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 2zry_1_B DATA FIRST_RESID 3 DATA SEQUENCE DIVNRKVEHV EIAAFENVDG LSSSTFLNDV ILVHQGFPGI SFSEINTKTK DATA SEQUENCE FFRKEISVPV MVTGMTGGRN ELGRINKIIA EVAEKFGIPM GVGSQRVAIE DATA SEQUENCE KAEARESFAI VRKVAPTIPI IANLGMPQLV KGYGLKEFQD AIQMIEADAI DATA SEQUENCE AVHLNPAQEV FQPEGEPEYQ IYALEKLRDI SKELSVPIIV KESGNGISME DATA SEQUENCE TAKLLYSYGI KNFDTSGQGG TNWIAIEMIR DIRRGNWKAE SAKNFLDWGV DATA SEQUENCE PTAASIMEVR YSVPDSFLVG SGGIRSGLDA AKAIALGADI AGMALPVLKS DATA SEQUENCE AIEGKESLEQ FFRKIIFELK AAMMLTGSKD VDALKKTSIV ILGKLKEWAE DATA SEQUENCE YRGINLSIYE KVRK 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.296 176.300 -0.007 0.000 2.045 3 D CA 0.000 54.001 54.000 0.002 0.000 0.868 3 D CB 0.000 40.803 40.800 0.006 0.000 0.688 4 I N 1.361 121.932 120.570 0.002 0.000 2.286 4 I HA -0.148 4.023 4.170 0.001 0.000 0.248 4 I C 2.139 178.251 176.117 -0.008 0.000 1.115 4 I CA 1.767 63.066 61.300 -0.003 0.000 1.392 4 I CB 0.021 38.034 38.000 0.021 0.000 1.065 4 I HN 0.173 nan 8.210 nan 0.000 0.418 5 V N -0.133 119.786 119.914 0.008 0.000 2.515 5 V HA -0.263 3.858 4.120 0.001 0.000 0.250 5 V C 1.910 177.996 176.094 -0.013 0.000 1.058 5 V CA 2.477 64.782 62.300 0.008 0.000 1.064 5 V CB -1.136 30.699 31.823 0.020 0.000 0.675 5 V HN 0.531 nan 8.190 nan 0.000 0.461 6 N N 0.484 119.172 118.700 -0.020 0.000 2.080 6 N HA -0.176 4.565 4.740 0.001 0.000 0.189 6 N C 2.104 177.574 175.510 -0.067 0.000 1.036 6 N CA 1.832 54.865 53.050 -0.028 0.000 0.846 6 N CB -0.362 38.113 38.487 -0.019 0.000 1.015 6 N HN 0.554 nan 8.380 nan 0.000 0.423 7 R N 0.918 121.350 120.500 -0.114 0.000 2.096 7 R HA -0.187 4.154 4.340 0.001 0.000 0.240 7 R C 1.734 177.799 176.300 -0.391 0.000 1.139 7 R CA 1.608 57.548 56.100 -0.267 0.000 0.952 7 R CB -0.044 30.090 30.300 -0.277 0.000 0.854 7 R HN 0.007 nan 8.270 nan 0.000 0.436 8 K N 0.029 120.311 120.400 -0.196 0.000 2.044 8 K HA -0.162 4.158 4.320 0.001 0.000 0.210 8 K C 1.930 178.531 176.600 0.002 0.000 1.049 8 K CA 1.700 57.956 56.287 -0.053 0.000 0.927 8 K CB -0.562 31.947 32.500 0.015 0.000 0.713 8 K HN 0.262 nan 8.250 nan 0.000 0.443 9 V N -0.092 119.815 119.914 -0.011 0.000 2.379 9 V HA -0.185 3.936 4.120 0.001 0.000 0.245 9 V C 1.790 177.906 176.094 0.038 0.000 1.044 9 V CA 1.620 63.932 62.300 0.019 0.000 1.036 9 V CB -0.201 31.633 31.823 0.019 0.000 0.664 9 V HN 0.323 nan 8.190 nan 0.000 0.453 10 E N -0.354 119.853 120.200 0.011 0.000 2.049 10 E HA -0.291 4.060 4.350 0.001 0.000 0.198 10 E C 2.039 178.713 176.600 0.123 0.000 1.007 10 E CA 2.251 58.677 56.400 0.043 0.000 0.809 10 E CB -0.408 29.298 29.700 0.010 0.000 0.749 10 E HN 0.843 nan 8.360 nan 0.000 0.450 11 H N -0.381 118.738 119.070 0.081 0.000 2.265 11 H HA -0.163 4.393 4.556 0.001 0.000 0.293 11 H C 2.358 177.705 175.328 0.031 0.000 1.089 11 H CA 1.435 57.558 56.048 0.125 0.000 1.244 11 H CB -0.032 29.898 29.762 0.280 0.000 1.355 11 H HN 0.015 nan 8.280 nan 0.000 0.485 12 V N 1.038 121.053 119.914 0.167 0.000 2.332 12 V HA -0.254 3.867 4.120 0.001 0.000 0.248 12 V C 2.467 178.490 176.094 -0.119 0.000 1.055 12 V CA 2.058 64.365 62.300 0.011 0.000 1.038 12 V CB -0.424 31.402 31.823 0.005 0.000 0.651 12 V HN 0.514 nan 8.190 nan 0.000 0.450 13 E N 0.302 120.483 120.200 -0.032 0.000 2.047 13 E HA -0.204 4.147 4.350 0.001 0.000 0.191 13 E C 2.190 178.771 176.600 -0.032 0.000 0.987 13 E CA 1.828 58.232 56.400 0.007 0.000 0.799 13 E CB -0.174 29.617 29.700 0.151 0.000 0.752 13 E HN 0.617 nan 8.360 nan 0.000 0.449 14 I N 1.344 121.902 120.570 -0.019 0.000 2.179 14 I HA -0.248 3.922 4.170 0.001 0.000 0.242 14 I C 2.781 178.795 176.117 -0.173 0.000 1.088 14 I CA 1.149 62.413 61.300 -0.058 0.000 1.357 14 I CB -0.467 37.502 38.000 -0.052 0.000 1.051 14 I HN 0.108 nan 8.210 nan 0.000 0.409 15 A N 0.806 123.479 122.820 -0.245 0.000 1.908 15 A HA -0.183 4.138 4.320 0.001 0.000 0.218 15 A C 2.518 179.913 177.584 -0.314 0.000 1.181 15 A CA 2.114 53.961 52.037 -0.316 0.000 0.627 15 A CB -0.864 17.951 19.000 -0.309 0.000 0.818 15 A HN 0.446 nan 8.150 nan 0.000 0.445 16 A N -1.788 120.761 122.820 -0.452 0.000 1.930 16 A HA 0.210 4.531 4.320 0.001 0.000 0.215 16 A C 1.780 179.026 177.584 -0.564 0.000 1.176 16 A CA 1.303 52.935 52.037 -0.675 0.000 0.632 16 A CB -0.433 17.853 19.000 -1.190 0.000 0.819 16 A HN 0.547 nan 8.150 nan 0.000 0.445 17 F N -0.517 119.393 119.950 -0.067 0.000 2.724 17 F HA 0.238 4.766 4.527 0.001 0.000 0.306 17 F C 0.807 176.572 175.800 -0.058 0.000 1.100 17 F CA -0.474 57.493 58.000 -0.056 0.000 1.255 17 F CB 0.466 39.440 39.000 -0.043 0.000 1.072 17 F HN 0.018 nan 8.300 nan 0.000 0.589 18 E N 0.814 121.042 120.200 0.047 0.000 2.239 18 E HA 0.127 4.478 4.350 0.001 0.000 0.261 18 E C -0.814 175.759 176.600 -0.044 0.000 1.016 18 E CA -0.723 55.679 56.400 0.003 0.000 0.882 18 E CB 0.990 30.677 29.700 -0.021 0.000 1.190 18 E HN -0.149 nan 8.360 nan 0.000 0.415 19 N N 1.262 119.936 118.700 -0.043 0.000 2.663 19 N HA 0.042 4.783 4.740 0.001 0.000 0.250 19 N C -0.021 175.439 175.510 -0.083 0.000 1.129 19 N CA -0.020 52.998 53.050 -0.053 0.000 0.995 19 N CB -0.104 38.362 38.487 -0.035 0.000 1.324 19 N HN 0.315 nan 8.380 nan 0.000 0.512 20 V N -1.110 118.734 119.914 -0.118 0.000 3.398 20 V HA 0.342 4.463 4.120 0.001 0.000 0.298 20 V C 0.238 176.236 176.094 -0.160 0.000 1.496 20 V CA -0.483 61.721 62.300 -0.160 0.000 1.044 20 V CB 0.049 31.724 31.823 -0.247 0.000 0.880 20 V HN 0.252 nan 8.190 nan 0.000 0.443 21 D N 2.243 122.569 120.400 -0.124 0.000 2.365 21 D HA 0.485 5.126 4.640 0.001 0.000 0.237 21 D C 1.386 177.647 176.300 -0.066 0.000 1.190 21 D CA 1.167 55.106 54.000 -0.101 0.000 0.867 21 D CB 0.530 41.278 40.800 -0.086 0.000 1.050 21 D HN 0.684 nan 8.370 nan 0.000 0.491 22 G N 3.936 112.701 108.800 -0.058 0.000 2.160 22 G HA2 -0.249 3.711 3.960 0.001 0.000 0.251 22 G HA3 -0.249 3.711 3.960 0.001 0.000 0.251 22 G C 0.447 175.329 174.900 -0.030 0.000 1.008 22 G CA -0.022 45.058 45.100 -0.034 0.000 0.724 22 G HN 0.559 nan 8.290 nan 0.000 0.514 23 L N 0.944 122.140 121.223 -0.045 0.000 2.597 23 L HA 0.281 4.622 4.340 0.001 0.000 0.271 23 L C 1.238 178.095 176.870 -0.022 0.000 1.157 23 L CA 1.331 56.148 54.840 -0.038 0.000 0.928 23 L CB 0.024 42.049 42.059 -0.057 0.000 1.216 23 L HN 0.583 nan 8.230 nan 0.000 0.481 24 S N 1.655 117.349 115.700 -0.010 0.000 3.445 24 S HA -0.181 4.290 4.470 0.001 0.000 0.319 24 S C 0.280 174.888 174.600 0.013 0.000 1.209 24 S CA 1.147 59.348 58.200 0.003 0.000 0.934 24 S CB -1.377 61.824 63.200 0.001 0.000 0.999 24 S HN 0.948 nan 8.310 nan 0.000 0.582 25 S N -1.005 114.700 115.700 0.009 0.000 2.704 25 S HA 0.880 5.351 4.470 0.001 0.000 0.296 25 S C -0.571 174.039 174.600 0.017 0.000 1.138 25 S CA -0.179 58.026 58.200 0.009 0.000 0.875 25 S CB 2.480 65.677 63.200 -0.005 0.000 1.151 25 S HN 0.528 nan 8.310 nan 0.000 0.500 26 S N -0.348 115.357 115.700 0.009 0.000 2.536 26 S HA 0.519 4.990 4.470 0.001 0.000 0.271 26 S C 0.591 175.182 174.600 -0.017 0.000 1.134 26 S CA 0.001 58.235 58.200 0.057 0.000 0.897 26 S CB 1.427 64.747 63.200 0.199 0.000 1.094 26 S HN 1.152 nan 8.310 nan 0.000 0.473 27 T N 1.134 115.699 114.554 0.018 0.000 3.067 27 T HA 0.223 4.574 4.350 0.001 0.000 0.261 27 T C 1.067 175.793 174.700 0.043 0.000 1.110 27 T CA 0.796 62.874 62.100 -0.037 0.000 1.113 27 T CB -0.839 68.024 68.868 -0.008 0.000 0.917 27 T HN 0.875 nan 8.240 nan 0.000 0.499 28 F N -0.649 119.232 119.950 -0.115 0.000 2.748 28 F HA -0.256 4.272 4.527 0.001 0.000 0.370 28 F C 1.303 177.048 175.800 -0.091 0.000 0.620 28 F CA 0.010 57.939 58.000 -0.119 0.000 1.233 28 F CB -1.819 37.067 39.000 -0.190 0.000 1.708 28 F HN 0.192 nan 8.300 nan 0.000 0.298 29 L N -0.096 121.184 121.223 0.095 0.000 2.201 29 L HA -0.197 4.144 4.340 0.001 0.000 0.212 29 L C 1.983 178.862 176.870 0.016 0.000 1.105 29 L CA 1.299 56.162 54.840 0.039 0.000 0.775 29 L CB -0.497 41.576 42.059 0.024 0.000 0.913 29 L HN 0.220 nan 8.230 nan 0.000 0.440 30 N N 0.266 118.972 118.700 0.010 0.000 2.247 30 N HA -0.207 4.534 4.740 0.001 0.000 0.189 30 N C 1.162 176.648 175.510 -0.039 0.000 1.009 30 N CA 1.306 54.346 53.050 -0.017 0.000 0.872 30 N CB -0.295 38.176 38.487 -0.028 0.000 0.980 30 N HN 0.327 nan 8.380 nan 0.000 0.436 31 D N -0.356 120.010 120.400 -0.056 0.000 2.349 31 D HA 0.052 4.693 4.640 0.001 0.000 0.224 31 D C -0.174 176.103 176.300 -0.038 0.000 1.029 31 D CA 0.217 54.170 54.000 -0.079 0.000 0.879 31 D CB 0.503 41.212 40.800 -0.152 0.000 0.906 31 D HN -0.024 nan 8.370 nan 0.000 0.528 32 V N 1.742 121.647 119.914 -0.015 0.000 2.384 32 V HA 0.369 4.490 4.120 0.001 0.000 0.287 32 V C 0.093 176.189 176.094 0.003 0.000 1.020 32 V CA -0.645 61.655 62.300 0.001 0.000 0.850 32 V CB 1.969 33.799 31.823 0.012 0.000 0.987 32 V HN -0.132 nan 8.190 nan 0.000 0.436 33 I N 5.530 126.105 120.570 0.008 0.000 2.436 33 I HA 0.419 4.590 4.170 0.001 0.000 0.289 33 I C -0.421 175.708 176.117 0.021 0.000 1.010 33 I CA -0.453 60.854 61.300 0.012 0.000 1.098 33 I CB 1.907 39.912 38.000 0.008 0.000 1.266 33 I HN 0.367 nan 8.210 nan 0.000 0.434 34 L N 6.425 127.662 121.223 0.023 0.000 2.319 34 L HA 0.313 4.654 4.340 0.001 0.000 0.280 34 L C -0.154 176.743 176.870 0.045 0.000 1.099 34 L CA -0.775 54.083 54.840 0.029 0.000 0.828 34 L CB 0.773 42.846 42.059 0.024 0.000 1.150 34 L HN 0.288 nan 8.230 nan 0.000 0.442 35 V N 2.795 122.735 119.914 0.043 0.000 2.479 35 V HA -0.052 4.069 4.120 0.001 0.000 0.281 35 V C 0.398 176.538 176.094 0.077 0.000 1.031 35 V CA -0.271 62.063 62.300 0.057 0.000 1.038 35 V CB 0.255 32.101 31.823 0.037 0.000 0.981 35 V HN 0.611 nan 8.190 nan 0.000 0.478 36 H N 5.590 124.664 119.070 0.007 0.000 2.886 36 H HA 0.182 4.738 4.556 0.001 0.000 0.329 36 H C -0.065 175.273 175.328 0.016 0.000 1.044 36 H CA 0.239 56.291 56.048 0.007 0.000 1.456 36 H CB 0.561 30.327 29.762 0.007 0.000 1.464 36 H HN 0.564 nan 8.280 nan 0.000 0.573 37 Q N 4.163 123.625 119.800 -0.563 0.000 2.394 37 Q HA 0.213 4.554 4.340 0.001 0.000 0.259 37 Q C 1.152 176.791 176.000 -0.602 0.000 1.021 37 Q CA 0.097 55.646 55.803 -0.424 0.000 0.805 37 Q CB 1.701 30.329 28.738 -0.183 0.000 1.226 37 Q HN 1.078 nan 8.270 nan 0.000 0.476 38 G N 1.791 110.353 108.800 -0.396 0.000 2.448 38 G HA2 -0.203 3.758 3.960 0.001 0.000 0.219 38 G HA3 -0.203 3.758 3.960 0.001 0.000 0.219 38 G C 0.153 175.060 174.900 0.012 0.000 1.127 38 G CA 0.377 45.405 45.100 -0.119 0.000 0.766 38 G HN 0.461 nan 8.290 nan 0.000 0.552 39 F N 1.418 121.310 119.950 -0.097 0.000 2.363 39 F HA 0.485 5.013 4.527 0.002 0.000 0.366 39 F C -1.523 174.240 175.800 -0.062 0.000 1.083 39 F CA -2.530 55.438 58.000 -0.054 0.000 1.176 39 F CB 2.001 40.983 39.000 -0.030 0.000 1.432 39 F HN -0.106 nan 8.300 nan 0.000 0.482 40 P HA 0.004 nan 4.420 nan 0.000 0.216 40 P C 1.090 178.261 177.300 -0.215 0.000 1.150 40 P CA 1.944 64.891 63.100 -0.255 0.000 0.837 40 P CB 0.118 31.676 31.700 -0.236 0.000 0.786 41 G N -0.665 107.868 108.800 -0.445 0.000 2.136 41 G HA2 -0.214 3.747 3.960 0.001 0.000 0.242 41 G HA3 -0.214 3.747 3.960 0.001 0.000 0.242 41 G C 0.145 174.988 174.900 -0.095 0.000 0.989 41 G CA 0.318 45.358 45.100 -0.100 0.000 0.682 41 G HN 0.558 nan 8.290 nan 0.000 0.522 42 I N -3.624 116.843 120.570 -0.171 0.000 3.195 42 I HA 0.876 5.047 4.170 0.001 0.000 0.313 42 I C -0.345 175.720 176.117 -0.086 0.000 1.237 42 I CA -0.969 60.276 61.300 -0.093 0.000 0.963 42 I CB 1.846 39.803 38.000 -0.072 0.000 1.278 42 I HN 0.213 nan 8.210 nan 0.000 0.460 43 S N 0.934 116.615 115.700 -0.031 0.000 2.549 43 S HA 0.439 4.910 4.470 0.001 0.000 0.297 43 S C 0.383 175.021 174.600 0.063 0.000 1.115 43 S CA -0.537 57.676 58.200 0.022 0.000 1.059 43 S CB 1.043 64.262 63.200 0.031 0.000 1.046 43 S HN 0.668 nan 8.310 nan 0.000 0.506 44 F N 4.000 123.935 119.950 -0.025 0.000 2.120 44 F HA -0.128 4.400 4.527 0.001 0.000 0.300 44 F C 2.498 178.303 175.800 0.007 0.000 1.095 44 F CA 2.387 60.383 58.000 -0.006 0.000 1.249 44 F CB -0.329 38.683 39.000 0.021 0.000 0.995 44 F HN 0.735 nan 8.300 nan 0.000 0.480 45 S N -0.420 115.396 115.700 0.193 0.000 2.522 45 S HA -0.163 4.307 4.470 0.001 0.000 0.227 45 S C 1.586 176.191 174.600 0.008 0.000 0.986 45 S CA 0.705 58.971 58.200 0.110 0.000 0.929 45 S CB -0.750 62.531 63.200 0.134 0.000 0.769 45 S HN 0.776 nan 8.310 nan 0.000 0.529 46 E N 0.934 121.125 120.200 -0.016 0.000 2.489 46 E HA 0.157 4.508 4.350 0.001 0.000 0.193 46 E C 0.138 176.695 176.600 -0.073 0.000 1.057 46 E CA -0.338 56.042 56.400 -0.033 0.000 0.866 46 E CB -0.262 29.427 29.700 -0.018 0.000 0.916 46 E HN 0.541 nan 8.360 nan 0.000 0.500 47 I N 2.840 123.327 120.570 -0.139 0.000 2.598 47 I HA -0.040 4.130 4.170 0.001 0.000 0.284 47 I C -0.004 176.031 176.117 -0.136 0.000 1.140 47 I CA -0.052 61.141 61.300 -0.179 0.000 1.420 47 I CB 0.154 37.952 38.000 -0.336 0.000 1.387 47 I HN 0.092 nan 8.210 nan 0.000 0.553 48 N N 4.330 122.972 118.700 -0.096 0.000 2.443 48 N HA 0.204 4.944 4.740 0.001 0.000 0.269 48 N C 0.339 175.814 175.510 -0.058 0.000 0.985 48 N CA -0.640 52.372 53.050 -0.064 0.000 0.921 48 N CB 1.220 39.682 38.487 -0.041 0.000 1.195 48 N HN 0.590 nan 8.380 nan 0.000 0.492 49 T N -0.386 114.138 114.554 -0.050 0.000 3.122 49 T HA 0.247 4.597 4.350 0.001 0.000 0.250 49 T C 0.456 175.147 174.700 -0.014 0.000 1.067 49 T CA -0.068 62.009 62.100 -0.038 0.000 0.966 49 T CB -0.213 68.630 68.868 -0.040 0.000 1.002 49 T HN 0.299 nan 8.240 nan 0.000 0.542 50 K N 1.438 121.832 120.400 -0.010 0.000 2.355 50 K HA 0.462 4.783 4.320 0.001 0.000 0.270 50 K C -0.104 176.505 176.600 0.014 0.000 1.003 50 K CA 0.033 56.322 56.287 0.004 0.000 0.957 50 K CB 0.873 33.375 32.500 0.002 0.000 0.939 50 K HN 0.166 nan 8.250 nan 0.000 0.482 51 T N 1.148 115.721 114.554 0.032 0.000 2.792 51 T HA 0.319 4.670 4.350 0.001 0.000 0.303 51 T C -1.785 172.953 174.700 0.063 0.000 1.310 51 T CA -1.072 61.057 62.100 0.048 0.000 1.007 51 T CB 0.885 69.793 68.868 0.067 0.000 1.335 51 T HN 0.442 nan 8.240 nan 0.000 0.504 52 K N 1.343 121.773 120.400 0.050 0.000 2.218 52 K HA 0.625 4.945 4.320 0.001 0.000 0.276 52 K C -1.060 175.557 176.600 0.028 0.000 1.022 52 K CA -0.386 55.913 56.287 0.021 0.000 0.946 52 K CB 0.568 33.040 32.500 -0.047 0.000 1.000 52 K HN 0.421 nan 8.250 nan 0.000 0.468 53 F N 4.527 124.381 119.950 -0.160 0.000 2.676 53 F HA 0.311 4.839 4.527 0.002 0.000 0.371 53 F C -0.511 175.119 175.800 -0.283 0.000 1.141 53 F CA -0.734 57.083 58.000 -0.305 0.000 1.133 53 F CB -0.083 38.866 39.000 -0.084 0.000 1.376 53 F HN 0.727 nan 8.300 nan 0.000 0.491 54 F N 1.227 120.889 119.950 -0.480 0.000 2.271 54 F HA -0.451 4.077 4.527 0.001 0.000 0.306 54 F C 1.502 177.224 175.800 -0.130 0.000 1.484 54 F CA 1.463 59.268 58.000 -0.324 0.000 1.166 54 F CB -0.672 38.170 39.000 -0.264 0.000 3.762 54 F HN 0.346 nan 8.300 nan 0.000 0.149 55 R N 1.058 121.667 120.500 0.182 0.000 2.317 55 R HA 0.226 4.567 4.340 0.001 0.000 0.208 55 R C -0.203 176.151 176.300 0.089 0.000 0.914 55 R CA 0.336 56.491 56.100 0.092 0.000 1.060 55 R CB -0.016 30.324 30.300 0.067 0.000 1.015 55 R HN 0.300 nan 8.270 nan 0.000 0.498 56 K N 1.007 121.486 120.400 0.132 0.000 2.211 56 K HA 0.249 4.569 4.320 0.001 0.000 0.237 56 K C -0.487 176.169 176.600 0.093 0.000 1.002 56 K CA -0.666 55.688 56.287 0.111 0.000 0.885 56 K CB 1.633 34.215 32.500 0.135 0.000 1.136 56 K HN -0.086 nan 8.250 nan 0.000 0.448 57 E N 1.948 122.187 120.200 0.064 0.000 2.191 57 E HA 0.352 4.703 4.350 0.001 0.000 0.274 57 E C -0.936 175.690 176.600 0.044 0.000 0.948 57 E CA -0.635 55.796 56.400 0.052 0.000 0.802 57 E CB 1.118 30.836 29.700 0.030 0.000 1.137 57 E HN 0.450 nan 8.360 nan 0.000 0.397 58 I N -0.450 120.147 120.570 0.045 0.000 2.846 58 I HA 0.409 4.580 4.170 0.001 0.000 0.307 58 I C 0.533 176.655 176.117 0.009 0.000 1.053 58 I CA -0.753 60.554 61.300 0.013 0.000 1.050 58 I CB 2.134 40.128 38.000 -0.010 0.000 1.239 58 I HN 0.260 nan 8.210 nan 0.000 0.439 59 S N 1.758 117.455 115.700 -0.005 0.000 2.436 59 S HA 0.175 4.646 4.470 0.001 0.000 0.228 59 S C 0.451 175.052 174.600 0.002 0.000 1.014 59 S CA 0.397 58.599 58.200 0.002 0.000 0.950 59 S CB 0.016 63.223 63.200 0.012 0.000 0.784 59 S HN 0.472 nan 8.310 nan 0.000 0.504 60 V N 2.404 122.314 119.914 -0.007 0.000 2.891 60 V HA 0.313 4.434 4.120 0.001 0.000 0.304 60 V C -2.599 173.493 176.094 -0.004 0.000 1.171 60 V CA -1.694 60.597 62.300 -0.014 0.000 0.943 60 V CB 2.534 34.336 31.823 -0.034 0.000 1.037 60 V HN -0.047 nan 8.190 nan 0.000 0.427 61 P HA 0.216 nan 4.420 nan 0.000 0.220 61 P C -0.675 176.646 177.300 0.034 0.000 1.778 61 P CA 0.113 63.237 63.100 0.040 0.000 0.912 61 P CB 0.244 31.964 31.700 0.032 0.000 1.861 62 V N 2.168 122.089 119.914 0.012 0.000 2.789 62 V HA 0.562 4.683 4.120 0.001 0.000 0.311 62 V C 0.256 176.345 176.094 -0.008 0.000 1.073 62 V CA -0.800 61.508 62.300 0.013 0.000 0.921 62 V CB 2.430 34.250 31.823 -0.006 0.000 1.009 62 V HN 0.238 nan 8.190 nan 0.000 0.426 63 M N 2.961 122.583 119.600 0.037 0.000 2.591 63 M HA 0.848 5.329 4.480 0.001 0.000 0.306 63 M C -1.475 174.873 176.300 0.079 0.000 1.190 63 M CA -0.776 54.529 55.300 0.008 0.000 0.889 63 M CB 2.228 34.844 32.600 0.027 0.000 1.728 63 M HN 0.239 nan 8.290 nan 0.000 0.458 64 V N 2.418 122.381 119.914 0.081 0.000 2.432 64 V HA 0.326 4.447 4.120 0.001 0.000 0.271 64 V C 0.645 176.808 176.094 0.114 0.000 1.046 64 V CA -0.321 62.064 62.300 0.142 0.000 0.945 64 V CB 0.682 32.617 31.823 0.186 0.000 0.992 64 V HN 1.014 nan 8.190 nan 0.000 0.471 65 T N 2.390 117.015 114.554 0.119 0.000 2.899 65 T HA 0.553 4.903 4.350 0.001 0.000 0.284 65 T C 0.656 175.418 174.700 0.103 0.000 1.004 65 T CA -0.152 62.018 62.100 0.117 0.000 1.043 65 T CB 1.401 70.338 68.868 0.114 0.000 1.013 65 T HN 0.915 nan 8.240 nan 0.000 0.518 66 G N 0.614 109.475 108.800 0.102 0.000 2.414 66 G HA2 0.412 4.373 3.960 0.001 0.000 0.236 66 G HA3 0.412 4.373 3.960 0.001 0.000 0.236 66 G C 0.140 175.085 174.900 0.074 0.000 1.293 66 G CA -0.403 44.755 45.100 0.096 0.000 0.869 66 G HN 0.833 nan 8.290 nan 0.000 0.556 67 M N 0.374 120.026 119.600 0.086 0.000 2.199 67 M HA 0.205 4.686 4.480 0.001 0.000 0.191 67 M C 1.000 177.357 176.300 0.094 0.000 1.744 67 M CA 0.249 55.597 55.300 0.081 0.000 1.005 67 M CB 0.903 33.547 32.600 0.073 0.000 1.478 67 M HN 0.572 nan 8.290 nan 0.000 0.585 68 T N -0.788 113.816 114.554 0.083 0.000 2.669 68 T HA 0.761 5.112 4.350 0.001 0.000 0.283 68 T C -1.369 173.303 174.700 -0.047 0.000 1.019 68 T CA 0.176 62.307 62.100 0.051 0.000 1.039 68 T CB 2.098 70.974 68.868 0.014 0.000 1.374 68 T HN 0.646 nan 8.240 nan 0.000 0.523 69 G N -1.531 107.145 108.800 -0.207 0.000 2.317 69 G HA2 0.454 4.415 3.960 0.001 0.000 0.445 69 G HA3 0.454 4.415 3.960 0.001 0.000 0.445 69 G C 0.291 174.972 174.900 -0.366 0.000 1.486 69 G CA 0.423 45.088 45.100 -0.725 0.000 0.991 69 G HN 1.885 nan 8.290 nan 0.000 0.660 70 G N -0.763 107.808 108.800 -0.382 0.000 2.227 70 G HA2 0.253 4.214 3.960 0.001 0.000 0.168 70 G HA3 0.253 4.214 3.960 0.001 0.000 0.168 70 G C 0.170 175.059 174.900 -0.018 0.000 1.006 70 G CA 0.872 45.966 45.100 -0.009 0.000 0.684 70 G HN 1.300 nan 8.290 nan 0.000 0.489 71 R N -0.918 119.535 120.500 -0.078 0.000 2.728 71 R HA 0.304 4.645 4.340 0.001 0.000 0.274 71 R C 0.513 176.776 176.300 -0.061 0.000 1.032 71 R CA -0.409 55.666 56.100 -0.042 0.000 0.866 71 R CB -0.085 30.202 30.300 -0.022 0.000 1.263 71 R HN -0.025 nan 8.270 nan 0.000 0.475 72 N N 1.506 120.185 118.700 -0.035 0.000 2.043 72 N HA -0.205 4.535 4.740 0.001 0.000 0.193 72 N C 1.194 176.682 175.510 -0.036 0.000 1.037 72 N CA 2.011 55.041 53.050 -0.033 0.000 0.851 72 N CB -0.000 38.477 38.487 -0.016 0.000 1.027 72 N HN 0.609 nan 8.380 nan 0.000 0.422 73 E N 0.416 120.601 120.200 -0.025 0.000 2.268 73 E HA -0.116 4.234 4.350 0.001 0.000 0.195 73 E C 1.644 178.225 176.600 -0.031 0.000 0.995 73 E CA 0.596 56.985 56.400 -0.018 0.000 0.836 73 E CB -0.359 29.340 29.700 -0.001 0.000 0.763 73 E HN 0.186 nan 8.360 nan 0.000 0.491 74 L N 1.411 122.603 121.223 -0.052 0.000 2.072 74 L HA 0.068 4.409 4.340 0.001 0.000 0.205 74 L C 2.617 179.415 176.870 -0.120 0.000 1.079 74 L CA 1.926 56.717 54.840 -0.082 0.000 0.752 74 L CB -1.227 40.771 42.059 -0.102 0.000 0.906 74 L HN 0.300 nan 8.230 nan 0.000 0.436 75 G N -0.394 108.327 108.800 -0.132 0.000 2.422 75 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 75 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 75 G C 1.746 176.603 174.900 -0.071 0.000 1.140 75 G CA 0.891 45.912 45.100 -0.132 0.000 0.775 75 G HN 0.430 nan 8.290 nan 0.000 0.545 76 R N 0.379 120.850 120.500 -0.048 0.000 2.092 76 R HA 0.137 4.478 4.340 0.001 0.000 0.231 76 R C 2.226 178.514 176.300 -0.021 0.000 1.119 76 R CA 1.176 57.261 56.100 -0.025 0.000 0.970 76 R CB -0.607 29.684 30.300 -0.014 0.000 0.864 76 R HN 0.376 nan 8.270 nan 0.000 0.440 77 I N 1.259 121.811 120.570 -0.031 0.000 2.142 77 I HA -0.263 3.908 4.170 0.001 0.000 0.240 77 I C 1.688 177.790 176.117 -0.024 0.000 1.078 77 I CA 1.368 62.650 61.300 -0.029 0.000 1.343 77 I CB -0.493 37.484 38.000 -0.039 0.000 1.046 77 I HN 0.273 nan 8.210 nan 0.000 0.405 78 N N 0.889 119.564 118.700 -0.042 0.000 2.149 78 N HA -0.218 4.523 4.740 0.001 0.000 0.188 78 N C 1.758 177.270 175.510 0.004 0.000 1.019 78 N CA 1.173 54.207 53.050 -0.028 0.000 0.857 78 N CB -0.280 38.161 38.487 -0.077 0.000 0.997 78 N HN 0.328 nan 8.380 nan 0.000 0.426 79 K N 0.828 121.226 120.400 -0.003 0.000 2.009 79 K HA -0.066 4.255 4.320 0.001 0.000 0.210 79 K C 2.050 178.671 176.600 0.035 0.000 1.049 79 K CA 1.009 57.306 56.287 0.016 0.000 0.929 79 K CB -0.192 32.313 32.500 0.008 0.000 0.714 79 K HN 0.108 nan 8.250 nan 0.000 0.440 80 I N 1.022 121.610 120.570 0.029 0.000 2.208 80 I HA -0.314 3.857 4.170 0.001 0.000 0.245 80 I C 2.300 178.460 176.117 0.071 0.000 1.097 80 I CA 1.198 62.523 61.300 0.043 0.000 1.363 80 I CB -0.231 37.781 38.000 0.021 0.000 1.051 80 I HN 0.195 nan 8.210 nan 0.000 0.413 81 I N 0.741 121.349 120.570 0.062 0.000 2.142 81 I HA -0.309 3.862 4.170 0.001 0.000 0.240 81 I C 2.823 179.026 176.117 0.143 0.000 1.078 81 I CA 1.531 62.896 61.300 0.108 0.000 1.343 81 I CB -0.558 37.490 38.000 0.080 0.000 1.046 81 I HN 0.187 nan 8.210 nan 0.000 0.405 82 A N 1.104 123.983 122.820 0.098 0.000 1.902 82 A HA -0.250 4.071 4.320 0.001 0.000 0.217 82 A C 2.287 179.931 177.584 0.100 0.000 1.181 82 A CA 2.028 54.120 52.037 0.091 0.000 0.623 82 A CB -0.789 18.250 19.000 0.066 0.000 0.818 82 A HN 0.660 nan 8.150 nan 0.000 0.443 83 E N -0.149 120.110 120.200 0.098 0.000 2.072 83 E HA -0.114 4.237 4.350 0.001 0.000 0.191 83 E C 1.741 178.429 176.600 0.148 0.000 0.985 83 E CA 1.579 58.038 56.400 0.098 0.000 0.801 83 E CB -0.556 29.190 29.700 0.077 0.000 0.750 83 E HN 0.298 nan 8.360 nan 0.000 0.452 84 V N 1.921 121.962 119.914 0.211 0.000 2.358 84 V HA -0.208 3.912 4.120 0.001 0.000 0.246 84 V C 2.687 179.018 176.094 0.395 0.000 1.047 84 V CA 1.741 64.253 62.300 0.353 0.000 1.035 84 V CB -0.734 31.334 31.823 0.409 0.000 0.658 84 V HN 0.473 nan 8.190 nan 0.000 0.452 85 A N 0.201 123.185 122.820 0.273 0.000 1.902 85 A HA -0.274 4.046 4.320 0.001 0.000 0.217 85 A C 2.195 179.831 177.584 0.087 0.000 1.181 85 A CA 2.123 54.230 52.037 0.118 0.000 0.623 85 A CB -0.527 18.518 19.000 0.075 0.000 0.818 85 A HN 0.569 nan 8.150 nan 0.000 0.443 86 E N 0.296 120.549 120.200 0.089 0.000 2.058 86 E HA -0.238 4.113 4.350 0.001 0.000 0.194 86 E C 1.992 178.615 176.600 0.038 0.000 0.997 86 E CA 2.021 58.451 56.400 0.050 0.000 0.801 86 E CB -0.274 29.453 29.700 0.045 0.000 0.746 86 E HN 0.581 nan 8.360 nan 0.000 0.450 87 K N -1.264 119.172 120.400 0.060 0.000 2.103 87 K HA -0.152 4.168 4.320 0.001 0.000 0.207 87 K C 1.359 177.854 176.600 -0.176 0.000 1.048 87 K CA 1.513 57.768 56.287 -0.054 0.000 0.930 87 K CB -0.204 32.264 32.500 -0.054 0.000 0.716 87 K HN 0.202 nan 8.250 nan 0.000 0.444 88 F N -0.390 119.533 119.950 -0.044 0.000 2.727 88 F HA 0.232 4.760 4.527 0.002 0.000 0.302 88 F C 1.116 176.849 175.800 -0.113 0.000 1.097 88 F CA 0.465 58.412 58.000 -0.088 0.000 1.330 88 F CB 0.945 39.840 39.000 -0.175 0.000 1.084 88 F HN 0.185 nan 8.300 nan 0.000 0.578 89 G N 2.453 111.275 108.800 0.037 0.000 2.272 89 G HA2 -0.281 3.680 3.960 0.001 0.000 0.280 89 G HA3 -0.281 3.680 3.960 0.001 0.000 0.280 89 G C 0.092 174.961 174.900 -0.052 0.000 1.067 89 G CA 0.398 45.491 45.100 -0.011 0.000 0.902 89 G HN 0.475 nan 8.290 nan 0.000 0.500 90 I N -2.290 118.222 120.570 -0.097 0.000 2.474 90 I HA 0.713 4.884 4.170 0.001 0.000 0.294 90 I C -2.281 173.724 176.117 -0.187 0.000 1.005 90 I CA -3.295 57.898 61.300 -0.178 0.000 1.113 90 I CB 2.268 40.089 38.000 -0.299 0.000 1.289 90 I HN -0.111 nan 8.210 nan 0.000 0.436 91 P HA 0.249 nan 4.420 nan 0.000 0.272 91 P C -0.984 176.204 177.300 -0.187 0.000 1.223 91 P CA -0.332 62.556 63.100 -0.354 0.000 0.784 91 P CB 1.102 32.252 31.700 -0.917 0.000 0.923 92 M N 1.850 121.393 119.600 -0.096 0.000 2.204 92 M HA 0.541 5.022 4.480 0.001 0.000 0.293 92 M C -0.417 175.915 176.300 0.053 0.000 0.994 92 M CA -0.458 54.847 55.300 0.009 0.000 0.925 92 M CB 1.918 34.543 32.600 0.042 0.000 1.577 92 M HN 0.430 nan 8.290 nan 0.000 0.439 93 G N 3.261 112.115 108.800 0.090 0.000 2.420 93 G HA2 0.545 4.506 3.960 0.001 0.000 0.284 93 G HA3 0.545 4.506 3.960 0.001 0.000 0.284 93 G C -0.418 174.555 174.900 0.121 0.000 1.177 93 G CA -0.568 44.602 45.100 0.118 0.000 0.841 93 G HN 0.787 nan 8.290 nan 0.000 0.527 94 V N 0.280 120.280 119.914 0.143 0.000 3.109 94 V HA 0.916 5.037 4.120 0.001 0.000 0.317 94 V C 1.026 177.243 176.094 0.206 0.000 1.074 94 V CA -0.307 62.114 62.300 0.201 0.000 1.033 94 V CB 0.983 33.002 31.823 0.326 0.000 1.111 94 V HN 0.971 nan 8.190 nan 0.000 0.458 95 G N 0.506 109.468 108.800 0.270 0.000 2.684 95 G HA2 0.307 4.268 3.960 0.001 0.000 0.255 95 G HA3 0.307 4.268 3.960 0.001 0.000 0.255 95 G C 0.238 175.298 174.900 0.266 0.000 1.219 95 G CA 0.204 45.451 45.100 0.245 0.000 0.901 95 G HN 1.275 nan 8.290 nan 0.000 0.548 96 S N -1.018 114.786 115.700 0.174 0.000 2.575 96 S HA -0.024 4.446 4.470 0.001 0.000 0.295 96 S C 1.240 175.845 174.600 0.010 0.000 1.267 96 S CA 0.142 58.407 58.200 0.109 0.000 1.074 96 S CB 0.365 63.664 63.200 0.165 0.000 0.829 96 S HN 0.567 nan 8.310 nan 0.000 0.497 97 Q N 3.061 122.712 119.800 -0.248 0.000 2.403 97 Q HA 0.078 4.419 4.340 0.001 0.000 0.203 97 Q C 2.092 177.959 176.000 -0.220 0.000 0.932 97 Q CA -0.134 55.326 55.803 -0.571 0.000 0.945 97 Q CB 0.112 28.437 28.738 -0.688 0.000 1.045 97 Q HN 0.757 nan 8.270 nan 0.000 0.511 98 R N 0.522 120.986 120.500 -0.059 0.000 2.112 98 R HA -0.208 4.132 4.340 0.001 0.000 0.242 98 R C 2.028 178.379 176.300 0.085 0.000 1.137 98 R CA 1.831 57.965 56.100 0.056 0.000 0.944 98 R CB -0.624 29.671 30.300 -0.008 0.000 0.857 98 R HN 0.262 nan 8.270 nan 0.000 0.435 99 V N 0.686 120.654 119.914 0.090 0.000 2.568 99 V HA -0.165 3.956 4.120 0.001 0.000 0.253 99 V C 2.057 178.227 176.094 0.126 0.000 1.072 99 V CA 2.180 64.555 62.300 0.124 0.000 1.084 99 V CB -0.321 31.605 31.823 0.170 0.000 0.676 99 V HN 0.579 nan 8.190 nan 0.000 0.469 100 A N -0.837 122.041 122.820 0.098 0.000 2.132 100 A HA 0.158 4.479 4.320 0.001 0.000 0.213 100 A C 1.949 179.537 177.584 0.007 0.000 1.154 100 A CA 0.756 52.839 52.037 0.076 0.000 0.753 100 A CB -0.231 18.790 19.000 0.034 0.000 0.826 100 A HN 0.486 nan 8.150 nan 0.000 0.469 101 I N 0.085 120.652 120.570 -0.006 0.000 2.277 101 I HA -0.126 4.045 4.170 0.001 0.000 0.243 101 I C 2.147 178.262 176.117 -0.003 0.000 1.094 101 I CA 1.200 62.484 61.300 -0.027 0.000 1.393 101 I CB -1.488 36.483 38.000 -0.048 0.000 1.078 101 I HN 0.423 nan 8.210 nan 0.000 0.417 102 E N 0.896 121.124 120.200 0.047 0.000 2.153 102 E HA -0.133 4.218 4.350 0.001 0.000 0.194 102 E C 0.298 176.920 176.600 0.038 0.000 0.988 102 E CA 0.989 57.418 56.400 0.048 0.000 0.811 102 E CB 0.116 29.860 29.700 0.074 0.000 0.746 102 E HN 0.393 nan 8.360 nan 0.000 0.466 103 K N -0.977 119.451 120.400 0.047 0.000 2.578 103 K HA 0.366 4.687 4.320 0.001 0.000 0.250 103 K C -0.175 176.455 176.600 0.050 0.000 0.955 103 K CA -0.233 56.081 56.287 0.046 0.000 0.825 103 K CB 1.939 34.471 32.500 0.054 0.000 1.151 103 K HN -0.085 nan 8.250 nan 0.000 0.432 104 A N 2.786 125.628 122.820 0.036 0.000 2.019 104 A HA -0.166 4.155 4.320 0.001 0.000 0.219 104 A C 1.331 178.944 177.584 0.049 0.000 1.164 104 A CA 1.451 53.510 52.037 0.037 0.000 0.644 104 A CB -0.307 18.707 19.000 0.023 0.000 0.805 104 A HN 0.823 nan 8.150 nan 0.000 0.449 105 E N 0.387 120.613 120.200 0.045 0.000 2.333 105 E HA 0.020 4.371 4.350 0.001 0.000 0.198 105 E C 1.730 178.365 176.600 0.058 0.000 1.007 105 E CA 1.037 57.463 56.400 0.043 0.000 0.845 105 E CB -0.408 29.311 29.700 0.032 0.000 0.766 105 E HN 0.600 nan 8.360 nan 0.000 0.507 106 A N 0.675 123.548 122.820 0.088 0.000 2.178 106 A HA 0.051 4.372 4.320 0.001 0.000 0.211 106 A C 1.814 179.525 177.584 0.213 0.000 1.157 106 A CA 0.213 52.329 52.037 0.131 0.000 0.780 106 A CB -0.058 19.050 19.000 0.181 0.000 0.828 106 A HN 0.046 nan 8.150 nan 0.000 0.476 107 R N -0.208 120.401 120.500 0.182 0.000 2.091 107 R HA -0.173 4.168 4.340 0.001 0.000 0.238 107 R C 2.080 178.497 176.300 0.194 0.000 1.136 107 R CA 1.550 57.779 56.100 0.214 0.000 0.959 107 R CB -0.194 30.173 30.300 0.112 0.000 0.856 107 R HN 0.517 nan 8.270 nan 0.000 0.437 108 E N 0.916 121.177 120.200 0.103 0.000 2.118 108 E HA -0.159 4.191 4.350 0.001 0.000 0.195 108 E C 1.719 178.334 176.600 0.026 0.000 0.992 108 E CA 1.896 58.333 56.400 0.060 0.000 0.804 108 E CB -0.116 29.603 29.700 0.032 0.000 0.741 108 E HN 0.314 nan 8.360 nan 0.000 0.458 109 S N -1.310 114.368 115.700 -0.035 0.000 2.507 109 S HA -0.075 4.396 4.470 0.001 0.000 0.235 109 S C 1.617 176.012 174.600 -0.341 0.000 0.988 109 S CA 0.766 58.848 58.200 -0.197 0.000 0.944 109 S CB -0.488 62.539 63.200 -0.288 0.000 0.762 109 S HN 0.278 nan 8.310 nan 0.000 0.526 110 F N 1.249 121.211 119.950 0.020 0.000 2.453 110 F HA 0.503 5.030 4.527 0.001 0.000 0.284 110 F C 2.720 178.532 175.800 0.019 0.000 1.065 110 F CA 0.145 58.157 58.000 0.020 0.000 1.411 110 F CB -0.774 38.236 39.000 0.017 0.000 1.131 110 F HN 0.234 nan 8.300 nan 0.000 0.582 111 A N 0.454 123.396 122.820 0.204 0.000 1.940 111 A HA -0.205 4.116 4.320 0.001 0.000 0.219 111 A C 2.099 179.729 177.584 0.078 0.000 1.176 111 A CA 1.602 53.710 52.037 0.118 0.000 0.631 111 A CB -1.067 17.987 19.000 0.090 0.000 0.814 111 A HN 0.334 nan 8.150 nan 0.000 0.446 112 I N -0.052 120.552 120.570 0.056 0.000 2.300 112 I HA -0.225 3.946 4.170 0.001 0.000 0.252 112 I C 2.232 178.373 176.117 0.040 0.000 1.119 112 I CA 1.363 62.683 61.300 0.034 0.000 1.384 112 I CB -0.312 37.694 38.000 0.010 0.000 1.062 112 I HN 0.126 nan 8.210 nan 0.000 0.426 113 V N 0.536 120.483 119.914 0.054 0.000 2.287 113 V HA -0.309 3.812 4.120 0.001 0.000 0.248 113 V C 2.689 178.817 176.094 0.056 0.000 1.053 113 V CA 2.271 64.607 62.300 0.060 0.000 1.027 113 V CB -0.810 31.063 31.823 0.083 0.000 0.646 113 V HN 0.402 nan 8.190 nan 0.000 0.447 114 R N 0.155 120.690 120.500 0.058 0.000 2.193 114 R HA -0.012 4.329 4.340 0.001 0.000 0.213 114 R C 2.138 178.461 176.300 0.038 0.000 1.055 114 R CA 1.142 57.271 56.100 0.047 0.000 0.995 114 R CB -0.358 29.970 30.300 0.047 0.000 0.893 114 R HN 0.440 nan 8.270 nan 0.000 0.459 115 K N -0.832 119.590 120.400 0.037 0.000 2.026 115 K HA -0.076 4.245 4.320 0.001 0.000 0.208 115 K C 1.622 178.239 176.600 0.029 0.000 1.048 115 K CA 1.589 57.895 56.287 0.030 0.000 0.929 115 K CB -0.261 32.256 32.500 0.028 0.000 0.713 115 K HN 0.075 nan 8.250 nan 0.000 0.439 116 V N 0.051 119.985 119.914 0.033 0.000 3.590 116 V HA 0.144 4.265 4.120 0.001 0.000 0.265 116 V C 0.068 176.184 176.094 0.036 0.000 1.239 116 V CA 0.461 62.781 62.300 0.033 0.000 1.117 116 V CB 0.532 32.377 31.823 0.036 0.000 0.818 116 V HN 0.241 nan 8.190 nan 0.000 0.451 117 A N 0.800 123.642 122.820 0.037 0.000 3.216 117 A HA 0.578 4.899 4.320 0.001 0.000 0.321 117 A C -1.694 175.907 177.584 0.029 0.000 1.042 117 A CA -0.723 51.335 52.037 0.035 0.000 0.838 117 A CB 0.467 19.492 19.000 0.041 0.000 1.136 117 A HN 0.287 nan 8.150 nan 0.000 0.483 118 P HA -0.087 nan 4.420 nan 0.000 0.229 118 P C 1.211 178.524 177.300 0.021 0.000 1.160 118 P CA 1.864 64.978 63.100 0.023 0.000 0.777 118 P CB 0.230 31.941 31.700 0.019 0.000 0.814 119 T N -3.164 111.401 114.554 0.018 0.000 3.019 119 T HA 0.151 4.502 4.350 0.001 0.000 0.247 119 T C 1.214 175.923 174.700 0.015 0.000 0.992 119 T CA -0.239 61.871 62.100 0.016 0.000 1.036 119 T CB -1.065 67.810 68.868 0.011 0.000 1.063 119 T HN 0.073 nan 8.240 nan 0.000 0.476 120 I N 1.322 121.895 120.570 0.005 0.000 2.948 120 I HA 0.354 4.525 4.170 0.001 0.000 0.290 120 I C -2.773 173.339 176.117 -0.008 0.000 1.226 120 I CA -2.106 59.185 61.300 -0.016 0.000 1.413 120 I CB -0.358 37.621 38.000 -0.035 0.000 1.352 120 I HN -0.096 nan 8.210 nan 0.000 0.597 121 P HA 0.217 nan 4.420 nan 0.000 0.267 121 P C -0.750 176.540 177.300 -0.016 0.000 1.205 121 P CA 0.144 63.249 63.100 0.008 0.000 0.765 121 P CB 0.443 32.130 31.700 -0.023 0.000 0.828 122 I N 4.760 125.363 120.570 0.055 0.000 2.404 122 I HA 0.348 4.519 4.170 0.001 0.000 0.293 122 I C 0.169 176.350 176.117 0.106 0.000 0.992 122 I CA -0.797 60.541 61.300 0.064 0.000 1.149 122 I CB 1.431 39.468 38.000 0.062 0.000 1.315 122 I HN 0.201 nan 8.210 nan 0.000 0.446 123 I N 4.869 125.510 120.570 0.119 0.000 2.362 123 I HA 0.484 4.655 4.170 0.001 0.000 0.289 123 I C 0.731 176.902 176.117 0.090 0.000 0.994 123 I CA -0.208 61.178 61.300 0.143 0.000 1.158 123 I CB 1.588 39.723 38.000 0.225 0.000 1.315 123 I HN 0.642 nan 8.210 nan 0.000 0.451 124 A N 5.293 128.138 122.820 0.040 0.000 2.366 124 A HA 0.456 4.777 4.320 0.001 0.000 0.250 124 A C 0.108 177.668 177.584 -0.039 0.000 1.099 124 A CA -0.116 51.905 52.037 -0.027 0.000 0.794 124 A CB 0.263 19.212 19.000 -0.085 0.000 1.056 124 A HN 0.775 nan 8.150 nan 0.000 0.499 125 N N -0.121 118.516 118.700 -0.106 0.000 2.503 125 N HA 0.498 5.239 4.740 0.001 0.000 0.287 125 N C -2.039 173.362 175.510 -0.183 0.000 1.096 125 N CA -0.247 52.754 53.050 -0.081 0.000 0.936 125 N CB 1.148 39.656 38.487 0.035 0.000 1.570 125 N HN 0.574 nan 8.380 nan 0.000 0.504 126 L N 1.145 122.206 121.223 -0.270 0.000 2.434 126 L HA 0.576 4.917 4.340 0.001 0.000 0.260 126 L C 0.787 177.312 176.870 -0.576 0.000 0.983 126 L CA -1.079 53.534 54.840 -0.378 0.000 0.820 126 L CB 2.137 43.870 42.059 -0.544 0.000 1.361 126 L HN 0.516 nan 8.230 nan 0.000 0.410 127 G N 0.676 109.035 108.800 -0.734 0.000 2.432 127 G HA2 0.298 4.259 3.960 0.001 0.000 0.257 127 G HA3 0.298 4.259 3.960 0.001 0.000 0.257 127 G C 0.590 175.146 174.900 -0.574 0.000 1.238 127 G CA -0.411 44.004 45.100 -1.141 0.000 0.838 127 G HN 0.719 nan 8.290 nan 0.000 0.547 128 M N 3.566 122.896 119.600 -0.450 0.000 2.144 128 M HA -0.049 4.432 4.480 0.001 0.000 0.260 128 M C -0.303 175.744 176.300 -0.421 0.000 1.067 128 M CA 1.751 56.861 55.300 -0.317 0.000 1.095 128 M CB -0.789 31.682 32.600 -0.216 0.000 1.365 128 M HN 0.373 nan 8.290 nan 0.000 0.406 129 P HA -0.158 nan 4.420 nan 0.000 0.216 129 P C 1.209 178.329 177.300 -0.300 0.000 1.150 129 P CA 1.296 64.143 63.100 -0.421 0.000 0.843 129 P CB -0.132 31.405 31.700 -0.272 0.000 0.787 130 Q N -0.859 118.722 119.800 -0.364 0.000 2.170 130 Q HA -0.075 4.266 4.340 0.001 0.000 0.203 130 Q C 2.104 177.988 176.000 -0.193 0.000 0.976 130 Q CA 1.112 56.632 55.803 -0.471 0.000 0.858 130 Q CB -1.213 26.873 28.738 -1.087 0.000 0.907 130 Q HN 0.258 nan 8.270 nan 0.000 0.433 131 L N -0.788 120.365 121.223 -0.117 0.000 2.191 131 L HA -0.151 4.190 4.340 0.001 0.000 0.212 131 L C 1.694 178.554 176.870 -0.017 0.000 1.103 131 L CA 0.628 55.455 54.840 -0.021 0.000 0.769 131 L CB -0.100 41.914 42.059 -0.075 0.000 0.908 131 L HN 0.116 nan 8.230 nan 0.000 0.438 132 V N -0.923 118.966 119.914 -0.042 0.000 3.052 132 V HA -0.119 4.002 4.120 0.001 0.000 0.254 132 V C 1.492 177.633 176.094 0.079 0.000 1.100 132 V CA 1.129 63.464 62.300 0.057 0.000 1.112 132 V CB -0.127 31.676 31.823 -0.034 0.000 0.738 132 V HN 0.334 nan 8.190 nan 0.000 0.469 133 K N -0.139 120.282 120.400 0.035 0.000 2.570 133 K HA 0.442 4.763 4.320 0.001 0.000 0.210 133 K C 1.132 177.812 176.600 0.133 0.000 1.048 133 K CA 0.580 56.898 56.287 0.053 0.000 1.167 133 K CB 0.757 33.257 32.500 0.000 0.000 0.892 133 K HN 0.414 nan 8.250 nan 0.000 0.480 134 G N 0.223 109.121 108.800 0.165 0.000 2.491 134 G HA2 -0.265 3.696 3.960 0.001 0.000 0.203 134 G HA3 -0.265 3.696 3.960 0.001 0.000 0.203 134 G C -0.280 174.748 174.900 0.213 0.000 1.052 134 G CA -0.711 44.494 45.100 0.176 0.000 0.675 134 G HN 0.187 nan 8.290 nan 0.000 0.504 135 Y N 2.249 122.571 120.300 0.036 0.000 2.904 135 Y HA 0.372 4.922 4.550 0.001 0.000 0.336 135 Y C 1.321 177.251 175.900 0.050 0.000 1.263 135 Y CA 1.406 59.547 58.100 0.068 0.000 1.547 135 Y CB 0.717 39.242 38.460 0.108 0.000 1.272 135 Y HN 0.629 nan 8.280 nan 0.000 0.596 136 G N 0.975 109.857 108.800 0.137 0.000 2.846 136 G HA2 0.303 4.264 3.960 0.001 0.000 0.299 136 G HA3 0.303 4.264 3.960 0.001 0.000 0.299 136 G C -0.033 174.849 174.900 -0.031 0.000 1.242 136 G CA -0.592 44.498 45.100 -0.018 0.000 0.800 136 G HN 0.581 nan 8.290 nan 0.000 0.538 137 L N 0.175 121.323 121.223 -0.125 0.000 2.064 137 L HA -0.124 4.217 4.340 0.001 0.000 0.216 137 L C 2.585 179.469 176.870 0.023 0.000 1.077 137 L CA 3.084 57.868 54.840 -0.093 0.000 0.766 137 L CB -0.331 41.671 42.059 -0.095 0.000 0.890 137 L HN 0.576 nan 8.230 nan 0.000 0.435 138 K N -0.214 120.189 120.400 0.004 0.000 2.103 138 K HA -0.150 4.171 4.320 0.001 0.000 0.204 138 K C 1.919 178.525 176.600 0.010 0.000 1.052 138 K CA 1.688 57.974 56.287 -0.001 0.000 0.945 138 K CB -0.233 32.247 32.500 -0.032 0.000 0.722 138 K HN 0.416 nan 8.250 nan 0.000 0.443 139 E N -0.404 119.802 120.200 0.010 0.000 2.110 139 E HA -0.063 4.287 4.350 0.001 0.000 0.193 139 E C 1.751 178.404 176.600 0.087 0.000 0.988 139 E CA 1.365 57.745 56.400 -0.034 0.000 0.804 139 E CB -0.300 29.279 29.700 -0.201 0.000 0.745 139 E HN 0.314 nan 8.360 nan 0.000 0.458 140 F N 1.064 120.990 119.950 -0.040 0.000 2.075 140 F HA -0.241 4.287 4.527 0.002 0.000 0.297 140 F C 2.465 178.238 175.800 -0.046 0.000 1.113 140 F CA 1.312 59.293 58.000 -0.032 0.000 1.218 140 F CB -0.123 38.856 39.000 -0.034 0.000 0.984 140 F HN 0.013 nan 8.300 nan 0.000 0.472 141 Q N -0.006 119.878 119.800 0.141 0.000 2.124 141 Q HA -0.219 4.122 4.340 0.001 0.000 0.202 141 Q C 1.724 177.728 176.000 0.006 0.000 0.977 141 Q CA 1.637 57.471 55.803 0.052 0.000 0.850 141 Q CB -0.243 28.513 28.738 0.030 0.000 0.901 141 Q HN 0.360 nan 8.270 nan 0.000 0.429 142 D N 0.356 120.750 120.400 -0.010 0.000 2.117 142 D HA -0.141 4.500 4.640 0.001 0.000 0.197 142 D C 1.768 178.029 176.300 -0.065 0.000 0.987 142 D CA 1.375 55.351 54.000 -0.040 0.000 0.829 142 D CB -0.232 40.534 40.800 -0.057 0.000 0.961 142 D HN 0.276 nan 8.370 nan 0.000 0.460 143 A N 0.605 123.367 122.820 -0.096 0.000 1.877 143 A HA -0.135 4.186 4.320 0.001 0.000 0.216 143 A C 2.387 179.907 177.584 -0.107 0.000 1.186 143 A CA 0.944 52.889 52.037 -0.153 0.000 0.620 143 A CB -0.718 18.145 19.000 -0.229 0.000 0.822 143 A HN 0.176 nan 8.150 nan 0.000 0.443 144 I N 0.097 120.627 120.570 -0.067 0.000 2.142 144 I HA -0.309 3.862 4.170 0.001 0.000 0.240 144 I C 2.716 178.822 176.117 -0.019 0.000 1.078 144 I CA 1.877 63.156 61.300 -0.034 0.000 1.343 144 I CB -0.360 37.634 38.000 -0.010 0.000 1.046 144 I HN 0.573 nan 8.210 nan 0.000 0.405 145 Q N 0.724 120.515 119.800 -0.015 0.000 2.435 145 Q HA -0.149 4.192 4.340 0.001 0.000 0.207 145 Q C 1.976 177.975 176.000 -0.001 0.000 0.956 145 Q CA 1.253 57.053 55.803 -0.005 0.000 0.917 145 Q CB -0.760 27.976 28.738 -0.004 0.000 0.997 145 Q HN 0.555 nan 8.270 nan 0.000 0.497 146 M N 0.692 120.286 119.600 -0.010 0.000 2.374 146 M HA 0.055 4.535 4.480 0.001 0.000 0.264 146 M C 0.879 177.199 176.300 0.033 0.000 1.067 146 M CA 1.430 56.732 55.300 0.004 0.000 1.103 146 M CB 0.206 32.791 32.600 -0.025 0.000 1.402 146 M HN 0.522 nan 8.290 nan 0.000 0.444 147 I N -4.078 116.509 120.570 0.028 0.000 4.390 147 I HA 0.312 4.483 4.170 0.001 0.000 0.334 147 I C -0.715 175.425 176.117 0.038 0.000 1.379 147 I CA -0.378 60.952 61.300 0.050 0.000 1.197 147 I CB -0.034 38.010 38.000 0.073 0.000 1.396 147 I HN 0.101 nan 8.210 nan 0.000 0.511 148 E N 2.176 122.391 120.200 0.025 0.000 2.228 148 E HA -0.200 4.151 4.350 0.001 0.000 0.213 148 E C 0.576 177.192 176.600 0.027 0.000 1.282 148 E CA 0.359 56.772 56.400 0.022 0.000 0.707 148 E CB -0.973 28.741 29.700 0.024 0.000 1.150 148 E HN 0.731 nan 8.360 nan 0.000 0.362 149 A N 0.868 123.702 122.820 0.023 0.000 2.483 149 A HA 0.020 4.340 4.320 0.001 0.000 0.238 149 A C 0.986 178.589 177.584 0.030 0.000 1.070 149 A CA 0.189 52.246 52.037 0.032 0.000 0.770 149 A CB 0.377 19.388 19.000 0.018 0.000 1.008 149 A HN 0.317 nan 8.150 nan 0.000 0.497 150 D N 0.222 120.659 120.400 0.061 0.000 2.354 150 D HA 0.361 5.001 4.640 0.001 0.000 0.209 150 D C 0.489 176.774 176.300 -0.025 0.000 1.015 150 D CA 1.432 55.467 54.000 0.058 0.000 0.867 150 D CB 0.406 41.300 40.800 0.157 0.000 0.933 150 D HN 0.726 nan 8.370 nan 0.000 0.520 151 A N 0.414 123.233 122.820 -0.001 0.000 2.566 151 A HA 0.580 4.901 4.320 0.001 0.000 0.290 151 A C -1.860 175.722 177.584 -0.004 0.000 1.071 151 A CA -0.668 51.316 52.037 -0.088 0.000 0.658 151 A CB 1.236 20.148 19.000 -0.147 0.000 1.285 151 A HN 0.068 nan 8.150 nan 0.000 0.427 152 I N 0.727 121.286 120.570 -0.019 0.000 2.436 152 I HA 0.701 4.871 4.170 0.001 0.000 0.289 152 I C 0.175 176.303 176.117 0.018 0.000 1.010 152 I CA -0.654 60.638 61.300 -0.014 0.000 1.098 152 I CB 1.558 39.526 38.000 -0.054 0.000 1.266 152 I HN 0.995 nan 8.210 nan 0.000 0.434 153 A N 7.198 130.033 122.820 0.026 0.000 2.289 153 A HA 0.636 4.957 4.320 0.001 0.000 0.298 153 A C -0.870 176.712 177.584 -0.004 0.000 1.208 153 A CA -0.404 51.669 52.037 0.060 0.000 0.845 153 A CB 0.882 19.947 19.000 0.107 0.000 1.125 153 A HN 0.497 nan 8.150 nan 0.000 0.517 154 V N 5.783 125.707 119.914 0.017 0.000 2.347 154 V HA 0.262 4.383 4.120 0.001 0.000 0.280 154 V C 0.241 176.340 176.094 0.008 0.000 1.021 154 V CA -0.594 61.680 62.300 -0.043 0.000 0.847 154 V CB 0.804 32.646 31.823 0.032 0.000 0.990 154 V HN 1.010 nan 8.190 nan 0.000 0.444 155 H N 5.212 124.281 119.070 -0.001 0.000 2.487 155 H HA 0.632 5.189 4.556 0.001 0.000 0.333 155 H C -1.168 174.197 175.328 0.061 0.000 1.114 155 H CA -0.968 55.088 56.048 0.014 0.000 1.310 155 H CB 1.487 31.224 29.762 -0.041 0.000 1.462 155 H HN 0.449 nan 8.280 nan 0.000 0.516 156 L N 3.200 124.582 121.223 0.265 0.000 2.282 156 L HA 0.222 4.563 4.340 0.001 0.000 0.288 156 L C 0.338 177.343 176.870 0.225 0.000 1.033 156 L CA -0.384 54.630 54.840 0.290 0.000 0.807 156 L CB 1.005 43.189 42.059 0.207 0.000 1.209 156 L HN 0.854 nan 8.230 nan 0.000 0.423 157 N N 1.522 120.384 118.700 0.269 0.000 2.598 157 N HA 0.174 4.915 4.740 0.001 0.000 0.295 157 N C -2.355 173.186 175.510 0.051 0.000 1.729 157 N CA -0.975 52.138 53.050 0.105 0.000 0.877 157 N CB 0.775 39.271 38.487 0.016 0.000 1.405 157 N HN 0.254 nan 8.380 nan 0.000 0.491 158 P HA -0.147 nan 4.420 nan 0.000 0.217 158 P C 1.530 178.743 177.300 -0.144 0.000 1.150 158 P CA 1.352 64.267 63.100 -0.309 0.000 0.832 158 P CB 0.249 31.487 31.700 -0.770 0.000 0.787 159 A N 0.521 123.304 122.820 -0.062 0.000 1.883 159 A HA -0.262 4.058 4.320 0.001 0.000 0.217 159 A C 2.543 180.193 177.584 0.111 0.000 1.186 159 A CA 2.073 54.120 52.037 0.017 0.000 0.624 159 A CB -1.696 17.403 19.000 0.165 0.000 0.822 159 A HN 0.219 nan 8.150 nan 0.000 0.444 160 Q N -0.889 118.979 119.800 0.114 0.000 2.050 160 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 160 Q C 1.941 177.993 176.000 0.086 0.000 0.980 160 Q CA 1.682 57.569 55.803 0.141 0.000 0.840 160 Q CB -0.154 28.622 28.738 0.063 0.000 0.898 160 Q HN 0.646 nan 8.270 nan 0.000 0.424 161 E N -0.037 120.186 120.200 0.038 0.000 2.058 161 E HA -0.170 4.181 4.350 0.001 0.000 0.194 161 E C 2.191 178.741 176.600 -0.083 0.000 0.997 161 E CA 1.110 57.522 56.400 0.020 0.000 0.801 161 E CB -0.457 29.294 29.700 0.086 0.000 0.746 161 E HN 0.237 nan 8.360 nan 0.000 0.450 162 V N 0.613 120.400 119.914 -0.212 0.000 2.282 162 V HA -0.260 3.861 4.120 0.001 0.000 0.249 162 V C 2.022 177.770 176.094 -0.577 0.000 1.057 162 V CA 1.931 63.939 62.300 -0.487 0.000 1.032 162 V CB -0.481 30.860 31.823 -0.802 0.000 0.645 162 V HN 0.146 nan 8.190 nan 0.000 0.447 163 F N -1.280 118.569 119.950 -0.169 0.000 2.714 163 F HA 0.221 4.749 4.527 0.001 0.000 0.294 163 F C 1.388 177.124 175.800 -0.107 0.000 1.120 163 F CA -0.182 57.716 58.000 -0.170 0.000 1.398 163 F CB -0.186 38.718 39.000 -0.160 0.000 1.120 163 F HN 0.085 nan 8.300 nan 0.000 0.589 164 Q N 3.135 122.987 119.800 0.087 0.000 2.286 164 Q HA -0.041 4.300 4.340 0.001 0.000 0.290 164 Q C -1.524 174.483 176.000 0.012 0.000 1.049 164 Q CA -1.209 54.642 55.803 0.080 0.000 0.923 164 Q CB 0.998 29.791 28.738 0.092 0.000 1.183 164 Q HN -0.026 nan 8.270 nan 0.000 0.383 165 P HA -0.230 nan 4.420 nan 0.000 0.215 165 P C 0.210 177.502 177.300 -0.014 0.000 1.157 165 P CA 1.553 64.640 63.100 -0.022 0.000 0.874 165 P CB 0.021 31.718 31.700 -0.006 0.000 0.790 166 E N 0.422 120.626 120.200 0.007 0.000 2.349 166 E HA 0.189 4.540 4.350 0.001 0.000 0.201 166 E C 0.577 177.182 176.600 0.008 0.000 1.087 166 E CA -0.424 55.980 56.400 0.007 0.000 1.128 166 E CB -0.750 28.956 29.700 0.011 0.000 1.188 166 E HN -0.013 nan 8.360 nan 0.000 0.445 167 G N 0.810 109.610 108.800 0.000 0.000 2.483 167 G HA2 0.168 4.129 3.960 0.001 0.000 0.248 167 G HA3 0.168 4.129 3.960 0.001 0.000 0.248 167 G C -0.601 174.297 174.900 -0.004 0.000 1.248 167 G CA -0.532 44.570 45.100 0.004 0.000 0.838 167 G HN 0.203 nan 8.290 nan 0.000 0.566 168 E N 1.944 122.150 120.200 0.011 0.000 2.376 168 E HA 0.220 4.570 4.350 0.001 0.000 0.236 168 E C -2.245 174.381 176.600 0.043 0.000 0.962 168 E CA -1.566 54.838 56.400 0.006 0.000 0.768 168 E CB 2.057 31.747 29.700 -0.016 0.000 1.236 168 E HN 0.254 nan 8.360 nan 0.000 0.431 169 P HA 0.103 nan 4.420 nan 0.000 0.219 169 P C -1.064 176.335 177.300 0.166 0.000 1.832 169 P CA -0.254 62.917 63.100 0.118 0.000 1.014 169 P CB 0.321 32.014 31.700 -0.012 0.000 1.939 170 E N 1.777 122.071 120.200 0.157 0.000 2.145 170 E HA 0.241 4.592 4.350 0.001 0.000 0.262 170 E C -0.789 175.783 176.600 -0.046 0.000 0.883 170 E CA -0.552 55.882 56.400 0.056 0.000 0.748 170 E CB 1.301 30.970 29.700 -0.052 0.000 1.140 170 E HN 0.297 nan 8.360 nan 0.000 0.417 171 Y N 0.815 121.113 120.300 -0.003 0.000 2.685 171 Y HA 0.122 4.673 4.550 0.001 0.000 0.257 171 Y C -0.002 175.904 175.900 0.009 0.000 1.053 171 Y CA -0.606 57.494 58.100 -0.001 0.000 1.106 171 Y CB 0.757 39.217 38.460 -0.000 0.000 1.193 171 Y HN 0.306 nan 8.280 nan 0.000 0.602 172 Q N 0.527 120.384 119.800 0.095 0.000 2.349 172 Q HA 0.002 4.343 4.340 0.001 0.000 0.287 172 Q C 1.564 177.612 176.000 0.079 0.000 1.044 172 Q CA 0.192 56.052 55.803 0.095 0.000 0.918 172 Q CB 0.800 29.596 28.738 0.098 0.000 1.242 172 Q HN 0.534 nan 8.270 nan 0.000 0.405 173 I N 2.211 122.823 120.570 0.071 0.000 2.399 173 I HA -0.332 3.839 4.170 0.001 0.000 0.254 173 I C 1.559 177.673 176.117 -0.006 0.000 1.146 173 I CA 1.418 62.725 61.300 0.012 0.000 1.412 173 I CB -0.319 37.713 38.000 0.054 0.000 1.076 173 I HN 0.843 nan 8.210 nan 0.000 0.432 174 Y N 1.229 121.504 120.300 -0.041 0.000 2.173 174 Y HA -0.407 4.143 4.550 0.001 0.000 0.282 174 Y C 2.355 178.210 175.900 -0.075 0.000 1.192 174 Y CA 2.039 60.115 58.100 -0.039 0.000 1.176 174 Y CB -0.493 37.951 38.460 -0.026 0.000 0.969 174 Y HN 0.249 nan 8.280 nan 0.000 0.519 175 A N 0.345 123.037 122.820 -0.213 0.000 1.978 175 A HA -0.167 4.154 4.320 0.001 0.000 0.220 175 A C 2.260 179.639 177.584 -0.341 0.000 1.170 175 A CA 1.821 53.675 52.037 -0.305 0.000 0.636 175 A CB -0.949 17.945 19.000 -0.177 0.000 0.810 175 A HN 0.607 nan 8.150 nan 0.000 0.448 176 L N -1.264 119.741 121.223 -0.364 0.000 2.095 176 L HA -0.141 4.200 4.340 0.001 0.000 0.204 176 L C 2.523 179.181 176.870 -0.354 0.000 1.080 176 L CA 1.405 55.948 54.840 -0.495 0.000 0.759 176 L CB -0.636 40.816 42.059 -1.012 0.000 0.914 176 L HN 0.444 nan 8.230 nan 0.000 0.439 177 E N 0.336 120.389 120.200 -0.246 0.000 2.085 177 E HA -0.285 4.065 4.350 0.001 0.000 0.194 177 E C 2.130 178.622 176.600 -0.181 0.000 0.994 177 E CA 1.450 57.825 56.400 -0.042 0.000 0.801 177 E CB 0.007 29.694 29.700 -0.021 0.000 0.743 177 E HN 0.273 nan 8.360 nan 0.000 0.453 178 K N 0.596 120.764 120.400 -0.386 0.000 2.057 178 K HA -0.094 4.227 4.320 0.001 0.000 0.206 178 K C 2.116 178.532 176.600 -0.306 0.000 1.050 178 K CA 0.757 56.807 56.287 -0.394 0.000 0.935 178 K CB -0.071 32.090 32.500 -0.566 0.000 0.715 178 K HN 0.095 nan 8.250 nan 0.000 0.439 179 L N 0.960 122.017 121.223 -0.278 0.000 2.046 179 L HA -0.207 4.133 4.340 0.001 0.000 0.208 179 L C 2.738 179.504 176.870 -0.174 0.000 1.077 179 L CA 1.452 56.146 54.840 -0.243 0.000 0.747 179 L CB -0.381 41.584 42.059 -0.157 0.000 0.896 179 L HN 0.323 nan 8.230 nan 0.000 0.432 180 R N -0.069 120.378 120.500 -0.090 0.000 2.092 180 R HA -0.183 4.158 4.340 0.001 0.000 0.231 180 R C 1.686 177.940 176.300 -0.077 0.000 1.119 180 R CA 1.787 57.870 56.100 -0.030 0.000 0.970 180 R CB -0.220 30.135 30.300 0.092 0.000 0.864 180 R HN 0.383 nan 8.270 nan 0.000 0.440 181 D N 0.848 121.187 120.400 -0.103 0.000 2.084 181 D HA -0.153 4.488 4.640 0.001 0.000 0.194 181 D C 2.012 178.221 176.300 -0.152 0.000 0.990 181 D CA 1.431 55.362 54.000 -0.115 0.000 0.826 181 D CB -0.316 40.412 40.800 -0.121 0.000 0.971 181 D HN 0.275 nan 8.370 nan 0.000 0.453 182 I N 1.185 121.616 120.570 -0.232 0.000 2.194 182 I HA -0.310 3.861 4.170 0.001 0.000 0.246 182 I C 2.438 178.430 176.117 -0.207 0.000 1.093 182 I CA 1.458 62.579 61.300 -0.298 0.000 1.355 182 I CB -0.329 37.314 38.000 -0.595 0.000 1.046 182 I HN 0.026 nan 8.210 nan 0.000 0.413 183 S N 0.656 116.256 115.700 -0.167 0.000 2.419 183 S HA -0.152 4.319 4.470 0.001 0.000 0.233 183 S C 1.959 176.505 174.600 -0.089 0.000 1.016 183 S CA 0.641 58.776 58.200 -0.109 0.000 0.974 183 S CB -0.224 62.924 63.200 -0.087 0.000 0.786 183 S HN 0.296 nan 8.310 nan 0.000 0.492 184 K N 1.239 121.586 120.400 -0.089 0.000 2.063 184 K HA -0.009 4.312 4.320 0.001 0.000 0.208 184 K C 1.878 178.438 176.600 -0.066 0.000 1.048 184 K CA 1.675 57.919 56.287 -0.072 0.000 0.928 184 K CB -0.511 31.949 32.500 -0.068 0.000 0.713 184 K HN 0.481 nan 8.250 nan 0.000 0.442 185 E N -0.127 120.029 120.200 -0.075 0.000 2.474 185 E HA 0.093 4.444 4.350 0.001 0.000 0.195 185 E C -0.558 176.010 176.600 -0.053 0.000 1.039 185 E CA -0.102 56.261 56.400 -0.062 0.000 0.881 185 E CB 0.253 29.913 29.700 -0.068 0.000 0.970 185 E HN -0.067 nan 8.360 nan 0.000 0.486 186 L N 0.407 121.596 121.223 -0.056 0.000 2.325 186 L HA 0.214 4.555 4.340 0.001 0.000 0.279 186 L C 1.122 177.965 176.870 -0.044 0.000 1.054 186 L CA 0.162 54.980 54.840 -0.037 0.000 0.804 186 L CB 1.560 43.604 42.059 -0.026 0.000 1.200 186 L HN 0.015 nan 8.230 nan 0.000 0.436 187 S N 1.475 117.154 115.700 -0.036 0.000 2.496 187 S HA 0.101 4.572 4.470 0.001 0.000 0.224 187 S C 0.390 174.950 174.600 -0.068 0.000 0.996 187 S CA 0.276 58.450 58.200 -0.044 0.000 0.927 187 S CB -0.482 62.700 63.200 -0.031 0.000 0.774 187 S HN 0.424 nan 8.310 nan 0.000 0.524 188 V N -1.574 118.290 119.914 -0.082 0.000 2.960 188 V HA 0.739 4.860 4.120 0.001 0.000 0.315 188 V C -2.981 172.995 176.094 -0.198 0.000 1.087 188 V CA -2.879 59.333 62.300 -0.147 0.000 0.982 188 V CB 1.399 33.147 31.823 -0.124 0.000 1.039 188 V HN -0.027 nan 8.190 nan 0.000 0.437 189 P HA 0.495 nan 4.420 nan 0.000 0.276 189 P C -0.780 176.360 177.300 -0.267 0.000 1.244 189 P CA -0.297 62.578 63.100 -0.374 0.000 0.801 189 P CB 1.062 32.349 31.700 -0.690 0.000 1.006 190 I N 1.608 122.093 120.570 -0.141 0.000 2.359 190 I HA 0.334 4.504 4.170 0.001 0.000 0.294 190 I C 0.397 176.503 176.117 -0.018 0.000 0.987 190 I CA -0.816 60.459 61.300 -0.042 0.000 1.225 190 I CB 0.942 38.945 38.000 0.004 0.000 1.366 190 I HN 0.110 nan 8.210 nan 0.000 0.466 191 I N 6.524 127.121 120.570 0.046 0.000 2.359 191 I HA 0.325 4.496 4.170 0.001 0.000 0.294 191 I C -0.435 175.715 176.117 0.055 0.000 0.987 191 I CA -0.858 60.490 61.300 0.081 0.000 1.225 191 I CB 1.714 39.837 38.000 0.204 0.000 1.366 191 I HN 0.160 nan 8.210 nan 0.000 0.466 192 V N 6.771 126.692 119.914 0.012 0.000 2.370 192 V HA 0.350 4.471 4.120 0.001 0.000 0.279 192 V C 0.025 176.225 176.094 0.176 0.000 1.029 192 V CA -0.610 61.746 62.300 0.093 0.000 0.870 192 V CB 1.140 33.028 31.823 0.110 0.000 0.984 192 V HN 0.774 nan 8.190 nan 0.000 0.451 193 K N 3.468 123.970 120.400 0.170 0.000 2.318 193 K HA 0.710 5.031 4.320 0.001 0.000 0.249 193 K C -0.455 176.240 176.600 0.158 0.000 0.942 193 K CA -0.853 55.536 56.287 0.170 0.000 0.808 193 K CB 2.743 35.332 32.500 0.149 0.000 1.189 193 K HN 0.393 nan 8.250 nan 0.000 0.428 194 E N 0.612 120.889 120.200 0.128 0.000 3.188 194 E HA 0.202 4.552 4.350 0.001 0.000 0.262 194 E C -0.457 176.173 176.600 0.050 0.000 1.341 194 E CA -0.108 56.351 56.400 0.098 0.000 1.140 194 E CB 1.160 30.910 29.700 0.083 0.000 1.306 194 E HN 0.757 nan 8.360 nan 0.000 0.694 195 S N -1.412 114.296 115.700 0.014 0.000 2.539 195 S HA 0.454 4.924 4.470 0.001 0.000 0.185 195 S C 0.472 175.108 174.600 0.060 0.000 1.181 195 S CA 0.065 58.220 58.200 -0.075 0.000 1.216 195 S CB 0.254 63.256 63.200 -0.330 0.000 1.476 195 S HN 0.749 nan 8.310 nan 0.000 0.395 196 G N 1.977 110.858 108.800 0.135 0.000 2.201 196 G HA2 -0.219 3.742 3.960 0.001 0.000 0.212 196 G HA3 -0.219 3.742 3.960 0.001 0.000 0.212 196 G C 0.486 175.465 174.900 0.132 0.000 0.994 196 G CA 0.155 45.372 45.100 0.195 0.000 0.644 196 G HN 0.548 nan 8.290 nan 0.000 0.508 197 N N 0.735 119.502 118.700 0.112 0.000 2.159 197 N HA 0.399 5.139 4.740 0.001 0.000 0.217 197 N C 0.980 176.512 175.510 0.036 0.000 1.223 197 N CA 1.036 54.150 53.050 0.107 0.000 0.896 197 N CB 1.672 40.288 38.487 0.215 0.000 1.064 197 N HN 1.558 nan 8.380 nan 0.000 0.518 198 G N 1.736 110.550 108.800 0.022 0.000 2.733 198 G HA2 -0.205 3.756 3.960 0.001 0.000 0.686 198 G HA3 -0.205 3.756 3.960 0.001 0.000 0.686 198 G C -0.809 174.093 174.900 0.004 0.000 1.373 198 G CA -0.746 44.343 45.100 -0.019 0.000 0.838 198 G HN 0.132 nan 8.290 nan 0.000 0.588 199 I N 1.637 122.203 120.570 -0.008 0.000 2.354 199 I HA 0.475 4.646 4.170 0.001 0.000 0.292 199 I C 1.053 177.157 176.117 -0.021 0.000 0.989 199 I CA -0.388 60.913 61.300 0.002 0.000 1.188 199 I CB 1.774 39.775 38.000 0.003 0.000 1.342 199 I HN 0.833 nan 8.210 nan 0.000 0.457 200 S N 6.059 121.765 115.700 0.010 0.000 2.693 200 S HA 0.341 4.812 4.470 0.001 0.000 0.276 200 S C 1.139 175.743 174.600 0.007 0.000 1.192 200 S CA -0.853 57.368 58.200 0.035 0.000 0.994 200 S CB 1.330 64.568 63.200 0.063 0.000 1.012 200 S HN 0.819 nan 8.310 nan 0.000 0.550 201 M N -0.594 119.027 119.600 0.035 0.000 2.213 201 M HA -0.043 4.438 4.480 0.001 0.000 0.263 201 M C 1.257 177.574 176.300 0.029 0.000 1.062 201 M CA 1.760 57.073 55.300 0.022 0.000 1.105 201 M CB -0.959 31.680 32.600 0.066 0.000 1.385 201 M HN 0.656 nan 8.290 nan 0.000 0.417 202 E N 1.339 121.567 120.200 0.047 0.000 2.051 202 E HA -0.104 4.247 4.350 0.001 0.000 0.192 202 E C 2.062 178.707 176.600 0.075 0.000 0.991 202 E CA 2.269 58.707 56.400 0.063 0.000 0.799 202 E CB -0.646 29.093 29.700 0.064 0.000 0.748 202 E HN 0.530 nan 8.360 nan 0.000 0.449 203 T N 0.359 114.952 114.554 0.065 0.000 2.737 203 T HA -0.127 4.224 4.350 0.001 0.000 0.265 203 T C 1.923 176.681 174.700 0.098 0.000 1.038 203 T CA 1.312 63.465 62.100 0.088 0.000 1.144 203 T CB -0.379 68.538 68.868 0.081 0.000 0.866 203 T HN 0.281 nan 8.240 nan 0.000 0.434 204 A N 1.592 124.406 122.820 -0.010 0.000 1.902 204 A HA -0.124 4.196 4.320 0.001 0.000 0.217 204 A C 2.249 179.867 177.584 0.057 0.000 1.181 204 A CA 1.679 53.620 52.037 -0.160 0.000 0.623 204 A CB -0.436 18.256 19.000 -0.514 0.000 0.818 204 A HN 0.441 nan 8.150 nan 0.000 0.443 205 K N -0.993 119.450 120.400 0.071 0.000 2.097 205 K HA -0.076 4.245 4.320 0.001 0.000 0.205 205 K C 1.901 178.655 176.600 0.257 0.000 1.050 205 K CA 1.233 57.614 56.287 0.157 0.000 0.938 205 K CB -0.311 32.250 32.500 0.103 0.000 0.718 205 K HN 0.389 nan 8.250 nan 0.000 0.442 206 L N 1.339 122.698 121.223 0.226 0.000 1.994 206 L HA -0.168 4.173 4.340 0.001 0.000 0.208 206 L C 1.845 178.940 176.870 0.376 0.000 1.071 206 L CA 1.623 56.630 54.840 0.278 0.000 0.745 206 L CB -0.367 41.819 42.059 0.212 0.000 0.892 206 L HN 0.126 nan 8.230 nan 0.000 0.431 207 L N -1.850 119.585 121.223 0.354 0.000 2.079 207 L HA -0.262 4.079 4.340 0.001 0.000 0.210 207 L C 2.494 179.624 176.870 0.434 0.000 1.081 207 L CA 1.518 56.591 54.840 0.388 0.000 0.752 207 L CB -0.828 41.515 42.059 0.473 0.000 0.896 207 L HN 0.365 nan 8.230 nan 0.000 0.433 208 Y N 0.912 121.429 120.300 0.361 0.000 2.200 208 Y HA -0.279 4.272 4.550 0.001 0.000 0.290 208 Y C 2.941 178.947 175.900 0.178 0.000 1.137 208 Y CA 1.418 59.693 58.100 0.292 0.000 1.163 208 Y CB -0.269 38.360 38.460 0.282 0.000 0.988 208 Y HN 0.254 nan 8.280 nan 0.000 0.518 209 S N -1.192 114.638 115.700 0.215 0.000 2.440 209 S HA -0.248 4.223 4.470 0.001 0.000 0.238 209 S C 1.210 175.717 174.600 -0.154 0.000 1.010 209 S CA 1.267 59.471 58.200 0.007 0.000 0.972 209 S CB -1.023 62.210 63.200 0.054 0.000 0.774 209 S HN 0.543 nan 8.310 nan 0.000 0.501 210 Y N 1.564 121.854 120.300 -0.017 0.000 2.571 210 Y HA 0.449 5.000 4.550 0.001 0.000 0.275 210 Y C 1.771 177.620 175.900 -0.085 0.000 1.179 210 Y CA -0.239 57.837 58.100 -0.041 0.000 1.242 210 Y CB 0.195 38.650 38.460 -0.009 0.000 1.126 210 Y HN 0.413 nan 8.280 nan 0.000 0.524 211 G N 0.146 108.907 108.800 -0.065 0.000 2.157 211 G HA2 -0.237 3.724 3.960 0.001 0.000 0.248 211 G HA3 -0.237 3.724 3.960 0.001 0.000 0.248 211 G C -0.072 174.779 174.900 -0.082 0.000 0.979 211 G CA -0.239 44.782 45.100 -0.131 0.000 0.650 211 G HN 0.122 nan 8.290 nan 0.000 0.529 212 I N 0.305 120.869 120.570 -0.010 0.000 2.352 212 I HA 0.356 4.527 4.170 0.001 0.000 0.290 212 I C 1.051 177.142 176.117 -0.044 0.000 1.036 212 I CA 0.225 61.488 61.300 -0.062 0.000 1.336 212 I CB 1.346 39.300 38.000 -0.076 0.000 1.407 212 I HN 0.058 nan 8.210 nan 0.000 0.497 213 K N 3.620 123.954 120.400 -0.109 0.000 2.402 213 K HA 0.215 4.536 4.320 0.001 0.000 0.203 213 K C -0.247 176.304 176.600 -0.081 0.000 1.077 213 K CA 0.166 56.500 56.287 0.078 0.000 1.051 213 K CB 0.534 33.127 32.500 0.154 0.000 0.907 213 K HN 0.497 nan 8.250 nan 0.000 0.554 214 N N 0.733 119.218 118.700 -0.358 0.000 2.399 214 N HA 0.303 5.044 4.740 0.001 0.000 0.280 214 N C -1.235 174.024 175.510 -0.418 0.000 1.008 214 N CA -0.262 52.714 53.050 -0.124 0.000 0.894 214 N CB 1.262 39.881 38.487 0.221 0.000 1.273 214 N HN -0.138 nan 8.380 nan 0.000 0.486 215 F N -0.028 120.001 119.950 0.132 0.000 2.563 215 F HA 0.314 4.842 4.527 0.002 0.000 0.316 215 F C 0.168 175.988 175.800 0.033 0.000 1.076 215 F CA -0.983 57.068 58.000 0.085 0.000 0.921 215 F CB 2.004 41.044 39.000 0.066 0.000 1.209 215 F HN 0.206 nan 8.300 nan 0.000 0.462 216 D N 0.468 121.020 120.400 0.253 0.000 2.505 216 D HA 0.191 4.832 4.640 0.001 0.000 0.250 216 D C 0.826 177.205 176.300 0.132 0.000 1.164 216 D CA -0.381 53.709 54.000 0.150 0.000 0.870 216 D CB 1.642 42.528 40.800 0.143 0.000 1.160 216 D HN 0.610 nan 8.370 nan 0.000 0.549 217 T N 0.838 115.440 114.554 0.080 0.000 2.684 217 T HA -0.154 4.196 4.350 0.001 0.000 0.267 217 T C 1.201 175.924 174.700 0.039 0.000 1.036 217 T CA 1.118 63.243 62.100 0.042 0.000 1.148 217 T CB -0.577 68.287 68.868 -0.007 0.000 0.863 217 T HN 0.516 nan 8.240 nan 0.000 0.436 218 S N 1.428 117.155 115.700 0.044 0.000 3.336 218 S HA -0.061 4.410 4.470 0.001 0.000 0.362 218 S C 0.591 175.206 174.600 0.026 0.000 0.941 218 S CA 0.225 58.453 58.200 0.048 0.000 1.297 218 S CB -1.711 61.529 63.200 0.066 0.000 0.915 218 S HN 1.149 nan 8.310 nan 0.000 0.527 219 G N 1.472 110.262 108.800 -0.016 0.000 2.616 219 G HA2 0.479 4.440 3.960 0.001 0.000 0.268 219 G HA3 0.479 4.440 3.960 0.001 0.000 0.268 219 G C 0.003 174.872 174.900 -0.051 0.000 1.213 219 G CA -0.288 44.772 45.100 -0.066 0.000 0.926 219 G HN 0.932 nan 8.290 nan 0.000 0.523 220 Q N -1.483 118.259 119.800 -0.097 0.000 2.454 220 Q HA 0.486 4.827 4.340 0.001 0.000 0.247 220 Q C 0.831 176.781 176.000 -0.084 0.000 1.028 220 Q CA 0.134 55.895 55.803 -0.070 0.000 0.910 220 Q CB 0.966 29.652 28.738 -0.087 0.000 1.276 220 Q HN 1.469 nan 8.270 nan 0.000 0.489 221 G N 0.044 108.817 108.800 -0.044 0.000 2.255 221 G HA2 -0.134 3.827 3.960 0.001 0.000 0.196 221 G HA3 -0.134 3.827 3.960 0.001 0.000 0.196 221 G C 0.242 175.131 174.900 -0.019 0.000 0.998 221 G CA -0.234 44.846 45.100 -0.033 0.000 0.656 221 G HN 1.041 nan 8.290 nan 0.000 0.490 222 G N -0.327 108.465 108.800 -0.013 0.000 3.271 222 G HA2 0.517 4.478 3.960 0.001 0.000 0.174 222 G HA3 0.517 4.478 3.960 0.001 0.000 0.174 222 G C 0.197 175.076 174.900 -0.036 0.000 1.385 222 G CA 0.593 45.686 45.100 -0.010 0.000 0.979 222 G HN 0.660 nan 8.290 nan 0.000 0.610 223 T N 1.802 116.333 114.554 -0.038 0.000 2.871 223 T HA 0.119 4.470 4.350 0.001 0.000 0.296 223 T C 0.130 174.736 174.700 -0.156 0.000 0.998 223 T CA 0.179 62.190 62.100 -0.148 0.000 1.162 223 T CB 0.238 69.019 68.868 -0.146 0.000 0.947 223 T HN 0.376 nan 8.240 nan 0.000 0.536 224 N N 2.198 120.746 118.700 -0.253 0.000 2.527 224 N HA 0.126 4.867 4.740 0.001 0.000 0.236 224 N C 0.110 175.457 175.510 -0.273 0.000 0.999 224 N CA -0.577 52.379 53.050 -0.157 0.000 0.935 224 N CB 0.455 38.880 38.487 -0.104 0.000 1.132 224 N HN 0.684 nan 8.380 nan 0.000 0.511 225 W N 3.265 124.538 121.300 -0.045 0.000 2.436 225 W HA 0.145 4.805 4.660 0.001 0.000 0.284 225 W C 1.893 178.383 176.519 -0.048 0.000 1.225 225 W CA 0.133 57.437 57.345 -0.067 0.000 1.271 225 W CB 0.017 29.432 29.460 -0.076 0.000 1.114 225 W HN 0.547 nan 8.180 nan 0.000 0.559 226 I N 0.078 120.728 120.570 0.134 0.000 2.226 226 I HA -0.324 3.847 4.170 0.001 0.000 0.245 226 I C 2.548 178.605 176.117 -0.099 0.000 1.100 226 I CA 1.413 62.709 61.300 -0.008 0.000 1.374 226 I CB -0.886 37.070 38.000 -0.074 0.000 1.057 226 I HN -0.046 nan 8.210 nan 0.000 0.413 227 A N 0.937 123.695 122.820 -0.104 0.000 1.933 227 A HA -0.148 4.173 4.320 0.001 0.000 0.218 227 A C 2.290 179.792 177.584 -0.136 0.000 1.175 227 A CA 1.394 53.354 52.037 -0.128 0.000 0.628 227 A CB -0.722 18.198 19.000 -0.133 0.000 0.814 227 A HN 0.374 nan 8.150 nan 0.000 0.444 228 I N -0.396 120.058 120.570 -0.193 0.000 2.252 228 I HA -0.190 3.981 4.170 0.001 0.000 0.245 228 I C 2.350 178.454 176.117 -0.022 0.000 1.102 228 I CA 1.152 62.334 61.300 -0.196 0.000 1.385 228 I CB -0.260 37.447 38.000 -0.488 0.000 1.064 228 I HN 0.263 nan 8.210 nan 0.000 0.414 229 E N 0.309 120.539 120.200 0.049 0.000 2.106 229 E HA -0.227 4.124 4.350 0.001 0.000 0.192 229 E C 2.050 178.665 176.600 0.026 0.000 0.984 229 E CA 1.023 57.482 56.400 0.098 0.000 0.806 229 E CB -0.370 29.430 29.700 0.167 0.000 0.750 229 E HN 0.505 nan 8.360 nan 0.000 0.458 230 M N 0.452 120.028 119.600 -0.041 0.000 2.080 230 M HA -0.189 4.292 4.480 0.001 0.000 0.260 230 M C 2.143 178.423 176.300 -0.034 0.000 1.068 230 M CA 1.528 56.789 55.300 -0.066 0.000 1.109 230 M CB -0.144 32.390 32.600 -0.110 0.000 1.342 230 M HN 0.021 nan 8.290 nan 0.000 0.405 231 I N -0.132 120.418 120.570 -0.033 0.000 2.264 231 I HA -0.325 3.846 4.170 0.001 0.000 0.248 231 I C 2.472 178.592 176.117 0.005 0.000 1.111 231 I CA 1.377 62.666 61.300 -0.018 0.000 1.382 231 I CB -0.415 37.568 38.000 -0.029 0.000 1.060 231 I HN 0.349 nan 8.210 nan 0.000 0.418 232 R N 0.398 120.912 120.500 0.023 0.000 2.092 232 R HA -0.139 4.202 4.340 0.001 0.000 0.231 232 R C 1.860 178.173 176.300 0.021 0.000 1.119 232 R CA 1.321 57.444 56.100 0.038 0.000 0.970 232 R CB -0.261 30.085 30.300 0.076 0.000 0.864 232 R HN 0.368 nan 8.270 nan 0.000 0.440 233 D N 0.793 121.197 120.400 0.008 0.000 2.084 233 D HA -0.119 4.522 4.640 0.001 0.000 0.196 233 D C 1.949 178.248 176.300 -0.001 0.000 0.985 233 D CA 1.061 55.054 54.000 -0.012 0.000 0.826 233 D CB -0.205 40.572 40.800 -0.038 0.000 0.978 233 D HN 0.148 nan 8.370 nan 0.000 0.456 234 I N 0.729 121.299 120.570 0.001 0.000 2.113 234 I HA -0.335 3.836 4.170 0.001 0.000 0.242 234 I C 2.574 178.701 176.117 0.016 0.000 1.064 234 I CA 1.244 62.550 61.300 0.011 0.000 1.320 234 I CB -0.161 37.842 38.000 0.005 0.000 1.028 234 I HN -0.084 nan 8.210 nan 0.000 0.406 235 R N 0.687 121.195 120.500 0.014 0.000 2.103 235 R HA -0.169 4.172 4.340 0.001 0.000 0.242 235 R C 1.707 178.019 176.300 0.020 0.000 1.142 235 R CA 1.466 57.576 56.100 0.017 0.000 0.960 235 R CB -0.194 30.117 30.300 0.018 0.000 0.858 235 R HN 0.383 nan 8.270 nan 0.000 0.439 236 R N -0.466 120.047 120.500 0.020 0.000 2.694 236 R HA 0.185 4.526 4.340 0.001 0.000 0.334 236 R C 0.403 176.723 176.300 0.035 0.000 1.143 236 R CA 0.622 56.737 56.100 0.025 0.000 1.073 236 R CB 0.053 30.366 30.300 0.022 0.000 1.366 236 R HN 0.286 nan 8.270 nan 0.000 0.577 237 G N 1.534 110.358 108.800 0.039 0.000 2.225 237 G HA2 -0.392 3.568 3.960 0.001 0.000 0.272 237 G HA3 -0.392 3.568 3.960 0.001 0.000 0.272 237 G C 0.108 175.059 174.900 0.084 0.000 0.996 237 G CA 0.680 45.815 45.100 0.059 0.000 0.710 237 G HN 0.621 nan 8.290 nan 0.000 0.522 238 N N 0.778 119.507 118.700 0.047 0.000 2.454 238 N HA 0.030 4.771 4.740 0.001 0.000 0.260 238 N C 1.773 177.283 175.510 0.001 0.000 1.218 238 N CA 0.171 53.226 53.050 0.007 0.000 0.904 238 N CB 0.049 38.484 38.487 -0.088 0.000 1.065 238 N HN 0.490 nan 8.380 nan 0.000 0.462 239 W N 4.331 125.653 121.300 0.038 0.000 2.465 239 W HA -0.012 4.649 4.660 0.002 0.000 0.268 239 W C 0.892 177.447 176.519 0.059 0.000 1.242 239 W CA -0.036 57.334 57.345 0.041 0.000 1.248 239 W CB -0.545 28.935 29.460 0.034 0.000 1.118 239 W HN 0.493 nan 8.180 nan 0.000 0.587 240 K N 1.225 121.186 120.400 -0.733 0.000 2.286 240 K HA -0.146 4.174 4.320 0.001 0.000 0.203 240 K C 2.479 179.010 176.600 -0.115 0.000 1.045 240 K CA 1.887 57.862 56.287 -0.519 0.000 0.935 240 K CB -0.389 31.792 32.500 -0.531 0.000 0.737 240 K HN 0.168 nan 8.250 nan 0.000 0.460 241 A N 1.469 124.247 122.820 -0.069 0.000 1.892 241 A HA -0.267 4.053 4.320 0.001 0.000 0.218 241 A C 1.846 179.429 177.584 -0.001 0.000 1.188 241 A CA 1.871 53.892 52.037 -0.026 0.000 0.631 241 A CB -0.398 18.600 19.000 -0.003 0.000 0.822 241 A HN 0.377 nan 8.150 nan 0.000 0.447 242 E N -0.308 119.926 120.200 0.057 0.000 2.152 242 E HA -0.066 4.285 4.350 0.001 0.000 0.192 242 E C 2.253 178.910 176.600 0.096 0.000 0.983 242 E CA 1.033 57.478 56.400 0.075 0.000 0.818 242 E CB -0.139 29.628 29.700 0.110 0.000 0.758 242 E HN 0.544 nan 8.360 nan 0.000 0.467 243 S N 0.927 116.712 115.700 0.142 0.000 2.356 243 S HA -0.193 4.278 4.470 0.001 0.000 0.223 243 S C 2.188 176.890 174.600 0.170 0.000 1.032 243 S CA 1.006 59.347 58.200 0.235 0.000 1.005 243 S CB -0.303 63.072 63.200 0.292 0.000 0.867 243 S HN 0.417 nan 8.310 nan 0.000 0.449 244 A N 1.721 124.451 122.820 -0.151 0.000 1.917 244 A HA -0.234 4.087 4.320 0.001 0.000 0.219 244 A C 2.000 179.420 177.584 -0.272 0.000 1.182 244 A CA 2.134 53.749 52.037 -0.703 0.000 0.633 244 A CB -0.656 17.973 19.000 -0.618 0.000 0.819 244 A HN 0.505 nan 8.150 nan 0.000 0.448 245 K N -0.199 120.138 120.400 -0.104 0.000 2.113 245 K HA -0.217 4.104 4.320 0.001 0.000 0.208 245 K C 1.569 178.163 176.600 -0.011 0.000 1.047 245 K CA 1.932 58.191 56.287 -0.047 0.000 0.928 245 K CB -0.314 32.177 32.500 -0.015 0.000 0.716 245 K HN 0.664 nan 8.250 nan 0.000 0.446 246 N N -1.047 117.676 118.700 0.038 0.000 2.459 246 N HA -0.064 4.677 4.740 0.001 0.000 0.181 246 N C 0.475 175.904 175.510 -0.135 0.000 1.046 246 N CA 0.601 53.640 53.050 -0.019 0.000 0.904 246 N CB 0.117 38.602 38.487 -0.003 0.000 0.964 246 N HN 0.098 nan 8.380 nan 0.000 0.444 247 F N 0.063 119.965 119.950 -0.080 0.000 2.653 247 F HA 0.304 4.832 4.527 0.001 0.000 0.304 247 F C 1.297 177.105 175.800 0.013 0.000 1.092 247 F CA -0.206 57.783 58.000 -0.017 0.000 1.279 247 F CB 0.125 39.024 39.000 -0.168 0.000 1.044 247 F HN -0.027 nan 8.300 nan 0.000 0.564 248 L N 0.475 121.744 121.223 0.077 0.000 2.129 248 L HA -0.226 4.115 4.340 0.001 0.000 0.212 248 L C 1.604 178.528 176.870 0.090 0.000 1.087 248 L CA 1.535 56.402 54.840 0.044 0.000 0.757 248 L CB -0.373 41.684 42.059 -0.005 0.000 0.896 248 L HN 0.222 nan 8.230 nan 0.000 0.434 249 D N -2.160 118.305 120.400 0.108 0.000 2.427 249 D HA -0.101 4.540 4.640 0.001 0.000 0.224 249 D C 0.346 176.735 176.300 0.150 0.000 1.157 249 D CA -0.442 53.614 54.000 0.093 0.000 0.828 249 D CB -0.307 40.525 40.800 0.054 0.000 0.974 249 D HN 0.175 nan 8.370 nan 0.000 0.498 250 W N 1.728 123.065 121.300 0.062 0.000 2.218 250 W HA 0.406 5.067 4.660 0.001 0.000 0.326 250 W C 0.294 176.865 176.519 0.086 0.000 1.276 250 W CA 1.657 59.073 57.345 0.119 0.000 1.210 250 W CB 1.007 30.648 29.460 0.302 0.000 1.143 250 W HN 0.249 nan 8.180 nan 0.000 0.563 251 G N 2.223 110.745 108.800 -0.464 0.000 2.355 251 G HA2 -0.012 3.949 3.960 0.001 0.000 0.619 251 G HA3 -0.012 3.949 3.960 0.001 0.000 0.619 251 G C -2.099 172.641 174.900 -0.268 0.000 1.337 251 G CA -1.017 43.919 45.100 -0.274 0.000 0.993 251 G HN 0.556 nan 8.290 nan 0.000 0.599 252 V N 2.259 122.041 119.914 -0.219 0.000 2.408 252 V HA 0.409 4.530 4.120 0.001 0.000 0.267 252 V C -1.660 174.144 176.094 -0.484 0.000 1.047 252 V CA -1.064 61.020 62.300 -0.361 0.000 0.937 252 V CB 1.310 33.010 31.823 -0.205 0.000 0.999 252 V HN 0.583 nan 8.190 nan 0.000 0.472 253 P HA 0.041 nan 4.420 nan 0.000 0.264 253 P C 1.237 178.224 177.300 -0.521 0.000 1.183 253 P CA 0.395 63.044 63.100 -0.751 0.000 0.763 253 P CB 0.444 31.268 31.700 -1.460 0.000 0.807 254 T N 2.571 116.947 114.554 -0.297 0.000 2.620 254 T HA -0.309 4.042 4.350 0.001 0.000 0.267 254 T C 1.742 176.327 174.700 -0.191 0.000 1.044 254 T CA 2.417 64.406 62.100 -0.184 0.000 1.161 254 T CB -0.742 68.069 68.868 -0.096 0.000 0.862 254 T HN 0.505 nan 8.240 nan 0.000 0.438 255 A N 1.252 123.963 122.820 -0.181 0.000 1.902 255 A HA 0.153 4.474 4.320 0.001 0.000 0.217 255 A C 2.671 180.131 177.584 -0.207 0.000 1.181 255 A CA 1.968 53.931 52.037 -0.123 0.000 0.623 255 A CB -1.136 17.847 19.000 -0.028 0.000 0.818 255 A HN 0.549 nan 8.150 nan 0.000 0.443 256 A N -0.896 121.679 122.820 -0.409 0.000 1.902 256 A HA -0.114 4.207 4.320 0.001 0.000 0.217 256 A C 2.482 179.849 177.584 -0.361 0.000 1.181 256 A CA 2.191 53.878 52.037 -0.584 0.000 0.623 256 A CB -0.945 17.187 19.000 -1.446 0.000 0.818 256 A HN 0.541 nan 8.150 nan 0.000 0.443 257 S N -0.436 115.074 115.700 -0.316 0.000 2.356 257 S HA -0.124 4.347 4.470 0.001 0.000 0.223 257 S C 1.904 176.444 174.600 -0.099 0.000 1.032 257 S CA 1.361 59.457 58.200 -0.174 0.000 1.005 257 S CB -0.554 62.556 63.200 -0.151 0.000 0.867 257 S HN 0.484 nan 8.310 nan 0.000 0.449 258 I N 1.405 121.924 120.570 -0.085 0.000 2.118 258 I HA -0.296 3.875 4.170 0.001 0.000 0.241 258 I C 2.597 178.736 176.117 0.036 0.000 1.070 258 I CA 1.777 63.064 61.300 -0.021 0.000 1.327 258 I CB -0.402 37.596 38.000 -0.004 0.000 1.034 258 I HN 0.383 nan 8.210 nan 0.000 0.405 259 M N -0.231 119.363 119.600 -0.010 0.000 2.086 259 M HA -0.216 4.265 4.480 0.001 0.000 0.261 259 M C 2.268 178.601 176.300 0.055 0.000 1.067 259 M CA 1.760 57.045 55.300 -0.025 0.000 1.116 259 M CB -0.600 31.796 32.600 -0.340 0.000 1.348 259 M HN 0.212 nan 8.290 nan 0.000 0.407 260 E N 0.021 120.220 120.200 -0.001 0.000 2.058 260 E HA -0.172 4.179 4.350 0.001 0.000 0.194 260 E C 2.140 178.770 176.600 0.050 0.000 0.997 260 E CA 1.575 58.002 56.400 0.046 0.000 0.801 260 E CB -0.281 29.445 29.700 0.044 0.000 0.746 260 E HN 0.351 nan 8.360 nan 0.000 0.450 261 V N 1.164 121.062 119.914 -0.026 0.000 2.270 261 V HA -0.235 3.886 4.120 0.001 0.000 0.245 261 V C 2.473 178.541 176.094 -0.043 0.000 1.043 261 V CA 1.942 64.161 62.300 -0.134 0.000 1.014 261 V CB -0.523 31.160 31.823 -0.232 0.000 0.645 261 V HN 0.130 nan 8.190 nan 0.000 0.447 262 R N -0.600 119.936 120.500 0.060 0.000 2.103 262 R HA -0.237 4.104 4.340 0.001 0.000 0.242 262 R C 2.238 178.623 176.300 0.141 0.000 1.142 262 R CA 2.051 58.209 56.100 0.097 0.000 0.960 262 R CB -0.735 29.655 30.300 0.149 0.000 0.858 262 R HN 0.587 nan 8.270 nan 0.000 0.439 263 Y N 0.297 120.670 120.300 0.122 0.000 2.184 263 Y HA -0.135 4.416 4.550 0.001 0.000 0.290 263 Y C 2.434 178.341 175.900 0.013 0.000 1.129 263 Y CA 1.990 60.163 58.100 0.121 0.000 1.144 263 Y CB -0.179 38.390 38.460 0.183 0.000 0.995 263 Y HN 0.300 nan 8.280 nan 0.000 0.513 264 S N -1.082 114.680 115.700 0.104 0.000 2.458 264 S HA 0.028 4.499 4.470 0.001 0.000 0.223 264 S C 0.614 175.116 174.600 -0.164 0.000 1.019 264 S CA 0.360 58.547 58.200 -0.022 0.000 0.937 264 S CB -0.093 63.124 63.200 0.028 0.000 0.788 264 S HN 0.171 nan 8.310 nan 0.000 0.511 265 V N 1.982 121.785 119.914 -0.186 0.000 2.315 265 V HA 0.508 4.628 4.120 0.001 0.000 0.265 265 V C -2.531 173.472 176.094 -0.150 0.000 1.019 265 V CA -2.050 60.080 62.300 -0.283 0.000 0.824 265 V CB 1.497 33.075 31.823 -0.408 0.000 1.072 265 V HN -0.019 nan 8.190 nan 0.000 0.448 266 P HA -0.109 nan 4.420 nan 0.000 0.218 266 P C 0.903 178.182 177.300 -0.034 0.000 1.148 266 P CA 1.654 64.701 63.100 -0.088 0.000 0.822 266 P CB 0.126 31.756 31.700 -0.116 0.000 0.784 267 D N -1.117 119.273 120.400 -0.017 0.000 2.340 267 D HA -0.016 4.625 4.640 0.001 0.000 0.220 267 D C 0.210 176.586 176.300 0.126 0.000 1.039 267 D CA 0.080 54.111 54.000 0.053 0.000 0.866 267 D CB -0.691 40.153 40.800 0.073 0.000 0.913 267 D HN 0.145 nan 8.370 nan 0.000 0.523 268 S N 0.205 115.992 115.700 0.145 0.000 2.563 268 S HA 0.083 4.554 4.470 0.001 0.000 0.284 268 S C -0.124 174.623 174.600 0.245 0.000 1.331 268 S CA -0.835 57.529 58.200 0.274 0.000 1.047 268 S CB 0.305 63.735 63.200 0.384 0.000 0.859 268 S HN 0.209 nan 8.310 nan 0.000 0.514 269 F N 3.037 123.053 119.950 0.109 0.000 2.411 269 F HA 0.588 5.116 4.527 0.001 0.000 0.355 269 F C -0.540 175.309 175.800 0.080 0.000 1.117 269 F CA -1.160 56.849 58.000 0.014 0.000 1.139 269 F CB 0.463 39.396 39.000 -0.112 0.000 1.120 269 F HN 0.611 nan 8.300 nan 0.000 0.493 270 L N 7.719 128.608 121.223 -0.556 0.000 2.349 270 L HA 0.533 4.873 4.340 0.001 0.000 0.278 270 L C -1.304 175.286 176.870 -0.466 0.000 0.996 270 L CA -0.920 53.734 54.840 -0.309 0.000 0.825 270 L CB 1.737 43.729 42.059 -0.112 0.000 1.243 270 L HN 0.373 nan 8.230 nan 0.000 0.412 271 V N 3.485 123.228 119.914 -0.286 0.000 2.432 271 V HA 0.434 4.554 4.120 0.001 0.000 0.275 271 V C 0.751 176.817 176.094 -0.047 0.000 1.043 271 V CA -0.474 61.736 62.300 -0.151 0.000 0.925 271 V CB 1.357 33.168 31.823 -0.020 0.000 0.985 271 V HN 0.877 nan 8.190 nan 0.000 0.466 272 G N 3.412 112.190 108.800 -0.036 0.000 2.356 272 G HA2 0.582 4.543 3.960 0.001 0.000 0.312 272 G HA3 0.582 4.543 3.960 0.001 0.000 0.312 272 G C -0.085 174.823 174.900 0.013 0.000 1.096 272 G CA 0.047 45.140 45.100 -0.011 0.000 0.950 272 G HN 0.924 nan 8.290 nan 0.000 0.428 273 S N 0.851 116.564 115.700 0.022 0.000 2.685 273 S HA 0.891 5.362 4.470 0.001 0.000 0.282 273 S C -0.132 174.485 174.600 0.028 0.000 1.159 273 S CA -0.346 57.877 58.200 0.038 0.000 0.833 273 S CB 1.945 65.183 63.200 0.063 0.000 1.151 273 S HN 2.267 nan 8.310 nan 0.000 0.485 274 G N -0.689 108.135 108.800 0.040 0.000 2.798 274 G HA2 0.464 4.425 3.960 0.001 0.000 0.658 274 G HA3 0.464 4.425 3.960 0.001 0.000 0.658 274 G C 0.873 175.783 174.900 0.017 0.000 1.148 274 G CA 0.234 45.353 45.100 0.032 0.000 1.200 274 G HN 2.502 nan 8.290 nan 0.000 0.519 275 G N 0.218 109.034 108.800 0.026 0.000 2.141 275 G HA2 -0.129 3.832 3.960 0.001 0.000 0.242 275 G HA3 -0.129 3.832 3.960 0.001 0.000 0.242 275 G C 0.480 175.398 174.900 0.031 0.000 0.982 275 G CA 0.199 45.310 45.100 0.018 0.000 0.662 275 G HN 1.576 nan 8.290 nan 0.000 0.527 276 I N 0.884 121.481 120.570 0.045 0.000 2.578 276 I HA 0.239 4.410 4.170 0.001 0.000 0.286 276 I C 1.274 177.444 176.117 0.088 0.000 1.126 276 I CA 0.375 61.710 61.300 0.059 0.000 1.380 276 I CB 0.731 38.770 38.000 0.066 0.000 1.408 276 I HN 0.075 nan 8.210 nan 0.000 0.532 277 R N 3.312 123.860 120.500 0.080 0.000 2.469 277 R HA 0.184 4.525 4.340 0.001 0.000 0.250 277 R C 0.375 176.739 176.300 0.105 0.000 0.909 277 R CA 0.130 56.296 56.100 0.110 0.000 1.050 277 R CB 0.440 30.784 30.300 0.073 0.000 1.256 277 R HN 0.735 nan 8.270 nan 0.000 0.550 278 S N -2.693 113.038 115.700 0.052 0.000 2.685 278 S HA 0.512 4.983 4.470 0.001 0.000 0.282 278 S C 0.979 175.569 174.600 -0.016 0.000 1.159 278 S CA -0.276 57.927 58.200 0.005 0.000 0.833 278 S CB 1.513 64.719 63.200 0.008 0.000 1.151 278 S HN 0.005 nan 8.310 nan 0.000 0.485 279 G N 0.011 108.785 108.800 -0.044 0.000 2.443 279 G HA2 -0.008 3.953 3.960 0.001 0.000 0.219 279 G HA3 -0.008 3.953 3.960 0.001 0.000 0.219 279 G C 1.096 175.975 174.900 -0.035 0.000 1.131 279 G CA 0.477 45.550 45.100 -0.045 0.000 0.775 279 G HN 0.635 nan 8.290 nan 0.000 0.547 280 L N 0.278 121.483 121.223 -0.030 0.000 2.027 280 L HA -0.063 4.278 4.340 0.001 0.000 0.206 280 L C 2.296 179.162 176.870 -0.008 0.000 1.074 280 L CA 1.683 56.510 54.840 -0.021 0.000 0.745 280 L CB -0.293 41.757 42.059 -0.015 0.000 0.898 280 L HN 0.120 nan 8.230 nan 0.000 0.433 281 D N 0.208 120.609 120.400 0.001 0.000 2.123 281 D HA -0.185 4.456 4.640 0.001 0.000 0.196 281 D C 2.157 178.463 176.300 0.009 0.000 0.992 281 D CA 1.511 55.517 54.000 0.010 0.000 0.833 281 D CB -0.022 40.791 40.800 0.022 0.000 0.954 281 D HN 0.442 nan 8.370 nan 0.000 0.455 282 A N 1.026 123.850 122.820 0.007 0.000 1.902 282 A HA -0.065 4.256 4.320 0.001 0.000 0.217 282 A C 2.329 179.912 177.584 -0.002 0.000 1.181 282 A CA 2.324 54.365 52.037 0.007 0.000 0.623 282 A CB -0.720 18.284 19.000 0.005 0.000 0.818 282 A HN 0.244 nan 8.150 nan 0.000 0.443 283 A N -0.178 122.636 122.820 -0.011 0.000 1.902 283 A HA -0.165 4.156 4.320 0.001 0.000 0.217 283 A C 2.121 179.703 177.584 -0.004 0.000 1.181 283 A CA 1.814 53.843 52.037 -0.014 0.000 0.623 283 A CB -0.434 18.552 19.000 -0.024 0.000 0.818 283 A HN 0.549 nan 8.150 nan 0.000 0.443 284 K N -0.327 120.073 120.400 0.001 0.000 2.026 284 K HA -0.080 4.241 4.320 0.001 0.000 0.208 284 K C 2.348 178.956 176.600 0.013 0.000 1.048 284 K CA 1.172 57.465 56.287 0.009 0.000 0.929 284 K CB -0.370 32.135 32.500 0.010 0.000 0.713 284 K HN 0.431 nan 8.250 nan 0.000 0.439 285 A N 1.437 124.262 122.820 0.008 0.000 1.908 285 A HA -0.169 4.152 4.320 0.001 0.000 0.218 285 A C 2.138 179.725 177.584 0.006 0.000 1.181 285 A CA 1.430 53.471 52.037 0.007 0.000 0.627 285 A CB -0.597 18.405 19.000 0.003 0.000 0.818 285 A HN 0.189 nan 8.150 nan 0.000 0.445 286 I N -0.488 120.082 120.570 0.001 0.000 2.233 286 I HA -0.212 3.959 4.170 0.001 0.000 0.243 286 I C 2.973 179.091 176.117 0.002 0.000 1.093 286 I CA 0.952 62.249 61.300 -0.005 0.000 1.380 286 I CB -0.344 37.651 38.000 -0.008 0.000 1.067 286 I HN 0.333 nan 8.210 nan 0.000 0.413 287 A N 0.751 123.575 122.820 0.007 0.000 1.908 287 A HA -0.197 4.124 4.320 0.001 0.000 0.218 287 A C 2.364 179.969 177.584 0.035 0.000 1.181 287 A CA 1.426 53.471 52.037 0.013 0.000 0.627 287 A CB -0.928 18.081 19.000 0.014 0.000 0.818 287 A HN 0.406 nan 8.150 nan 0.000 0.445 288 L N -2.143 119.113 121.223 0.054 0.000 2.127 288 L HA -0.106 4.235 4.340 0.001 0.000 0.211 288 L C 1.887 178.842 176.870 0.142 0.000 1.089 288 L CA 1.546 56.454 54.840 0.113 0.000 0.757 288 L CB -0.108 42.004 42.059 0.087 0.000 0.899 288 L HN 0.647 nan 8.230 nan 0.000 0.434 289 G N -2.546 106.291 108.800 0.062 0.000 3.578 289 G HA2 -0.016 3.944 3.960 0.001 0.000 0.220 289 G HA3 -0.016 3.944 3.960 0.001 0.000 0.220 289 G C 0.216 175.116 174.900 -0.000 0.000 0.933 289 G CA -0.027 45.093 45.100 0.033 0.000 0.847 289 G HN 0.424 nan 8.290 nan 0.000 0.612 290 A N 0.470 123.284 122.820 -0.011 0.000 2.366 290 A HA 0.581 4.902 4.320 0.001 0.000 0.249 290 A C 0.978 178.513 177.584 -0.081 0.000 1.084 290 A CA 0.698 52.700 52.037 -0.058 0.000 0.794 290 A CB 0.429 19.398 19.000 -0.051 0.000 1.034 290 A HN 0.089 nan 8.150 nan 0.000 0.491 291 D N -0.486 119.814 120.400 -0.167 0.000 2.262 291 D HA 0.124 4.765 4.640 0.001 0.000 0.212 291 D C 0.670 176.927 176.300 -0.071 0.000 0.964 291 D CA 1.486 55.410 54.000 -0.127 0.000 0.875 291 D CB 0.124 40.800 40.800 -0.206 0.000 0.996 291 D HN 0.664 nan 8.370 nan 0.000 0.497 292 I N -2.644 117.853 120.570 -0.121 0.000 2.969 292 I HA 0.659 4.830 4.170 0.001 0.000 0.307 292 I C -1.237 174.873 176.117 -0.012 0.000 1.149 292 I CA -1.355 59.940 61.300 -0.008 0.000 1.008 292 I CB 2.450 40.515 38.000 0.109 0.000 1.232 292 I HN -0.269 nan 8.210 nan 0.000 0.435 293 A N 2.481 125.314 122.820 0.022 0.000 2.310 293 A HA 0.834 5.155 4.320 0.001 0.000 0.299 293 A C 0.093 177.714 177.584 0.062 0.000 1.147 293 A CA -0.125 51.931 52.037 0.032 0.000 0.818 293 A CB 0.669 19.688 19.000 0.031 0.000 1.096 293 A HN 1.132 nan 8.150 nan 0.000 0.495 294 G N 0.778 109.620 108.800 0.070 0.000 2.452 294 G HA2 0.604 4.565 3.960 0.001 0.000 0.324 294 G HA3 0.604 4.565 3.960 0.001 0.000 0.324 294 G C -0.763 174.201 174.900 0.105 0.000 1.214 294 G CA -0.606 44.552 45.100 0.096 0.000 0.947 294 G HN 0.637 nan 8.290 nan 0.000 0.478 295 M N 1.012 120.692 119.600 0.133 0.000 2.518 295 M HA 0.598 5.079 4.480 0.001 0.000 0.300 295 M C 0.406 176.778 176.300 0.120 0.000 1.175 295 M CA -0.793 54.592 55.300 0.141 0.000 0.890 295 M CB 2.627 35.358 32.600 0.218 0.000 1.710 295 M HN 0.650 nan 8.290 nan 0.000 0.453 296 A N 1.525 124.393 122.820 0.081 0.000 1.807 296 A HA 0.373 4.694 4.320 0.001 0.000 0.178 296 A C 1.327 178.903 177.584 -0.013 0.000 2.008 296 A CA -0.166 51.904 52.037 0.055 0.000 1.178 296 A CB -0.501 18.550 19.000 0.086 0.000 0.966 296 A HN 0.817 nan 8.150 nan 0.000 0.653 297 L N 0.881 122.093 121.223 -0.019 0.000 2.010 297 L HA -0.151 4.190 4.340 0.001 0.000 0.219 297 L C -0.564 176.200 176.870 -0.177 0.000 1.077 297 L CA 2.821 57.607 54.840 -0.090 0.000 0.773 297 L CB -0.991 41.013 42.059 -0.091 0.000 0.892 297 L HN 0.324 nan 8.230 nan 0.000 0.436 298 P HA -0.078 nan 4.420 nan 0.000 0.223 298 P C 1.829 178.679 177.300 -0.750 0.000 1.151 298 P CA 0.960 63.819 63.100 -0.402 0.000 0.787 298 P CB 0.090 31.624 31.700 -0.277 0.000 0.788 299 V N 0.777 120.365 119.914 -0.543 0.000 2.358 299 V HA -0.189 3.932 4.120 0.001 0.000 0.246 299 V C 2.683 178.562 176.094 -0.359 0.000 1.047 299 V CA 1.257 63.243 62.300 -0.523 0.000 1.035 299 V CB -1.139 30.578 31.823 -0.177 0.000 0.658 299 V HN 0.066 nan 8.190 nan 0.000 0.452 300 L N -0.063 121.016 121.223 -0.239 0.000 2.012 300 L HA -0.248 4.092 4.340 0.001 0.000 0.210 300 L C 2.636 179.370 176.870 -0.227 0.000 1.073 300 L CA 2.124 56.852 54.840 -0.187 0.000 0.748 300 L CB -0.410 41.557 42.059 -0.153 0.000 0.891 300 L HN 0.348 nan 8.230 nan 0.000 0.431 301 K N -0.821 119.415 120.400 -0.273 0.000 2.057 301 K HA -0.130 4.190 4.320 0.001 0.000 0.207 301 K C 2.117 178.585 176.600 -0.219 0.000 1.049 301 K CA 1.608 57.750 56.287 -0.242 0.000 0.931 301 K CB -0.057 32.306 32.500 -0.230 0.000 0.714 301 K HN 0.260 nan 8.250 nan 0.000 0.440 302 S N 0.815 116.319 115.700 -0.326 0.000 2.368 302 S HA -0.120 4.351 4.470 0.001 0.000 0.224 302 S C 2.124 176.614 174.600 -0.184 0.000 1.029 302 S CA 1.154 59.185 58.200 -0.282 0.000 0.988 302 S CB -0.194 62.730 63.200 -0.461 0.000 0.838 302 S HN 0.429 nan 8.310 nan 0.000 0.462 303 A N 1.386 124.090 122.820 -0.193 0.000 1.940 303 A HA -0.079 4.242 4.320 0.001 0.000 0.219 303 A C 2.049 179.593 177.584 -0.066 0.000 1.176 303 A CA 1.260 53.231 52.037 -0.110 0.000 0.631 303 A CB -0.741 18.200 19.000 -0.098 0.000 0.814 303 A HN 0.489 nan 8.150 nan 0.000 0.446 304 I N -0.545 119.982 120.570 -0.072 0.000 2.286 304 I HA -0.251 3.920 4.170 0.001 0.000 0.248 304 I C 2.387 178.505 176.117 0.003 0.000 1.115 304 I CA 1.507 62.794 61.300 -0.022 0.000 1.392 304 I CB -0.276 37.715 38.000 -0.014 0.000 1.065 304 I HN 0.429 nan 8.210 nan 0.000 0.418 305 E N 0.451 120.641 120.200 -0.017 0.000 2.274 305 E HA 0.093 4.444 4.350 0.001 0.000 0.194 305 E C 0.789 177.387 176.600 -0.004 0.000 0.996 305 E CA 0.560 56.957 56.400 -0.004 0.000 0.840 305 E CB 0.132 29.823 29.700 -0.015 0.000 0.772 305 E HN 0.560 nan 8.360 nan 0.000 0.491 306 G N 0.374 109.167 108.800 -0.012 0.000 2.334 306 G HA2 -0.155 3.806 3.960 0.001 0.000 0.566 306 G HA3 -0.155 3.806 3.960 0.001 0.000 0.566 306 G C -0.123 174.781 174.900 0.006 0.000 1.413 306 G CA -0.225 44.876 45.100 0.002 0.000 0.993 306 G HN -0.011 nan 8.290 nan 0.000 0.642 307 K N 0.122 120.538 120.400 0.026 0.000 2.015 307 K HA -0.207 4.114 4.320 0.001 0.000 0.216 307 K C 2.542 179.183 176.600 0.068 0.000 1.052 307 K CA 2.557 58.875 56.287 0.052 0.000 0.937 307 K CB -0.132 32.404 32.500 0.059 0.000 0.719 307 K HN 0.628 nan 8.250 nan 0.000 0.446 308 E N 0.302 120.538 120.200 0.060 0.000 2.110 308 E HA -0.177 4.174 4.350 0.001 0.000 0.193 308 E C 2.012 178.650 176.600 0.063 0.000 0.988 308 E CA 1.450 57.893 56.400 0.072 0.000 0.804 308 E CB -0.584 29.150 29.700 0.056 0.000 0.745 308 E HN 0.267 nan 8.360 nan 0.000 0.458 309 S N 0.835 116.555 115.700 0.034 0.000 2.359 309 S HA -0.150 4.321 4.470 0.001 0.000 0.224 309 S C 2.007 176.611 174.600 0.007 0.000 1.035 309 S CA 1.080 59.291 58.200 0.018 0.000 1.018 309 S CB -0.296 62.899 63.200 -0.007 0.000 0.876 309 S HN 0.259 nan 8.310 nan 0.000 0.448 310 L N 1.837 123.042 121.223 -0.030 0.000 2.083 310 L HA 0.006 4.347 4.340 0.001 0.000 0.209 310 L C 2.255 179.093 176.870 -0.054 0.000 1.083 310 L CA 2.006 56.777 54.840 -0.115 0.000 0.752 310 L CB -0.846 41.136 42.059 -0.129 0.000 0.899 310 L HN 0.389 nan 8.230 nan 0.000 0.433 311 E N -1.115 119.151 120.200 0.111 0.000 2.077 311 E HA -0.298 4.052 4.350 0.001 0.000 0.193 311 E C 2.107 178.808 176.600 0.167 0.000 0.989 311 E CA 1.232 57.786 56.400 0.256 0.000 0.800 311 E CB -0.149 29.762 29.700 0.352 0.000 0.746 311 E HN 0.451 nan 8.360 nan 0.000 0.452 312 Q N 0.576 120.448 119.800 0.119 0.000 2.084 312 Q HA -0.175 4.166 4.340 0.001 0.000 0.202 312 Q C 1.763 177.794 176.000 0.052 0.000 0.978 312 Q CA 1.356 57.213 55.803 0.090 0.000 0.844 312 Q CB -0.479 28.302 28.738 0.072 0.000 0.898 312 Q HN 0.340 nan 8.270 nan 0.000 0.426 313 F N -0.474 119.402 119.950 -0.124 0.000 2.065 313 F HA -0.224 4.303 4.527 0.001 0.000 0.298 313 F C 1.669 177.372 175.800 -0.162 0.000 1.112 313 F CA 1.790 59.675 58.000 -0.191 0.000 1.212 313 F CB -0.378 38.414 39.000 -0.348 0.000 0.975 313 F HN 0.166 nan 8.300 nan 0.000 0.476 314 F N 0.042 119.828 119.950 -0.273 0.000 2.186 314 F HA -0.154 4.373 4.527 0.001 0.000 0.299 314 F C 2.647 178.172 175.800 -0.459 0.000 1.090 314 F CA 0.888 58.559 58.000 -0.549 0.000 1.307 314 F CB -0.405 38.034 39.000 -0.935 0.000 1.019 314 F HN -0.179 nan 8.300 nan 0.000 0.489 315 R N 0.568 121.020 120.500 -0.079 0.000 2.083 315 R HA -0.222 4.119 4.340 0.001 0.000 0.237 315 R C 2.261 178.602 176.300 0.068 0.000 1.137 315 R CA 1.762 57.917 56.100 0.092 0.000 0.951 315 R CB -0.339 30.059 30.300 0.162 0.000 0.851 315 R HN 0.203 nan 8.270 nan 0.000 0.434 316 K N 0.534 120.918 120.400 -0.026 0.000 2.026 316 K HA -0.156 4.165 4.320 0.001 0.000 0.208 316 K C 2.010 178.585 176.600 -0.042 0.000 1.048 316 K CA 1.323 57.605 56.287 -0.008 0.000 0.929 316 K CB -0.009 32.440 32.500 -0.085 0.000 0.713 316 K HN 0.032 nan 8.250 nan 0.000 0.439 317 I N 1.717 122.136 120.570 -0.253 0.000 2.163 317 I HA -0.286 3.885 4.170 0.001 0.000 0.243 317 I C 2.362 178.443 176.117 -0.060 0.000 1.085 317 I CA 1.447 62.617 61.300 -0.217 0.000 1.347 317 I CB -0.863 36.944 38.000 -0.321 0.000 1.044 317 I HN 0.278 nan 8.210 nan 0.000 0.408 318 I N -0.108 120.457 120.570 -0.008 0.000 2.226 318 I HA -0.337 3.834 4.170 0.001 0.000 0.245 318 I C 2.581 178.768 176.117 0.117 0.000 1.100 318 I CA 1.322 62.652 61.300 0.051 0.000 1.374 318 I CB -0.465 37.592 38.000 0.095 0.000 1.057 318 I HN 0.086 nan 8.210 nan 0.000 0.413 319 F N 2.023 122.005 119.950 0.053 0.000 2.102 319 F HA -0.205 4.323 4.527 0.002 0.000 0.298 319 F C 2.370 178.238 175.800 0.112 0.000 1.105 319 F CA 1.735 59.812 58.000 0.130 0.000 1.239 319 F CB -0.374 38.687 39.000 0.102 0.000 0.991 319 F HN 0.027 nan 8.300 nan 0.000 0.474 320 E N 0.179 120.313 120.200 -0.110 0.000 2.058 320 E HA -0.252 4.099 4.350 0.001 0.000 0.194 320 E C 2.121 178.620 176.600 -0.170 0.000 0.997 320 E CA 1.501 57.786 56.400 -0.193 0.000 0.801 320 E CB -0.509 29.156 29.700 -0.058 0.000 0.746 320 E HN 0.426 nan 8.360 nan 0.000 0.450 321 L N 1.649 122.810 121.223 -0.104 0.000 2.012 321 L HA -0.221 4.120 4.340 0.001 0.000 0.210 321 L C 1.842 178.638 176.870 -0.124 0.000 1.073 321 L CA 1.925 56.712 54.840 -0.089 0.000 0.748 321 L CB -0.136 41.887 42.059 -0.060 0.000 0.891 321 L HN -0.093 nan 8.230 nan 0.000 0.431 322 K N -0.657 119.652 120.400 -0.152 0.000 2.148 322 K HA -0.042 4.279 4.320 0.001 0.000 0.204 322 K C 2.076 178.559 176.600 -0.196 0.000 1.050 322 K CA 1.045 57.187 56.287 -0.243 0.000 0.942 322 K CB -0.324 31.961 32.500 -0.357 0.000 0.724 322 K HN 0.500 nan 8.250 nan 0.000 0.446 323 A N 1.592 124.307 122.820 -0.174 0.000 1.902 323 A HA -0.107 4.214 4.320 0.001 0.000 0.217 323 A C 2.382 179.923 177.584 -0.071 0.000 1.181 323 A CA 1.795 53.763 52.037 -0.115 0.000 0.623 323 A CB -0.664 18.122 19.000 -0.357 0.000 0.818 323 A HN 0.313 nan 8.150 nan 0.000 0.443 324 A N -0.618 122.147 122.820 -0.091 0.000 1.933 324 A HA -0.095 4.225 4.320 0.001 0.000 0.218 324 A C 2.247 179.803 177.584 -0.047 0.000 1.175 324 A CA 1.757 53.764 52.037 -0.049 0.000 0.628 324 A CB -0.529 18.442 19.000 -0.047 0.000 0.814 324 A HN 0.545 nan 8.150 nan 0.000 0.444 325 M N -1.995 117.558 119.600 -0.078 0.000 2.099 325 M HA -0.134 4.347 4.480 0.001 0.000 0.262 325 M C 2.405 178.657 176.300 -0.080 0.000 1.067 325 M CA 2.087 57.335 55.300 -0.086 0.000 1.124 325 M CB -0.386 32.140 32.600 -0.123 0.000 1.353 325 M HN 0.521 nan 8.290 nan 0.000 0.410 326 M N 1.010 120.563 119.600 -0.078 0.000 2.080 326 M HA -0.146 4.335 4.480 0.001 0.000 0.260 326 M C 1.625 177.912 176.300 -0.022 0.000 1.068 326 M CA 1.906 57.187 55.300 -0.030 0.000 1.109 326 M CB -0.455 32.209 32.600 0.107 0.000 1.342 326 M HN 0.194 nan 8.290 nan 0.000 0.405 327 L N -0.412 120.815 121.223 0.006 0.000 2.610 327 L HA 0.042 4.383 4.340 0.001 0.000 0.232 327 L C 1.146 178.000 176.870 -0.027 0.000 1.149 327 L CA 0.972 55.828 54.840 0.026 0.000 0.872 327 L CB -1.017 41.127 42.059 0.143 0.000 0.992 327 L HN 0.528 nan 8.230 nan 0.000 0.447 328 T N -5.101 109.430 114.554 -0.038 0.000 3.040 328 T HA 0.266 4.617 4.350 0.001 0.000 0.266 328 T C 1.278 175.945 174.700 -0.054 0.000 1.005 328 T CA 0.286 62.360 62.100 -0.044 0.000 0.906 328 T CB 0.791 69.647 68.868 -0.021 0.000 1.082 328 T HN 0.285 nan 8.240 nan 0.000 0.531 329 G N 1.544 110.303 108.800 -0.069 0.000 2.246 329 G HA2 -0.235 3.726 3.960 0.001 0.000 0.273 329 G HA3 -0.235 3.726 3.960 0.001 0.000 0.273 329 G C -0.047 174.823 174.900 -0.050 0.000 1.055 329 G CA 0.067 45.129 45.100 -0.064 0.000 0.851 329 G HN 0.682 nan 8.290 nan 0.000 0.500 330 S N -0.053 115.614 115.700 -0.056 0.000 2.423 330 S HA 0.401 4.872 4.470 0.001 0.000 0.317 330 S C 1.427 175.987 174.600 -0.068 0.000 1.065 330 S CA -0.097 58.072 58.200 -0.052 0.000 1.111 330 S CB 1.397 64.568 63.200 -0.049 0.000 0.968 330 S HN 0.723 nan 8.310 nan 0.000 0.474 331 K N 1.615 121.981 120.400 -0.057 0.000 2.167 331 K HA -0.013 4.308 4.320 0.001 0.000 0.203 331 K C -0.056 176.505 176.600 -0.064 0.000 1.052 331 K CA 0.966 57.214 56.287 -0.063 0.000 0.956 331 K CB -0.183 32.290 32.500 -0.045 0.000 0.735 331 K HN 0.607 nan 8.250 nan 0.000 0.451 332 D N -1.364 119.006 120.400 -0.050 0.000 2.610 332 D HA 0.094 4.735 4.640 0.001 0.000 0.271 332 D C 0.755 177.034 176.300 -0.035 0.000 1.174 332 D CA -0.868 53.106 54.000 -0.043 0.000 0.949 332 D CB 1.098 41.880 40.800 -0.029 0.000 1.430 332 D HN -0.242 nan 8.370 nan 0.000 0.467 333 V N 0.274 120.173 119.914 -0.026 0.000 2.392 333 V HA -0.230 3.891 4.120 0.001 0.000 0.249 333 V C 1.649 177.735 176.094 -0.012 0.000 1.059 333 V CA 2.176 64.466 62.300 -0.017 0.000 1.051 333 V CB -0.618 31.204 31.823 -0.002 0.000 0.658 333 V HN 0.625 nan 8.190 nan 0.000 0.455 334 D N 0.194 120.588 120.400 -0.009 0.000 2.123 334 D HA -0.169 4.471 4.640 0.001 0.000 0.196 334 D C 2.230 178.521 176.300 -0.014 0.000 0.992 334 D CA 1.771 55.766 54.000 -0.009 0.000 0.833 334 D CB -0.009 40.787 40.800 -0.007 0.000 0.954 334 D HN 0.467 nan 8.370 nan 0.000 0.455 335 A N 0.744 123.554 122.820 -0.018 0.000 1.930 335 A HA -0.141 4.180 4.320 0.001 0.000 0.217 335 A C 2.163 179.735 177.584 -0.021 0.000 1.175 335 A CA 0.784 52.809 52.037 -0.020 0.000 0.627 335 A CB -0.595 18.391 19.000 -0.024 0.000 0.815 335 A HN 0.242 nan 8.150 nan 0.000 0.443 336 L N 0.159 121.368 121.223 -0.023 0.000 2.042 336 L HA -0.155 4.186 4.340 0.001 0.000 0.210 336 L C 2.147 179.008 176.870 -0.015 0.000 1.076 336 L CA 2.195 57.022 54.840 -0.022 0.000 0.749 336 L CB -0.514 41.530 42.059 -0.026 0.000 0.893 336 L HN 0.340 nan 8.230 nan 0.000 0.432 337 K N -0.095 120.295 120.400 -0.015 0.000 2.281 337 K HA -0.169 4.152 4.320 0.001 0.000 0.203 337 K C 1.201 177.787 176.600 -0.022 0.000 1.046 337 K CA 1.611 57.887 56.287 -0.017 0.000 0.938 337 K CB -0.126 32.363 32.500 -0.018 0.000 0.737 337 K HN 0.531 nan 8.250 nan 0.000 0.458 338 K N -0.155 120.233 120.400 -0.019 0.000 2.414 338 K HA 0.132 4.452 4.320 0.001 0.000 0.204 338 K C 0.472 177.066 176.600 -0.011 0.000 1.026 338 K CA -0.167 56.108 56.287 -0.020 0.000 1.108 338 K CB 0.742 33.230 32.500 -0.021 0.000 0.855 338 K HN -0.205 nan 8.250 nan 0.000 0.517 339 T N 1.360 115.910 114.554 -0.008 0.000 2.813 339 T HA 0.078 4.429 4.350 0.001 0.000 0.297 339 T C -0.060 174.643 174.700 0.006 0.000 1.036 339 T CA -0.060 62.038 62.100 -0.004 0.000 1.044 339 T CB 0.696 69.560 68.868 -0.007 0.000 0.993 339 T HN 0.169 nan 8.240 nan 0.000 0.535 340 S N 2.216 117.921 115.700 0.008 0.000 2.528 340 S HA 0.470 4.941 4.470 0.001 0.000 0.277 340 S C 0.153 174.768 174.600 0.024 0.000 1.297 340 S CA -0.626 57.584 58.200 0.017 0.000 1.052 340 S CB -0.275 62.934 63.200 0.016 0.000 0.917 340 S HN 0.596 nan 8.310 nan 0.000 0.492 341 I N -0.511 120.079 120.570 0.033 0.000 3.042 341 I HA 0.827 4.998 4.170 0.001 0.000 0.310 341 I C -1.249 174.889 176.117 0.036 0.000 1.117 341 I CA -1.260 60.062 61.300 0.037 0.000 1.003 341 I CB 1.956 39.985 38.000 0.049 0.000 1.228 341 I HN 0.240 nan 8.210 nan 0.000 0.443 342 V N 3.994 123.926 119.914 0.029 0.000 2.540 342 V HA 0.498 4.619 4.120 0.001 0.000 0.302 342 V C -0.216 175.888 176.094 0.015 0.000 1.035 342 V CA -0.393 61.920 62.300 0.022 0.000 0.873 342 V CB 1.769 33.601 31.823 0.015 0.000 0.992 342 V HN 0.513 nan 8.190 nan 0.000 0.428 343 I N 5.829 126.406 120.570 0.012 0.000 2.362 343 I HA 0.482 4.653 4.170 0.001 0.000 0.289 343 I C -0.376 175.730 176.117 -0.019 0.000 0.994 343 I CA -0.102 61.195 61.300 -0.006 0.000 1.158 343 I CB 1.270 39.265 38.000 -0.008 0.000 1.315 343 I HN 0.385 nan 8.210 nan 0.000 0.451 344 L N 4.635 125.836 121.223 -0.037 0.000 2.260 344 L HA 0.798 5.139 4.340 0.001 0.000 0.265 344 L C 1.101 177.922 176.870 -0.082 0.000 1.015 344 L CA -0.604 54.207 54.840 -0.049 0.000 0.826 344 L CB 1.305 43.334 42.059 -0.051 0.000 1.373 344 L HN 0.789 nan 8.230 nan 0.000 0.450 345 G N 0.262 109.011 108.800 -0.085 0.000 2.582 345 G HA2 -0.340 3.621 3.960 0.001 0.000 0.288 345 G HA3 -0.340 3.621 3.960 0.001 0.000 0.288 345 G C 0.597 175.403 174.900 -0.157 0.000 1.247 345 G CA 0.675 45.699 45.100 -0.128 0.000 0.972 345 G HN 0.706 nan 8.290 nan 0.000 0.557 346 K N -0.504 119.722 120.400 -0.291 0.000 2.097 346 K HA 0.004 4.325 4.320 0.001 0.000 0.206 346 K C 2.640 179.098 176.600 -0.236 0.000 1.049 346 K CA 1.490 57.565 56.287 -0.352 0.000 0.933 346 K CB -0.242 31.824 32.500 -0.723 0.000 0.717 346 K HN 0.309 nan 8.250 nan 0.000 0.442 347 L N 2.004 123.033 121.223 -0.323 0.000 2.046 347 L HA -0.182 4.158 4.340 0.001 0.000 0.208 347 L C 2.172 179.092 176.870 0.083 0.000 1.077 347 L CA 1.825 56.687 54.840 0.036 0.000 0.747 347 L CB -0.362 41.703 42.059 0.010 0.000 0.896 347 L HN 0.029 nan 8.230 nan 0.000 0.432 348 K N -0.442 119.959 120.400 0.001 0.000 2.026 348 K HA -0.207 4.113 4.320 0.001 0.000 0.208 348 K C 1.939 178.570 176.600 0.052 0.000 1.048 348 K CA 1.909 58.201 56.287 0.008 0.000 0.929 348 K CB -0.108 32.381 32.500 -0.018 0.000 0.713 348 K HN 0.517 nan 8.250 nan 0.000 0.439 349 E N -0.270 119.967 120.200 0.061 0.000 2.077 349 E HA -0.216 4.135 4.350 0.001 0.000 0.193 349 E C 1.770 178.463 176.600 0.155 0.000 0.989 349 E CA 0.868 57.317 56.400 0.082 0.000 0.800 349 E CB -0.248 29.481 29.700 0.048 0.000 0.746 349 E HN 0.491 nan 8.360 nan 0.000 0.452 350 W N 1.817 123.140 121.300 0.039 0.000 2.333 350 W HA -0.232 4.429 4.660 0.002 0.000 0.316 350 W C 2.304 178.831 176.519 0.014 0.000 1.215 350 W CA 2.135 59.519 57.345 0.065 0.000 1.278 350 W CB -0.533 29.020 29.460 0.154 0.000 1.154 350 W HN 0.044 nan 8.180 nan 0.000 0.486 351 A N 0.580 123.584 122.820 0.308 0.000 1.883 351 A HA -0.269 4.052 4.320 0.001 0.000 0.217 351 A C 1.890 179.464 177.584 -0.017 0.000 1.186 351 A CA 2.185 54.271 52.037 0.082 0.000 0.624 351 A CB -1.092 17.866 19.000 -0.070 0.000 0.822 351 A HN 0.490 nan 8.150 nan 0.000 0.444 352 E N -1.742 118.461 120.200 0.006 0.000 2.038 352 E HA -0.243 4.108 4.350 0.001 0.000 0.195 352 E C 1.916 178.491 176.600 -0.041 0.000 1.000 352 E CA 1.639 58.026 56.400 -0.022 0.000 0.803 352 E CB -0.354 29.349 29.700 0.004 0.000 0.750 352 E HN 0.751 nan 8.360 nan 0.000 0.448 353 Y N 0.968 121.203 120.300 -0.109 0.000 2.256 353 Y HA -0.168 4.382 4.550 0.001 0.000 0.288 353 Y C 1.810 177.607 175.900 -0.173 0.000 1.155 353 Y CA 1.314 59.324 58.100 -0.150 0.000 1.203 353 Y CB 0.331 38.666 38.460 -0.207 0.000 0.980 353 Y HN -0.150 nan 8.280 nan 0.000 0.530 354 R N -0.063 120.396 120.500 -0.070 0.000 2.320 354 R HA 0.144 4.484 4.340 0.001 0.000 0.211 354 R C 1.377 177.607 176.300 -0.116 0.000 0.931 354 R CA 0.709 56.750 56.100 -0.099 0.000 1.071 354 R CB -0.628 29.620 30.300 -0.088 0.000 1.025 354 R HN 0.530 nan 8.270 nan 0.000 0.495 355 G N 1.473 110.185 108.800 -0.146 0.000 2.148 355 G HA2 -0.271 3.689 3.960 0.001 0.000 0.254 355 G HA3 -0.271 3.689 3.960 0.001 0.000 0.254 355 G C 0.260 175.061 174.900 -0.165 0.000 0.981 355 G CA -0.072 44.958 45.100 -0.116 0.000 0.670 355 G HN 0.351 nan 8.290 nan 0.000 0.528 356 I N 1.811 122.192 120.570 -0.315 0.000 2.372 356 I HA 0.066 4.237 4.170 0.001 0.000 0.298 356 I C 0.883 176.806 176.117 -0.323 0.000 1.137 356 I CA -0.475 60.428 61.300 -0.662 0.000 1.314 356 I CB 0.247 37.815 38.000 -0.720 0.000 1.444 356 I HN 0.178 nan 8.210 nan 0.000 0.541 357 N N 6.707 125.328 118.700 -0.131 0.000 2.438 357 N HA 0.020 4.760 4.740 0.001 0.000 0.267 357 N C 0.937 176.501 175.510 0.090 0.000 1.222 357 N CA 0.121 53.195 53.050 0.039 0.000 0.930 357 N CB 1.009 39.582 38.487 0.143 0.000 1.083 357 N HN 0.600 nan 8.380 nan 0.000 0.476 358 L N 2.584 123.840 121.223 0.055 0.000 2.131 358 L HA -0.158 4.183 4.340 0.001 0.000 0.210 358 L C 2.318 179.284 176.870 0.159 0.000 1.092 358 L CA 0.699 55.601 54.840 0.104 0.000 0.759 358 L CB -0.280 41.809 42.059 0.051 0.000 0.903 358 L HN 0.511 nan 8.230 nan 0.000 0.435 359 S N 0.454 116.226 115.700 0.119 0.000 2.345 359 S HA -0.171 4.300 4.470 0.001 0.000 0.220 359 S C 1.956 176.632 174.600 0.128 0.000 1.031 359 S CA 1.641 59.904 58.200 0.104 0.000 0.996 359 S CB -0.265 62.977 63.200 0.071 0.000 0.882 359 S HN 0.493 nan 8.310 nan 0.000 0.445 360 I N -0.005 120.665 120.570 0.167 0.000 2.361 360 I HA -0.149 4.022 4.170 0.001 0.000 0.251 360 I C 1.985 178.237 176.117 0.224 0.000 1.133 360 I CA 1.398 62.798 61.300 0.166 0.000 1.413 360 I CB -0.388 37.703 38.000 0.152 0.000 1.073 360 I HN 0.314 nan 8.210 nan 0.000 0.424 361 Y N 1.856 122.297 120.300 0.236 0.000 2.145 361 Y HA -0.242 4.309 4.550 0.001 0.000 0.286 361 Y C 2.508 178.474 175.900 0.110 0.000 1.145 361 Y CA 2.116 60.348 58.100 0.221 0.000 1.148 361 Y CB -0.098 38.442 38.460 0.133 0.000 0.981 361 Y HN 0.225 nan 8.280 nan 0.000 0.507 362 E N 0.527 120.778 120.200 0.085 0.000 2.085 362 E HA -0.217 4.134 4.350 0.001 0.000 0.194 362 E C 1.998 178.554 176.600 -0.074 0.000 0.994 362 E CA 1.557 57.950 56.400 -0.011 0.000 0.801 362 E CB -0.181 29.552 29.700 0.056 0.000 0.743 362 E HN 0.608 nan 8.360 nan 0.000 0.453 363 K N 0.522 120.899 120.400 -0.039 0.000 2.057 363 K HA -0.068 4.253 4.320 0.001 0.000 0.206 363 K C 2.349 178.892 176.600 -0.094 0.000 1.050 363 K CA 0.957 57.215 56.287 -0.048 0.000 0.935 363 K CB -0.305 32.183 32.500 -0.020 0.000 0.715 363 K HN -0.011 nan 8.250 nan 0.000 0.439 364 V N 2.550 122.383 119.914 -0.135 0.000 2.295 364 V HA -0.255 3.866 4.120 0.001 0.000 0.246 364 V C 2.535 178.499 176.094 -0.216 0.000 1.049 364 V CA 2.170 64.367 62.300 -0.171 0.000 1.024 364 V CB -0.631 31.093 31.823 -0.167 0.000 0.648 364 V HN 0.418 nan 8.190 nan 0.000 0.447 365 R N -0.306 119.979 120.500 -0.357 0.000 2.235 365 R HA 0.005 4.346 4.340 0.001 0.000 0.213 365 R C 0.670 176.881 176.300 -0.148 0.000 1.059 365 R CA 0.432 56.364 56.100 -0.280 0.000 0.997 365 R CB -0.047 30.023 30.300 -0.383 0.000 0.884 365 R HN 0.330 nan 8.270 nan 0.000 0.462 366 K N 0.000 120.323 120.400 -0.128 0.000 2.780 366 K HA 0.000 4.321 4.320 0.001 0.000 0.191 366 K CA 0.000 56.243 56.287 -0.073 0.000 0.838 366 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 366 K HN 0.000 nan 8.250 nan 0.000 0.543