.365 nan 8.310 nan 0.000 0.440 118 M N 1.185 120.807 119.600 0.037 0.000 1.986 118 M HA 0.348 4.829 4.480 0.001 0.000 0.247 118 M C -3.125 173.185 176.300 0.017 0.000 0.851 118 M CA -1.888 53.425 55.300 0.023 0.000 0.785 118 M CB 0.839 33.445 32.600 0.010 0.000 1.554 118 M HN -0.142 nan 8.290 nan 0.000 0.361 119 P HA 0.170 nan 4.420 nan 0.000 0.264 119 P C 0.477 177.788 177.300 0.018 0.000 1.193 119 P CA 0.187 63.305 63.100 0.030 0.000 0.763 119 P CB 1.003 32.740 31.700 0.062 0.000 0.810 120 R N 2.313 122.828 120.500 0.025 0.000 2.316 120 R HA 0.175 4.516 4.340 0.001 0.000 0.201 120 R C 0.967 177.309 176.300 0.070 0.000 0.888 120 R CA 0.637 56.756 56.100 0.032 0.000 1.041 120 R CB 0.064 30.385 30.300 0.036 0.000 1.115 120 R HN 0.799 nan 8.270 nan 0.000 0.559 121 G N 2.058 110.922 108.800 0.107 0.000 2.246 121 G HA2 -0.287 3.673 3.960 0.001 0.000 0.273 121 G HA3 -0.287 3.673 3.960 0.001 0.000 0.273 121 G C 0.036 175.149 174.900 0.355 0.000 1.055 121 G CA 0.859 46.097 45.100 0.229 0.000 0.851 121 G HN 0.496 nan 8.290 nan 0.000 0.500 122 T N -3.792 110.875 114.554 0.188 0.000 2.742 122 T HA 0.806 5.157 4.350 0.001 0.000 0.282 122 T C 0.725 175.316 174.700 -0.182 0.000 1.025 122 T CA -1.081 61.065 62.100 0.076 0.000 1.020 122 T CB 1.503 70.411 68.868 0.066 0.000 1.317 122 T HN 0.134 nan 8.240 nan 0.000 0.538 123 M N 1.211 120.599 119.600 -0.355 0.000 2.036 123 M HA 0.251 4.731 4.480 0.001 0.000 0.276 123 M C 1.711 177.924 176.300 -0.146 0.000 1.262 123 M CA -0.246 54.864 55.300 -0.317 0.000 1.097 123 M CB 0.044 32.468 32.600 -0.293 0.000 1.386 123 M HN 0.709 nan 8.290 nan 0.000 0.482 124 Q N 0.970 120.702 119.800 -0.114 0.000 2.226 124 Q HA -0.160 4.181 4.340 0.001 0.000 0.204 124 Q C 0.991 176.955 176.000 -0.060 0.000 0.975 124 Q CA 1.532 57.289 55.803 -0.077 0.000 0.866 124 Q CB -0.418 28.277 28.738 -0.071 0.000 0.915 124 Q HN 0.719 nan 8.270 nan 0.000 0.440 125 D N -1.127 119.236 120.400 -0.061 0.000 2.336 125 D HA 0.025 4.666 4.640 0.001 0.000 0.229 125 D C 1.051 177.333 176.300 -0.030 0.000 1.061 125 D CA 0.810 54.786 54.000 -0.041 0.000 0.875 125 D CB -0.188 40.592 40.800 -0.034 0.000 0.904 125 D HN 0.259 nan 8.370 nan 0.000 0.525 126 G N -0.222 108.560 108.800 -0.031 0.000 2.159 126 G HA2 -0.250 3.711 3.960 0.001 0.000 0.256 126 G HA3 -0.250 3.711 3.960 0.001 0.000 0.256 126 G C 0.424 175.331 174.900 0.012 0.000 0.977 126 G CA 0.724 45.822 45.100 -0.003 0.000 0.652 126 G HN 0.879 nan 8.290 nan 0.000 0.531 127 T N -2.474 112.073 114.554 -0.012 0.000 2.940 127 T HA 0.783 5.133 4.350 0.001 0.000 0.288 127 T C -0.081 174.619 174.700 0.001 0.000 1.045 127 T CA 0.360 62.462 62.100 0.003 0.000 1.018 127 T CB 2.248 71.112 68.868 -0.006 0.000 1.151 127 T HN 1.224 nan 8.240 nan 0.000 0.529 128 S N -0.698 115.036 115.700 0.057 0.000 2.537 128 S HA 0.497 4.968 4.470 0.001 0.000 0.301 128 S C 0.515 175.179 174.600 0.106 0.000 1.092 128 S CA -0.952 57.354 58.200 0.178 0.000 1.048 128 S CB 1.139 64.476 63.200 0.229 0.000 1.053 128 S HN 0.657 nan 8.310 nan 0.000 0.501 129 R N 1.740 122.323 120.500 0.138 0.000 2.362 129 R HA 0.244 4.585 4.340 0.001 0.000 0.227 129 R C -0.952 175.160 176.300 -0.312 0.000 0.905 129 R CA 0.200 56.202 56.100 -0.163 0.000 1.067 129 R CB -0.408 29.727 30.300 -0.275 0.000 1.078 129 R HN 0.513 nan 8.270 nan 0.000 0.516 130 F N 0.644 120.611 119.950 0.028 0.000 2.469 130 F HA 0.369 4.897 4.527 0.001 0.000 0.332 130 F C 0.773 176.559 175.800 -0.022 0.000 1.103 130 F CA -0.821 57.152 58.000 -0.044 0.000 0.979 130 F CB 1.806 40.718 39.000 -0.146 0.000 1.137 130 F HN -0.195 nan 8.300 nan 0.000 0.463 131 T N -1.056 113.623 114.554 0.209 0.000 2.903 131 T HA 0.569 4.920 4.350 0.001 0.000 0.299 131 T C -1.446 173.331 174.700 0.129 0.000 1.093 131 T CA -0.916 61.264 62.100 0.133 0.000 1.002 131 T CB 1.467 70.392 68.868 0.096 0.000 1.127 131 T HN 0.809 nan 8.240 nan 0.000 0.488 132 C N 2.909 122.290 119.300 0.135 0.000 2.381 132 C HA 0.748 5.208 4.460 0.001 0.000 0.328 132 C C 0.600 175.697 174.990 0.179 0.000 1.190 132 C CA -0.386 58.732 59.018 0.167 0.000 1.369 132 C CB -0.583 27.287 27.740 0.216 0.000 2.029 132 C HN 1.172 nan 8.230 nan 0.000 0.448 133 R N 3.887 124.466 120.500 0.133 0.000 3.416 133 R HA -0.152 4.189 4.340 0.001 0.000 0.263 133 R C 1.266 177.617 176.300 0.086 0.000 1.053 133 R CA 1.501 57.661 56.100 0.100 0.000 0.705 133 R CB -1.504 28.854 30.300 0.098 0.000 1.124 133 R HN 2.192 nan 8.270 nan 0.000 0.444 134 G N -0.972 107.877 108.800 0.082 0.000 2.212 134 G HA2 -0.440 3.521 3.960 0.001 0.000 0.266 134 G HA3 -0.440 3.521 3.960 0.001 0.000 0.266 134 G C 0.210 175.155 174.900 0.074 0.000 0.978 134 G CA 0.746 45.886 45.100 0.067 0.000 0.632 134 G HN 0.456 nan 8.290 nan 0.000 0.537 135 K N 1.489 121.951 120.400 0.103 0.000 2.234 135 K HA 0.508 4.829 4.320 0.001 0.000 0.282 135 K C -2.432 174.226 176.600 0.097 0.000 1.039 135 K CA -2.102 54.250 56.287 0.109 0.000 0.928 135 K CB 1.183 33.780 32.500 0.161 0.000 1.039 135 K HN 0.016 nan 8.250 nan 0.000 0.470 136 P HA 0.076 nan 4.420 nan 0.000 0.271 136 P C -0.876 176.412 177.300 -0.021 0.000 1.216 136 P CA -0.130 62.982 63.100 0.019 0.000 0.776 136 P CB 0.542 32.225 31.700 -0.027 0.000 0.881 137 I N 2.683 123.252 120.570 -0.002 0.000 2.509 137 I HA 0.312 4.482 4.170 0.001 0.000 0.293 137 I C 0.688 176.804 176.117 -0.001 0.000 1.020 137 I CA -0.782 60.490 61.300 -0.046 0.000 1.088 137 I CB 1.109 39.051 38.000 -0.097 0.000 1.267 137 I HN 0.442 nan 8.210 nan 0.000 0.430 138 H N 3.989 123.123 119.070 0.107 0.000 2.603 138 H HA 0.298 4.855 4.556 0.001 0.000 0.370 138 H C 0.156 175.617 175.328 0.221 0.000 1.225 138 H CA 0.167 56.335 56.048 0.200 0.000 1.410 138 H CB 0.731 30.589 29.762 0.161 0.000 1.495 138 H HN 0.419 nan 8.280 nan 0.000 0.602 139 H N 0.199 119.515 119.070 0.409 0.000 2.500 139 H HA 0.197 4.754 4.556 0.001 0.000 0.351 139 H C -0.913 174.629 175.328 0.356 0.000 1.281 139 H CA -0.344 55.938 56.048 0.390 0.000 1.368 139 H CB 1.366 31.310 29.762 0.303 0.000 1.616 139 H HN 0.363 nan 8.280 nan 0.000 0.591 140 F N 1.221 121.318 119.950 0.246 0.000 2.562 140 F HA 0.192 4.720 4.527 0.001 0.000 0.319 140 F C -0.012 175.855 175.800 0.112 0.000 1.154 140 F CA -0.839 57.236 58.000 0.124 0.000 0.931 140 F CB 0.275 39.304 39.000 0.047 0.000 1.198 140 F HN 0.545 nan 8.300 nan 0.000 0.444 141 L N 5.945 126.887 121.223 -0.469 0.000 3.976 141 L HA -0.287 4.054 4.340 0.001 0.000 0.418 141 L C 1.191 177.989 176.870 -0.121 0.000 1.177 141 L CA 0.951 55.541 54.840 -0.417 0.000 0.968 141 L CB -1.964 39.656 42.059 -0.731 0.000 1.933 141 L HN 1.251 nan 8.230 nan 0.000 0.976 142 G N -0.790 108.004 108.800 -0.010 0.000 2.203 142 G HA2 -0.391 3.570 3.960 0.001 0.000 0.263 142 G HA3 -0.391 3.570 3.960 0.001 0.000 0.263 142 G C 0.709 175.660 174.900 0.086 0.000 1.012 142 G CA 1.500 46.620 45.100 0.033 0.000 0.749 142 G HN 0.698 nan 8.290 nan 0.000 0.512 143 T N -4.991 109.643 114.554 0.132 0.000 3.330 143 T HA 0.489 4.839 4.350 0.001 0.000 0.240 143 T C 1.123 175.950 174.700 0.212 0.000 0.988 143 T CA 1.084 63.271 62.100 0.145 0.000 1.253 143 T CB 0.288 69.229 68.868 0.121 0.000 1.163 143 T HN 1.339 nan 8.240 nan 0.000 0.382 144 S N 1.865 117.695 115.700 0.217 0.000 3.578 144 S HA -0.118 4.352 4.470 0.001 0.000 0.449 144 S C 0.789 175.437 174.600 0.081 0.000 0.853 144 S CA 0.670 58.974 58.200 0.173 0.000 1.348 144 S CB -1.707 61.652 63.200 0.265 0.000 0.907 144 S HN 1.119 nan 8.310 nan 0.000 0.627 145 T N -2.295 112.245 114.554 -0.023 0.000 3.086 145 T HA 0.282 4.633 4.350 0.001 0.000 0.250 145 T C 0.359 175.154 174.700 0.158 0.000 1.074 145 T CA -0.055 62.050 62.100 0.009 0.000 0.988 145 T CB -0.180 68.693 68.868 0.008 0.000 0.988 145 T HN 0.329 nan 8.240 nan 0.000 0.530 146 F N 2.943 122.939 119.950 0.076 0.000 2.733 146 F HA 0.676 5.204 4.527 0.001 0.000 0.344 146 F C 0.767 176.599 175.800 0.053 0.000 1.179 146 F CA -1.535 56.548 58.000 0.138 0.000 1.316 146 F CB -1.031 38.036 39.000 0.111 0.000 1.577 146 F HN 0.191 nan 8.300 nan 0.000 0.591 147 S N -0.502 115.204 115.700 0.010 0.000 2.537 147 S HA 0.273 4.744 4.470 0.001 0.000 0.271 147 S C 0.581 174.953 174.600 -0.379 0.000 1.148 147 S CA -0.525 57.612 58.200 -0.105 0.000 0.868 147 S CB 1.376 64.556 63.200 -0.033 0.000 1.115 147 S HN 0.383 nan 8.310 nan 0.000 0.461 148 Q N 0.903 120.538 119.800 -0.275 0.000 2.226 148 Q HA 0.006 4.346 4.340 0.001 0.000 0.204 148 Q C -0.669 174.939 176.000 -0.654 0.000 0.975 148 Q CA 1.388 56.893 55.803 -0.498 0.000 0.866 148 Q CB 0.051 28.738 28.738 -0.085 0.000 0.915 148 Q HN 0.647 nan 8.270 nan 0.000 0.440 149 Y N -1.539 118.671 120.300 -0.150 0.000 2.492 149 Y HA 0.404 4.955 4.550 0.001 0.000 0.346 149 Y C -0.144 175.791 175.900 0.059 0.000 0.997 149 Y CA -0.723 57.337 58.100 -0.066 0.000 1.025 149 Y CB 2.506 40.960 38.460 -0.011 0.000 1.263 149 Y HN -0.312 nan 8.280 nan 0.000 0.454 150 T N 1.517 116.189 114.554 0.197 0.000 2.883 150 T HA 0.799 5.150 4.350 0.001 0.000 0.296 150 T C -1.931 172.845 174.700 0.126 0.000 1.117 150 T CA -0.558 61.690 62.100 0.247 0.000 1.006 150 T CB 1.231 70.236 68.868 0.228 0.000 1.191 150 T HN 0.336 nan 8.240 nan 0.000 0.508 151 V N 3.318 123.272 119.914 0.067 0.000 2.531 151 V HA 0.757 4.878 4.120 0.001 0.000 0.301 151 V C -0.092 176.038 176.094 0.059 0.000 1.034 151 V CA -0.664 61.649 62.300 0.022 0.000 0.865 151 V CB 1.284 33.070 31.823 -0.061 0.000 0.995 151 V HN 0.877 nan 8.190 nan 0.000 0.424 152 V N 0.369 120.300 119.914 0.028 0.000 3.040 152 V HA 0.693 4.813 4.120 0.001 0.000 0.312 152 V C -0.508 175.575 176.094 -0.017 0.000 1.115 152 V CA -0.865 61.444 62.300 0.014 0.000 0.998 152 V CB 2.257 34.099 31.823 0.031 0.000 1.042 152 V HN 0.726 nan 8.190 nan 0.000 0.433 153 D N 1.509 121.889 120.400 -0.033 0.000 2.372 153 D HA 0.100 4.741 4.640 0.001 0.000 0.243 153 D C 0.888 177.183 176.300 -0.008 0.000 1.121 153 D CA 0.370 54.355 54.000 -0.025 0.000 0.898 153 D CB 2.026 42.800 40.800 -0.044 0.000 1.202 153 D HN 0.937 nan 8.370 nan 0.000 0.428 154 E N 1.326 121.536 120.200 0.017 0.000 2.130 154 E HA -0.213 4.138 4.350 0.001 0.000 0.196 154 E C 1.972 178.571 176.600 -0.002 0.000 0.998 154 E CA 1.077 57.490 56.400 0.022 0.000 0.806 154 E CB -0.077 29.663 29.700 0.066 0.000 0.738 154 E HN 0.617 nan 8.360 nan 0.000 0.459 155 I N -1.835 118.724 120.570 -0.019 0.000 3.083 155 I HA -0.039 4.132 4.170 0.001 0.000 0.273 155 I C 1.135 177.222 176.117 -0.049 0.000 1.297 155 I CA 0.798 62.076 61.300 -0.036 0.000 1.452 155 I CB 0.253 38.221 38.000 -0.053 0.000 1.078 155 I HN -0.132 nan 8.210 nan 0.000 0.484 156 S N 0.566 116.239 115.700 -0.045 0.000 2.588 156 S HA 0.450 4.921 4.470 0.001 0.000 0.245 156 S C -0.106 174.468 174.600 -0.042 0.000 1.021 156 S CA -0.312 57.853 58.200 -0.058 0.000 1.006 156 S CB 0.463 63.633 63.200 -0.050 0.000 0.830 156 S HN 0.307 nan 8.310 nan 0.000 0.468 157 V N 0.911 120.807 119.914 -0.030 0.000 3.012 157 V HA 0.890 5.010 4.120 0.001 0.000 0.307 157 V C -1.679 174.408 176.094 -0.011 0.000 1.166 157 V CA -0.594 61.695 62.300 -0.018 0.000 0.974 157 V CB 2.010 33.829 31.823 -0.006 0.000 1.040 157 V HN 0.258 nan 8.190 nan 0.000 0.428 158 A N 4.942 127.759 122.820 -0.005 0.000 2.435 158 A HA 0.757 5.078 4.320 0.001 0.000 0.304 158 A C -0.798 176.790 177.584 0.006 0.000 1.064 158 A CA -0.796 51.244 52.037 0.004 0.000 0.727 158 A CB 1.738 20.745 19.000 0.013 0.000 1.284 158 A HN 0.880 nan 8.150 nan 0.000 0.415 159 K N 1.983 122.387 120.400 0.007 0.000 2.298 159 K HA 0.544 4.865 4.320 0.001 0.000 0.280 159 K C -0.464 176.141 176.600 0.008 0.000 1.032 159 K CA -0.138 56.152 56.287 0.006 0.000 0.958 159 K CB 0.278 32.781 32.500 0.005 0.000 0.978 159 K HN 0.705 nan 8.250 nan 0.000 0.472 160 I N -0.911 119.663 120.570 0.007 0.000 3.206 160 I HA 0.351 4.522 4.170 0.001 0.000 0.313 160 I C -0.302 175.820 176.117 0.008 0.000 1.103 160 I CA -1.211 60.095 61.300 0.009 0.000 0.985 160 I CB 1.427 39.433 38.000 0.009 0.000 1.240 160 I HN 0.500 nan 8.210 nan 0.000 0.464 161 D N 2.029 122.436 120.400 0.012 0.000 2.586 161 D HA -0.013 4.627 4.640 0.001 0.000 0.234 161 D C 1.104 177.409 176.300 0.009 0.000 1.132 161 D CA 0.763 54.769 54.000 0.010 0.000 0.860 161 D CB 1.610 42.419 40.800 0.015 0.000 1.159 161 D HN 0.741 nan 8.370 nan 0.000 0.490 162 A N 3.858 126.681 122.820 0.004 0.000 2.125 162 A HA 0.009 4.330 4.320 0.001 0.000 0.219 162 A C 1.815 179.402 177.584 0.005 0.000 1.156 162 A CA 1.521 53.560 52.037 0.003 0.000 0.671 162 A CB -0.052 18.948 19.000 0.000 0.000 0.794 162 A HN 0.602 nan 8.150 nan 0.000 0.459 163 A N -0.109 122.715 122.820 0.006 0.000 2.345 163 A HA 0.424 4.744 4.320 0.001 0.000 0.225 163 A C 0.928 178.527 177.584 0.025 0.000 1.243 163 A CA 0.269 52.311 52.037 0.008 0.000 0.875 163 A CB -0.357 18.641 19.000 -0.002 0.000 0.929 163 A HN 0.348 nan 8.150 nan 0.000 0.502 164 S N 2.152 117.873 115.700 0.034 0.000 2.562 164 S HA 0.370 4.841 4.470 0.001 0.000 0.281 164 S C -2.725 171.906 174.600 0.052 0.000 1.333 164 S CA -0.828 57.410 58.200 0.063 0.000 1.052 164 S CB 0.207 63.432 63.200 0.043 0.000 0.884 164 S HN 0.291 nan 8.310 nan 0.000 0.506 165 P HA 0.275 nan 4.420 nan 0.000 0.284 165 P C 0.349 177.647 177.300 -0.003 0.000 1.343 165 P CA -0.363 62.768 63.100 0.051 0.000 0.826 165 P CB 0.265 32.025 31.700 0.100 0.000 0.956 166 L N 2.153 123.373 121.223 -0.004 0.000 2.201 166 L HA -0.144 4.196 4.340 0.001 0.000 0.212 166 L C 1.910 178.768 176.870 -0.019 0.000 1.105 166 L CA 1.410 56.239 54.840 -0.018 0.000 0.775 166 L CB -0.687 41.368 42.059 -0.006 0.000 0.913 166 L HN 0.361 nan 8.230 nan 0.000 0.440 167 E N 0.392 120.588 120.200 -0.006 0.000 2.338 167 E HA -0.175 4.175 4.350 0.001 0.000 0.197 167 E C 1.761 178.340 176.600 -0.035 0.000 1.007 167 E CA 0.843 57.242 56.400 -0.002 0.000 0.849 167 E CB 0.138 29.844 29.700 0.010 0.000 0.774 167 E HN 0.564 nan 8.360 nan 0.000 0.506 168 K N 0.158 120.509 120.400 -0.082 0.000 2.286 168 K HA 0.020 4.341 4.320 0.001 0.000 0.203 168 K C 2.208 178.632 176.600 -0.294 0.000 1.078 168 K CA 0.767 56.952 56.287 -0.171 0.000 0.957 168 K CB 0.183 32.572 32.500 -0.186 0.000 1.018 168 K HN 0.016 nan 8.250 nan 0.000 0.484 169 V N 1.029 120.745 119.914 -0.329 0.000 3.078 169 V HA -0.198 3.923 4.120 0.001 0.000 0.265 169 V C 2.402 178.401 176.094 -0.158 0.000 1.122 169 V CA 1.325 63.417 62.300 -0.346 0.000 1.141 169 V CB -1.711 29.948 31.823 -0.275 0.000 0.735 169 V HN 0.447 nan 8.190 nan 0.000 0.498 170 C N -0.069 119.176 119.300 -0.092 0.000 2.403 170 C HA -0.094 4.367 4.460 0.001 0.000 0.282 170 C C 2.447 177.441 174.990 0.006 0.000 1.297 170 C CA 0.699 59.705 59.018 -0.020 0.000 1.785 170 C CB -2.017 25.728 27.740 0.009 0.000 1.963 170 C HN 0.581 nan 8.230 nan 0.000 0.507 171 L N 0.669 121.875 121.223 -0.029 0.000 2.261 171 L HA -0.091 4.250 4.340 0.001 0.000 0.216 171 L C 2.650 179.596 176.870 0.127 0.000 1.114 171 L CA 1.391 56.249 54.840 0.031 0.000 0.777 171 L CB -0.595 41.457 42.059 -0.013 0.000 0.910 171 L HN 0.360 nan 8.230 nan 0.000 0.440 172 I N -0.038 120.580 120.570 0.079 0.000 2.916 172 I HA -0.133 4.037 4.170 0.001 0.000 0.267 172 I C 2.394 178.704 176.117 0.320 0.000 1.263 172 I CA 0.850 62.263 61.300 0.189 0.000 1.471 172 I CB -0.506 37.539 38.000 0.076 0.000 1.089 172 I HN 0.244 nan 8.210 nan 0.000 0.468 173 G N -0.744 108.215 108.800 0.265 0.000 2.484 173 G HA2 -0.177 3.784 3.960 0.001 0.000 0.218 173 G HA3 -0.177 3.784 3.960 0.001 0.000 0.218 173 G C 1.294 176.515 174.900 0.534 0.000 1.130 173 G CA 0.957 46.248 45.100 0.319 0.000 0.784 173 G HN 0.497 nan 8.290 nan 0.000 0.543 174 C N -2.600 116.988 119.300 0.480 0.000 3.343 174 C HA 0.415 4.876 4.460 0.001 0.000 0.357 174 C C 2.866 178.084 174.990 0.379 0.000 1.965 174 C CA 1.441 60.805 59.018 0.576 0.000 1.798 174 C CB -0.501 27.429 27.740 0.316 0.000 2.074 174 C HN 0.350 nan 8.230 nan 0.000 0.575 175 G N 0.423 109.360 108.800 0.227 0.000 2.433 175 G HA2 -0.172 3.789 3.960 0.001 0.000 0.216 175 G HA3 -0.172 3.789 3.960 0.001 0.000 0.216 175 G C 1.332 176.323 174.900 0.151 0.000 1.186 175 G CA 1.479 46.678 45.100 0.165 0.000 0.779 175 G HN 0.579 nan 8.290 nan 0.000 0.543 176 F N 2.238 122.205 119.950 0.029 0.000 2.075 176 F HA -0.079 4.449 4.527 0.002 0.000 0.297 176 F C 2.939 178.725 175.800 -0.023 0.000 1.113 176 F CA 1.986 59.962 58.000 -0.039 0.000 1.218 176 F CB -0.412 38.513 39.000 -0.126 0.000 0.984 176 F HN 0.156 nan 8.300 nan 0.000 0.472 177 S N -0.416 115.265 115.700 -0.031 0.000 2.400 177 S HA -0.198 4.272 4.470 0.001 0.000 0.232 177 S C 1.949 176.451 174.600 -0.164 0.000 1.025 177 S CA 1.682 59.780 58.200 -0.169 0.000 0.993 177 S CB -0.753 62.221 63.200 -0.378 0.000 0.808 177 S HN 0.499 nan 8.310 nan 0.000 0.478 178 T N 1.472 115.989 114.554 -0.061 0.000 2.708 178 T HA -0.036 4.315 4.350 0.001 0.000 0.266 178 T C 2.072 176.712 174.700 -0.100 0.000 1.037 178 T CA 1.431 63.529 62.100 -0.004 0.000 1.146 178 T CB -0.761 68.195 68.868 0.147 0.000 0.865 178 T HN 0.557 nan 8.240 nan 0.000 0.435 179 G N -0.566 108.149 108.800 -0.141 0.000 2.394 179 G HA2 -0.173 3.788 3.960 0.001 0.000 0.214 179 G HA3 -0.173 3.788 3.960 0.001 0.000 0.214 179 G C 1.399 176.108 174.900 -0.318 0.000 1.176 179 G CA 0.441 45.421 45.100 -0.200 0.000 0.786 179 G HN 0.498 nan 8.290 nan 0.000 0.533 180 Y N 1.886 121.817 120.300 -0.614 0.000 2.145 180 Y HA -0.047 4.504 4.550 0.002 0.000 0.286 180 Y C 2.797 178.455 175.900 -0.403 0.000 1.145 180 Y CA 1.772 59.480 58.100 -0.654 0.000 1.148 180 Y CB -0.416 37.296 38.460 -1.247 0.000 0.981 180 Y HN 0.138 nan 8.280 nan 0.000 0.507 181 G N -1.392 107.253 108.800 -0.258 0.000 2.408 181 G HA2 -0.237 3.724 3.960 0.001 0.000 0.217 181 G HA3 -0.237 3.724 3.960 0.001 0.000 0.217 181 G C 1.875 176.479 174.900 -0.492 0.000 1.150 181 G CA 0.958 45.650 45.100 -0.681 0.000 0.776 181 G HN 0.421 nan 8.290 nan 0.000 0.542 182 S N 0.842 116.352 115.700 -0.317 0.000 2.380 182 S HA -0.145 4.326 4.470 0.001 0.000 0.229 182 S C 2.685 177.232 174.600 -0.088 0.000 1.043 182 S CA 1.531 59.649 58.200 -0.136 0.000 1.038 182 S CB -0.316 62.852 63.200 -0.052 0.000 0.872 182 S HN 0.628 nan 8.310 nan 0.000 0.456 183 A N 0.859 123.460 122.820 -0.365 0.000 1.835 183 A HA 0.039 4.360 4.320 0.001 0.000 0.213 183 A C 2.393 179.783 177.584 -0.324 0.000 1.210 183 A CA 1.408 53.215 52.037 -0.384 0.000 0.605 183 A CB -0.937 17.681 19.000 -0.637 0.000 0.860 183 A HN 0.583 nan 8.150 nan 0.000 0.447 184 V N -2.372 117.275 119.914 -0.445 0.000 2.871 184 V HA 0.061 4.181 4.120 0.001 0.000 0.256 184 V C 1.901 177.835 176.094 -0.266 0.000 1.082 184 V CA 2.569 64.655 62.300 -0.357 0.000 1.105 184 V CB -0.327 31.250 31.823 -0.410 0.000 0.713 184 V HN 0.414 nan 8.190 nan 0.000 0.473 185 K N 0.301 120.485 120.400 -0.360 0.000 2.286 185 K HA 0.298 4.619 4.320 0.001 0.000 0.203 185 K C 1.674 178.143 176.600 -0.218 0.000 1.078 185 K CA 1.641 57.723 56.287 -0.343 0.000 0.957 185 K CB -0.060 31.998 32.500 -0.737 0.000 1.018 185 K HN 0.300 nan 8.250 nan 0.000 0.484 186 V N 1.057 120.848 119.914 -0.203 0.000 2.283 186 V HA 0.052 4.172 4.120 0.001 0.000 0.239 186 V C 2.320 178.406 176.094 -0.014 0.000 1.035 186 V CA 1.774 64.021 62.300 -0.087 0.000 1.018 186 V CB -0.832 30.954 31.823 -0.061 0.000 0.658 186 V HN 0.354 nan 8.190 nan 0.000 0.459 187 A N -1.157 121.680 122.820 0.030 0.000 1.969 187 A HA -0.123 4.198 4.320 0.001 0.000 0.218 187 A C 1.364 178.915 177.584 -0.056 0.000 1.169 187 A CA 1.262 53.331 52.037 0.053 0.000 0.635 187 A CB -0.424 18.640 19.000 0.105 0.000 0.810 187 A HN 0.593 nan 8.150 nan 0.000 0.445 188 K N -1.085 119.228 120.400 -0.145 0.000 3.239 188 K HA -0.107 4.214 4.320 0.001 0.000 0.270 188 K C -0.417 175.974 176.600 -0.349 0.000 1.049 188 K CA 0.328 56.515 56.287 -0.166 0.000 0.769 188 K CB -2.049 30.425 32.500 -0.043 0.000 1.305 188 K HN 0.268 nan 8.250 nan 0.000 0.469 189 V N 1.316 120.858 119.914 -0.620 0.000 2.752 189 V HA -0.092 4.029 4.120 0.001 0.000 0.306 189 V C 1.316 177.184 176.094 -0.377 0.000 1.099 189 V CA 1.117 62.842 62.300 -0.959 0.000 1.240 189 V CB 0.658 32.130 31.823 -0.586 0.000 0.887 189 V HN 0.522 nan 8.190 nan 0.000 0.499 190 T N 2.934 117.399 114.554 -0.148 0.000 2.952 190 T HA 0.498 4.849 4.350 0.001 0.000 0.286 190 T C -0.364 174.370 174.700 0.057 0.000 1.024 190 T CA -0.998 61.124 62.100 0.035 0.000 1.029 190 T CB 1.212 70.172 68.868 0.154 0.000 1.094 190 T HN 0.627 nan 8.240 nan 0.000 0.515 191 Q N 0.318 120.142 119.800 0.041 0.000 2.330 191 Q HA 0.388 4.729 4.340 0.001 0.000 0.279 191 Q C 1.347 177.381 176.000 0.057 0.000 1.024 191 Q CA 0.674 56.501 55.803 0.039 0.000 0.900 191 Q CB 0.354 29.108 28.738 0.027 0.000 1.221 191 Q HN 1.270 nan 8.270 nan 0.000 0.396 192 G N 1.657 110.490 108.800 0.055 0.000 2.162 192 G HA2 -0.330 3.630 3.960 0.001 0.000 0.260 192 G HA3 -0.330 3.630 3.960 0.001 0.000 0.260 192 G C 0.302 175.253 174.900 0.084 0.000 0.976 192 G CA 0.388 45.522 45.100 0.057 0.000 0.655 192 G HN 0.765 nan 8.290 nan 0.000 0.533 193 S N -0.953 114.825 115.700 0.131 0.000 2.655 193 S HA 0.714 5.185 4.470 0.001 0.000 0.265 193 S C 0.066 174.771 174.600 0.174 0.000 1.240 193 S CA 0.453 58.772 58.200 0.198 0.000 0.986 193 S CB 1.945 65.397 63.200 0.420 0.000 0.985 193 S HN 0.533 nan 8.310 nan 0.000 0.562 194 T N 0.967 115.629 114.554 0.181 0.000 2.786 194 T HA 0.556 4.906 4.350 0.001 0.000 0.283 194 T C -0.699 174.119 174.700 0.195 0.000 0.992 194 T CA -0.419 61.763 62.100 0.137 0.000 0.954 194 T CB 0.110 69.023 68.868 0.076 0.000 0.934 194 T HN 0.777 nan 8.240 nan 0.000 0.440 195 C N 2.777 122.196 119.300 0.199 0.000 2.529 195 C HA 0.959 5.420 4.460 0.001 0.000 0.329 195 C C 0.324 175.426 174.990 0.186 0.000 1.194 195 C CA -0.823 58.359 59.018 0.274 0.000 1.779 195 C CB 0.918 28.870 27.740 0.354 0.000 2.322 195 C HN 0.983 nan 8.230 nan 0.000 0.500 196 A N 1.635 124.593 122.820 0.231 0.000 2.343 196 A HA 0.760 5.081 4.320 0.001 0.000 0.308 196 A C -1.157 176.597 177.584 0.283 0.000 1.092 196 A CA -0.269 51.852 52.037 0.139 0.000 0.751 196 A CB 0.847 19.916 19.000 0.115 0.000 1.203 196 A HN 0.728 nan 8.150 nan 0.000 0.452 197 V N 2.955 122.947 119.914 0.129 0.000 2.350 197 V HA 0.387 4.508 4.120 0.001 0.000 0.285 197 V C -1.139 175.012 176.094 0.095 0.000 1.014 197 V CA -0.246 62.184 62.300 0.217 0.000 0.831 197 V CB 0.638 32.521 31.823 0.099 0.000 1.000 197 V HN 0.704 nan 8.190 nan 0.000 0.433 198 F N 3.115 123.147 119.950 0.137 0.000 2.390 198 F HA 0.711 5.239 4.527 0.002 0.000 0.361 198 F C 0.935 176.800 175.800 0.108 0.000 1.124 198 F CA -0.121 57.943 58.000 0.107 0.000 1.149 198 F CB 1.376 40.433 39.000 0.095 0.000 1.160 198 F HN 0.749 nan 8.300 nan 0.000 0.501 199 G N 4.217 113.146 108.800 0.216 0.000 3.445 199 G HA2 -0.116 3.844 3.960 0.001 0.000 0.686 199 G HA3 -0.116 3.844 3.960 0.001 0.000 0.686 199 G C -0.663 174.316 174.900 0.132 0.000 1.113 199 G CA -1.068 44.136 45.100 0.172 0.000 0.974 199 G HN 0.678 nan 8.290 nan 0.000 0.492 200 L N 2.503 123.802 121.223 0.127 0.000 3.062 200 L HA 0.406 4.747 4.340 0.001 0.000 0.255 200 L C 1.748 178.676 176.870 0.097 0.000 1.274 200 L CA 0.050 54.959 54.840 0.115 0.000 1.047 200 L CB 0.094 42.248 42.059 0.158 0.000 1.402 200 L HN 0.731 nan 8.230 nan 0.000 0.550 201 G N -0.265 108.587 108.800 0.086 0.000 2.525 201 G HA2 0.242 4.203 3.960 0.001 0.000 0.276 201 G HA3 0.242 4.203 3.960 0.001 0.000 0.276 201 G C 1.102 176.042 174.900 0.067 0.000 1.388 201 G CA 0.237 45.379 45.100 0.070 0.000 1.050 201 G HN 0.262 nan 8.290 nan 0.000 0.520 202 G N -1.584 107.253 108.800 0.061 0.000 2.422 202 G HA2 -0.109 3.852 3.960 0.001 0.000 0.218 202 G HA3 -0.109 3.852 3.960 0.001 0.000 0.218 202 G C 1.614 176.554 174.900 0.067 0.000 1.146 202 G CA 1.326 46.467 45.100 0.068 0.000 0.769 202 G HN 0.403 nan 8.290 nan 0.000 0.547 203 V N 1.277 121.225 119.914 0.057 0.000 2.379 203 V HA 0.007 4.128 4.120 0.001 0.000 0.245 203 V C 3.093 179.193 176.094 0.011 0.000 1.044 203 V CA 1.853 64.175 62.300 0.038 0.000 1.036 203 V CB -0.851 31.005 31.823 0.055 0.000 0.664 203 V HN 0.418 nan 8.190 nan 0.000 0.453 204 G N -0.311 108.510 108.800 0.036 0.000 2.422 204 G HA2 -0.158 3.802 3.960 0.001 0.000 0.218 204 G HA3 -0.158 3.802 3.960 0.001 0.000 0.218 204 G C 1.586 176.486 174.900 0.000 0.000 1.140 204 G CA 0.625 45.739 45.100 0.024 0.000 0.775 204 G HN 0.447 nan 8.290 nan 0.000 0.545 205 L N 0.861 122.103 121.223 0.032 0.000 2.093 205 L HA -0.077 4.264 4.340 0.001 0.000 0.208 205 L C 3.155 180.045 176.870 0.034 0.000 1.085 205 L CA 1.199 56.066 54.840 0.045 0.000 0.755 205 L CB -0.326 41.778 42.059 0.076 0.000 0.904 205 L HN 0.180 nan 8.230 nan 0.000 0.435 206 S N -0.521 115.190 115.700 0.018 0.000 2.383 206 S HA -0.131 4.340 4.470 0.001 0.000 0.227 206 S C 2.062 176.571 174.600 -0.152 0.000 1.026 206 S CA 1.036 59.212 58.200 -0.040 0.000 0.981 206 S CB -0.258 62.861 63.200 -0.135 0.000 0.818 206 S HN 0.151 nan 8.310 nan 0.000 0.472 207 V N 2.527 122.321 119.914 -0.200 0.000 2.255 207 V HA -0.220 3.901 4.120 0.001 0.000 0.247 207 V C 2.122 178.022 176.094 -0.324 0.000 1.051 207 V CA 1.744 63.819 62.300 -0.375 0.000 1.018 207 V CB -0.768 30.783 31.823 -0.453 0.000 0.641 207 V HN 0.449 nan 8.190 nan 0.000 0.445 208 I N -0.667 119.800 120.570 -0.172 0.000 2.194 208 I HA -0.372 3.799 4.170 0.001 0.000 0.246 208 I C 2.519 178.604 176.117 -0.053 0.000 1.093 208 I CA 2.048 63.290 61.300 -0.097 0.000 1.355 208 I CB -0.348 37.636 38.000 -0.026 0.000 1.046 208 I HN 0.305 nan 8.210 nan 0.000 0.413 209 M N 0.006 119.613 119.600 0.012 0.000 2.159 209 M HA -0.106 4.375 4.480 0.001 0.000 0.263 209 M C 2.391 178.741 176.300 0.083 0.000 1.063 209 M CA 1.955 57.332 55.300 0.128 0.000 1.110 209 M CB -0.830 31.935 32.600 0.274 0.000 1.374 209 M HN 0.366 nan 8.290 nan 0.000 0.411 210 G N -0.456 108.258 108.800 -0.143 0.000 2.408 210 G HA2 -0.187 3.774 3.960 0.001 0.000 0.217 210 G HA3 -0.187 3.774 3.960 0.001 0.000 0.217 210 G C 1.495 176.184 174.900 -0.350 0.000 1.150 210 G CA 0.898 45.658 45.100 -0.566 0.000 0.776 210 G HN 0.463 nan 8.290 nan 0.000 0.542 211 C N -0.030 119.107 119.300 -0.271 0.000 2.425 211 C HA 0.066 4.527 4.460 0.001 0.000 0.277 211 C C 2.716 177.654 174.990 -0.087 0.000 1.280 211 C CA 1.145 60.058 59.018 -0.176 0.000 1.744 211 C CB -0.537 27.129 27.740 -0.122 0.000 1.989 211 C HN 0.555 nan 8.230 nan 0.000 0.491 212 K N 1.151 121.525 120.400 -0.044 0.000 2.025 212 K HA -0.093 4.228 4.320 0.001 0.000 0.207 212 K C 2.145 178.761 176.600 0.028 0.000 1.049 212 K CA 1.490 57.784 56.287 0.013 0.000 0.933 212 K CB -0.302 32.229 32.500 0.052 0.000 0.714 212 K HN 0.382 nan 8.250 nan 0.000 0.438 213 A N 0.936 123.781 122.820 0.042 0.000 1.972 213 A HA -0.087 4.234 4.320 0.001 0.000 0.219 213 A C 2.186 179.778 177.584 0.013 0.000 1.169 213 A CA 1.803 53.888 52.037 0.079 0.000 0.635 213 A CB -0.621 18.482 19.000 0.173 0.000 0.810 213 A HN 0.472 nan 8.150 nan 0.000 0.446 214 A N -1.883 120.900 122.820 -0.061 0.000 2.206 214 A HA 0.394 4.714 4.320 0.001 0.000 0.211 214 A C 1.756 179.321 177.584 -0.032 0.000 1.158 214 A CA 1.270 53.263 52.037 -0.073 0.000 0.761 214 A CB -0.849 18.058 19.000 -0.154 0.000 0.801 214 A HN 1.928 nan 8.150 nan 0.000 0.473 215 G N -1.815 106.979 108.800 -0.009 0.000 2.142 215 G HA2 0.145 4.106 3.960 0.001 0.000 0.225 215 G HA3 0.145 4.106 3.960 0.001 0.000 0.225 215 G C 0.339 175.251 174.900 0.020 0.000 1.015 215 G CA 0.176 45.283 45.100 0.012 0.000 0.716 215 G HN 1.570 nan 8.290 nan 0.000 0.508 216 A N -0.135 122.694 122.820 0.016 0.000 2.540 216 A HA 0.698 5.018 4.320 0.001 0.000 0.239 216 A C 1.715 179.327 177.584 0.047 0.000 1.061 216 A CA 1.137 53.202 52.037 0.045 0.000 0.758 216 A CB 0.409 19.438 19.000 0.048 0.000 0.991 216 A HN 1.851 nan 8.150 nan 0.000 0.502 217 A N 3.274 126.128 122.820 0.058 0.000 1.968 217 A HA 0.120 4.441 4.320 0.001 0.000 0.217 217 A C 1.227 178.835 177.584 0.039 0.000 1.169 217 A CA 1.001 53.064 52.037 0.044 0.000 0.638 217 A CB 0.036 19.063 19.000 0.045 0.000 0.812 217 A HN 0.791 nan 8.150 nan 0.000 0.446 218 R N -1.297 119.233 120.500 0.050 0.000 2.621 218 R HA 0.682 5.022 4.340 0.001 0.000 0.284 218 R C -1.805 174.525 176.300 0.049 0.000 0.998 218 R CA -0.366 55.757 56.100 0.038 0.000 0.895 218 R CB 1.871 32.191 30.300 0.034 0.000 1.195 218 R HN 0.215 nan 8.270 nan 0.000 0.450 219 I N 4.494 125.078 120.570 0.025 0.000 2.503 219 I HA 0.336 4.507 4.170 0.001 0.000 0.282 219 I C -0.509 175.598 176.117 -0.017 0.000 1.059 219 I CA -0.442 60.872 61.300 0.024 0.000 1.081 219 I CB 1.737 39.745 38.000 0.013 0.000 1.210 219 I HN 0.429 nan 8.210 nan 0.000 0.450 220 I N 5.336 125.889 120.570 -0.028 0.000 2.301 220 I HA 0.333 4.504 4.170 0.001 0.000 0.292 220 I C 1.020 177.049 176.117 -0.147 0.000 1.046 220 I CA -0.295 60.946 61.300 -0.098 0.000 1.282 220 I CB 1.087 39.025 38.000 -0.104 0.000 1.409 220 I HN 0.595 nan 8.210 nan 0.000 0.484 221 G N 5.903 114.587 108.800 -0.195 0.000 2.380 221 G HA2 0.479 4.440 3.960 0.001 0.000 0.262 221 G HA3 0.479 4.440 3.960 0.001 0.000 0.262 221 G C -0.513 174.216 174.900 -0.285 0.000 1.243 221 G CA -0.177 44.799 45.100 -0.206 0.000 0.865 221 G HN 0.385 nan 8.290 nan 0.000 0.513 222 V N 3.301 123.075 119.914 -0.234 0.000 2.531 222 V HA 0.599 4.720 4.120 0.001 0.000 0.301 222 V C -0.831 175.269 176.094 0.010 0.000 1.034 222 V CA -0.709 61.445 62.300 -0.243 0.000 0.865 222 V CB 1.901 33.298 31.823 -0.709 0.000 0.995 222 V HN 0.840 nan 8.190 nan 0.000 0.424 223 D N 2.643 123.166 120.400 0.205 0.000 2.745 223 D HA 0.275 4.915 4.640 0.001 0.000 0.221 223 D C 0.461 176.899 176.300 0.229 0.000 1.237 223 D CA -0.455 53.694 54.000 0.249 0.000 0.781 223 D CB 2.252 43.237 40.800 0.309 0.000 1.575 223 D HN 0.504 nan 8.370 nan 0.000 0.482 224 I N -0.237 120.413 120.570 0.134 0.000 3.291 224 I HA 0.184 4.355 4.170 0.001 0.000 0.279 224 I C 0.486 176.596 176.117 -0.012 0.000 1.294 224 I CA 0.147 61.498 61.300 0.084 0.000 1.428 224 I CB -0.089 37.958 38.000 0.078 0.000 1.070 224 I HN -0.036 nan 8.210 nan 0.000 0.478 225 N N 3.147 121.810 118.700 -0.061 0.000 2.546 225 N HA 0.101 4.842 4.740 0.001 0.000 0.238 225 N C 0.943 176.177 175.510 -0.459 0.000 0.984 225 N CA -0.350 52.600 53.050 -0.167 0.000 0.935 225 N CB 1.094 39.533 38.487 -0.080 0.000 1.122 225 N HN 0.403 nan 8.380 nan 0.000 0.510 226 K N 1.589 121.599 120.400 -0.650 0.000 2.360 226 K HA -0.067 4.254 4.320 0.001 0.000 0.201 226 K C -0.162 176.026 176.600 -0.687 0.000 1.046 226 K CA 1.003 56.565 56.287 -1.207 0.000 0.945 226 K CB 0.251 32.338 32.500 -0.689 0.000 0.750 226 K HN 0.194 nan 8.250 nan 0.000 0.464 227 D N 1.296 121.493 120.400 -0.339 0.000 2.378 227 D HA -0.058 4.582 4.640 0.001 0.000 0.222 227 D C 1.069 177.320 176.300 -0.081 0.000 0.980 227 D CA 0.715 54.625 54.000 -0.151 0.000 0.907 227 D CB 0.209 40.958 40.800 -0.085 0.000 0.899 227 D HN 0.212 nan 8.370 nan 0.000 0.527 228 K N -0.233 120.103 120.400 -0.108 0.000 2.379 228 K HA 0.073 4.394 4.320 0.001 0.000 0.194 228 K C 1.450 178.206 176.600 0.260 0.000 1.031 228 K CA -0.050 56.282 56.287 0.075 0.000 1.037 228 K CB -0.025 32.541 32.500 0.111 0.000 0.824 228 K HN 0.136 nan 8.250 nan 0.000 0.516 229 F N 1.672 121.636 119.950 0.023 0.000 2.146 229 F HA -0.034 4.493 4.527 0.001 0.000 0.298 229 F C 2.436 178.248 175.800 0.021 0.000 1.096 229 F CA 0.389 58.401 58.000 0.020 0.000 1.275 229 F CB -1.355 37.656 39.000 0.019 0.000 1.008 229 F HN -0.023 nan 8.300 nan 0.000 0.480 230 A N 0.188 123.138 122.820 0.216 0.000 1.883 230 A HA -0.292 4.028 4.320 0.001 0.000 0.217 230 A C 2.269 179.914 177.584 0.102 0.000 1.186 230 A CA 2.334 54.447 52.037 0.127 0.000 0.624 230 A CB -0.814 18.238 19.000 0.086 0.000 0.822 230 A HN 0.288 nan 8.150 nan 0.000 0.444 231 K N -0.093 120.368 120.400 0.102 0.000 2.097 231 K HA 0.040 4.361 4.320 0.001 0.000 0.205 231 K C 1.989 178.640 176.600 0.086 0.000 1.050 231 K CA 1.550 57.888 56.287 0.085 0.000 0.938 231 K CB -0.480 32.069 32.500 0.082 0.000 0.718 231 K HN 0.323 nan 8.250 nan 0.000 0.442 232 A N 1.083 123.964 122.820 0.103 0.000 1.908 232 A HA -0.203 4.118 4.320 0.001 0.000 0.218 232 A C 1.943 179.554 177.584 0.044 0.000 1.181 232 A CA 1.929 54.010 52.037 0.073 0.000 0.627 232 A CB -0.469 18.576 19.000 0.076 0.000 0.818 232 A HN 0.374 nan 8.150 nan 0.000 0.445 233 K N -0.666 119.761 120.400 0.045 0.000 2.025 233 K HA -0.175 4.146 4.320 0.001 0.000 0.207 233 K C 2.146 178.769 176.600 0.039 0.000 1.049 233 K CA 1.392 57.696 56.287 0.029 0.000 0.933 233 K CB -0.204 32.313 32.500 0.030 0.000 0.714 233 K HN 0.707 nan 8.250 nan 0.000 0.438 234 E N 1.156 121.387 120.200 0.051 0.000 2.147 234 E HA -0.202 4.149 4.350 0.001 0.000 0.199 234 E C 1.663 178.298 176.600 0.058 0.000 1.005 234 E CA 1.794 58.225 56.400 0.052 0.000 0.810 234 E CB 0.069 29.802 29.700 0.055 0.000 0.736 234 E HN 0.242 nan 8.360 nan 0.000 0.460 235 V N -3.757 116.196 119.914 0.064 0.000 3.623 235 V HA 0.399 4.520 4.120 0.001 0.000 0.271 235 V C 1.280 177.413 176.094 0.067 0.000 1.248 235 V CA 0.799 63.145 62.300 0.077 0.000 1.156 235 V CB 0.476 32.354 31.823 0.092 0.000 0.870 235 V HN 0.373 nan 8.190 nan 0.000 0.453 236 G N -0.646 108.181 108.800 0.046 0.000 2.935 236 G HA2 0.132 4.093 3.960 0.001 0.000 0.213 236 G HA3 0.132 4.093 3.960 0.001 0.000 0.213 236 G C 0.445 175.354 174.900 0.015 0.000 0.984 236 G CA -0.007 45.114 45.100 0.035 0.000 0.790 236 G HN 1.253 nan 8.290 nan 0.000 0.538 237 A N 1.285 124.107 122.820 0.004 0.000 2.546 237 A HA 0.518 4.839 4.320 0.001 0.000 0.243 237 A C 1.674 179.244 177.584 -0.024 0.000 1.063 237 A CA 1.681 53.705 52.037 -0.022 0.000 0.757 237 A CB 0.215 19.187 19.000 -0.047 0.000 0.991 237 A HN 1.249 nan 8.150 nan 0.000 0.503 238 T N -0.448 114.090 114.554 -0.027 0.000 3.054 238 T HA 0.198 4.549 4.350 0.001 0.000 0.259 238 T C 0.362 175.036 174.700 -0.042 0.000 1.092 238 T CA 0.899 62.986 62.100 -0.021 0.000 1.121 238 T CB -0.303 68.560 68.868 -0.009 0.000 0.912 238 T HN 0.862 nan 8.240 nan 0.000 0.489 239 E N -0.833 119.320 120.200 -0.078 0.000 2.407 239 E HA 0.537 4.888 4.350 0.001 0.000 0.279 239 E C -1.888 174.580 176.600 -0.220 0.000 1.012 239 E CA -1.152 55.179 56.400 -0.115 0.000 0.800 239 E CB 1.121 30.772 29.700 -0.081 0.000 1.276 239 E HN 0.102 nan 8.360 nan 0.000 0.452 240 C N 1.194 120.286 119.300 -0.348 0.000 2.547 240 C HA 0.698 5.158 4.460 0.001 0.000 0.313 240 C C -0.432 174.201 174.990 -0.596 0.000 1.191 240 C CA -0.488 58.105 59.018 -0.708 0.000 1.474 240 C CB 1.415 28.269 27.740 -1.478 0.000 2.081 240 C HN 0.550 nan 8.230 nan 0.000 0.476 241 V N 3.338 122.982 119.914 -0.450 0.000 2.604 241 V HA 0.531 4.652 4.120 0.001 0.000 0.305 241 V C -0.587 175.599 176.094 0.153 0.000 1.043 241 V CA -0.386 61.869 62.300 -0.074 0.000 0.888 241 V CB 2.073 33.851 31.823 -0.075 0.000 0.995 241 V HN 0.837 nan 8.190 nan 0.000 0.429 242 N N 5.384 124.328 118.700 0.408 0.000 2.476 242 N HA 0.420 5.161 4.740 0.001 0.000 0.257 242 N C -1.978 173.746 175.510 0.356 0.000 0.970 242 N CA -2.244 51.053 53.050 0.411 0.000 0.938 242 N CB 2.290 41.004 38.487 0.378 0.000 1.144 242 N HN 0.157 nan 8.380 nan 0.000 0.500 243 P HA -0.173 nan 4.420 nan 0.000 0.217 243 P C 0.750 178.206 177.300 0.260 0.000 1.148 243 P CA 1.429 64.656 63.100 0.212 0.000 0.834 243 P CB 0.350 32.137 31.700 0.144 0.000 0.783 244 Q N -1.240 118.676 119.800 0.194 0.000 2.364 244 Q HA -0.134 4.206 4.340 0.001 0.000 0.207 244 Q C 1.147 177.213 176.000 0.109 0.000 0.970 244 Q CA 0.840 56.722 55.803 0.131 0.000 0.888 244 Q CB -0.328 28.460 28.738 0.083 0.000 0.951 244 Q HN 0.285 nan 8.270 nan 0.000 0.469 245 D N -1.072 119.406 120.400 0.131 0.000 2.323 245 D HA -0.036 4.605 4.640 0.001 0.000 0.209 245 D C -0.472 175.712 176.300 -0.193 0.000 0.973 245 D CA 0.721 54.682 54.000 -0.065 0.000 0.874 245 D CB 0.258 40.944 40.800 -0.190 0.000 0.930 245 D HN 0.143 nan 8.370 nan 0.000 0.521 246 Y N 0.001 120.323 120.300 0.036 0.000 2.457 246 Y HA 0.328 4.879 4.550 0.002 0.000 0.333 246 Y C 1.451 177.366 175.900 0.025 0.000 1.119 246 Y CA -0.670 57.447 58.100 0.028 0.000 1.143 246 Y CB 1.453 39.930 38.460 0.029 0.000 1.230 246 Y HN -0.408 nan 8.280 nan 0.000 0.469 247 K N 1.231 121.731 120.400 0.166 0.000 2.374 247 K HA 0.100 4.421 4.320 0.001 0.000 0.196 247 K C -0.203 176.457 176.600 0.099 0.000 1.023 247 K CA 0.115 56.463 56.287 0.101 0.000 1.103 247 K CB 0.324 32.859 32.500 0.059 0.000 0.848 247 K HN 0.564 nan 8.250 nan 0.000 0.528 248 K N 0.507 120.985 120.400 0.131 0.000 2.395 248 K HA 0.472 4.793 4.320 0.001 0.000 0.245 248 K C -3.096 173.539 176.600 0.058 0.000 1.017 248 K CA -2.256 54.078 56.287 0.078 0.000 0.852 248 K CB 1.068 33.607 32.500 0.064 0.000 1.311 248 K HN -0.345 nan 8.250 nan 0.000 0.452 249 P HA 0.068 nan 4.420 nan 0.000 0.271 249 P C 0.473 177.757 177.300 -0.027 0.000 1.216 249 P CA -0.471 62.635 63.100 0.010 0.000 0.776 249 P CB 0.429 32.131 31.700 0.003 0.000 0.881 250 I N 2.393 122.952 120.570 -0.019 0.000 2.335 250 I HA -0.278 3.893 4.170 0.001 0.000 0.251 250 I C 2.084 178.186 176.117 -0.025 0.000 1.129 250 I CA 1.627 62.891 61.300 -0.060 0.000 1.402 250 I CB -0.601 37.426 38.000 0.044 0.000 1.069 250 I HN 0.388 nan 8.210 nan 0.000 0.424 251 Q N 0.155 119.966 119.800 0.018 0.000 2.170 251 Q HA -0.244 4.097 4.340 0.001 0.000 0.203 251 Q C 1.792 177.770 176.000 -0.037 0.000 0.976 251 Q CA 1.825 57.631 55.803 0.005 0.000 0.858 251 Q CB -0.788 27.932 28.738 -0.031 0.000 0.907 251 Q HN 0.629 nan 8.270 nan 0.000 0.433 252 E N 0.823 120.995 120.200 -0.047 0.000 2.028 252 E HA -0.116 4.235 4.350 0.001 0.000 0.190 252 E C 2.244 178.803 176.600 -0.067 0.000 0.984 252 E CA 1.357 57.727 56.400 -0.050 0.000 0.800 252 E CB -0.051 29.629 29.700 -0.034 0.000 0.758 252 E HN 0.298 nan 8.360 nan 0.000 0.448 253 V N 1.107 120.951 119.914 -0.117 0.000 2.407 253 V HA -0.211 3.910 4.120 0.001 0.000 0.248 253 V C 1.972 177.982 176.094 -0.139 0.000 1.055 253 V CA 1.463 63.663 62.300 -0.167 0.000 1.049 253 V CB -0.389 31.179 31.823 -0.425 0.000 0.662 253 V HN 0.220 nan 8.190 nan 0.000 0.455 254 L N 0.128 121.275 121.223 -0.127 0.000 2.093 254 L HA -0.107 4.233 4.340 0.001 0.000 0.208 254 L C 2.753 179.589 176.870 -0.057 0.000 1.085 254 L CA 2.088 56.877 54.840 -0.085 0.000 0.755 254 L CB -1.252 40.784 42.059 -0.038 0.000 0.904 254 L HN 0.346 nan 8.230 nan 0.000 0.435 255 T N -0.804 113.717 114.554 -0.054 0.000 2.708 255 T HA -0.232 4.119 4.350 0.001 0.000 0.266 255 T C 1.797 176.469 174.700 -0.046 0.000 1.037 255 T CA 1.508 63.575 62.100 -0.056 0.000 1.146 255 T CB -0.082 68.748 68.868 -0.063 0.000 0.865 255 T HN 0.335 nan 8.240 nan 0.000 0.435 256 E N 0.496 120.672 120.200 -0.041 0.000 2.085 256 E HA -0.118 4.233 4.350 0.001 0.000 0.194 256 E C 2.182 178.770 176.600 -0.021 0.000 0.994 256 E CA 1.121 57.505 56.400 -0.026 0.000 0.801 256 E CB -0.149 29.541 29.700 -0.017 0.000 0.743 256 E HN 0.459 nan 8.360 nan 0.000 0.453 257 M N 0.155 119.738 119.600 -0.028 0.000 2.159 257 M HA -0.120 4.361 4.480 0.001 0.000 0.263 257 M C 2.066 178.356 176.300 -0.016 0.000 1.063 257 M CA 1.600 56.888 55.300 -0.020 0.000 1.110 257 M CB 0.074 32.654 32.600 -0.033 0.000 1.374 257 M HN 0.100 nan 8.290 nan 0.000 0.411 258 S N -0.765 114.921 115.700 -0.023 0.000 2.634 258 S HA 0.124 4.595 4.470 0.001 0.000 0.221 258 S C 0.281 174.873 174.600 -0.015 0.000 0.952 258 S CA -0.430 57.761 58.200 -0.015 0.000 0.930 258 S CB -0.478 62.710 63.200 -0.020 0.000 0.780 258 S HN 0.494 nan 8.310 nan 0.000 0.498 259 N N 1.447 120.138 118.700 -0.016 0.000 2.714 259 N HA -0.173 4.568 4.740 0.001 0.000 0.253 259 N C 0.703 176.198 175.510 -0.026 0.000 1.024 259 N CA 0.960 54.001 53.050 -0.015 0.000 0.726 259 N CB -1.620 36.865 38.487 -0.002 0.000 0.908 259 N HN 1.012 nan 8.380 nan 0.000 0.542 260 G N -1.853 106.921 108.800 -0.044 0.000 2.205 260 G HA2 0.297 4.258 3.960 0.001 0.000 0.180 260 G HA3 0.297 4.258 3.960 0.001 0.000 0.180 260 G C 0.305 175.140 174.900 -0.107 0.000 1.004 260 G CA 0.374 45.432 45.100 -0.069 0.000 0.670 260 G HN 1.480 nan 8.290 nan 0.000 0.496 261 G N -1.810 106.933 108.800 -0.094 0.000 2.465 261 G HA2 0.497 4.458 3.960 0.001 0.000 0.681 261 G HA3 0.497 4.458 3.960 0.001 0.000 0.681 261 G C -0.028 174.809 174.900 -0.105 0.000 1.340 261 G CA 0.169 45.198 45.100 -0.118 0.000 0.884 261 G HN 1.897 nan 8.290 nan 0.000 0.650 262 V N -0.825 119.037 119.914 -0.087 0.000 3.036 262 V HA 0.620 4.741 4.120 0.001 0.000 0.308 262 V C 1.147 177.169 176.094 -0.120 0.000 1.070 262 V CA 0.591 62.859 62.300 -0.054 0.000 1.056 262 V CB 1.601 33.425 31.823 0.001 0.000 1.084 262 V HN 0.715 nan 8.190 nan 0.000 0.471 263 D N 0.904 121.242 120.400 -0.102 0.000 2.117 263 D HA 0.047 4.688 4.640 0.001 0.000 0.198 263 D C -0.072 175.787 176.300 -0.735 0.000 0.982 263 D CA 2.026 55.814 54.000 -0.354 0.000 0.828 263 D CB 0.049 40.672 40.800 -0.294 0.000 0.967 263 D HN 0.573 nan 8.370 nan 0.000 0.464 264 F N -0.199 119.734 119.950 -0.029 0.000 2.573 264 F HA 0.233 4.761 4.527 0.002 0.000 0.316 264 F C 0.019 175.661 175.800 -0.265 0.000 1.148 264 F CA -1.028 56.868 58.000 -0.173 0.000 0.940 264 F CB 2.040 40.987 39.000 -0.089 0.000 1.214 264 F HN -0.322 nan 8.300 nan 0.000 0.448 265 S N 1.858 117.380 115.700 -0.297 0.000 2.566 265 S HA 0.899 5.370 4.470 0.001 0.000 0.298 265 S C -1.368 172.903 174.600 -0.549 0.000 1.083 265 S CA -0.645 57.431 58.200 -0.206 0.000 0.978 265 S CB 1.739 64.939 63.200 -0.000 0.000 1.073 265 S HN 0.339 nan 8.310 nan 0.000 0.491 266 F N 0.382 120.466 119.950 0.223 0.000 2.561 266 F HA 0.524 5.052 4.527 0.002 0.000 0.313 266 F C 0.095 176.023 175.800 0.212 0.000 1.126 266 F CA -0.619 57.484 58.000 0.172 0.000 0.918 266 F CB 2.012 41.083 39.000 0.117 0.000 1.199 266 F HN 0.586 nan 8.300 nan 0.000 0.444 267 E N 2.441 122.810 120.200 0.282 0.000 2.129 267 E HA 0.387 4.738 4.350 0.001 0.000 0.268 267 E C -0.052 176.667 176.600 0.198 0.000 0.900 267 E CA -0.111 56.411 56.400 0.204 0.000 0.755 267 E CB 2.017 31.764 29.700 0.079 0.000 1.117 267 E HN 0.618 nan 8.360 nan 0.000 0.410 268 V N 2.754 122.788 119.914 0.199 0.000 3.477 268 V HA 0.201 4.322 4.120 0.001 0.000 0.297 268 V C 1.524 177.696 176.094 0.129 0.000 1.433 268 V CA 0.111 62.501 62.300 0.149 0.000 1.052 268 V CB -0.279 31.622 31.823 0.130 0.000 0.895 268 V HN 0.573 nan 8.190 nan 0.000 0.438 269 I N 2.189 122.842 120.570 0.139 0.000 2.233 269 I HA 0.277 4.448 4.170 0.001 0.000 0.243 269 I C 2.041 178.221 176.117 0.106 0.000 1.093 269 I CA 1.598 62.972 61.300 0.124 0.000 1.380 269 I CB -0.648 37.433 38.000 0.135 0.000 1.067 269 I HN 0.551 nan 8.210 nan 0.000 0.413 270 G N 1.696 110.550 108.800 0.090 0.000 2.140 270 G HA2 -0.209 3.751 3.960 0.001 0.000 0.211 270 G HA3 -0.209 3.751 3.960 0.001 0.000 0.211 270 G C 0.079 175.011 174.900 0.054 0.000 1.013 270 G CA -0.510 44.631 45.100 0.069 0.000 0.705 270 G HN 0.302 nan 8.290 nan 0.000 0.508 271 R N -0.343 120.191 120.500 0.056 0.000 2.407 271 R HA 0.596 4.937 4.340 0.001 0.000 0.303 271 R C 1.732 178.053 176.300 0.035 0.000 0.981 271 R CA -0.807 55.321 56.100 0.045 0.000 0.905 271 R CB 0.963 31.296 30.300 0.055 0.000 1.099 271 R HN 0.142 nan 8.270 nan 0.000 0.459 272 L N 1.802 123.042 121.223 0.029 0.000 2.042 272 L HA -0.269 4.072 4.340 0.001 0.000 0.210 272 L C 1.787 178.677 176.870 0.033 0.000 1.076 272 L CA 1.497 56.357 54.840 0.033 0.000 0.749 272 L CB -0.473 41.600 42.059 0.024 0.000 0.893 272 L HN 0.738 nan 8.230 nan 0.000 0.432 273 D N -0.832 119.580 120.400 0.021 0.000 2.117 273 D HA -0.177 4.464 4.640 0.001 0.000 0.198 273 D C 1.978 178.261 176.300 -0.028 0.000 0.982 273 D CA 1.884 55.888 54.000 0.005 0.000 0.828 273 D CB -0.947 39.861 40.800 0.013 0.000 0.967 273 D HN 0.366 nan 8.370 nan 0.000 0.464 274 T N -1.525 113.012 114.554 -0.029 0.000 2.867 274 T HA -0.048 4.303 4.350 0.001 0.000 0.268 274 T C 2.233 176.806 174.700 -0.212 0.000 1.057 274 T CA 0.820 62.846 62.100 -0.124 0.000 1.136 274 T CB -0.501 68.351 68.868 -0.027 0.000 0.874 274 T HN 0.053 nan 8.240 nan 0.000 0.466 275 M N 0.798 120.368 119.600 -0.051 0.000 2.108 275 M HA -0.066 4.415 4.480 0.001 0.000 0.261 275 M C 2.417 178.729 176.300 0.019 0.000 1.066 275 M CA 1.411 56.744 55.300 0.054 0.000 1.107 275 M CB -0.506 32.214 32.600 0.199 0.000 1.356 275 M HN 0.168 nan 8.290 nan 0.000 0.406 276 V N -0.744 119.156 119.914 -0.024 0.000 2.488 276 V HA -0.183 3.938 4.120 0.001 0.000 0.246 276 V C 2.253 178.196 176.094 -0.252 0.000 1.046 276 V CA 1.923 64.136 62.300 -0.144 0.000 1.053 276 V CB -0.821 30.963 31.823 -0.066 0.000 0.679 276 V HN 0.471 nan 8.190 nan 0.000 0.458 277 T N 0.607 115.019 114.554 -0.236 0.000 2.746 277 T HA -0.178 4.173 4.350 0.001 0.000 0.267 277 T C 2.083 176.532 174.700 -0.418 0.000 1.039 277 T CA 1.725 63.664 62.100 -0.268 0.000 1.142 277 T CB -0.385 68.361 68.868 -0.204 0.000 0.866 277 T HN 0.561 nan 8.240 nan 0.000 0.444 278 A N 1.230 123.646 122.820 -0.673 0.000 1.908 278 A HA -0.044 4.277 4.320 0.001 0.000 0.218 278 A C 2.227 179.588 177.584 -0.372 0.000 1.181 278 A CA 1.418 53.037 52.037 -0.696 0.000 0.627 278 A CB -0.785 17.831 19.000 -0.640 0.000 0.818 278 A HN 0.432 nan 8.150 nan 0.000 0.445 279 L N 0.923 121.881 121.223 -0.441 0.000 2.017 279 L HA -0.140 4.201 4.340 0.001 0.000 0.208 279 L C 2.691 179.315 176.870 -0.409 0.000 1.073 279 L CA 2.973 57.468 54.840 -0.575 0.000 0.745 279 L CB -0.807 40.610 42.059 -1.069 0.000 0.894 279 L HN 0.485 nan 8.230 nan 0.000 0.432 280 S N -1.122 114.374 115.700 -0.341 0.000 2.423 280 S HA -0.215 4.256 4.470 0.001 0.000 0.231 280 S C 2.201 176.694 174.600 -0.178 0.000 1.014 280 S CA 0.796 58.849 58.200 -0.245 0.000 0.965 280 S CB -1.913 61.169 63.200 -0.197 0.000 0.785 280 S HN 0.723 nan 8.310 nan 0.000 0.495 281 C N 2.008 121.226 119.300 -0.136 0.000 2.522 281 C HA 0.407 4.867 4.460 0.001 0.000 0.271 281 C C 1.616 176.549 174.990 -0.096 0.000 1.425 281 C CA -1.153 57.826 59.018 -0.066 0.000 1.751 281 C CB -2.560 25.218 27.740 0.064 0.000 1.775 281 C HN 0.739 nan 8.230 nan 0.000 0.557 282 C N 0.641 119.848 119.300 -0.156 0.000 2.459 282 C HA 0.425 4.886 4.460 0.001 0.000 0.374 282 C C 0.593 175.434 174.990 -0.248 0.000 1.241 282 C CA -0.655 58.247 59.018 -0.193 0.000 2.352 282 C CB 0.144 27.753 27.740 -0.219 0.000 2.490 282 C HN 0.664 nan 8.230 nan 0.000 0.583 283 Q N 1.868 121.476 119.800 -0.320 0.000 2.283 283 Q HA -0.027 4.314 4.340 0.001 0.000 0.301 283 Q C 1.476 177.217 176.000 -0.431 0.000 1.063 283 Q CA 1.060 56.598 55.803 -0.441 0.000 0.952 283 Q CB 0.691 28.964 28.738 -0.775 0.000 1.166 283 Q HN 1.028 nan 8.270 nan 0.000 0.381 284 E N 3.079 123.079 120.200 -0.334 0.000 2.160 284 E HA -0.202 4.148 4.350 0.001 0.000 0.195 284 E C 1.047 177.502 176.600 -0.241 0.000 0.991 284 E CA 1.373 57.623 56.400 -0.250 0.000 0.810 284 E CB -0.045 29.545 29.700 -0.182 0.000 0.742 284 E HN 0.585 nan 8.360 nan 0.000 0.466 285 A N 0.358 122.988 122.820 -0.318 0.000 2.044 285 A HA 0.056 4.377 4.320 0.001 0.000 0.213 285 A C 1.071 178.607 177.584 -0.080 0.000 1.169 285 A CA 0.697 52.630 52.037 -0.173 0.000 0.724 285 A CB -0.166 18.792 19.000 -0.070 0.000 0.840 285 A HN 0.566 nan 8.150 nan 0.000 0.463 286 Y N -3.504 116.730 120.300 -0.110 0.000 2.890 286 Y HA 0.502 5.052 4.550 -0.000 0.000 0.266 286 Y C 0.549 176.332 175.900 -0.195 0.000 1.090 286 Y CA -1.217 56.808 58.100 -0.125 0.000 1.258 286 Y CB -0.803 37.589 38.460 -0.112 0.000 1.346 286 Y HN 0.086 nan 8.280 nan 0.000 0.578 287 G N 1.288 109.921 108.800 -0.279 0.000 2.527 287 G HA2 0.479 4.440 3.960 0.001 0.000 0.248 287 G HA3 0.479 4.440 3.960 0.001 0.000 0.248 287 G C -1.029 173.748 174.900 -0.204 0.000 1.231 287 G CA -0.159 44.770 45.100 -0.285 0.000 0.838 287 G HN 0.134 nan 8.290 nan 0.000 0.570 288 V N 0.420 120.201 119.914 -0.223 0.000 2.638 288 V HA 0.606 4.727 4.120 0.001 0.000 0.306 288 V C -0.085 175.937 176.094 -0.121 0.000 1.052 288 V CA -0.790 61.453 62.300 -0.095 0.000 0.885 288 V CB 1.851 33.698 31.823 0.040 0.000 0.999 288 V HN 0.849 nan 8.190 nan 0.000 0.424 289 S N 3.467 119.119 115.700 -0.079 0.000 2.500 289 S HA 0.835 5.306 4.470 0.001 0.000 0.301 289 S C -1.142 173.491 174.600 0.055 0.000 1.092 289 S CA -0.430 57.710 58.200 -0.100 0.000 1.030 289 S CB 1.662 64.763 63.200 -0.165 0.000 1.031 289 S HN 0.509 nan 8.310 nan 0.000 0.483 290 V N 6.385 126.266 119.914 -0.055 0.000 2.531 290 V HA 0.510 4.631 4.120 0.001 0.000 0.301 290 V C -0.014 176.167 176.094 0.145 0.000 1.034 290 V CA -0.786 61.557 62.300 0.071 0.000 0.865 290 V CB 1.393 33.276 31.823 0.100 0.000 0.995 290 V HN 0.882 nan 8.190 nan 0.000 0.424 291 I N 2.432 123.063 120.570 0.102 0.000 2.577 291 I HA 0.751 4.922 4.170 0.001 0.000 0.305 291 I C 0.655 176.808 176.117 0.060 0.000 0.986 291 I CA -0.088 61.262 61.300 0.084 0.000 1.189 291 I CB 2.282 40.289 38.000 0.012 0.000 1.355 291 I HN 0.614 nan 8.210 nan 0.000 0.476 292 S N 1.707 117.452 115.700 0.075 0.000 2.744 292 S HA 0.392 4.862 4.470 0.001 0.000 0.265 292 S C 0.492 175.131 174.600 0.064 0.000 1.065 292 S CA 0.058 58.296 58.200 0.064 0.000 1.191 292 S CB 0.385 63.633 63.200 0.080 0.000 1.150 292 S HN 1.059 nan 8.310 nan 0.000 0.646 293 G N 1.182 110.020 108.800 0.063 0.000 2.644 293 G HA2 0.597 4.557 3.960 0.001 0.000 0.300 293 G HA3 0.597 4.557 3.960 0.001 0.000 0.300 293 G C -1.394 173.531 174.900 0.043 0.000 1.395 293 G CA -0.587 44.556 45.100 0.072 0.000 0.964 293 G HN 0.330 nan 8.290 nan 0.000 0.511 294 V N 4.026 123.956 119.914 0.026 0.000 2.419 294 V HA 0.315 4.436 4.120 0.001 0.000 0.287 294 V C -2.170 173.919 176.094 -0.008 0.000 1.017 294 V CA -1.533 60.763 62.300 -0.007 0.000 0.844 294 V CB 1.802 33.594 31.823 -0.052 0.000 1.011 294 V HN 0.616 nan 8.190 nan 0.000 0.429 295 P HA 0.146 nan 4.420 nan 0.000 0.264 295 P C -2.005 175.221 177.300 -0.123 0.000 1.183 295 P CA -0.856 62.162 63.100 -0.137 0.000 0.763 295 P CB 0.294 31.893 31.700 -0.167 0.000 0.807 296 P HA -0.174 nan 4.420 nan 0.000 0.218 296 P C 0.649 177.904 177.300 -0.075 0.000 1.146 296 P CA 1.483 64.539 63.100 -0.073 0.000 0.813 296 P CB -0.108 31.562 31.700 -0.049 0.000 0.778 297 D N -1.603 118.731 120.400 -0.109 0.000 2.370 297 D HA 0.024 4.665 4.640 0.001 0.000 0.230 297 D C 0.111 176.374 176.300 -0.062 0.000 1.143 297 D CA -0.222 53.733 54.000 -0.076 0.000 0.834 297 D CB -0.636 40.115 40.800 -0.080 0.000 0.944 297 D HN -0.068 nan 8.370 nan 0.000 0.504 298 S N 0.004 115.667 115.700 -0.062 0.000 2.549 298 S HA 0.036 4.507 4.470 0.001 0.000 0.286 298 S C 0.361 174.940 174.600 -0.035 0.000 1.314 298 S CA -0.282 57.890 58.200 -0.047 0.000 1.062 298 S CB 0.873 64.044 63.200 -0.048 0.000 0.865 298 S HN 0.236 nan 8.310 nan 0.000 0.498 299 Q N 2.251 122.036 119.800 -0.026 0.000 2.370 299 Q HA 0.387 4.728 4.340 0.001 0.000 0.186 299 Q C -0.352 175.637 176.000 -0.019 0.000 1.093 299 Q CA -0.036 55.755 55.803 -0.019 0.000 1.142 299 Q CB 0.386 29.118 28.738 -0.011 0.000 1.175 299 Q HN 0.753 nan 8.270 nan 0.000 0.625 300 N N 0.000 118.692 118.700 -0.013 0.000 2.499 300 N HA 0.288 5.029 4.740 0.001 0.000 0.281 300 N C -1.107 174.404 175.510 0.002 0.000 1.098 300 N CA -0.333 52.711 53.050 -0.011 0.000 0.979 300 N CB 0.429 38.912 38.487 -0.007 0.000 1.121 300 N HN 0.381 nan 8.380 nan 0.000 0.466 301 L N -0.663 120.566 121.223 0.010 0.000 2.454 301 L HA 0.692 5.033 4.340 0.001 0.000 0.256 301 L C 0.487 177.385 176.870 0.048 0.000 1.136 301 L CA -0.489 54.374 54.840 0.038 0.000 0.804 301 L CB 0.594 42.698 42.059 0.074 0.000 1.181 301 L HN 0.295 nan 8.230 nan 0.000 0.469 302 S N 1.151 116.882 115.700 0.051 0.000 2.519 302 S HA 0.879 5.350 4.470 0.001 0.000 0.309 302 S C -0.632 173.996 174.600 0.047 0.000 1.100 302 S CA -0.646 57.578 58.200 0.040 0.000 1.059 302 S CB 0.473 63.685 63.200 0.021 0.000 1.008 302 S HN 0.822 nan 8.310 nan 0.000 0.478 303 M N 3.360 122.990 119.600 0.051 0.000 2.578 303 M HA 0.591 5.072 4.480 0.001 0.000 0.276 303 M C -1.214 175.090 176.300 0.006 0.000 1.245 303 M CA -0.747 54.567 55.300 0.023 0.000 0.871 303 M CB 1.179 33.808 32.600 0.049 0.000 1.722 303 M HN 0.369 nan 8.290 nan 0.000 0.473 304 N N 2.156 120.838 118.700 -0.031 0.000 2.419 304 N HA 0.430 5.171 4.740 0.001 0.000 0.264 304 N C -2.050 173.438 175.510 -0.038 0.000 1.031 304 N CA -1.688 51.343 53.050 -0.031 0.000 0.951 304 N CB 1.625 40.085 38.487 -0.044 0.000 1.101 304 N HN 0.575 nan 8.380 nan 0.000 0.488 305 P HA -0.089 nan 4.420 nan 0.000 0.231 305 P C 1.267 178.546 177.300 -0.034 0.000 1.158 305 P CA 0.701 63.795 63.100 -0.009 0.000 0.763 305 P CB 0.296 32.001 31.700 0.008 0.000 0.805 306 M N -0.979 118.595 119.600 -0.044 0.000 2.549 306 M HA -0.041 4.440 4.480 0.001 0.000 0.260 306 M C 1.822 178.074 176.300 -0.079 0.000 1.076 306 M CA 1.124 56.393 55.300 -0.052 0.000 1.090 306 M CB -0.539 32.032 32.600 -0.048 0.000 1.418 306 M HN -0.121 nan 8.290 nan 0.000 0.486 307 L N -1.012 120.148 121.223 -0.105 0.000 2.156 307 L HA -0.154 4.186 4.340 0.001 0.000 0.208 307 L C 1.871 178.652 176.870 -0.148 0.000 1.095 307 L CA 0.853 55.600 54.840 -0.156 0.000 0.770 307 L CB -0.337 41.581 42.059 -0.235 0.000 0.914 307 L HN 0.350 nan 8.230 nan 0.000 0.439 308 L N -1.287 119.874 121.223 -0.102 0.000 2.202 308 L HA -0.124 4.217 4.340 0.001 0.000 0.205 308 L C 2.358 179.199 176.870 -0.049 0.000 1.083 308 L CA 0.199 54.999 54.840 -0.066 0.000 0.790 308 L CB -0.317 41.737 42.059 -0.008 0.000 0.942 308 L HN 0.161 nan 8.230 nan 0.000 0.452 309 L N 0.278 121.476 121.223 -0.043 0.000 2.129 309 L HA -0.224 4.117 4.340 0.001 0.000 0.212 309 L C 2.660 179.507 176.870 -0.039 0.000 1.087 309 L CA 2.063 56.884 54.840 -0.032 0.000 0.757 309 L CB -0.466 41.576 42.059 -0.029 0.000 0.896 309 L HN 0.365 nan 8.230 nan 0.000 0.434 310 S N -1.695 113.970 115.700 -0.058 0.000 2.481 310 S HA 0.213 4.684 4.470 0.001 0.000 0.231 310 S C 1.545 176.109 174.600 -0.060 0.000 0.996 310 S CA 0.524 58.686 58.200 -0.063 0.000 0.942 310 S CB -0.041 63.106 63.200 -0.087 0.000 0.768 310 S HN 0.687 nan 8.310 nan 0.000 0.520 311 G N 0.519 109.284 108.800 -0.058 0.000 2.559 311 G HA2 -0.089 3.872 3.960 0.001 0.000 0.202 311 G HA3 -0.089 3.872 3.960 0.001 0.000 0.202 311 G C 0.063 174.931 174.900 -0.055 0.000 0.992 311 G CA -0.721 44.354 45.100 -0.041 0.000 0.764 311 G HN 0.427 nan 8.290 nan 0.000 0.525 312 R N 0.488 120.933 120.500 -0.091 0.000 2.738 312 R HA 0.541 4.882 4.340 0.001 0.000 0.268 312 R C -0.448 175.822 176.300 -0.050 0.000 1.062 312 R CA 0.610 56.644 56.100 -0.110 0.000 1.158 312 R CB 0.471 30.666 30.300 -0.176 0.000 1.046 312 R HN 0.110 nan 8.270 nan 0.000 0.493 313 T N 1.203 115.739 114.554 -0.031 0.000 2.848 313 T HA 0.247 4.598 4.350 0.001 0.000 0.285 313 T C -1.531 173.237 174.700 0.113 0.000 0.995 313 T CA -0.509 61.618 62.100 0.045 0.000 0.970 313 T CB 0.953 69.848 68.868 0.045 0.000 0.976 313 T HN 0.379 nan 8.240 nan 0.000 0.441 314 W N 4.441 125.711 121.300 -0.050 0.000 2.600 314 W HA 0.634 5.293 4.660 -0.001 0.000 0.325 314 W C -0.802 175.690 176.519 -0.044 0.000 1.034 314 W CA -1.587 55.723 57.345 -0.058 0.000 1.226 314 W CB 0.947 30.371 29.460 -0.060 0.000 1.379 314 W HN 0.604 nan 8.180 nan 0.000 0.466 315 K N 2.981 123.470 120.400 0.149 0.000 2.509 315 K HA 0.902 5.223 4.320 0.001 0.000 0.266 315 K C -0.149 176.405 176.600 -0.078 0.000 0.987 315 K CA -1.086 55.190 56.287 -0.018 0.000 0.868 315 K CB 2.174 34.684 32.500 0.017 0.000 1.421 315 K HN 0.459 nan 8.250 nan 0.000 0.444 316 G N -0.382 108.349 108.800 -0.115 0.000 2.733 316 G HA2 0.874 4.835 3.960 0.001 0.000 0.288 316 G HA3 0.874 4.835 3.960 0.001 0.000 0.288 316 G C -1.639 173.210 174.900 -0.084 0.000 1.373 316 G CA -0.713 44.325 45.100 -0.105 0.000 0.895 316 G HN 0.676 nan 8.290 nan 0.000 0.479 317 A N -0.918 121.858 122.820 -0.073 0.000 2.601 317 A HA 0.729 5.050 4.320 0.001 0.000 0.291 317 A C -1.583 175.973 177.584 -0.046 0.000 1.075 317 A CA -0.576 51.418 52.037 -0.071 0.000 0.671 317 A CB 0.792 19.760 19.000 -0.053 0.000 1.277 317 A HN 0.742 nan 8.150 nan 0.000 0.417 318 I N 0.229 120.781 120.570 -0.029 0.000 2.460 318 I HA 0.526 4.697 4.170 0.001 0.000 0.298 318 I C 0.189 176.458 176.117 0.253 0.000 0.989 318 I CA -0.336 61.021 61.300 0.095 0.000 1.173 318 I CB 1.292 39.294 38.000 0.003 0.000 1.338 318 I HN 0.773 nan 8.210 nan 0.000 0.456 319 F N 5.761 125.814 119.950 0.172 0.000 3.091 319 F HA -0.255 4.273 4.527 0.001 0.000 0.288 319 F C 1.231 177.109 175.800 0.129 0.000 0.907 319 F CA 0.910 59.009 58.000 0.165 0.000 1.028 319 F CB -1.256 37.738 39.000 -0.010 0.000 1.022 319 F HN 0.845 nan 8.300 nan 0.000 0.665 320 G N -0.172 108.593 108.800 -0.057 0.000 2.180 320 G HA2 0.056 4.017 3.960 0.001 0.000 0.263 320 G HA3 0.056 4.017 3.960 0.001 0.000 0.263 320 G C 2.275 176.895 174.900 -0.467 0.000 0.989 320 G CA 1.229 46.149 45.100 -0.301 0.000 0.692 320 G HN 2.323 nan 8.290 nan 0.000 0.526 321 G N -2.036 106.647 108.800 -0.194 0.000 2.184 321 G HA2 -0.216 3.744 3.960 0.001 0.000 0.264 321 G HA3 -0.216 3.744 3.960 0.001 0.000 0.264 321 G C 0.373 175.223 174.900 -0.083 0.000 0.975 321 G CA 0.510 45.524 45.100 -0.144 0.000 0.642 321 G HN 1.166 nan 8.290 nan 0.000 0.536 322 F N 1.743 121.692 119.950 -0.002 0.000 2.495 322 F HA 0.396 4.925 4.527 0.002 0.000 0.365 322 F C 1.351 177.237 175.800 0.144 0.000 1.090 322 F CA -0.298 57.716 58.000 0.023 0.000 1.235 322 F CB 0.735 39.663 39.000 -0.120 0.000 1.119 322 F HN -0.063 nan 8.300 nan 0.000 0.562 323 K N 2.489 123.085 120.400 0.326 0.000 2.363 323 K HA 0.055 4.376 4.320 0.001 0.000 0.289 323 K C 1.218 177.965 176.600 0.246 0.000 1.063 323 K CA 0.191 56.616 56.287 0.229 0.000 0.967 323 K CB 0.549 33.144 32.500 0.157 0.000 0.987 323 K HN 0.792 nan 8.250 nan 0.000 0.473 324 S N 3.469 119.313 115.700 0.240 0.000 2.353 324 S HA -0.255 4.216 4.470 0.001 0.000 0.222 324 S C 1.905 176.586 174.600 0.135 0.000 1.035 324 S CA 1.105 59.458 58.200 0.255 0.000 1.025 324 S CB -0.078 63.094 63.200 -0.047 0.000 0.902 324 S HN 0.631 nan 8.310 nan 0.000 0.440 325 K N 1.006 121.442 120.400 0.060 0.000 2.057 325 K HA -0.102 4.218 4.320 0.001 0.000 0.206 325 K C 1.568 178.195 176.600 0.045 0.000 1.050 325 K CA 1.604 57.913 56.287 0.036 0.000 0.935 325 K CB -0.228 32.280 32.500 0.014 0.000 0.715 325 K HN 0.333 nan 8.250 nan 0.000 0.439 326 D N -0.305 120.129 120.400 0.058 0.000 2.144 326 D HA -0.092 4.549 4.640 0.001 0.000 0.200 326 D C 1.828 178.150 176.300 0.037 0.000 0.978 326 D CA 1.164 55.195 54.000 0.052 0.000 0.833 326 D CB -0.069 40.772 40.800 0.069 0.000 0.961 326 D HN 0.092 nan 8.370 nan 0.000 0.470 327 S N -0.234 115.488 115.700 0.037 0.000 2.388 327 S HA -0.021 4.450 4.470 0.001 0.000 0.223 327 S C 2.341 176.862 174.600 -0.132 0.000 1.034 327 S CA 0.079 58.225 58.200 -0.091 0.000 0.963 327 S CB -0.061 63.015 63.200 -0.207 0.000 0.827 327 S HN 0.040 nan 8.310 nan 0.000 0.481 328 V N 3.247 123.150 119.914 -0.017 0.000 2.252 328 V HA -0.161 3.960 4.120 0.001 0.000 0.249 328 V C -0.747 175.349 176.094 0.003 0.000 1.056 328 V CA 2.025 64.336 62.300 0.019 0.000 1.022 328 V CB -1.739 30.147 31.823 0.106 0.000 0.641 328 V HN 0.331 nan 8.190 nan 0.000 0.445 329 P HA -0.145 nan 4.420 nan 0.000 0.216 329 P C 1.615 178.921 177.300 0.010 0.000 1.150 329 P CA 1.439 64.546 63.100 0.012 0.000 0.837 329 P CB -0.058 31.650 31.700 0.013 0.000 0.786 330 K N -0.737 119.663 120.400 -0.001 0.000 2.097 330 K HA -0.043 4.278 4.320 0.001 0.000 0.205 330 K C 2.027 178.646 176.600 0.032 0.000 1.050 330 K CA 1.037 57.331 56.287 0.012 0.000 0.938 330 K CB -0.608 31.897 32.500 0.009 0.000 0.718 330 K HN 0.165 nan 8.250 nan 0.000 0.442 331 L N 0.392 121.619 121.223 0.006 0.000 2.056 331 L HA -0.164 4.176 4.340 0.001 0.000 0.207 331 L C 2.293 179.254 176.870 0.151 0.000 1.078 331 L CA 0.769 55.671 54.840 0.104 0.000 0.749 331 L CB -0.394 41.671 42.059 0.009 0.000 0.901 331 L HN -0.044 nan 8.230 nan 0.000 0.433 332 V N 0.026 119.983 119.914 0.070 0.000 2.427 332 V HA -0.263 3.858 4.120 0.001 0.000 0.248 332 V C 2.746 178.878 176.094 0.063 0.000 1.051 332 V CA 1.704 64.044 62.300 0.067 0.000 1.048 332 V CB -0.752 31.091 31.823 0.034 0.000 0.666 332 V HN 0.469 nan 8.190 nan 0.000 0.456 333 A N -0.095 122.742 122.820 0.028 0.000 1.908 333 A HA -0.265 4.056 4.320 0.001 0.000 0.218 333 A C 1.988 179.539 177.584 -0.055 0.000 1.181 333 A CA 2.114 54.147 52.037 -0.006 0.000 0.627 333 A CB -0.628 18.373 19.000 0.001 0.000 0.818 333 A HN 0.530 nan 8.150 nan 0.000 0.445 334 D N -1.176 119.197 120.400 -0.045 0.000 2.117 334 D HA -0.126 4.514 4.640 0.001 0.000 0.197 334 D C 1.590 177.623 176.300 -0.444 0.000 0.987 334 D CA 1.248 55.166 54.000 -0.138 0.000 0.829 334 D CB -0.446 40.384 40.800 0.049 0.000 0.961 334 D HN 0.477 nan 8.370 nan 0.000 0.460 335 F N 1.102 120.634 119.950 -0.698 0.000 2.102 335 F HA -0.191 4.337 4.527 0.001 0.000 0.298 335 F C 2.101 177.633 175.800 -0.447 0.000 1.105 335 F CA 1.231 58.713 58.000 -0.864 0.000 1.239 335 F CB -0.170 38.493 39.000 -0.561 0.000 0.991 335 F HN -0.177 nan 8.300 nan 0.000 0.474 336 M N 0.365 119.776 119.600 -0.314 0.000 2.279 336 M HA -0.041 4.440 4.480 0.001 0.000 0.264 336 M C 2.146 178.256 176.300 -0.317 0.000 1.062 336 M CA 1.356 56.469 55.300 -0.311 0.000 1.099 336 M CB -1.918 30.623 32.600 -0.098 0.000 1.394 336 M HN 0.332 nan 8.290 nan 0.000 0.426 337 A N -0.520 122.133 122.820 -0.279 0.000 2.302 337 A HA 0.095 4.416 4.320 0.001 0.000 0.219 337 A C 0.967 178.397 177.584 -0.256 0.000 1.243 337 A CA 0.234 52.142 52.037 -0.214 0.000 0.856 337 A CB -0.304 18.612 19.000 -0.139 0.000 0.893 337 A HN 0.449 nan 8.150 nan 0.000 0.491 338 K N -2.072 118.089 120.400 -0.399 0.000 3.281 338 K HA -0.199 4.122 4.320 0.001 0.000 0.295 338 K C 0.817 177.248 176.600 -0.282 0.000 1.233 338 K CA 1.250 57.312 56.287 -0.375 0.000 0.866 338 K CB -1.674 30.679 32.500 -0.244 0.000 1.265 338 K HN 0.453 nan 8.250 nan 0.000 0.482 339 K N -0.212 119.993 120.400 -0.325 0.000 2.097 339 K HA 0.039 4.360 4.320 0.001 0.000 0.206 339 K C 0.539 177.145 176.600 0.010 0.000 1.049 339 K CA 1.776 57.979 56.287 -0.139 0.000 0.933 339 K CB 0.051 32.506 32.500 -0.074 0.000 0.717 339 K HN 0.424 nan 8.250 nan 0.000 0.442 340 F N -3.415 116.543 119.950 0.013 0.000 2.711 340 F HA 0.728 5.256 4.527 0.002 0.000 0.313 340 F C -1.218 174.610 175.800 0.048 0.000 1.141 340 F CA -2.093 55.941 58.000 0.055 0.000 0.941 340 F CB 0.868 39.925 39.000 0.096 0.000 1.349 340 F HN -0.259 nan 8.300 nan 0.000 0.464 341 A N 1.093 124.133 122.820 0.366 0.000 2.337 341 A HA 0.826 5.147 4.320 0.001 0.000 0.331 341 A C -0.547 177.216 177.584 0.298 0.000 1.137 341 A CA -0.746 51.465 52.037 0.292 0.000 0.807 341 A CB 1.369 20.464 19.000 0.158 0.000 1.250 341 A HN 0.985 nan 8.150 nan 0.000 0.468 342 L N -0.091 121.281 121.223 0.249 0.000 2.749 342 L HA 0.119 4.460 4.340 0.001 0.000 0.242 342 L C 1.058 177.957 176.870 0.049 0.000 1.103 342 L CA 0.105 54.966 54.840 0.035 0.000 0.906 342 L CB -0.034 41.894 42.059 -0.218 0.000 1.228 342 L HN 0.693 nan 8.230 nan 0.000 0.517 343 D N 1.344 121.798 120.400 0.090 0.000 2.133 343 D HA -0.176 4.464 4.640 0.001 0.000 0.192 343 D C -0.675 175.656 176.300 0.052 0.000 1.001 343 D CA 1.658 55.695 54.000 0.061 0.000 0.844 343 D CB -1.280 39.559 40.800 0.065 0.000 0.944 343 D HN 0.183 nan 8.370 nan 0.000 0.447 344 P HA -0.108 nan 4.420 nan 0.000 0.218 344 P C 1.352 178.691 177.300 0.065 0.000 1.146 344 P CA 0.906 64.045 63.100 0.065 0.000 0.813 344 P CB -0.049 31.700 31.700 0.082 0.000 0.778 345 L N -2.116 119.147 121.223 0.067 0.000 2.341 345 L HA 0.068 4.409 4.340 0.001 0.000 0.214 345 L C 1.145 178.047 176.870 0.054 0.000 1.115 345 L CA 0.167 55.048 54.840 0.068 0.000 0.820 345 L CB -0.370 41.736 42.059 0.079 0.000 0.944 345 L HN -0.094 nan 8.230 nan 0.000 0.452 346 I N 0.688 121.282 120.570 0.040 0.000 2.301 346 I HA 0.026 4.197 4.170 0.001 0.000 0.292 346 I C 1.210 177.348 176.117 0.035 0.000 1.046 346 I CA -0.019 61.302 61.300 0.035 0.000 1.282 346 I CB 1.364 39.373 38.000 0.016 0.000 1.409 346 I HN 0.101 nan 8.210 nan 0.000 0.484 347 T N 0.555 115.156 114.554 0.079 0.000 2.990 347 T HA 0.215 4.566 4.350 0.001 0.000 0.249 347 T C 0.336 174.962 174.700 -0.123 0.000 1.039 347 T CA 0.194 62.321 62.100 0.046 0.000 1.036 347 T CB 0.060 69.045 68.868 0.195 0.000 0.994 347 T HN 0.504 nan 8.240 nan 0.000 0.489 348 H N -0.504 118.553 119.070 -0.021 0.000 2.974 348 H HA 0.742 5.299 4.556 0.001 0.000 0.366 348 H C -1.556 173.751 175.328 -0.035 0.000 1.155 348 H CA -0.757 55.273 56.048 -0.029 0.000 1.186 348 H CB 2.281 32.020 29.762 -0.038 0.000 1.799 348 H HN 0.036 nan 8.280 nan 0.000 0.541 349 V N 3.952 123.906 119.914 0.068 0.000 2.569 349 V HA 0.400 4.521 4.120 0.001 0.000 0.301 349 V C -0.812 175.284 176.094 0.004 0.000 1.044 349 V CA -0.543 61.769 62.300 0.020 0.000 0.874 349 V CB 1.641 33.464 31.823 -0.000 0.000 1.002 349 V HN 0.502 nan 8.190 nan 0.000 0.424 350 L N 6.235 127.444 121.223 -0.023 0.000 2.388 350 L HA 0.616 4.957 4.340 0.001 0.000 0.264 350 L C -2.507 174.313 176.870 -0.083 0.000 0.998 350 L CA -2.065 52.746 54.840 -0.048 0.000 0.817 350 L CB 3.335 45.357 42.059 -0.061 0.000 1.338 350 L HN 0.374 nan 8.230 nan 0.000 0.414 351 P HA -0.061 nan 4.420 nan 0.000 0.266 351 P C 0.561 177.765 177.300 -0.160 0.000 1.195 351 P CA -0.073 62.964 63.100 -0.105 0.000 0.768 351 P CB 0.474 32.130 31.700 -0.074 0.000 0.838 352 F N 3.540 123.232 119.950 -0.429 0.000 2.147 352 F HA -0.254 4.274 4.527 0.001 0.000 0.301 352 F C 1.538 177.148 175.800 -0.317 0.000 1.084 352 F CA 1.949 59.621 58.000 -0.547 0.000 1.268 352 F CB -0.646 37.783 39.000 -0.952 0.000 1.009 352 F HN 0.279 nan 8.300 nan 0.000 0.486 353 E N 0.169 120.116 120.200 -0.422 0.000 2.333 353 E HA -0.137 4.214 4.350 0.001 0.000 0.198 353 E C 1.285 177.676 176.600 -0.347 0.000 1.007 353 E CA 1.036 57.174 56.400 -0.436 0.000 0.845 353 E CB -0.293 29.292 29.700 -0.192 0.000 0.766 353 E HN 0.408 nan 8.360 nan 0.000 0.507 354 K N 0.370 120.603 120.400 -0.279 0.000 2.577 354 K HA 0.210 4.531 4.320 0.001 0.000 0.210 354 K C 1.281 177.758 176.600 -0.205 0.000 1.048 354 K CA -0.173 55.999 56.287 -0.191 0.000 1.188 354 K CB 0.096 32.523 32.500 -0.121 0.000 0.910 354 K HN 0.143 nan 8.250 nan 0.000 0.483 355 I N 1.106 121.473 120.570 -0.337 0.000 2.151 355 I HA -0.423 3.747 4.170 0.001 0.000 0.243 355 I C 1.460 177.539 176.117 -0.063 0.000 1.080 355 I CA 1.644 62.757 61.300 -0.311 0.000 1.339 355 I CB 0.087 37.716 38.000 -0.619 0.000 1.039 355 I HN 0.369 nan 8.210 nan 0.000 0.409 356 N N 0.792 119.460 118.700 -0.052 0.000 2.149 356 N HA -0.244 4.497 4.740 0.001 0.000 0.188 356 N C 1.702 177.263 175.510 0.085 0.000 1.019 356 N CA 1.692 54.784 53.050 0.070 0.000 0.857 356 N CB -0.354 38.151 38.487 0.031 0.000 0.997 356 N HN 0.583 nan 8.380 nan 0.000 0.426 357 E N 0.208 120.414 120.200 0.011 0.000 2.077 357 E HA -0.105 4.246 4.350 0.001 0.000 0.193 357 E C 2.068 178.661 176.600 -0.012 0.000 0.989 357 E CA 0.996 57.394 56.400 -0.003 0.000 0.800 357 E CB -0.232 29.450 29.700 -0.031 0.000 0.746 357 E HN 0.399 nan 8.360 nan 0.000 0.452 358 G N 0.282 109.065 108.800 -0.028 0.000 2.418 358 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 358 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 358 G C 1.210 176.038 174.900 -0.120 0.000 1.158 358 G CA 0.449 45.485 45.100 -0.106 0.000 0.771 358 G HN 0.146 nan 8.290 nan 0.000 0.545 359 F N 1.584 121.487 119.950 -0.078 0.000 2.234 359 F HA 0.030 4.558 4.527 0.001 0.000 0.299 359 F C 2.409 178.196 175.800 -0.021 0.000 1.087 359 F CA 1.174 59.166 58.000 -0.014 0.000 1.340 359 F CB 0.001 39.052 39.000 0.085 0.000 1.031 359 F HN 0.078 nan 8.300 nan 0.000 0.500 360 D N 0.282 120.754 120.400 0.120 0.000 2.117 360 D HA -0.162 4.478 4.640 0.001 0.000 0.197 360 D C 2.484 178.773 176.300 -0.019 0.000 0.987 360 D CA 1.148 55.177 54.000 0.047 0.000 0.829 360 D CB -0.644 40.171 40.800 0.025 0.000 0.961 360 D HN 0.253 nan 8.370 nan 0.000 0.460 361 L N 0.333 121.507 121.223 -0.081 0.000 2.079 361 L HA -0.164 4.177 4.340 0.001 0.000 0.210 361 L C 2.506 179.279 176.870 -0.162 0.000 1.081 361 L CA 0.537 55.273 54.840 -0.173 0.000 0.752 361 L CB -0.273 41.592 42.059 -0.323 0.000 0.896 361 L HN 0.063 nan 8.230 nan 0.000 0.433 362 L N -0.372 120.760 121.223 -0.151 0.000 2.044 362 L HA -0.144 4.196 4.340 0.001 0.000 0.205 362 L C 2.691 179.528 176.870 -0.055 0.000 1.075 362 L CA 1.472 56.230 54.840 -0.137 0.000 0.747 362 L CB -0.285 41.638 42.059 -0.227 0.000 0.903 362 L HN 0.026 nan 8.230 nan 0.000 0.435 363 R N -0.285 120.211 120.500 -0.007 0.000 2.152 363 R HA -0.101 4.240 4.340 0.001 0.000 0.232 363 R C 2.407 178.715 176.300 0.013 0.000 1.117 363 R CA 1.337 57.454 56.100 0.029 0.000 0.981 363 R CB -0.459 29.879 30.300 0.064 0.000 0.870 363 R HN 0.672 nan 8.270 nan 0.000 0.451 364 S N -1.097 114.598 115.700 -0.007 0.000 2.436 364 S HA 0.057 4.528 4.470 0.001 0.000 0.228 364 S C 1.579 176.174 174.600 -0.009 0.000 1.014 364 S CA 0.659 58.855 58.200 -0.007 0.000 0.950 364 S CB 0.446 63.636 63.200 -0.018 0.000 0.784 364 S HN 0.480 nan 8.310 nan 0.000 0.504 365 G N 1.767 110.555 108.800 -0.020 0.000 2.175 365 G HA2 -0.308 3.653 3.960 0.001 0.000 0.244 365 G HA3 -0.308 3.653 3.960 0.001 0.000 0.244 365 G C 0.569 175.458 174.900 -0.017 0.000 0.982 365 G CA 0.481 45.574 45.100 -0.013 0.000 0.641 365 G HN 0.753 nan 8.290 nan 0.000 0.527 366 E N 0.537 120.714 120.200 -0.037 0.000 2.481 366 E HA 0.234 4.585 4.350 0.001 0.000 0.195 366 E C 1.096 177.695 176.600 -0.003 0.000 1.047 366 E CA 0.872 57.264 56.400 -0.014 0.000 0.867 366 E CB -0.007 29.691 29.700 -0.003 0.000 0.858 366 E HN 0.799 nan 8.360 nan 0.000 0.513 367 S N -0.300 115.345 115.700 -0.091 0.000 2.537 367 S HA 0.361 4.832 4.470 0.001 0.000 0.301 367 S C 0.905 175.511 174.600 0.009 0.000 1.092 367 S CA -1.007 57.159 58.200 -0.055 0.000 1.048 367 S CB 1.504 64.526 63.200 -0.296 0.000 1.053 367 S HN 0.076 nan 8.310 nan 0.000 0.501 368 I N 0.306 120.917 120.570 0.068 0.000 2.296 368 I HA 0.243 4.414 4.170 0.001 0.000 0.242 368 I C 0.990 177.125 176.117 0.029 0.000 1.087 368 I CA 1.078 62.409 61.300 0.051 0.000 1.393 368 I CB -0.402 37.640 38.000 0.070 0.000 1.093 368 I HN 0.600 nan 8.210 nan 0.000 0.421 369 R N 0.236 120.763 120.500 0.045 0.000 2.548 369 R HA 0.379 4.720 4.340 0.001 0.000 0.280 369 R C -1.235 175.078 176.300 0.022 0.000 1.061 369 R CA -0.268 55.839 56.100 0.013 0.000 0.915 369 R CB 1.935 32.251 30.300 0.026 0.000 1.210 369 R HN -0.046 nan 8.270 nan 0.000 0.442 370 T N 4.171 118.698 114.554 -0.045 0.000 2.829 370 T HA 0.522 4.873 4.350 0.001 0.000 0.282 370 T C 0.138 174.817 174.700 -0.035 0.000 0.990 370 T CA -0.489 61.593 62.100 -0.031 0.000 1.028 370 T CB 0.971 69.771 68.868 -0.113 0.000 0.951 370 T HN 0.205 nan 8.240 nan 0.000 0.460 371 I N 3.796 124.362 120.570 -0.007 0.000 2.377 371 I HA 0.411 4.582 4.170 0.001 0.000 0.293 371 I C -0.054 176.049 176.117 -0.023 0.000 0.987 371 I CA -1.011 60.287 61.300 -0.004 0.000 1.185 371 I CB 1.362 39.366 38.000 0.007 0.000 1.341 371 I HN 0.489 nan 8.210 nan 0.000 0.455 372 L N 5.709 126.915 121.223 -0.027 0.000 2.325 372 L HA 0.588 4.929 4.340 0.001 0.000 0.279 372 L C 0.331 177.132 176.870 -0.114 0.000 1.054 372 L CA -0.485 54.300 54.840 -0.093 0.000 0.804 372 L CB 1.763 43.756 42.059 -0.110 0.000 1.200 372 L HN 0.652 nan 8.230 nan 0.000 0.436 373 T N -1.618 112.820 114.554 -0.193 0.000 2.907 373 T HA 0.700 5.051 4.350 0.001 0.000 0.292 373 T C -0.532 173.984 174.700 -0.306 0.000 1.043 373 T CA -0.649 61.374 62.100 -0.128 0.000 1.003 373 T CB 1.643 70.500 68.868 -0.018 0.000 1.084 373 T HN 0.122 nan 8.240 nan 0.000 0.483 374 F N 0.000 119.945 119.950 -0.009 0.000 2.286 374 F HA 0.000 4.528 4.527 0.001 0.000 0.279 374 F CA 0.000 57.986 58.000 -0.023 0.000 1.383 374 F CB 0.000 38.921 39.000 -0.132 0.000 1.145 374 F HN 0.000 nan 8.300 nan 0.000 0.574