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 1tei_1_F DATA FIRST_RESID 1 DATA SEQUENCE ADTIVAVELD TYPNTDIGDP SYPHIGIDIK SVRSKKTAKW NMQNGKVGTA DATA SEQUENCE HIIYNSVDKR LSAVVSYPNA DSATVSYDVD LDNVLPEWVR VGLSASTGLY DATA SEQUENCE KETNTILSWS FTSKLKSNST HETNALHFMF NQFSKDQKDL ILQGDATTGT DATA SEQUENCE DGNLELTRVS SNGSPQGSSV GRALFYAPVH IWESSAVVAS FEATFTFLIK DATA SEQUENCE SPDSHPADGI AFFISNIDSS IPSGSTGRLL GLFPDAN 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.595 177.584 0.018 0.000 1.274 1 A CA 0.000 52.047 52.037 0.017 0.000 0.836 1 A CB 0.000 19.011 19.000 0.018 0.000 0.831 2 D N 1.311 121.712 120.400 0.002 0.000 2.382 2 D HA 0.347 4.986 4.640 -0.000 0.000 0.240 2 D C 0.242 176.555 176.300 0.022 0.000 1.146 2 D CA 1.069 55.066 54.000 -0.004 0.000 0.897 2 D CB 0.793 41.561 40.800 -0.053 0.000 1.197 2 D HN 0.189 nan 8.370 nan 0.000 0.432 3 T N 2.390 116.966 114.554 0.037 0.000 2.743 3 T HA 0.411 4.761 4.350 -0.000 0.000 0.292 3 T C 0.054 174.790 174.700 0.059 0.000 0.972 3 T CA -0.586 61.554 62.100 0.067 0.000 0.967 3 T CB 0.473 69.393 68.868 0.086 0.000 0.926 3 T HN 0.103 nan 8.240 nan 0.000 0.459 4 I N 3.645 124.259 120.570 0.073 0.000 2.509 4 I HA 0.527 4.696 4.170 -0.000 0.000 0.293 4 I C -0.450 175.747 176.117 0.133 0.000 1.020 4 I CA -1.008 60.321 61.300 0.047 0.000 1.088 4 I CB 1.997 39.897 38.000 -0.168 0.000 1.267 4 I HN 0.289 nan 8.210 nan 0.000 0.430 5 V N 4.855 124.843 119.914 0.124 0.000 2.482 5 V HA 0.826 4.946 4.120 -0.000 0.000 0.295 5 V C -0.085 176.104 176.094 0.159 0.000 1.026 5 V CA -0.384 62.006 62.300 0.150 0.000 0.856 5 V CB 1.668 33.568 31.823 0.129 0.000 1.001 5 V HN 0.944 nan 8.190 nan 0.000 0.424 6 A N 4.323 127.262 122.820 0.198 0.000 2.566 6 A HA 0.961 5.280 4.320 -0.000 0.000 0.292 6 A C -1.470 176.255 177.584 0.234 0.000 1.112 6 A CA -0.659 51.504 52.037 0.211 0.000 0.707 6 A CB 2.348 21.449 19.000 0.168 0.000 1.302 6 A HN 0.616 nan 8.150 nan 0.000 0.409 7 V N 2.008 122.085 119.914 0.272 0.000 2.376 7 V HA 0.392 4.512 4.120 -0.000 0.000 0.287 7 V C -0.368 175.825 176.094 0.166 0.000 1.015 7 V CA -0.395 62.040 62.300 0.226 0.000 0.834 7 V CB 1.212 33.203 31.823 0.280 0.000 1.001 7 V HN 0.992 nan 8.190 nan 0.000 0.428 8 E N 5.253 125.508 120.200 0.091 0.000 2.204 8 E HA 0.659 5.009 4.350 -0.000 0.000 0.276 8 E C -1.285 175.266 176.600 -0.082 0.000 0.974 8 E CA -0.946 55.472 56.400 0.029 0.000 0.815 8 E CB 1.949 31.678 29.700 0.049 0.000 1.119 8 E HN 0.355 nan 8.360 nan 0.000 0.393 9 L N 3.123 124.265 121.223 -0.134 0.000 2.426 9 L HA 0.207 4.547 4.340 -0.000 0.000 0.255 9 L C -0.587 176.294 176.870 0.019 0.000 1.080 9 L CA -0.303 54.355 54.840 -0.304 0.000 0.960 9 L CB 0.623 42.357 42.059 -0.542 0.000 1.326 9 L HN 0.624 nan 8.230 nan 0.000 0.441 10 D N 0.657 121.036 120.400 -0.034 0.000 2.344 10 D HA 0.062 4.702 4.640 -0.000 0.000 0.253 10 D C 1.286 177.661 176.300 0.125 0.000 1.255 10 D CA 0.205 54.162 54.000 -0.072 0.000 0.894 10 D CB 1.215 41.681 40.800 -0.556 0.000 1.067 10 D HN 0.582 nan 8.370 nan 0.000 0.492 11 T N 1.263 115.948 114.554 0.218 0.000 3.035 11 T HA -0.029 4.321 4.350 -0.000 0.000 0.259 11 T C 0.753 175.574 174.700 0.201 0.000 1.078 11 T CA 0.237 62.452 62.100 0.192 0.000 1.132 11 T CB -0.064 68.911 68.868 0.178 0.000 0.900 11 T HN 0.341 nan 8.240 nan 0.000 0.480 12 Y N 4.110 124.476 120.300 0.110 0.000 2.328 12 Y HA 0.474 5.024 4.550 -0.000 0.000 0.337 12 Y C -2.796 173.194 175.900 0.149 0.000 0.966 12 Y CA -3.104 55.068 58.100 0.121 0.000 1.136 12 Y CB 1.880 40.416 38.460 0.127 0.000 1.170 12 Y HN -0.032 nan 8.280 nan 0.000 0.470 13 P HA 0.183 nan 4.420 nan 0.000 0.282 13 P C -1.457 175.711 177.300 -0.219 0.000 1.262 13 P CA -0.222 62.772 63.100 -0.177 0.000 0.773 13 P CB 0.832 32.406 31.700 -0.211 0.000 0.879 14 N N 1.333 120.038 118.700 0.009 0.000 2.904 14 N HA 0.094 4.834 4.740 -0.000 0.000 0.257 14 N C 1.337 176.849 175.510 0.002 0.000 1.363 14 N CA -0.331 52.763 53.050 0.073 0.000 0.856 14 N CB 0.416 39.000 38.487 0.162 0.000 1.166 14 N HN 0.322 nan 8.380 nan 0.000 0.499 15 T N -2.204 112.323 114.554 -0.046 0.000 2.737 15 T HA -0.270 4.079 4.350 -0.000 0.000 0.269 15 T C 1.432 176.111 174.700 -0.036 0.000 1.040 15 T CA 1.510 63.571 62.100 -0.066 0.000 1.142 15 T CB -0.270 68.553 68.868 -0.074 0.000 0.861 15 T HN 0.422 nan 8.240 nan 0.000 0.456 16 D N 2.643 123.039 120.400 -0.006 0.000 2.311 16 D HA -0.129 4.511 4.640 -0.000 0.000 0.212 16 D C 1.648 177.944 176.300 -0.007 0.000 0.972 16 D CA 0.958 54.958 54.000 -0.000 0.000 0.887 16 D CB -0.677 40.134 40.800 0.018 0.000 0.915 16 D HN 0.803 nan 8.370 nan 0.000 0.497 17 I N -5.941 114.623 120.570 -0.009 0.000 3.947 17 I HA 0.613 4.783 4.170 -0.000 0.000 0.327 17 I C 1.161 177.253 176.117 -0.040 0.000 1.519 17 I CA -0.135 61.153 61.300 -0.020 0.000 1.122 17 I CB 0.838 38.833 38.000 -0.009 0.000 1.146 17 I HN 0.023 nan 8.210 nan 0.000 0.442 18 G N 0.653 109.421 108.800 -0.052 0.000 2.179 18 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 18 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 18 G C -0.288 174.543 174.900 -0.115 0.000 0.990 18 G CA -0.054 45.000 45.100 -0.076 0.000 0.646 18 G HN 0.438 nan 8.290 nan 0.000 0.517 19 D N 1.975 122.308 120.400 -0.112 0.000 2.399 19 D HA 0.481 5.121 4.640 -0.000 0.000 0.241 19 D C -1.757 174.321 176.300 -0.371 0.000 1.133 19 D CA -0.764 53.110 54.000 -0.211 0.000 0.890 19 D CB 1.032 41.790 40.800 -0.070 0.000 1.201 19 D HN 0.150 nan 8.370 nan 0.000 0.432 20 P HA 0.100 nan 4.420 nan 0.000 0.274 20 P C -0.218 176.630 177.300 -0.754 0.000 1.246 20 P CA -0.359 62.258 63.100 -0.805 0.000 0.795 20 P CB 0.499 31.413 31.700 -1.310 0.000 1.006 21 S N 0.306 115.629 115.700 -0.628 0.000 3.033 21 S HA 0.234 4.704 4.470 -0.000 0.000 0.258 21 S C -0.380 174.115 174.600 -0.176 0.000 1.207 21 S CA -0.178 57.835 58.200 -0.311 0.000 1.248 21 S CB -1.550 61.575 63.200 -0.125 0.000 0.932 21 S HN 0.458 nan 8.310 nan 0.000 0.472 22 Y N -4.882 115.398 120.300 -0.033 0.000 2.687 22 Y HA 0.627 5.177 4.550 -0.000 0.000 0.338 22 Y C -3.697 172.307 175.900 0.172 0.000 1.189 22 Y CA -3.205 54.907 58.100 0.019 0.000 1.097 22 Y CB -0.236 38.234 38.460 0.016 0.000 1.342 22 Y HN -0.149 nan 8.280 nan 0.000 0.461 23 P HA 0.178 nan 4.420 nan 0.000 0.265 23 P C -0.734 176.957 177.300 0.650 0.000 1.193 23 P CA 0.900 64.213 63.100 0.356 0.000 0.765 23 P CB 0.238 31.956 31.700 0.031 0.000 0.823 24 H N 1.570 120.939 119.070 0.498 0.000 2.960 24 H HA 0.610 5.166 4.556 -0.000 0.000 0.323 24 H C -0.785 174.775 175.328 0.387 0.000 1.326 24 H CA -1.169 55.181 56.048 0.503 0.000 1.124 24 H CB 0.665 30.646 29.762 0.366 0.000 1.853 24 H HN 0.273 nan 8.280 nan 0.000 0.536 25 I N -1.061 119.659 120.570 0.250 0.000 2.603 25 I HA 0.884 5.054 4.170 -0.000 0.000 0.300 25 I C -0.222 175.969 176.117 0.124 0.000 1.017 25 I CA -0.858 60.442 61.300 -0.000 0.000 1.098 25 I CB 2.280 40.197 38.000 -0.138 0.000 1.279 25 I HN 0.815 nan 8.210 nan 0.000 0.437 26 G N 5.037 113.885 108.800 0.081 0.000 2.692 26 G HA2 0.669 4.629 3.960 -0.000 0.000 0.291 26 G HA3 0.669 4.629 3.960 -0.000 0.000 0.291 26 G C -1.500 173.447 174.900 0.079 0.000 1.423 26 G CA -0.833 44.336 45.100 0.115 0.000 0.843 26 G HN 0.640 nan 8.290 nan 0.000 0.486 27 I N 1.682 122.278 120.570 0.044 0.000 2.328 27 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 27 I C -1.060 175.042 176.117 -0.025 0.000 1.012 27 I CA -0.739 60.583 61.300 0.038 0.000 1.195 27 I CB 1.654 39.675 38.000 0.035 0.000 1.350 27 I HN 0.209 nan 8.210 nan 0.000 0.464 28 D N 7.855 128.290 120.400 0.057 0.000 2.233 28 D HA 0.429 5.069 4.640 -0.000 0.000 0.240 28 D C -0.271 176.087 176.300 0.097 0.000 1.074 28 D CA -0.199 53.830 54.000 0.049 0.000 0.838 28 D CB 2.276 43.171 40.800 0.158 0.000 1.124 28 D HN 0.164 nan 8.370 nan 0.000 0.475 29 I N 2.396 122.985 120.570 0.032 0.000 2.405 29 I HA 0.134 4.304 4.170 -0.000 0.000 0.280 29 I C 0.770 176.941 176.117 0.091 0.000 1.027 29 I CA -0.514 60.838 61.300 0.087 0.000 1.161 29 I CB 0.698 38.745 38.000 0.079 0.000 1.300 29 I HN 0.456 nan 8.210 nan 0.000 0.463 30 K N 1.709 122.222 120.400 0.189 0.000 3.349 30 K HA -0.199 4.121 4.320 -0.000 0.000 0.310 30 K C 0.263 176.928 176.600 0.108 0.000 1.267 30 K CA 1.061 57.475 56.287 0.213 0.000 0.920 30 K CB -0.883 31.691 32.500 0.122 0.000 1.240 30 K HN 0.650 nan 8.250 nan 0.000 0.453 31 S N -0.787 114.826 115.700 -0.145 0.000 2.537 31 S HA 0.327 4.797 4.470 -0.000 0.000 0.271 31 S C 0.212 174.175 174.600 -1.062 0.000 1.148 31 S CA -0.322 57.527 58.200 -0.584 0.000 0.868 31 S CB 2.332 65.368 63.200 -0.273 0.000 1.115 31 S HN 0.092 nan 8.310 nan 0.000 0.461 32 V N 3.856 122.959 119.914 -1.351 0.000 2.970 32 V HA 0.214 4.334 4.120 -0.000 0.000 0.260 32 V C 0.943 176.830 176.094 -0.346 0.000 1.100 32 V CA 1.228 62.990 62.300 -0.897 0.000 1.122 32 V CB -0.567 30.932 31.823 -0.540 0.000 0.721 32 V HN 0.736 nan 8.190 nan 0.000 0.483 33 R N 1.712 122.034 120.500 -0.297 0.000 2.429 33 R HA 0.243 4.583 4.340 -0.000 0.000 0.302 33 R C 0.427 176.643 176.300 -0.141 0.000 1.268 33 R CA -0.040 55.964 56.100 -0.160 0.000 1.090 33 R CB 0.212 30.430 30.300 -0.136 0.000 1.102 33 R HN 0.369 nan 8.270 nan 0.000 0.522 34 S N 3.094 118.741 115.700 -0.089 0.000 2.702 34 S HA -0.059 4.411 4.470 -0.000 0.000 0.314 34 S C 1.193 175.714 174.600 -0.131 0.000 1.244 34 S CA 0.047 58.201 58.200 -0.077 0.000 1.058 34 S CB 0.490 63.698 63.200 0.013 0.000 0.783 34 S HN 0.442 nan 8.310 nan 0.000 0.503 35 K N 1.476 121.731 120.400 -0.241 0.000 2.439 35 K HA 0.070 4.390 4.320 -0.000 0.000 0.197 35 K C 0.456 176.881 176.600 -0.291 0.000 1.041 35 K CA 0.791 56.862 56.287 -0.360 0.000 0.970 35 K CB -0.113 31.902 32.500 -0.808 0.000 0.773 35 K HN 0.527 nan 8.250 nan 0.000 0.479 36 K N -0.008 120.280 120.400 -0.187 0.000 2.583 36 K HA 0.138 4.458 4.320 -0.000 0.000 0.260 36 K C -1.294 175.326 176.600 0.032 0.000 0.931 36 K CA -0.284 55.983 56.287 -0.035 0.000 0.849 36 K CB 1.383 33.902 32.500 0.031 0.000 1.347 36 K HN 0.021 nan 8.250 nan 0.000 0.425 37 T N -0.261 114.341 114.554 0.081 0.000 2.838 37 T HA 0.950 5.300 4.350 -0.000 0.000 0.292 37 T C -1.180 173.626 174.700 0.177 0.000 1.113 37 T CA -0.633 61.557 62.100 0.151 0.000 1.008 37 T CB 1.759 70.722 68.868 0.159 0.000 1.259 37 T HN 0.812 nan 8.240 nan 0.000 0.520 38 A N 0.833 123.803 122.820 0.249 0.000 2.540 38 A HA 0.694 5.014 4.320 -0.000 0.000 0.297 38 A C -0.566 177.214 177.584 0.325 0.000 1.056 38 A CA -0.970 51.205 52.037 0.229 0.000 0.700 38 A CB 1.415 20.508 19.000 0.154 0.000 1.280 38 A HN 1.069 nan 8.150 nan 0.000 0.398 39 K N 0.988 121.514 120.400 0.209 0.000 2.489 39 K HA 0.159 4.479 4.320 -0.000 0.000 0.278 39 K C -1.004 175.757 176.600 0.267 0.000 1.000 39 K CA 0.376 56.710 56.287 0.077 0.000 1.012 39 K CB 0.366 32.620 32.500 -0.410 0.000 0.903 39 K HN 0.656 nan 8.250 nan 0.000 0.485 40 W N 5.661 127.041 121.300 0.134 0.000 2.554 40 W HA 0.287 4.947 4.660 -0.000 0.000 0.324 40 W C -1.080 175.520 176.519 0.136 0.000 1.018 40 W CA -1.116 56.314 57.345 0.142 0.000 1.243 40 W CB 0.729 30.290 29.460 0.169 0.000 1.345 40 W HN 0.518 nan 8.180 nan 0.000 0.441 41 N N 7.247 125.982 118.700 0.058 0.000 3.050 41 N HA 0.001 4.741 4.740 -0.000 0.000 0.289 41 N C 0.380 175.667 175.510 -0.371 0.000 1.209 41 N CA -0.071 52.894 53.050 -0.141 0.000 1.154 41 N CB 0.327 38.807 38.487 -0.011 0.000 1.444 41 N HN 0.369 nan 8.380 nan 0.000 0.529 42 M N 1.549 120.631 119.600 -0.864 0.000 2.260 42 M HA -0.058 4.422 4.480 -0.000 0.000 0.348 42 M C -0.274 175.756 176.300 -0.450 0.000 1.342 42 M CA 0.856 55.622 55.300 -0.891 0.000 1.040 42 M CB 0.140 32.035 32.600 -1.175 0.000 1.810 42 M HN 0.298 nan 8.290 nan 0.000 0.453 43 Q N 3.957 123.453 119.800 -0.506 0.000 2.462 43 Q HA 0.221 4.560 4.340 -0.000 0.000 0.247 43 Q C -0.545 175.297 176.000 -0.262 0.000 1.044 43 Q CA -0.531 54.936 55.803 -0.560 0.000 0.803 43 Q CB 0.704 28.832 28.738 -1.016 0.000 1.190 43 Q HN 0.589 nan 8.270 nan 0.000 0.507 44 N N 1.196 119.810 118.700 -0.143 0.000 2.359 44 N HA -0.064 4.676 4.740 -0.000 0.000 0.261 44 N C 0.925 176.422 175.510 -0.022 0.000 1.267 44 N CA 2.002 55.029 53.050 -0.038 0.000 0.864 44 N CB 0.560 39.023 38.487 -0.040 0.000 1.063 44 N HN 0.865 nan 8.380 nan 0.000 0.474 45 G N 2.334 111.159 108.800 0.042 0.000 2.176 45 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 45 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 45 G C -0.114 174.817 174.900 0.051 0.000 0.979 45 G CA 0.455 45.582 45.100 0.044 0.000 0.641 45 G HN 0.640 nan 8.290 nan 0.000 0.530 46 K N 0.007 120.442 120.400 0.058 0.000 2.203 46 K HA 0.631 4.951 4.320 -0.000 0.000 0.251 46 K C 0.049 176.777 176.600 0.213 0.000 0.944 46 K CA -0.944 55.397 56.287 0.091 0.000 0.829 46 K CB 2.797 35.289 32.500 -0.014 0.000 1.125 46 K HN -0.001 nan 8.250 nan 0.000 0.430 47 V N 2.371 122.361 119.914 0.127 0.000 2.470 47 V HA 0.215 4.334 4.120 -0.000 0.000 0.276 47 V C 0.673 176.688 176.094 -0.131 0.000 1.040 47 V CA -0.052 62.240 62.300 -0.012 0.000 1.008 47 V CB 0.688 32.509 31.823 -0.003 0.000 0.990 47 V HN 0.936 nan 8.190 nan 0.000 0.477 48 G N 3.561 111.926 108.800 -0.725 0.000 2.597 48 G HA2 0.716 4.676 3.960 -0.000 0.000 0.317 48 G HA3 0.716 4.676 3.960 -0.000 0.000 0.317 48 G C -0.738 173.606 174.900 -0.927 0.000 1.230 48 G CA -0.508 43.924 45.100 -1.113 0.000 0.996 48 G HN 0.563 nan 8.290 nan 0.000 0.490 49 T N -0.129 114.118 114.554 -0.512 0.000 2.881 49 T HA 0.662 5.012 4.350 -0.000 0.000 0.290 49 T C -0.291 174.322 174.700 -0.145 0.000 1.000 49 T CA -0.131 61.830 62.100 -0.232 0.000 0.978 49 T CB 1.632 70.410 68.868 -0.150 0.000 0.997 49 T HN 0.934 nan 8.240 nan 0.000 0.443 50 A N 2.467 125.115 122.820 -0.287 0.000 2.337 50 A HA 0.777 5.097 4.320 -0.000 0.000 0.329 50 A C -1.085 176.315 177.584 -0.307 0.000 1.146 50 A CA -0.571 51.196 52.037 -0.449 0.000 0.800 50 A CB 0.765 19.133 19.000 -1.053 0.000 1.220 50 A HN 0.943 nan 8.150 nan 0.000 0.472 51 H N 1.049 119.965 119.070 -0.257 0.000 2.924 51 H HA 0.634 5.190 4.556 -0.000 0.000 0.333 51 H C -1.609 173.650 175.328 -0.115 0.000 0.979 51 H CA -0.320 55.633 56.048 -0.158 0.000 1.326 51 H CB 0.760 30.455 29.762 -0.112 0.000 1.600 51 H HN 0.492 nan 8.280 nan 0.000 0.520 52 I N 6.521 126.837 120.570 -0.423 0.000 2.493 52 I HA 0.407 4.577 4.170 -0.000 0.000 0.298 52 I C -0.374 175.545 176.117 -0.331 0.000 0.998 52 I CA -0.610 60.546 61.300 -0.240 0.000 1.137 52 I CB 1.560 39.484 38.000 -0.127 0.000 1.310 52 I HN 0.577 nan 8.210 nan 0.000 0.445 53 I N 2.539 122.980 120.570 -0.214 0.000 2.994 53 I HA 0.713 4.883 4.170 -0.000 0.000 0.306 53 I C -1.778 174.155 176.117 -0.307 0.000 1.195 53 I CA -1.027 60.099 61.300 -0.291 0.000 1.001 53 I CB 2.594 40.487 38.000 -0.178 0.000 1.244 53 I HN 0.626 nan 8.210 nan 0.000 0.437 54 Y N 3.307 123.213 120.300 -0.657 0.000 2.573 54 Y HA 0.534 5.084 4.550 -0.000 0.000 0.328 54 Y C -2.113 173.520 175.900 -0.445 0.000 1.170 54 Y CA -0.726 57.019 58.100 -0.592 0.000 1.078 54 Y CB 1.830 39.733 38.460 -0.929 0.000 1.341 54 Y HN 0.979 nan 8.280 nan 0.000 0.459 55 N N 0.350 118.347 118.700 -1.171 0.000 2.367 55 N HA 0.313 5.053 4.740 -0.000 0.000 0.278 55 N C -0.558 174.442 175.510 -0.851 0.000 1.117 55 N CA -0.214 52.396 53.050 -0.734 0.000 0.867 55 N CB 1.778 40.032 38.487 -0.388 0.000 1.649 55 N HN 0.512 nan 8.380 nan 0.000 0.479 56 S N 0.241 115.694 115.700 -0.412 0.000 2.474 56 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 56 S C 1.305 175.801 174.600 -0.174 0.000 0.997 56 S CA 0.901 58.976 58.200 -0.209 0.000 0.949 56 S CB -0.472 62.714 63.200 -0.022 0.000 0.766 56 S HN 0.381 nan 8.310 nan 0.000 0.517 57 V N 2.452 122.253 119.914 -0.188 0.000 2.283 57 V HA -0.098 4.022 4.120 -0.000 0.000 0.243 57 V C 2.279 178.288 176.094 -0.142 0.000 1.039 57 V CA 2.030 64.249 62.300 -0.135 0.000 1.016 57 V CB -0.645 31.106 31.823 -0.120 0.000 0.650 57 V HN 0.433 nan 8.190 nan 0.000 0.449 58 D N -0.584 119.701 120.400 -0.190 0.000 2.289 58 D HA 0.013 4.652 4.640 -0.000 0.000 0.207 58 D C 0.950 177.153 176.300 -0.162 0.000 0.966 58 D CA 0.249 54.152 54.000 -0.163 0.000 0.868 58 D CB -0.132 40.568 40.800 -0.167 0.000 0.943 58 D HN 0.405 nan 8.370 nan 0.000 0.514 59 K N 0.122 120.373 120.400 -0.250 0.000 3.148 59 K HA -0.234 4.086 4.320 -0.000 0.000 0.267 59 K C 0.039 176.645 176.600 0.008 0.000 0.996 59 K CA 0.297 56.518 56.287 -0.109 0.000 0.737 59 K CB -1.077 31.417 32.500 -0.010 0.000 1.308 59 K HN 0.097 nan 8.250 nan 0.000 0.470 60 R N 1.162 121.610 120.500 -0.088 0.000 2.532 60 R HA 0.386 4.726 4.340 -0.000 0.000 0.297 60 R C -1.442 174.958 176.300 0.167 0.000 0.984 60 R CA -0.909 55.214 56.100 0.037 0.000 0.884 60 R CB 0.981 31.254 30.300 -0.045 0.000 1.182 60 R HN 0.134 nan 8.270 nan 0.000 0.442 61 L N 3.111 124.511 121.223 0.295 0.000 2.272 61 L HA 0.550 4.889 4.340 -0.000 0.000 0.289 61 L C -1.242 175.735 176.870 0.178 0.000 1.032 61 L CA 0.365 55.383 54.840 0.298 0.000 0.810 61 L CB 1.655 43.897 42.059 0.305 0.000 1.205 61 L HN 0.581 nan 8.230 nan 0.000 0.422 62 S N 3.425 119.186 115.700 0.103 0.000 2.599 62 S HA 0.993 5.463 4.470 -0.000 0.000 0.294 62 S C -0.884 173.747 174.600 0.053 0.000 1.094 62 S CA -0.401 57.844 58.200 0.075 0.000 0.931 62 S CB 1.871 65.096 63.200 0.041 0.000 1.093 62 S HN 0.956 nan 8.310 nan 0.000 0.488 63 A N 1.179 124.028 122.820 0.047 0.000 2.515 63 A HA 0.832 5.152 4.320 -0.000 0.000 0.298 63 A C -1.557 176.028 177.584 0.003 0.000 1.059 63 A CA -0.671 51.375 52.037 0.015 0.000 0.698 63 A CB 1.330 20.338 19.000 0.013 0.000 1.289 63 A HN 0.648 nan 8.150 nan 0.000 0.404 64 V N 1.335 121.242 119.914 -0.011 0.000 2.686 64 V HA 0.630 4.750 4.120 -0.000 0.000 0.306 64 V C -0.679 175.367 176.094 -0.080 0.000 1.065 64 V CA -0.590 61.697 62.300 -0.022 0.000 0.894 64 V CB 1.654 33.483 31.823 0.009 0.000 1.004 64 V HN 0.771 nan 8.190 nan 0.000 0.424 65 V N 3.518 123.362 119.914 -0.117 0.000 2.604 65 V HA 0.919 5.039 4.120 -0.000 0.000 0.305 65 V C -0.144 175.906 176.094 -0.073 0.000 1.043 65 V CA -0.230 61.963 62.300 -0.179 0.000 0.888 65 V CB 2.110 33.666 31.823 -0.446 0.000 0.995 65 V HN 1.120 nan 8.190 nan 0.000 0.429 66 S N 3.304 118.938 115.700 -0.110 0.000 2.588 66 S HA 0.805 5.275 4.470 -0.000 0.000 0.269 66 S C -1.768 172.712 174.600 -0.201 0.000 1.157 66 S CA -0.847 57.327 58.200 -0.043 0.000 0.824 66 S CB 1.599 64.802 63.200 0.005 0.000 1.126 66 S HN 0.411 nan 8.310 nan 0.000 0.464 67 Y N 0.094 120.446 120.300 0.088 0.000 2.485 67 Y HA 0.621 5.170 4.550 -0.000 0.000 0.345 67 Y C -2.600 173.312 175.900 0.021 0.000 0.998 67 Y CA -2.180 55.944 58.100 0.041 0.000 1.059 67 Y CB 1.401 39.900 38.460 0.065 0.000 1.234 67 Y HN 0.469 nan 8.280 nan 0.000 0.461 68 P HA 0.007 nan 4.420 nan 0.000 0.262 68 P C -0.783 176.568 177.300 0.084 0.000 1.182 68 P CA 0.605 63.756 63.100 0.085 0.000 0.761 68 P CB 0.119 31.857 31.700 0.063 0.000 0.795 69 N N -0.069 118.666 118.700 0.058 0.000 2.738 69 N HA -0.080 4.660 4.740 -0.000 0.000 0.249 69 N C -0.457 175.088 175.510 0.058 0.000 1.047 69 N CA 0.441 53.519 53.050 0.046 0.000 0.707 69 N CB -1.280 37.226 38.487 0.031 0.000 0.937 69 N HN 0.574 nan 8.380 nan 0.000 0.545 70 A N -0.369 122.501 122.820 0.083 0.000 2.606 70 A HA 0.539 4.859 4.320 -0.000 0.000 0.293 70 A C -1.159 176.490 177.584 0.107 0.000 1.082 70 A CA -0.800 51.296 52.037 0.099 0.000 0.685 70 A CB 1.354 20.444 19.000 0.151 0.000 1.284 70 A HN 0.093 nan 8.150 nan 0.000 0.408 71 D N 1.639 122.099 120.400 0.099 0.000 2.382 71 D HA 0.392 5.031 4.640 -0.000 0.000 0.240 71 D C 0.583 176.964 176.300 0.135 0.000 1.146 71 D CA 0.820 54.876 54.000 0.093 0.000 0.897 71 D CB 1.170 42.014 40.800 0.073 0.000 1.197 71 D HN 0.626 nan 8.370 nan 0.000 0.432 72 S N -0.300 115.461 115.700 0.102 0.000 2.565 72 S HA 0.710 5.180 4.470 -0.000 0.000 0.290 72 S C -0.323 174.341 174.600 0.107 0.000 1.150 72 S CA -1.022 57.241 58.200 0.105 0.000 1.058 72 S CB 1.938 65.167 63.200 0.049 0.000 1.032 72 S HN 0.481 nan 8.310 nan 0.000 0.510 73 A N 1.925 124.817 122.820 0.120 0.000 2.306 73 A HA 0.740 5.060 4.320 -0.000 0.000 0.314 73 A C 0.068 177.680 177.584 0.047 0.000 1.164 73 A CA -0.598 51.506 52.037 0.112 0.000 0.822 73 A CB 0.584 19.686 19.000 0.169 0.000 1.130 73 A HN 0.822 nan 8.150 nan 0.000 0.496 74 T N 0.880 115.467 114.554 0.054 0.000 2.893 74 T HA 0.598 4.948 4.350 -0.000 0.000 0.293 74 T C -1.306 173.429 174.700 0.058 0.000 1.027 74 T CA -0.394 61.730 62.100 0.041 0.000 0.988 74 T CB 1.573 70.464 68.868 0.038 0.000 1.043 74 T HN 1.024 nan 8.240 nan 0.000 0.461 75 V N 1.978 121.928 119.914 0.059 0.000 2.932 75 V HA 0.816 4.936 4.120 -0.000 0.000 0.307 75 V C -1.304 174.848 176.094 0.096 0.000 1.147 75 V CA -0.226 62.125 62.300 0.084 0.000 0.951 75 V CB 2.437 34.314 31.823 0.090 0.000 1.031 75 V HN 0.972 nan 8.190 nan 0.000 0.426 76 S N 4.337 120.111 115.700 0.123 0.000 2.618 76 S HA 0.867 5.336 4.470 -0.000 0.000 0.277 76 S C -1.973 172.769 174.600 0.238 0.000 1.138 76 S CA -0.516 57.770 58.200 0.144 0.000 0.844 76 S CB 2.056 65.310 63.200 0.090 0.000 1.127 76 S HN 0.924 nan 8.310 nan 0.000 0.474 77 Y N 0.917 121.259 120.300 0.069 0.000 2.424 77 Y HA 0.258 4.807 4.550 -0.000 0.000 0.323 77 Y C -1.906 174.042 175.900 0.081 0.000 1.174 77 Y CA -0.767 57.376 58.100 0.070 0.000 1.060 77 Y CB 1.173 39.680 38.460 0.078 0.000 1.314 77 Y HN 0.622 nan 8.280 nan 0.000 0.439 78 D N 5.164 125.233 120.400 -0.551 0.000 2.325 78 D HA 0.376 5.016 4.640 -0.000 0.000 0.251 78 D C -1.054 174.981 176.300 -0.442 0.000 1.196 78 D CA 0.398 54.177 54.000 -0.369 0.000 0.866 78 D CB 2.016 42.638 40.800 -0.296 0.000 1.101 78 D HN 0.325 nan 8.370 nan 0.000 0.476 79 V N 2.790 122.663 119.914 -0.067 0.000 2.752 79 V HA 0.093 4.213 4.120 -0.000 0.000 0.302 79 V C -1.492 174.673 176.094 0.118 0.000 1.133 79 V CA -0.840 61.489 62.300 0.048 0.000 0.919 79 V CB 2.336 34.289 31.823 0.217 0.000 1.026 79 V HN 0.326 nan 8.190 nan 0.000 0.429 80 D N 5.538 125.971 120.400 0.055 0.000 2.393 80 D HA 0.289 4.929 4.640 -0.000 0.000 0.232 80 D C 1.216 177.510 176.300 -0.009 0.000 1.192 80 D CA -0.076 53.951 54.000 0.046 0.000 0.882 80 D CB 1.213 42.000 40.800 -0.022 0.000 1.038 80 D HN 0.603 nan 8.370 nan 0.000 0.499 81 L N 2.475 123.696 121.223 -0.003 0.000 2.353 81 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 81 L C 1.278 177.995 176.870 -0.255 0.000 1.133 81 L CA 0.619 55.409 54.840 -0.083 0.000 0.798 81 L CB -0.112 41.878 42.059 -0.115 0.000 0.922 81 L HN 0.313 nan 8.230 nan 0.000 0.445 82 D N 0.130 120.242 120.400 -0.479 0.000 2.218 82 D HA -0.144 4.496 4.640 -0.000 0.000 0.204 82 D C 1.532 177.447 176.300 -0.642 0.000 0.976 82 D CA 1.007 54.340 54.000 -1.112 0.000 0.853 82 D CB -0.229 40.035 40.800 -0.894 0.000 0.939 82 D HN 0.375 nan 8.370 nan 0.000 0.481 83 N N -0.163 118.364 118.700 -0.288 0.000 2.280 83 N HA 0.024 4.764 4.740 -0.000 0.000 0.192 83 N C 1.307 176.801 175.510 -0.026 0.000 1.109 83 N CA 0.097 53.071 53.050 -0.126 0.000 0.855 83 N CB 1.361 39.799 38.487 -0.081 0.000 0.974 83 N HN 0.126 nan 8.380 nan 0.000 0.482 84 V N 0.055 119.966 119.914 -0.006 0.000 2.911 84 V HA 0.244 4.364 4.120 -0.000 0.000 0.237 84 V C 0.809 176.976 176.094 0.122 0.000 1.156 84 V CA 0.423 62.761 62.300 0.064 0.000 1.180 84 V CB 0.529 32.394 31.823 0.070 0.000 0.932 84 V HN 0.018 nan 8.190 nan 0.000 0.483 85 L N 2.472 123.799 121.223 0.174 0.000 2.334 85 L HA 0.463 4.803 4.340 -0.000 0.000 0.275 85 L C -2.316 174.844 176.870 0.483 0.000 1.036 85 L CA -1.800 53.208 54.840 0.279 0.000 0.807 85 L CB 1.494 43.720 42.059 0.279 0.000 1.231 85 L HN 0.093 nan 8.230 nan 0.000 0.438 86 P HA 0.035 nan 4.420 nan 0.000 0.274 86 P C 0.160 177.547 177.300 0.145 0.000 1.246 86 P CA -0.318 62.963 63.100 0.302 0.000 0.795 86 P CB 0.997 32.803 31.700 0.176 0.000 1.006 87 E N 0.642 120.697 120.200 -0.242 0.000 2.097 87 E HA -0.176 4.174 4.350 -0.000 0.000 0.196 87 E C -0.305 175.975 176.600 -0.532 0.000 1.000 87 E CA 1.326 57.161 56.400 -0.942 0.000 0.804 87 E CB -0.037 29.192 29.700 -0.786 0.000 0.740 87 E HN 0.428 nan 8.360 nan 0.000 0.454 88 W N 0.144 121.336 121.300 -0.181 0.000 2.478 88 W HA 0.397 5.057 4.660 -0.000 0.000 0.318 88 W C -0.398 176.093 176.519 -0.047 0.000 1.062 88 W CA -0.805 56.479 57.345 -0.101 0.000 1.210 88 W CB 1.457 30.829 29.460 -0.147 0.000 1.325 88 W HN -0.154 nan 8.180 nan 0.000 0.496 89 V N 0.263 120.283 119.914 0.177 0.000 3.103 89 V HA 0.693 4.813 4.120 -0.000 0.000 0.311 89 V C -0.878 175.255 176.094 0.064 0.000 1.322 89 V CA -1.785 60.572 62.300 0.095 0.000 1.063 89 V CB 2.165 34.012 31.823 0.039 0.000 1.090 89 V HN 0.523 nan 8.190 nan 0.000 0.462 90 R N -0.068 120.422 120.500 -0.016 0.000 2.744 90 R HA 0.823 5.162 4.340 -0.000 0.000 0.279 90 R C -1.314 174.860 176.300 -0.211 0.000 0.977 90 R CA -0.535 55.528 56.100 -0.061 0.000 0.906 90 R CB 2.348 32.614 30.300 -0.056 0.000 1.197 90 R HN 1.006 nan 8.270 nan 0.000 0.463 91 V N -0.711 119.049 119.914 -0.257 0.000 2.667 91 V HA 1.022 5.141 4.120 -0.000 0.000 0.308 91 V C 0.037 175.895 176.094 -0.392 0.000 1.048 91 V CA -0.388 61.631 62.300 -0.469 0.000 0.928 91 V CB 1.618 33.154 31.823 -0.478 0.000 1.004 91 V HN 0.920 nan 8.190 nan 0.000 0.444 92 G N 2.140 110.371 108.800 -0.949 0.000 2.554 92 G HA2 0.635 4.595 3.960 -0.000 0.000 0.306 92 G HA3 0.635 4.595 3.960 -0.000 0.000 0.306 92 G C -1.967 172.383 174.900 -0.916 0.000 1.320 92 G CA -0.994 43.650 45.100 -0.760 0.000 0.800 92 G HN 0.852 nan 8.290 nan 0.000 0.481 93 L N 0.364 121.249 121.223 -0.564 0.000 2.362 93 L HA 0.782 5.122 4.340 -0.000 0.000 0.271 93 L C -0.048 176.793 176.870 -0.048 0.000 1.002 93 L CA -0.829 53.758 54.840 -0.422 0.000 0.818 93 L CB 2.257 43.848 42.059 -0.781 0.000 1.298 93 L HN 0.570 nan 8.230 nan 0.000 0.420 94 S N 1.225 116.907 115.700 -0.030 0.000 2.570 94 S HA 0.962 5.432 4.470 -0.000 0.000 0.286 94 S C -1.341 173.187 174.600 -0.119 0.000 1.099 94 S CA -0.229 57.919 58.200 -0.088 0.000 0.913 94 S CB 2.042 65.098 63.200 -0.239 0.000 1.085 94 S HN 0.786 nan 8.310 nan 0.000 0.480 95 A N 1.604 124.359 122.820 -0.108 0.000 2.608 95 A HA 0.861 5.181 4.320 -0.000 0.000 0.292 95 A C -0.819 176.731 177.584 -0.057 0.000 1.066 95 A CA -0.327 51.667 52.037 -0.071 0.000 0.676 95 A CB 1.187 20.150 19.000 -0.061 0.000 1.277 95 A HN 1.642 nan 8.150 nan 0.000 0.413 96 S N -0.548 115.136 115.700 -0.027 0.000 2.615 96 S HA 0.929 5.398 4.470 -0.000 0.000 0.269 96 S C -0.508 174.091 174.600 -0.001 0.000 1.161 96 S CA 0.073 58.259 58.200 -0.022 0.000 0.817 96 S CB 1.463 64.645 63.200 -0.029 0.000 1.131 96 S HN 2.244 nan 8.310 nan 0.000 0.467 97 T N -2.043 112.504 114.554 -0.012 0.000 2.883 97 T HA 0.907 5.257 4.350 -0.000 0.000 0.296 97 T C 0.340 175.015 174.700 -0.040 0.000 1.117 97 T CA -0.241 61.853 62.100 -0.010 0.000 1.006 97 T CB 1.263 70.129 68.868 -0.003 0.000 1.191 97 T HN 1.332 nan 8.240 nan 0.000 0.508 98 G N -0.019 108.739 108.800 -0.070 0.000 3.359 98 G HA2 0.469 4.428 3.960 -0.000 0.000 0.187 98 G HA3 0.469 4.428 3.960 -0.000 0.000 0.187 98 G C 0.548 175.346 174.900 -0.170 0.000 1.294 98 G CA -0.063 44.968 45.100 -0.117 0.000 0.769 98 G HN 0.820 nan 8.290 nan 0.000 0.733 99 L N -0.483 120.566 121.223 -0.290 0.000 2.046 99 L HA 0.291 4.631 4.340 -0.000 0.000 0.208 99 L C 0.522 177.110 176.870 -0.469 0.000 1.077 99 L CA 0.985 55.563 54.840 -0.437 0.000 0.747 99 L CB -0.707 40.953 42.059 -0.664 0.000 0.896 99 L HN 0.320 nan 8.230 nan 0.000 0.432 100 Y N 0.910 121.109 120.300 -0.168 0.000 2.432 100 Y HA 0.528 5.077 4.550 -0.000 0.000 0.322 100 Y C 0.522 176.374 175.900 -0.081 0.000 1.246 100 Y CA -1.077 56.950 58.100 -0.121 0.000 1.268 100 Y CB 0.659 39.028 38.460 -0.153 0.000 1.276 100 Y HN 0.030 nan 8.280 nan 0.000 0.499 101 K N 0.576 121.062 120.400 0.144 0.000 2.263 101 K HA 0.749 5.069 4.320 -0.000 0.000 0.249 101 K C -1.410 175.248 176.600 0.096 0.000 1.076 101 K CA -0.921 55.416 56.287 0.084 0.000 0.884 101 K CB 2.828 35.358 32.500 0.050 0.000 1.394 101 K HN 0.857 nan 8.250 nan 0.000 0.476 102 E N -0.801 119.447 120.200 0.080 0.000 2.389 102 E HA 0.154 4.504 4.350 -0.000 0.000 0.281 102 E C -1.432 175.216 176.600 0.081 0.000 1.111 102 E CA -0.875 55.579 56.400 0.090 0.000 0.869 102 E CB 0.803 30.570 29.700 0.111 0.000 1.259 102 E HN 0.661 nan 8.360 nan 0.000 0.434 103 T N -0.299 114.310 114.554 0.091 0.000 2.889 103 T HA 0.451 4.801 4.350 -0.000 0.000 0.291 103 T C -0.166 174.600 174.700 0.110 0.000 0.995 103 T CA -0.695 61.455 62.100 0.085 0.000 1.092 103 T CB 0.354 69.274 68.868 0.087 0.000 0.954 103 T HN 0.499 nan 8.240 nan 0.000 0.506 104 N N 1.349 120.099 118.700 0.083 0.000 2.818 104 N HA 0.247 4.987 4.740 -0.000 0.000 0.301 104 N C -0.923 174.633 175.510 0.076 0.000 1.821 104 N CA -0.533 52.571 53.050 0.090 0.000 0.930 104 N CB 0.845 39.354 38.487 0.036 0.000 1.263 104 N HN 0.599 nan 8.380 nan 0.000 0.487 105 T N 1.238 115.867 114.554 0.124 0.000 2.794 105 T HA 0.241 4.591 4.350 -0.000 0.000 0.296 105 T C 0.261 175.061 174.700 0.167 0.000 0.949 105 T CA -0.049 62.116 62.100 0.109 0.000 1.101 105 T CB 0.923 69.864 68.868 0.122 0.000 0.905 105 T HN 0.108 nan 8.240 nan 0.000 0.516 106 I N 4.618 125.243 120.570 0.092 0.000 2.339 106 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 106 I C 0.448 176.723 176.117 0.263 0.000 0.994 106 I CA -0.646 60.758 61.300 0.173 0.000 1.191 106 I CB 1.371 39.370 38.000 -0.001 0.000 1.343 106 I HN 0.545 nan 8.210 nan 0.000 0.458 107 L N 4.665 126.102 121.223 0.357 0.000 2.477 107 L HA 0.120 4.459 4.340 -0.000 0.000 0.220 107 L C 0.772 177.932 176.870 0.484 0.000 1.106 107 L CA 0.603 55.668 54.840 0.375 0.000 0.851 107 L CB -0.234 41.972 42.059 0.245 0.000 0.994 107 L HN 0.781 nan 8.230 nan 0.000 0.462 108 S N -2.781 113.257 115.700 0.564 0.000 2.565 108 S HA 0.538 5.008 4.470 -0.000 0.000 0.274 108 S C -2.065 172.981 174.600 0.743 0.000 1.144 108 S CA -0.812 57.711 58.200 0.538 0.000 0.849 108 S CB 1.497 64.894 63.200 0.329 0.000 1.103 108 S HN 0.088 nan 8.310 nan 0.000 0.455 109 W N 2.417 124.018 121.300 0.501 0.000 3.624 109 W HA 0.698 5.358 4.660 -0.000 0.000 0.312 109 W C -1.447 175.327 176.519 0.424 0.000 1.203 109 W CA -0.073 57.604 57.345 0.553 0.000 1.225 109 W CB 1.476 31.364 29.460 0.714 0.000 1.321 109 W HN 1.424 nan 8.180 nan 0.000 0.506 110 S N 4.498 120.333 115.700 0.225 0.000 2.588 110 S HA 0.896 5.366 4.470 -0.000 0.000 0.275 110 S C -1.685 172.684 174.600 -0.386 0.000 1.130 110 S CA -0.674 57.364 58.200 -0.270 0.000 0.855 110 S CB 2.733 65.889 63.200 -0.074 0.000 1.116 110 S HN 0.789 nan 8.310 nan 0.000 0.472 111 F N 0.450 119.769 119.950 -1.051 0.000 2.628 111 F HA 0.683 5.210 4.527 -0.000 0.000 0.309 111 F C -1.440 174.041 175.800 -0.532 0.000 1.108 111 F CA 0.004 57.530 58.000 -0.790 0.000 0.971 111 F CB 2.101 40.404 39.000 -1.161 0.000 1.279 111 F HN 0.774 nan 8.300 nan 0.000 0.441 112 T N 3.414 117.394 114.554 -0.956 0.000 2.921 112 T HA 0.525 4.874 4.350 -0.000 0.000 0.297 112 T C -1.469 172.811 174.700 -0.701 0.000 1.013 112 T CA -0.776 61.007 62.100 -0.528 0.000 0.990 112 T CB 1.571 70.296 68.868 -0.239 0.000 1.023 112 T HN 0.601 nan 8.240 nan 0.000 0.447 113 S N 2.612 118.111 115.700 -0.334 0.000 2.557 113 S HA 0.702 5.171 4.470 -0.000 0.000 0.291 113 S C -1.285 173.314 174.600 -0.002 0.000 1.116 113 S CA -0.762 57.377 58.200 -0.101 0.000 0.992 113 S CB 0.743 64.035 63.200 0.153 0.000 1.028 113 S HN 0.590 nan 8.310 nan 0.000 0.484 114 K N 3.355 123.764 120.400 0.014 0.000 2.427 114 K HA 0.607 4.927 4.320 -0.000 0.000 0.252 114 K C -1.555 175.055 176.600 0.016 0.000 0.931 114 K CA -0.645 55.647 56.287 0.009 0.000 0.793 114 K CB 1.896 34.387 32.500 -0.015 0.000 1.211 114 K HN 0.553 nan 8.250 nan 0.000 0.426 115 L N 2.935 124.158 121.223 0.001 0.000 2.404 115 L HA 0.419 4.758 4.340 -0.000 0.000 0.272 115 L C -0.939 175.927 176.870 -0.006 0.000 0.980 115 L CA -0.662 54.165 54.840 -0.022 0.000 0.836 115 L CB 1.857 43.858 42.059 -0.096 0.000 1.238 115 L HN 0.474 nan 8.230 nan 0.000 0.408 116 K N 2.510 122.910 120.400 0.000 0.000 2.339 116 K HA 0.469 4.789 4.320 -0.000 0.000 0.264 116 K C -0.596 176.011 176.600 0.012 0.000 0.986 116 K CA -0.170 56.124 56.287 0.012 0.000 0.866 116 K CB 1.872 34.376 32.500 0.006 0.000 1.103 116 K HN 0.512 nan 8.250 nan 0.000 0.441 117 S N 2.494 118.206 115.700 0.020 0.000 2.719 117 S HA 0.225 4.695 4.470 -0.000 0.000 0.285 117 S C -0.042 174.573 174.600 0.026 0.000 1.137 117 S CA -0.757 57.456 58.200 0.023 0.000 1.012 117 S CB 0.558 63.775 63.200 0.028 0.000 1.134 117 S HN 0.746 nan 8.310 nan 0.000 0.544 118 N N 1.054 119.770 118.700 0.028 0.000 3.193 118 N HA 0.258 4.998 4.740 -0.000 0.000 0.312 118 N C -1.234 174.292 175.510 0.027 0.000 1.261 118 N CA -0.027 53.038 53.050 0.025 0.000 1.208 118 N CB 0.168 38.670 38.487 0.026 0.000 1.471 118 N HN 0.202 nan 8.380 nan 0.000 0.548 119 S N -1.181 114.537 115.700 0.030 0.000 2.588 119 S HA 0.257 4.726 4.470 -0.000 0.000 0.269 119 S C -0.666 173.961 174.600 0.044 0.000 1.157 119 S CA -1.091 57.130 58.200 0.035 0.000 0.824 119 S CB 1.188 64.411 63.200 0.038 0.000 1.126 119 S HN 0.347 nan 8.310 nan 0.000 0.464 120 T N 1.505 116.089 114.554 0.050 0.000 2.754 120 T HA 0.266 4.616 4.350 -0.000 0.000 0.282 120 T C 0.511 175.295 174.700 0.141 0.000 0.923 120 T CA 0.277 62.418 62.100 0.069 0.000 1.164 120 T CB -0.274 68.627 68.868 0.056 0.000 0.873 120 T HN 0.842 nan 8.240 nan 0.000 0.537 121 H N 0.998 120.067 119.070 -0.001 0.000 3.141 121 H HA -0.182 4.374 4.556 -0.000 0.000 0.260 121 H C 0.144 175.473 175.328 0.002 0.000 1.132 121 H CA 1.318 57.364 56.048 -0.002 0.000 1.171 121 H CB -1.477 28.284 29.762 -0.003 0.000 1.274 121 H HN 0.888 nan 8.280 nan 0.000 0.329 122 E N 1.520 121.801 120.200 0.136 0.000 1.999 122 E HA 0.087 4.437 4.350 -0.000 0.000 0.296 122 E C -0.085 176.559 176.600 0.073 0.000 1.187 122 E CA 0.200 56.641 56.400 0.069 0.000 1.229 122 E CB 0.101 29.830 29.700 0.048 0.000 1.131 122 E HN 0.278 nan 8.360 nan 0.000 0.478 123 T N 1.901 116.512 114.554 0.096 0.000 2.799 123 T HA 0.259 4.609 4.350 -0.000 0.000 0.286 123 T C -0.004 174.726 174.700 0.051 0.000 0.973 123 T CA -0.723 61.425 62.100 0.080 0.000 1.035 123 T CB 0.760 69.704 68.868 0.127 0.000 0.932 123 T HN 0.135 nan 8.240 nan 0.000 0.469 124 N N 1.493 120.218 118.700 0.041 0.000 2.430 124 N HA 0.756 5.496 4.740 -0.000 0.000 0.292 124 N C -0.854 174.685 175.510 0.049 0.000 1.051 124 N CA -0.446 52.634 53.050 0.050 0.000 0.917 124 N CB 1.627 40.150 38.487 0.060 0.000 1.164 124 N HN 0.839 nan 8.380 nan 0.000 0.484 125 A N 1.024 123.883 122.820 0.065 0.000 2.587 125 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 125 A C -1.886 175.760 177.584 0.103 0.000 1.087 125 A CA -0.505 51.571 52.037 0.065 0.000 0.692 125 A CB 1.199 20.221 19.000 0.037 0.000 1.291 125 A HN 0.538 nan 8.150 nan 0.000 0.407 126 L N 1.058 122.352 121.223 0.119 0.000 2.455 126 L HA 0.864 5.203 4.340 -0.000 0.000 0.264 126 L C -1.186 175.774 176.870 0.149 0.000 0.968 126 L CA -0.051 54.892 54.840 0.171 0.000 0.827 126 L CB 2.120 44.331 42.059 0.253 0.000 1.317 126 L HN 1.033 nan 8.230 nan 0.000 0.407 127 H N 3.998 123.066 119.070 -0.003 0.000 3.029 127 H HA 0.704 5.260 4.556 -0.000 0.000 0.358 127 H C -1.965 173.284 175.328 -0.131 0.000 1.129 127 H CA -0.617 55.348 56.048 -0.139 0.000 1.230 127 H CB 1.393 31.069 29.762 -0.143 0.000 1.827 127 H HN 0.559 nan 8.280 nan 0.000 0.530 128 F N 3.305 122.653 119.950 -1.004 0.000 2.601 128 F HA 0.631 5.158 4.527 -0.000 0.000 0.309 128 F C -1.695 173.409 175.800 -1.160 0.000 1.089 128 F CA -1.324 56.026 58.000 -1.083 0.000 0.940 128 F CB 1.824 40.115 39.000 -1.181 0.000 1.273 128 F HN 0.619 nan 8.300 nan 0.000 0.450 129 M N 4.307 123.448 119.600 -0.765 0.000 2.238 129 M HA 0.603 5.083 4.480 -0.000 0.000 0.278 129 M C -2.569 173.443 176.300 -0.480 0.000 1.040 129 M CA -0.277 54.713 55.300 -0.517 0.000 0.969 129 M CB 1.510 33.940 32.600 -0.282 0.000 1.694 129 M HN 0.654 nan 8.290 nan 0.000 0.472 130 F N 3.971 123.884 119.950 -0.062 0.000 2.402 130 F HA 0.469 4.996 4.527 -0.000 0.000 0.355 130 F C 0.764 176.435 175.800 -0.215 0.000 1.123 130 F CA -0.562 57.293 58.000 -0.242 0.000 1.021 130 F CB 1.133 39.834 39.000 -0.498 0.000 1.160 130 F HN 0.625 nan 8.300 nan 0.000 0.451 131 N N 1.735 120.422 118.700 -0.021 0.000 2.171 131 N HA 0.028 4.768 4.740 -0.000 0.000 0.212 131 N C -0.519 174.990 175.510 -0.000 0.000 1.184 131 N CA 0.223 53.290 53.050 0.028 0.000 0.888 131 N CB 0.868 39.380 38.487 0.041 0.000 1.038 131 N HN 0.713 nan 8.380 nan 0.000 0.517 132 Q N -0.288 119.438 119.800 -0.122 0.000 2.352 132 Q HA 0.376 4.715 4.340 -0.000 0.000 0.270 132 Q C -1.983 173.894 176.000 -0.204 0.000 1.006 132 Q CA -0.478 55.297 55.803 -0.048 0.000 0.880 132 Q CB 1.199 29.952 28.738 0.026 0.000 1.392 132 Q HN -0.130 nan 8.270 nan 0.000 0.401 133 F N 1.425 121.441 119.950 0.110 0.000 2.495 133 F HA 0.627 5.153 4.527 -0.000 0.000 0.327 133 F C 0.300 176.127 175.800 0.046 0.000 1.103 133 F CA -0.490 57.544 58.000 0.056 0.000 0.949 133 F CB 2.293 41.300 39.000 0.012 0.000 1.142 133 F HN 0.611 nan 8.300 nan 0.000 0.457 134 S N 1.613 117.429 115.700 0.192 0.000 2.690 134 S HA 0.378 4.848 4.470 -0.000 0.000 0.291 134 S C 0.944 175.603 174.600 0.099 0.000 1.138 134 S CA -0.891 57.381 58.200 0.120 0.000 1.013 134 S CB 1.819 65.069 63.200 0.082 0.000 1.053 134 S HN 0.770 nan 8.310 nan 0.000 0.539 135 K N -0.122 120.318 120.400 0.067 0.000 2.113 135 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 135 K C -0.200 176.418 176.600 0.031 0.000 1.047 135 K CA 1.777 58.091 56.287 0.044 0.000 0.928 135 K CB -0.154 32.366 32.500 0.033 0.000 0.716 135 K HN 0.726 nan 8.250 nan 0.000 0.446 136 D N 0.460 120.879 120.400 0.031 0.000 2.432 136 D HA 0.053 4.693 4.640 -0.000 0.000 0.265 136 D C -1.406 174.906 176.300 0.020 0.000 1.160 136 D CA -0.330 53.679 54.000 0.015 0.000 0.911 136 D CB 0.971 41.774 40.800 0.005 0.000 1.052 136 D HN -0.111 nan 8.370 nan 0.000 0.508 137 Q N 2.711 122.526 119.800 0.026 0.000 2.835 137 Q HA 0.184 4.524 4.340 -0.000 0.000 0.235 137 Q C 0.775 176.769 176.000 -0.010 0.000 1.313 137 Q CA -0.057 55.766 55.803 0.033 0.000 1.053 137 Q CB 0.362 29.134 28.738 0.057 0.000 1.443 137 Q HN 0.281 nan 8.270 nan 0.000 0.576 138 K N 0.681 121.056 120.400 -0.041 0.000 2.442 138 K HA -0.154 4.165 4.320 -0.000 0.000 0.199 138 K C 0.196 176.664 176.600 -0.220 0.000 1.044 138 K CA 1.333 57.546 56.287 -0.123 0.000 0.941 138 K CB 0.292 32.705 32.500 -0.145 0.000 0.759 138 K HN 0.575 nan 8.250 nan 0.000 0.472 139 D N -0.252 120.073 120.400 -0.126 0.000 2.340 139 D HA 0.021 4.661 4.640 -0.000 0.000 0.217 139 D C 0.209 176.434 176.300 -0.126 0.000 1.081 139 D CA 0.102 53.987 54.000 -0.192 0.000 0.842 139 D CB 0.069 40.840 40.800 -0.047 0.000 0.934 139 D HN 0.038 nan 8.370 nan 0.000 0.511 140 L N 0.629 121.837 121.223 -0.025 0.000 2.365 140 L HA 0.466 4.806 4.340 -0.000 0.000 0.273 140 L C -0.348 176.556 176.870 0.057 0.000 1.000 140 L CA -1.009 53.843 54.840 0.020 0.000 0.819 140 L CB 2.604 44.663 42.059 -0.000 0.000 1.284 140 L HN -0.188 nan 8.230 nan 0.000 0.418 141 I N 4.488 125.090 120.570 0.053 0.000 2.306 141 I HA 0.272 4.442 4.170 -0.000 0.000 0.288 141 I C -0.335 175.788 176.117 0.010 0.000 1.036 141 I CA -0.326 60.995 61.300 0.034 0.000 1.221 141 I CB 0.951 38.935 38.000 -0.026 0.000 1.385 141 I HN 0.328 nan 8.210 nan 0.000 0.472 142 L N 7.262 128.484 121.223 -0.001 0.000 2.292 142 L HA 0.416 4.756 4.340 -0.000 0.000 0.284 142 L C -0.113 176.743 176.870 -0.024 0.000 1.065 142 L CA -0.374 54.453 54.840 -0.021 0.000 0.806 142 L CB 0.873 42.913 42.059 -0.032 0.000 1.175 142 L HN 0.580 nan 8.230 nan 0.000 0.431 143 Q N 1.403 121.184 119.800 -0.031 0.000 2.387 143 Q HA 0.631 4.971 4.340 -0.000 0.000 0.273 143 Q C 0.465 176.437 176.000 -0.047 0.000 1.089 143 Q CA -0.215 55.566 55.803 -0.037 0.000 0.824 143 Q CB 2.459 31.175 28.738 -0.037 0.000 1.367 143 Q HN 0.808 nan 8.270 nan 0.000 0.443 144 G N 1.792 110.564 108.800 -0.047 0.000 2.556 144 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.283 144 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.283 144 G C -0.192 174.681 174.900 -0.044 0.000 1.177 144 G CA 0.327 45.398 45.100 -0.049 0.000 0.978 144 G HN 0.754 nan 8.290 nan 0.000 0.554 145 D N 1.950 122.322 120.400 -0.046 0.000 2.325 145 D HA 0.451 5.091 4.640 -0.000 0.000 0.225 145 D C 1.272 177.544 176.300 -0.047 0.000 1.096 145 D CA 0.801 54.777 54.000 -0.041 0.000 0.844 145 D CB -0.126 40.652 40.800 -0.037 0.000 0.925 145 D HN 0.864 nan 8.370 nan 0.000 0.513 146 A N 1.226 124.012 122.820 -0.057 0.000 2.488 146 A HA 0.442 4.762 4.320 -0.000 0.000 0.249 146 A C 0.764 178.308 177.584 -0.068 0.000 1.083 146 A CA 0.070 52.063 52.037 -0.073 0.000 0.768 146 A CB 0.040 18.989 19.000 -0.084 0.000 1.017 146 A HN 0.163 nan 8.150 nan 0.000 0.496 147 T N -0.441 114.067 114.554 -0.077 0.000 2.900 147 T HA 0.787 5.137 4.350 -0.000 0.000 0.303 147 T C -0.250 174.399 174.700 -0.085 0.000 1.142 147 T CA -0.063 61.999 62.100 -0.063 0.000 1.007 147 T CB 1.559 70.404 68.868 -0.038 0.000 1.156 147 T HN 1.182 nan 8.240 nan 0.000 0.490 148 T N -2.278 112.242 114.554 -0.057 0.000 2.910 148 T HA 0.795 5.145 4.350 -0.000 0.000 0.287 148 T C 1.135 175.847 174.700 0.020 0.000 1.050 148 T CA -0.081 61.995 62.100 -0.041 0.000 1.011 148 T CB 1.173 70.037 68.868 -0.007 0.000 1.195 148 T HN 2.098 nan 8.240 nan 0.000 0.540 149 G N 0.428 109.270 108.800 0.069 0.000 2.279 149 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.223 149 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.223 149 G C 0.370 175.309 174.900 0.065 0.000 1.015 149 G CA 0.010 45.153 45.100 0.072 0.000 0.621 149 G HN 1.173 nan 8.290 nan 0.000 0.506 150 T N 2.817 117.400 114.554 0.049 0.000 2.891 150 T HA 0.414 4.764 4.350 -0.000 0.000 0.258 150 T C 0.566 175.307 174.700 0.067 0.000 0.942 150 T CA 0.876 63.004 62.100 0.046 0.000 1.200 150 T CB 0.095 68.981 68.868 0.030 0.000 0.922 150 T HN 0.498 nan 8.240 nan 0.000 0.585 151 D N 2.097 122.538 120.400 0.069 0.000 3.076 151 D HA -0.193 4.446 4.640 -0.000 0.000 0.218 151 D C 1.229 177.593 176.300 0.107 0.000 1.156 151 D CA 1.576 55.623 54.000 0.078 0.000 0.921 151 D CB -1.438 39.407 40.800 0.074 0.000 1.113 151 D HN 1.069 nan 8.370 nan 0.000 0.418 152 G N -0.668 108.207 108.800 0.126 0.000 2.136 152 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.242 152 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.242 152 G C 0.150 175.222 174.900 0.287 0.000 0.989 152 G CA 0.376 45.583 45.100 0.180 0.000 0.682 152 G HN 0.434 nan 8.290 nan 0.000 0.522 153 N N -0.741 118.091 118.700 0.220 0.000 2.471 153 N HA 0.701 5.441 4.740 -0.000 0.000 0.288 153 N C -0.668 174.837 175.510 -0.008 0.000 1.220 153 N CA -0.661 52.514 53.050 0.210 0.000 0.893 153 N CB 1.684 40.251 38.487 0.133 0.000 1.256 153 N HN 0.304 nan 8.380 nan 0.000 0.534 154 L N 1.164 122.228 121.223 -0.265 0.000 2.294 154 L HA 0.353 4.692 4.340 -0.000 0.000 0.283 154 L C -0.601 176.135 176.870 -0.223 0.000 1.015 154 L CA -0.271 54.283 54.840 -0.476 0.000 0.831 154 L CB 0.588 42.004 42.059 -1.072 0.000 1.217 154 L HN 0.281 nan 8.230 nan 0.000 0.420 155 E N 6.026 126.141 120.200 -0.142 0.000 2.046 155 E HA 0.168 4.518 4.350 -0.000 0.000 0.279 155 E C 0.867 177.411 176.600 -0.093 0.000 0.989 155 E CA -0.116 56.238 56.400 -0.077 0.000 0.798 155 E CB 1.471 31.148 29.700 -0.038 0.000 1.086 155 E HN 0.775 nan 8.360 nan 0.000 0.399 156 L N 1.531 122.698 121.223 -0.093 0.000 2.093 156 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 156 L C 1.319 178.150 176.870 -0.066 0.000 1.085 156 L CA 1.196 55.977 54.840 -0.098 0.000 0.755 156 L CB -0.208 41.787 42.059 -0.108 0.000 0.904 156 L HN 0.389 nan 8.230 nan 0.000 0.435 157 T N -2.969 111.560 114.554 -0.041 0.000 2.912 157 T HA 0.425 4.774 4.350 -0.000 0.000 0.288 157 T C -0.200 174.488 174.700 -0.020 0.000 1.030 157 T CA -0.927 61.156 62.100 -0.029 0.000 1.020 157 T CB 2.229 71.087 68.868 -0.017 0.000 1.056 157 T HN -0.070 nan 8.240 nan 0.000 0.480 158 R N 0.817 121.306 120.500 -0.019 0.000 2.502 158 R HA 0.406 4.746 4.340 -0.000 0.000 0.292 158 R C -1.055 175.243 176.300 -0.003 0.000 0.998 158 R CA 0.149 56.241 56.100 -0.013 0.000 1.056 158 R CB -0.241 30.049 30.300 -0.016 0.000 0.939 158 R HN 0.573 nan 8.270 nan 0.000 0.411 159 V N 4.906 124.821 119.914 0.001 0.000 2.588 159 V HA 0.253 4.373 4.120 -0.000 0.000 0.304 159 V C -0.120 175.979 176.094 0.008 0.000 1.042 159 V CA -0.651 61.655 62.300 0.010 0.000 0.877 159 V CB 1.907 33.740 31.823 0.016 0.000 0.996 159 V HN 1.069 nan 8.190 nan 0.000 0.425 160 S N 3.308 119.014 115.700 0.010 0.000 2.596 160 S HA 0.087 4.557 4.470 -0.000 0.000 0.260 160 S C 1.522 176.129 174.600 0.011 0.000 1.336 160 S CA 0.199 58.404 58.200 0.008 0.000 0.993 160 S CB 0.910 64.115 63.200 0.008 0.000 0.923 160 S HN 1.008 nan 8.310 nan 0.000 0.567 161 S N 1.458 117.164 115.700 0.009 0.000 2.400 161 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 161 S C 1.342 175.951 174.600 0.014 0.000 1.025 161 S CA 1.397 59.603 58.200 0.011 0.000 0.993 161 S CB -1.191 62.014 63.200 0.009 0.000 0.808 161 S HN 0.969 nan 8.310 nan 0.000 0.478 162 N N 0.978 119.687 118.700 0.015 0.000 2.412 162 N HA 0.334 5.074 4.740 -0.000 0.000 0.184 162 N C 1.222 176.745 175.510 0.021 0.000 1.101 162 N CA 0.712 53.772 53.050 0.017 0.000 0.881 162 N CB -0.228 38.268 38.487 0.015 0.000 0.969 162 N HN 0.536 nan 8.380 nan 0.000 0.459 163 G N -0.566 108.247 108.800 0.022 0.000 2.213 163 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 163 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 163 G C 0.068 174.985 174.900 0.029 0.000 0.992 163 G CA 0.113 45.229 45.100 0.027 0.000 0.632 163 G HN 0.781 nan 8.290 nan 0.000 0.511 164 S N 2.025 117.741 115.700 0.026 0.000 2.549 164 S HA 0.613 5.083 4.470 -0.000 0.000 0.279 164 S C -1.718 172.898 174.600 0.027 0.000 1.321 164 S CA -0.729 57.488 58.200 0.028 0.000 1.054 164 S CB 1.969 65.184 63.200 0.025 0.000 0.899 164 S HN 0.426 nan 8.310 nan 0.000 0.497 165 P HA 0.167 nan 4.420 nan 0.000 0.272 165 P C -0.907 176.406 177.300 0.022 0.000 1.223 165 P CA -0.303 62.815 63.100 0.031 0.000 0.784 165 P CB 0.525 32.252 31.700 0.044 0.000 0.923 166 Q N 0.625 120.432 119.800 0.012 0.000 2.266 166 Q HA 0.523 4.862 4.340 -0.000 0.000 0.261 166 Q C 0.632 176.628 176.000 -0.006 0.000 0.985 166 Q CA -0.584 55.219 55.803 0.000 0.000 0.873 166 Q CB 1.983 30.716 28.738 -0.007 0.000 1.306 166 Q HN 0.555 nan 8.270 nan 0.000 0.447 167 G N -0.130 108.658 108.800 -0.020 0.000 2.557 167 G HA2 0.290 4.250 3.960 -0.000 0.000 0.292 167 G HA3 0.290 4.250 3.960 -0.000 0.000 0.292 167 G C -0.311 174.563 174.900 -0.043 0.000 1.237 167 G CA -0.459 44.619 45.100 -0.037 0.000 0.978 167 G HN 0.610 nan 8.290 nan 0.000 0.498 168 S N -1.595 114.072 115.700 -0.056 0.000 3.524 168 S HA -0.145 4.325 4.470 -0.000 0.000 0.377 168 S C 0.235 174.811 174.600 -0.041 0.000 0.949 168 S CA 1.019 59.188 58.200 -0.052 0.000 1.264 168 S CB -1.309 61.858 63.200 -0.054 0.000 0.918 168 S HN 1.089 nan 8.310 nan 0.000 0.517 169 S N 0.243 115.921 115.700 -0.037 0.000 2.536 169 S HA 0.818 5.288 4.470 -0.000 0.000 0.287 169 S C -0.522 174.054 174.600 -0.040 0.000 1.101 169 S CA -0.331 57.848 58.200 -0.035 0.000 0.950 169 S CB 1.544 64.728 63.200 -0.027 0.000 1.056 169 S HN 0.732 nan 8.310 nan 0.000 0.481 170 V N 1.259 121.145 119.914 -0.048 0.000 2.841 170 V HA 1.015 5.135 4.120 -0.000 0.000 0.310 170 V C 0.241 176.296 176.094 -0.066 0.000 1.090 170 V CA -0.532 61.731 62.300 -0.061 0.000 0.930 170 V CB 1.236 33.016 31.823 -0.072 0.000 1.014 170 V HN 1.127 nan 8.190 nan 0.000 0.425 171 G N 2.476 111.230 108.800 -0.077 0.000 2.720 171 G HA2 0.805 4.764 3.960 -0.000 0.000 0.295 171 G HA3 0.805 4.764 3.960 -0.000 0.000 0.295 171 G C -1.535 173.313 174.900 -0.087 0.000 1.437 171 G CA -0.958 44.096 45.100 -0.077 0.000 0.886 171 G HN 0.740 nan 8.290 nan 0.000 0.509 172 R N -0.779 119.679 120.500 -0.069 0.000 2.739 172 R HA 0.808 5.148 4.340 -0.000 0.000 0.271 172 R C -1.150 175.132 176.300 -0.031 0.000 1.010 172 R CA -0.835 55.245 56.100 -0.033 0.000 0.897 172 R CB 2.626 32.935 30.300 0.015 0.000 1.236 172 R HN 0.966 nan 8.270 nan 0.000 0.466 173 A N 2.067 124.871 122.820 -0.026 0.000 2.402 173 A HA 0.647 4.966 4.320 -0.000 0.000 0.291 173 A C -1.651 175.962 177.584 0.049 0.000 1.051 173 A CA -0.560 51.470 52.037 -0.012 0.000 0.716 173 A CB 0.829 19.788 19.000 -0.067 0.000 1.223 173 A HN 0.354 nan 8.150 nan 0.000 0.425 174 L N 1.962 123.237 121.223 0.087 0.000 2.346 174 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 174 L C -0.185 176.781 176.870 0.160 0.000 1.007 174 L CA -0.438 54.461 54.840 0.099 0.000 0.818 174 L CB 1.300 43.359 42.059 0.001 0.000 1.284 174 L HN 0.678 nan 8.230 nan 0.000 0.424 175 F N 1.004 120.972 119.950 0.029 0.000 2.529 175 F HA 0.046 4.573 4.527 -0.000 0.000 0.365 175 F C 1.160 176.922 175.800 -0.063 0.000 1.102 175 F CA 0.074 57.987 58.000 -0.144 0.000 1.271 175 F CB 0.445 39.173 39.000 -0.453 0.000 1.120 175 F HN 0.503 nan 8.300 nan 0.000 0.579 176 Y N 4.443 124.253 120.300 -0.816 0.000 2.114 176 Y HA -0.071 4.479 4.550 -0.000 0.000 0.282 176 Y C 1.298 176.934 175.900 -0.441 0.000 1.165 176 Y CA 1.640 59.394 58.100 -0.576 0.000 1.148 176 Y CB -0.544 37.564 38.460 -0.586 0.000 0.972 176 Y HN 0.589 nan 8.280 nan 0.000 0.504 177 A N 0.835 123.389 122.820 -0.443 0.000 2.354 177 A HA 0.378 4.698 4.320 -0.000 0.000 0.269 177 A C -2.447 175.212 177.584 0.125 0.000 1.109 177 A CA -1.395 50.619 52.037 -0.039 0.000 0.800 177 A CB -0.317 18.783 19.000 0.167 0.000 1.045 177 A HN 0.171 nan 8.150 nan 0.000 0.489 178 P HA 0.312 nan 4.420 nan 0.000 0.271 178 P C -0.852 176.709 177.300 0.435 0.000 1.218 178 P CA -0.099 63.135 63.100 0.223 0.000 0.780 178 P CB 0.862 32.653 31.700 0.151 0.000 0.901 179 V N 2.609 122.740 119.914 0.362 0.000 2.459 179 V HA 0.191 4.311 4.120 -0.000 0.000 0.295 179 V C 0.182 176.286 176.094 0.016 0.000 1.029 179 V CA -0.478 61.974 62.300 0.255 0.000 0.874 179 V CB 1.143 33.065 31.823 0.164 0.000 0.985 179 V HN 0.586 nan 8.190 nan 0.000 0.438 180 H N 3.842 122.606 119.070 -0.511 0.000 3.014 180 H HA 0.234 4.790 4.556 -0.000 0.000 0.266 180 H C 0.950 175.994 175.328 -0.474 0.000 1.455 180 H CA -0.559 54.806 56.048 -1.138 0.000 1.402 180 H CB 0.752 29.695 29.762 -1.366 0.000 1.626 180 H HN 0.662 nan 8.280 nan 0.000 0.520 181 I N 5.515 125.970 120.570 -0.192 0.000 2.614 181 I HA -0.122 4.048 4.170 -0.000 0.000 0.258 181 I C 0.146 176.337 176.117 0.122 0.000 1.189 181 I CA 0.787 62.099 61.300 0.020 0.000 1.462 181 I CB -0.035 38.038 38.000 0.122 0.000 1.092 181 I HN 0.570 nan 8.210 nan 0.000 0.442 182 W N -0.957 120.254 121.300 -0.148 0.000 2.989 182 W HA 0.566 5.226 4.660 -0.000 0.000 0.344 182 W C -1.268 175.105 176.519 -0.242 0.000 1.233 182 W CA -0.787 56.481 57.345 -0.129 0.000 1.187 182 W CB 0.661 30.126 29.460 0.009 0.000 1.443 182 W HN -0.203 nan 8.180 nan 0.000 0.573 183 E N 0.576 120.932 120.200 0.260 0.000 2.354 183 E HA 0.202 4.552 4.350 -0.000 0.000 0.283 183 E C 0.636 177.452 176.600 0.360 0.000 0.938 183 E CA 0.120 56.595 56.400 0.126 0.000 0.777 183 E CB 2.415 32.011 29.700 -0.173 0.000 1.222 183 E HN 0.456 nan 8.360 nan 0.000 0.423 184 S N 1.338 117.281 115.700 0.406 0.000 2.419 184 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 184 S C 1.267 175.958 174.600 0.152 0.000 1.019 184 S CA 1.422 59.791 58.200 0.282 0.000 0.982 184 S CB -0.060 63.295 63.200 0.259 0.000 0.789 184 S HN 0.306 nan 8.310 nan 0.000 0.490 185 S N 1.465 117.237 115.700 0.120 0.000 2.634 185 S HA 0.568 5.038 4.470 -0.000 0.000 0.221 185 S C 0.551 175.184 174.600 0.055 0.000 0.952 185 S CA 0.081 58.326 58.200 0.076 0.000 0.930 185 S CB -0.015 63.224 63.200 0.066 0.000 0.780 185 S HN 0.735 nan 8.310 nan 0.000 0.498 186 A N 1.044 123.901 122.820 0.062 0.000 2.309 186 A HA 0.506 4.826 4.320 -0.000 0.000 0.290 186 A C 1.218 178.821 177.584 0.032 0.000 1.206 186 A CA -0.464 51.595 52.037 0.038 0.000 0.850 186 A CB 0.332 19.353 19.000 0.034 0.000 1.118 186 A HN 0.160 nan 8.150 nan 0.000 0.523 187 V N 2.904 122.828 119.914 0.017 0.000 2.358 187 V HA -0.069 4.050 4.120 -0.000 0.000 0.246 187 V C 0.621 176.712 176.094 -0.005 0.000 1.047 187 V CA 1.596 63.899 62.300 0.005 0.000 1.035 187 V CB -0.454 31.368 31.823 -0.001 0.000 0.658 187 V HN 0.622 nan 8.190 nan 0.000 0.452 188 V N -1.012 118.899 119.914 -0.005 0.000 2.808 188 V HA 0.848 4.968 4.120 -0.000 0.000 0.308 188 V C -0.626 175.469 176.094 0.002 0.000 1.099 188 V CA -0.303 61.986 62.300 -0.017 0.000 0.920 188 V CB 1.597 33.398 31.823 -0.037 0.000 1.014 188 V HN 0.239 nan 8.190 nan 0.000 0.425 189 A N 3.078 125.908 122.820 0.016 0.000 2.422 189 A HA 1.035 5.354 4.320 -0.000 0.000 0.302 189 A C -0.382 177.242 177.584 0.067 0.000 1.041 189 A CA -0.084 51.995 52.037 0.071 0.000 0.708 189 A CB 2.027 21.120 19.000 0.154 0.000 1.257 189 A HN 1.579 nan 8.150 nan 0.000 0.414 190 S N 0.388 116.142 115.700 0.091 0.000 2.588 190 S HA 0.893 5.363 4.470 -0.000 0.000 0.269 190 S C -0.859 173.820 174.600 0.131 0.000 1.157 190 S CA -0.565 57.658 58.200 0.037 0.000 0.824 190 S CB 1.152 64.293 63.200 -0.097 0.000 1.126 190 S HN 1.973 nan 8.310 nan 0.000 0.464 191 F N -1.031 118.920 119.950 0.003 0.000 2.686 191 F HA 0.910 5.437 4.527 -0.000 0.000 0.311 191 F C -1.080 174.597 175.800 -0.205 0.000 1.128 191 F CA -0.720 57.178 58.000 -0.170 0.000 0.946 191 F CB 1.456 40.399 39.000 -0.095 0.000 1.336 191 F HN 0.959 nan 8.300 nan 0.000 0.457 192 E N 1.552 121.691 120.200 -0.102 0.000 2.335 192 E HA 0.717 5.067 4.350 -0.000 0.000 0.280 192 E C -2.135 174.335 176.600 -0.215 0.000 0.918 192 E CA -0.981 55.303 56.400 -0.193 0.000 0.765 192 E CB 2.217 31.789 29.700 -0.214 0.000 1.218 192 E HN 1.245 nan 8.360 nan 0.000 0.425 193 A N 2.549 125.249 122.820 -0.200 0.000 2.435 193 A HA 0.843 5.163 4.320 -0.000 0.000 0.304 193 A C -1.024 176.495 177.584 -0.109 0.000 1.064 193 A CA -0.508 51.479 52.037 -0.083 0.000 0.727 193 A CB 2.305 21.135 19.000 -0.283 0.000 1.284 193 A HN 0.466 nan 8.150 nan 0.000 0.415 194 T N 1.458 116.117 114.554 0.176 0.000 2.993 194 T HA 0.683 5.033 4.350 -0.000 0.000 0.312 194 T C -1.217 173.761 174.700 0.463 0.000 1.115 194 T CA -0.205 62.020 62.100 0.208 0.000 1.027 194 T CB 0.898 69.913 68.868 0.244 0.000 1.116 194 T HN 1.254 nan 8.240 nan 0.000 0.464 195 F N -0.600 119.517 119.950 0.278 0.000 2.665 195 F HA 0.748 5.274 4.527 -0.000 0.000 0.308 195 F C -0.453 175.528 175.800 0.302 0.000 1.112 195 F CA -1.100 57.102 58.000 0.337 0.000 0.972 195 F CB 1.060 40.232 39.000 0.287 0.000 1.295 195 F HN 0.534 nan 8.300 nan 0.000 0.440 196 T N 1.062 115.897 114.554 0.468 0.000 2.824 196 T HA 0.802 5.152 4.350 -0.000 0.000 0.280 196 T C -0.892 174.052 174.700 0.407 0.000 0.995 196 T CA -0.507 61.739 62.100 0.243 0.000 1.009 196 T CB 1.388 70.323 68.868 0.111 0.000 0.955 196 T HN 0.870 nan 8.240 nan 0.000 0.452 197 F N 1.356 121.458 119.950 0.253 0.000 2.631 197 F HA 0.888 5.415 4.527 -0.000 0.000 0.328 197 F C -1.535 174.397 175.800 0.221 0.000 1.067 197 F CA -2.125 56.031 58.000 0.259 0.000 0.969 197 F CB 1.385 40.575 39.000 0.317 0.000 1.332 197 F HN 0.578 nan 8.300 nan 0.000 0.490 198 L N 2.967 124.411 121.223 0.368 0.000 2.471 198 L HA 0.568 4.908 4.340 -0.000 0.000 0.263 198 L C -1.678 175.390 176.870 0.329 0.000 0.985 198 L CA -0.802 54.198 54.840 0.267 0.000 0.868 198 L CB 1.062 43.223 42.059 0.169 0.000 1.203 198 L HN 0.692 nan 8.230 nan 0.000 0.429 199 I N 4.750 125.563 120.570 0.405 0.000 2.307 199 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 199 I C -0.070 176.171 176.117 0.206 0.000 1.021 199 I CA -0.356 61.136 61.300 0.320 0.000 1.224 199 I CB 1.057 39.294 38.000 0.396 0.000 1.376 199 I HN 0.536 nan 8.210 nan 0.000 0.470 200 K N 4.422 124.911 120.400 0.149 0.000 2.345 200 K HA 0.566 4.886 4.320 -0.000 0.000 0.255 200 K C -1.095 175.557 176.600 0.087 0.000 0.934 200 K CA -0.413 55.935 56.287 0.102 0.000 0.801 200 K CB 1.900 34.453 32.500 0.087 0.000 1.137 200 K HN 0.486 nan 8.250 nan 0.000 0.424 201 S N 4.202 119.944 115.700 0.069 0.000 2.672 201 S HA 0.402 4.872 4.470 -0.000 0.000 0.291 201 S C -2.245 172.387 174.600 0.053 0.000 1.145 201 S CA -1.514 56.726 58.200 0.067 0.000 1.013 201 S CB 1.352 64.596 63.200 0.074 0.000 1.017 201 S HN 0.487 nan 8.310 nan 0.000 0.487 202 P HA 0.050 nan 4.420 nan 0.000 0.221 202 P C 0.128 177.458 177.300 0.051 0.000 1.155 202 P CA 0.475 63.602 63.100 0.045 0.000 0.812 202 P CB -0.058 31.668 31.700 0.044 0.000 0.801 203 D N -0.451 119.988 120.400 0.066 0.000 2.411 203 D HA 0.010 4.650 4.640 -0.000 0.000 0.251 203 D C 1.031 177.369 176.300 0.065 0.000 1.201 203 D CA -0.033 54.012 54.000 0.075 0.000 0.996 203 D CB 0.854 41.726 40.800 0.120 0.000 1.101 203 D HN -0.001 nan 8.370 nan 0.000 0.504 204 S N 0.293 116.030 115.700 0.061 0.000 2.531 204 S HA -0.244 4.226 4.470 -0.000 0.000 0.235 204 S C 0.750 175.495 174.600 0.243 0.000 1.061 204 S CA 0.854 59.143 58.200 0.149 0.000 1.250 204 S CB -1.375 61.862 63.200 0.062 0.000 1.183 204 S HN 0.705 nan 8.310 nan 0.000 0.413 205 H N 2.860 121.806 119.070 -0.208 0.000 2.519 205 H HA 0.502 5.058 4.556 -0.000 0.000 0.316 205 H C -2.768 172.512 175.328 -0.080 0.000 1.065 205 H CA -2.630 53.339 56.048 -0.132 0.000 1.264 205 H CB 0.826 30.509 29.762 -0.131 0.000 1.413 205 H HN 0.318 nan 8.280 nan 0.000 0.465 206 P HA 0.200 nan 4.420 nan 0.000 0.270 206 P C -0.876 176.552 177.300 0.213 0.000 1.223 206 P CA -0.130 63.052 63.100 0.136 0.000 0.785 206 P CB 0.880 32.641 31.700 0.100 0.000 0.923 207 A N 1.186 124.109 122.820 0.172 0.000 2.599 207 A HA 0.457 4.777 4.320 -0.000 0.000 0.294 207 A C -0.520 177.126 177.584 0.103 0.000 1.055 207 A CA -0.334 51.800 52.037 0.161 0.000 0.683 207 A CB 0.779 19.797 19.000 0.029 0.000 1.278 207 A HN 0.380 nan 8.150 nan 0.000 0.412 208 D N -0.315 120.139 120.400 0.090 0.000 2.422 208 D HA 0.455 5.095 4.640 -0.000 0.000 0.218 208 D C 0.786 177.169 176.300 0.138 0.000 1.047 208 D CA 1.716 55.791 54.000 0.124 0.000 0.885 208 D CB 1.037 41.885 40.800 0.080 0.000 1.035 208 D HN 1.363 nan 8.370 nan 0.000 0.502 209 G N -0.483 108.379 108.800 0.104 0.000 2.361 209 G HA2 0.245 4.205 3.960 -0.000 0.000 0.305 209 G HA3 0.245 4.205 3.960 -0.000 0.000 0.305 209 G C -1.662 173.259 174.900 0.036 0.000 1.367 209 G CA -0.925 44.234 45.100 0.098 0.000 0.951 209 G HN 0.001 nan 8.290 nan 0.000 0.615 210 I N 0.175 120.743 120.570 -0.003 0.000 2.785 210 I HA 0.791 4.961 4.170 -0.000 0.000 0.302 210 I C 0.262 176.346 176.117 -0.055 0.000 1.069 210 I CA -1.028 60.233 61.300 -0.064 0.000 1.045 210 I CB 2.253 40.182 38.000 -0.117 0.000 1.236 210 I HN 1.121 nan 8.210 nan 0.000 0.429 211 A N 3.918 126.700 122.820 -0.063 0.000 2.517 211 A HA 0.642 4.962 4.320 -0.000 0.000 0.297 211 A C -1.603 176.014 177.584 0.054 0.000 1.050 211 A CA -0.387 51.665 52.037 0.025 0.000 0.694 211 A CB 1.368 20.385 19.000 0.029 0.000 1.277 211 A HN 0.557 nan 8.150 nan 0.000 0.400 212 F N 3.528 123.493 119.950 0.025 0.000 2.408 212 F HA 0.787 5.314 4.527 -0.000 0.000 0.344 212 F C -0.796 175.092 175.800 0.147 0.000 1.112 212 F CA -1.154 56.838 58.000 -0.013 0.000 1.096 212 F CB 0.709 39.796 39.000 0.146 0.000 1.129 212 F HN 0.624 nan 8.300 nan 0.000 0.486 213 F N 4.885 124.287 119.950 -0.913 0.000 2.650 213 F HA 0.832 5.359 4.527 -0.000 0.000 0.320 213 F C -1.958 173.404 175.800 -0.730 0.000 1.091 213 F CA -1.885 55.730 58.000 -0.642 0.000 0.962 213 F CB 1.176 39.957 39.000 -0.366 0.000 1.363 213 F HN 0.283 nan 8.300 nan 0.000 0.482 214 I N 2.113 122.506 120.570 -0.295 0.000 2.499 214 I HA 0.619 4.789 4.170 -0.000 0.000 0.288 214 I C -0.758 175.362 176.117 0.006 0.000 1.048 214 I CA -0.467 60.672 61.300 -0.268 0.000 1.062 214 I CB 2.190 40.081 38.000 -0.183 0.000 1.238 214 I HN 0.929 nan 8.210 nan 0.000 0.426 215 S N 3.843 119.552 115.700 0.015 0.000 2.705 215 S HA 0.515 4.985 4.470 -0.000 0.000 0.280 215 S C -1.060 173.574 174.600 0.056 0.000 1.174 215 S CA -1.138 57.115 58.200 0.088 0.000 0.823 215 S CB 1.440 64.746 63.200 0.177 0.000 1.162 215 S HN 0.625 nan 8.310 nan 0.000 0.487 216 N N 0.473 119.207 118.700 0.058 0.000 2.492 216 N HA 0.130 4.870 4.740 -0.000 0.000 0.260 216 N C 1.236 176.765 175.510 0.031 0.000 1.215 216 N CA -0.397 52.684 53.050 0.053 0.000 0.923 216 N CB 0.300 38.814 38.487 0.044 0.000 1.092 216 N HN 0.701 nan 8.380 nan 0.000 0.448 217 I N 0.268 120.853 120.570 0.026 0.000 2.143 217 I HA -0.357 3.813 4.170 -0.000 0.000 0.245 217 I C 1.259 177.353 176.117 -0.038 0.000 1.068 217 I CA 1.898 63.192 61.300 -0.010 0.000 1.326 217 I CB -0.425 37.559 38.000 -0.027 0.000 1.028 217 I HN 0.630 nan 8.210 nan 0.000 0.412 218 D N 0.345 120.726 120.400 -0.032 0.000 2.352 218 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 218 D C 0.719 177.000 176.300 -0.032 0.000 1.148 218 D CA -0.001 53.974 54.000 -0.042 0.000 0.844 218 D CB -0.298 40.477 40.800 -0.042 0.000 0.933 218 D HN 0.103 nan 8.370 nan 0.000 0.507 219 S N 0.200 115.891 115.700 -0.016 0.000 2.579 219 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 219 S C 0.058 174.636 174.600 -0.036 0.000 1.345 219 S CA -0.330 57.857 58.200 -0.021 0.000 1.031 219 S CB 0.403 63.609 63.200 0.010 0.000 0.892 219 S HN 0.409 nan 8.310 nan 0.000 0.529 220 S N 3.197 118.858 115.700 -0.066 0.000 2.579 220 S HA 0.510 4.980 4.470 -0.000 0.000 0.272 220 S C -0.621 173.913 174.600 -0.111 0.000 1.141 220 S CA -1.035 57.121 58.200 -0.073 0.000 0.843 220 S CB 0.411 63.576 63.200 -0.059 0.000 1.122 220 S HN 0.726 nan 8.310 nan 0.000 0.468 221 I N 2.156 122.659 120.570 -0.112 0.000 2.742 221 I HA 0.136 4.306 4.170 -0.000 0.000 0.287 221 I C -2.180 173.872 176.117 -0.108 0.000 1.186 221 I CA -1.075 60.144 61.300 -0.134 0.000 1.417 221 I CB -0.307 37.626 38.000 -0.113 0.000 1.377 221 I HN 0.411 nan 8.210 nan 0.000 0.556 222 P HA 0.067 nan 4.420 nan 0.000 0.271 222 P C -0.607 176.658 177.300 -0.059 0.000 1.218 222 P CA -0.218 62.834 63.100 -0.079 0.000 0.780 222 P CB 0.511 32.164 31.700 -0.078 0.000 0.901 223 S N 1.906 117.580 115.700 -0.043 0.000 2.546 223 S HA 0.294 4.763 4.470 -0.000 0.000 0.290 223 S C 1.388 175.970 174.600 -0.030 0.000 1.262 223 S CA 0.805 58.984 58.200 -0.035 0.000 1.083 223 S CB -0.714 62.469 63.200 -0.027 0.000 0.859 223 S HN 0.929 nan 8.310 nan 0.000 0.495 224 G N 2.733 111.513 108.800 -0.033 0.000 2.249 224 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.273 224 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.273 224 G C 0.477 175.361 174.900 -0.026 0.000 1.036 224 G CA 0.313 45.396 45.100 -0.029 0.000 0.824 224 G HN 1.127 nan 8.290 nan 0.000 0.504 225 S N -0.626 115.052 115.700 -0.036 0.000 2.685 225 S HA 0.410 4.880 4.470 -0.000 0.000 0.240 225 S C 1.102 175.680 174.600 -0.036 0.000 0.967 225 S CA 0.634 58.815 58.200 -0.033 0.000 1.009 225 S CB 0.095 63.259 63.200 -0.060 0.000 0.776 225 S HN 0.768 nan 8.310 nan 0.000 0.467 226 T N 0.339 114.872 114.554 -0.034 0.000 2.689 226 T HA 0.608 4.958 4.350 -0.000 0.000 0.308 226 T C 1.398 176.085 174.700 -0.022 0.000 1.021 226 T CA -0.185 61.893 62.100 -0.036 0.000 0.973 226 T CB -0.457 68.387 68.868 -0.041 0.000 1.113 226 T HN 0.897 nan 8.240 nan 0.000 0.522 227 G N 1.627 110.412 108.800 -0.026 0.000 2.614 227 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.303 227 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.303 227 G C 0.909 175.823 174.900 0.023 0.000 1.270 227 G CA 1.156 46.246 45.100 -0.017 0.000 0.988 227 G HN 1.113 nan 8.290 nan 0.000 0.551 228 R N 0.155 120.681 120.500 0.044 0.000 2.244 228 R HA -0.025 4.315 4.340 -0.000 0.000 0.252 228 R C 2.411 178.765 176.300 0.092 0.000 1.177 228 R CA 2.335 58.488 56.100 0.089 0.000 1.004 228 R CB -0.555 29.802 30.300 0.094 0.000 0.873 228 R HN 0.493 nan 8.270 nan 0.000 0.469 229 L N 0.754 122.023 121.223 0.077 0.000 2.554 229 L HA 0.155 4.495 4.340 -0.000 0.000 0.226 229 L C 0.797 177.737 176.870 0.116 0.000 1.137 229 L CA 0.170 55.086 54.840 0.126 0.000 0.863 229 L CB -0.234 41.883 42.059 0.096 0.000 0.985 229 L HN 0.230 nan 8.230 nan 0.000 0.451 230 L N 0.194 121.444 121.223 0.045 0.000 4.367 230 L HA -0.310 4.030 4.340 -0.000 0.000 0.424 230 L C 1.186 177.981 176.870 -0.124 0.000 1.152 230 L CA 0.382 55.212 54.840 -0.017 0.000 0.974 230 L CB -2.467 39.605 42.059 0.021 0.000 2.012 230 L HN 0.532 nan 8.230 nan 0.000 0.922 231 G N -1.042 107.680 108.800 -0.130 0.000 2.153 231 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.252 231 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.252 231 G C 0.596 175.276 174.900 -0.368 0.000 0.994 231 G CA 0.589 45.565 45.100 -0.207 0.000 0.698 231 G HN 0.442 nan 8.290 nan 0.000 0.521 232 L N -2.278 118.676 121.223 -0.448 0.000 2.577 232 L HA 0.475 4.815 4.340 -0.000 0.000 0.225 232 L C 0.660 176.983 176.870 -0.912 0.000 1.053 232 L CA 0.043 54.375 54.840 -0.847 0.000 0.866 232 L CB 0.212 41.548 42.059 -1.206 0.000 1.132 232 L HN 0.126 nan 8.230 nan 0.000 0.486 233 F N 0.124 119.997 119.950 -0.128 0.000 2.522 233 F HA 0.407 4.934 4.527 -0.000 0.000 0.324 233 F C -1.561 174.198 175.800 -0.068 0.000 1.077 233 F CA -2.196 55.752 58.000 -0.086 0.000 0.944 233 F CB 0.504 39.467 39.000 -0.062 0.000 1.175 233 F HN -0.306 nan 8.300 nan 0.000 0.468 234 P HA -0.020 nan 4.420 nan 0.000 0.218 234 P C -0.572 176.762 177.300 0.058 0.000 1.152 234 P CA 1.205 64.338 63.100 0.055 0.000 0.826 234 P CB 0.197 31.920 31.700 0.038 0.000 0.790 235 D N -1.950 118.496 120.400 0.076 0.000 2.636 235 D HA 0.491 5.131 4.640 -0.000 0.000 0.275 235 D C -0.152 176.159 176.300 0.018 0.000 1.130 235 D CA -1.063 52.959 54.000 0.037 0.000 1.031 235 D CB 0.118 40.928 40.800 0.017 0.000 1.451 235 D HN -0.103 nan 8.370 nan 0.000 0.505 236 A N -0.297 122.515 122.820 -0.013 0.000 2.415 236 A HA 0.193 4.512 4.320 -0.000 0.000 0.248 236 A C 0.650 178.187 177.584 -0.079 0.000 1.299 236 A CA -0.278 51.728 52.037 -0.052 0.000 0.899 236 A CB -1.506 17.477 19.000 -0.027 0.000 0.997 236 A HN 0.554 nan 8.150 nan 0.000 0.506 237 N N 0.000 118.661 118.700 -0.065 0.000 1.763 237 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 237 N CA 0.000 53.013 53.050 -0.062 0.000 0.885 237 N CB 0.000 38.467 38.487 -0.034 0.000 1.341 237 N HN 0.000 nan 8.380 nan 0.000 0.667