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 2plj_1_B DATA FIRST_RESID 17 DATA SEQUENCE VLSAEEIHLI EASVEQFGAP LLLLDCDVIR QQYRALKNAL PNVTLHYALK DATA SEQUENCE PLPHPVVVRT LLAEGASFDL ATTGEVELVA SEGVPADLTI HTHPIKRDAD DATA SEQUENCE IRDALAYGCN VFVVDNLNEL EKFKAYRDDV ELLVRLSFXX XXXXXXXSKK DATA SEQUENCE FGCSPEQALV IIETAKEWNI RIKGLSFHVG SQTTNPNKYV EAIHTCRHVM DATA SEQUENCE EQVVERGLPA LSTLDIGGGF PVNYTQQVMP IDQFCAPINE ALSLLPETVH DATA SEQUENCE VLAEPGRFIC APAVTSVASV MGQAEREGQI WYYLDDGIYG SFSGLMFDDA DATA SEQUENCE RYPLTTIKXX GELIPSVLSG PTCDSVDVIA ENILLPKLNN GDLVIGRTMG DATA SEQUENCE AYTSATATDF NFFKRAQTIA LNEF 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 17 V HA 0.000 nan 4.120 nan 0.000 0.244 17 V C 0.000 176.097 176.094 0.005 0.000 1.182 17 V CA 0.000 62.303 62.300 0.006 0.000 1.235 17 V CB 0.000 31.825 31.823 0.004 0.000 1.184 18 L N 4.077 125.303 121.223 0.005 0.000 2.365 18 L HA 0.699 5.039 4.340 -0.000 0.000 0.273 18 L C 0.449 177.323 176.870 0.008 0.000 1.000 18 L CA -0.515 54.328 54.840 0.006 0.000 0.819 18 L CB 2.322 44.385 42.059 0.008 0.000 1.284 18 L HN 0.834 nan 8.230 nan 0.000 0.418 19 S N 1.366 117.070 115.700 0.007 0.000 2.589 19 S HA 0.292 4.762 4.470 -0.000 0.000 0.265 19 S C 1.226 175.837 174.600 0.018 0.000 1.342 19 S CA -0.035 58.171 58.200 0.009 0.000 1.005 19 S CB 1.481 64.684 63.200 0.005 0.000 0.909 19 S HN 0.728 nan 8.310 nan 0.000 0.555 20 A N 0.880 123.710 122.820 0.017 0.000 1.940 20 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 20 A C 2.153 179.765 177.584 0.047 0.000 1.176 20 A CA 1.628 53.681 52.037 0.027 0.000 0.631 20 A CB -0.937 18.072 19.000 0.014 0.000 0.814 20 A HN 0.943 nan 8.150 nan 0.000 0.446 21 E N -0.616 119.603 120.200 0.033 0.000 2.152 21 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 21 E C 1.972 178.619 176.600 0.078 0.000 0.983 21 E CA 1.030 57.459 56.400 0.050 0.000 0.818 21 E CB -0.119 29.591 29.700 0.015 0.000 0.758 21 E HN 0.754 nan 8.360 nan 0.000 0.467 22 E N 0.807 121.035 120.200 0.046 0.000 2.051 22 E HA -0.176 4.174 4.350 -0.000 0.000 0.192 22 E C 2.131 178.757 176.600 0.044 0.000 0.991 22 E CA 0.857 57.279 56.400 0.036 0.000 0.799 22 E CB -0.069 29.640 29.700 0.016 0.000 0.748 22 E HN 0.209 nan 8.360 nan 0.000 0.449 23 I N 0.860 121.458 120.570 0.047 0.000 2.163 23 I HA -0.338 3.832 4.170 -0.000 0.000 0.243 23 I C 2.717 178.866 176.117 0.053 0.000 1.085 23 I CA 1.381 62.706 61.300 0.041 0.000 1.347 23 I CB -0.432 37.591 38.000 0.039 0.000 1.044 23 I HN 0.299 nan 8.210 nan 0.000 0.408 24 H N 1.124 120.197 119.070 0.005 0.000 2.352 24 H HA -0.192 4.364 4.556 -0.000 0.000 0.299 24 H C 2.244 177.580 175.328 0.013 0.000 1.097 24 H CA 1.643 57.695 56.048 0.007 0.000 1.311 24 H CB -0.101 29.665 29.762 0.005 0.000 1.377 24 H HN 0.259 nan 8.280 nan 0.000 0.504 25 L N 1.038 122.311 121.223 0.084 0.000 2.017 25 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 25 L C 2.515 179.375 176.870 -0.017 0.000 1.073 25 L CA 1.383 56.248 54.840 0.041 0.000 0.745 25 L CB -0.911 41.194 42.059 0.076 0.000 0.894 25 L HN 0.292 nan 8.230 nan 0.000 0.432 26 I N 0.305 120.870 120.570 -0.009 0.000 2.127 26 I HA -0.342 3.828 4.170 -0.000 0.000 0.241 26 I C 2.536 178.637 176.117 -0.026 0.000 1.075 26 I CA 1.569 62.864 61.300 -0.007 0.000 1.334 26 I CB -0.255 37.744 38.000 -0.002 0.000 1.040 26 I HN 0.327 nan 8.210 nan 0.000 0.405 27 E N 0.766 120.926 120.200 -0.066 0.000 2.077 27 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 27 E C 2.335 178.867 176.600 -0.114 0.000 0.989 27 E CA 1.251 57.601 56.400 -0.083 0.000 0.800 27 E CB -0.199 29.446 29.700 -0.092 0.000 0.746 27 E HN 0.525 nan 8.360 nan 0.000 0.452 28 A N 0.977 123.677 122.820 -0.200 0.000 1.902 28 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 28 A C 2.349 179.897 177.584 -0.060 0.000 1.181 28 A CA 1.667 53.595 52.037 -0.182 0.000 0.623 28 A CB -0.440 18.407 19.000 -0.254 0.000 0.818 28 A HN 0.112 nan 8.150 nan 0.000 0.443 29 S N -0.498 115.216 115.700 0.023 0.000 2.368 29 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 29 S C 1.887 176.595 174.600 0.181 0.000 1.030 29 S CA 1.417 59.730 58.200 0.189 0.000 0.999 29 S CB -0.436 62.871 63.200 0.178 0.000 0.844 29 S HN 0.343 nan 8.310 nan 0.000 0.459 30 V N 1.805 121.766 119.914 0.078 0.000 2.343 30 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 30 V C 2.464 178.565 176.094 0.012 0.000 1.051 30 V CA 1.799 64.136 62.300 0.061 0.000 1.036 30 V CB -0.595 31.248 31.823 0.032 0.000 0.654 30 V HN 0.530 nan 8.190 nan 0.000 0.451 31 E N -0.102 120.077 120.200 -0.035 0.000 2.085 31 E HA -0.335 4.015 4.350 -0.000 0.000 0.194 31 E C 2.270 178.797 176.600 -0.123 0.000 0.994 31 E CA 2.067 58.425 56.400 -0.070 0.000 0.801 31 E CB -0.023 29.625 29.700 -0.085 0.000 0.743 31 E HN 0.731 nan 8.360 nan 0.000 0.453 32 Q N -1.138 118.529 119.800 -0.221 0.000 2.089 32 Q HA -0.069 4.271 4.340 -0.000 0.000 0.195 32 Q C 1.412 177.099 176.000 -0.522 0.000 0.963 32 Q CA 1.228 56.741 55.803 -0.484 0.000 0.834 32 Q CB 0.079 28.305 28.738 -0.854 0.000 0.906 32 Q HN 0.298 nan 8.270 nan 0.000 0.452 33 F N -0.512 119.437 119.950 -0.000 0.000 2.720 33 F HA 0.392 4.919 4.527 -0.000 0.000 0.301 33 F C 1.236 177.043 175.800 0.013 0.000 1.103 33 F CA 0.180 58.184 58.000 0.007 0.000 1.291 33 F CB 0.922 39.926 39.000 0.006 0.000 1.086 33 F HN 0.303 nan 8.300 nan 0.000 0.592 34 G N 1.176 110.062 108.800 0.143 0.000 2.542 34 G HA2 0.145 4.105 3.960 -0.000 0.000 0.235 34 G HA3 0.145 4.105 3.960 -0.000 0.000 0.235 34 G C -0.711 174.256 174.900 0.112 0.000 1.286 34 G CA -0.495 44.666 45.100 0.102 0.000 0.904 34 G HN 0.825 nan 8.290 nan 0.000 0.577 35 A N -0.081 122.796 122.820 0.095 0.000 2.587 35 A HA 0.928 5.248 4.320 -0.000 0.000 0.293 35 A C -2.758 174.882 177.584 0.093 0.000 1.087 35 A CA -0.161 51.927 52.037 0.086 0.000 0.692 35 A CB 1.879 20.922 19.000 0.071 0.000 1.291 35 A HN 1.087 nan 8.150 nan 0.000 0.407 36 P HA 0.662 nan 4.420 nan 0.000 0.279 36 P C -1.048 176.282 177.300 0.050 0.000 1.252 36 P CA -0.208 62.935 63.100 0.072 0.000 0.811 36 P CB 0.869 32.618 31.700 0.081 0.000 1.035 37 L N 0.781 122.020 121.223 0.025 0.000 2.350 37 L HA 0.550 4.890 4.340 -0.000 0.000 0.260 37 L C -0.267 176.576 176.870 -0.046 0.000 1.015 37 L CA -1.049 53.785 54.840 -0.011 0.000 0.821 37 L CB 1.963 44.020 42.059 -0.003 0.000 1.370 37 L HN 0.185 nan 8.230 nan 0.000 0.416 38 L N 3.134 124.310 121.223 -0.078 0.000 2.343 38 L HA 0.493 4.833 4.340 -0.000 0.000 0.278 38 L C -0.842 175.953 176.870 -0.125 0.000 0.996 38 L CA -0.393 54.382 54.840 -0.107 0.000 0.831 38 L CB 1.731 43.721 42.059 -0.115 0.000 1.232 38 L HN 0.376 nan 8.230 nan 0.000 0.413 39 L N 4.999 126.155 121.223 -0.113 0.000 2.261 39 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 39 L C -0.396 176.392 176.870 -0.137 0.000 1.059 39 L CA -0.483 54.287 54.840 -0.116 0.000 0.816 39 L CB 1.252 43.266 42.059 -0.075 0.000 1.191 39 L HN 0.421 nan 8.230 nan 0.000 0.431 40 L N 3.740 124.858 121.223 -0.174 0.000 2.262 40 L HA 0.387 4.727 4.340 -0.000 0.000 0.288 40 L C -0.337 176.430 176.870 -0.173 0.000 1.035 40 L CA 0.050 54.769 54.840 -0.201 0.000 0.820 40 L CB 1.043 42.919 42.059 -0.304 0.000 1.204 40 L HN 0.372 nan 8.230 nan 0.000 0.424 41 D N 4.054 124.367 120.400 -0.145 0.000 2.411 41 D HA 0.133 4.773 4.640 -0.000 0.000 0.225 41 D C 0.901 177.119 176.300 -0.137 0.000 1.156 41 D CA -0.211 53.715 54.000 -0.123 0.000 0.874 41 D CB 0.995 41.737 40.800 -0.097 0.000 1.034 41 D HN 0.775 nan 8.370 nan 0.000 0.502 42 C N 2.659 121.869 119.300 -0.150 0.000 2.410 42 C HA -0.124 4.336 4.460 -0.000 0.000 0.281 42 C C 2.018 176.933 174.990 -0.126 0.000 1.318 42 C CA 0.237 59.160 59.018 -0.158 0.000 1.776 42 C CB -0.353 27.273 27.740 -0.189 0.000 1.942 42 C HN 0.646 nan 8.230 nan 0.000 0.508 43 D N 0.598 120.938 120.400 -0.100 0.000 2.144 43 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 43 D C 2.158 178.412 176.300 -0.077 0.000 0.984 43 D CA 1.070 55.025 54.000 -0.075 0.000 0.834 43 D CB -0.296 40.469 40.800 -0.057 0.000 0.955 43 D HN 0.314 nan 8.370 nan 0.000 0.465 44 V N 1.527 121.385 119.914 -0.093 0.000 2.427 44 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 44 V C 2.469 178.495 176.094 -0.114 0.000 1.051 44 V CA 0.749 62.986 62.300 -0.105 0.000 1.048 44 V CB -0.194 31.558 31.823 -0.118 0.000 0.666 44 V HN 0.160 nan 8.190 nan 0.000 0.456 45 I N 0.310 120.805 120.570 -0.125 0.000 2.118 45 I HA -0.272 3.898 4.170 -0.000 0.000 0.241 45 I C 2.668 178.739 176.117 -0.077 0.000 1.070 45 I CA 1.890 63.110 61.300 -0.133 0.000 1.327 45 I CB -1.283 36.610 38.000 -0.179 0.000 1.034 45 I HN 0.332 nan 8.210 nan 0.000 0.405 46 R N 0.200 120.659 120.500 -0.070 0.000 2.083 46 R HA -0.203 4.137 4.340 -0.000 0.000 0.237 46 R C 2.312 178.631 176.300 0.032 0.000 1.137 46 R CA 1.458 57.548 56.100 -0.017 0.000 0.951 46 R CB -0.347 29.931 30.300 -0.036 0.000 0.851 46 R HN 0.519 nan 8.270 nan 0.000 0.434 47 Q N -0.043 119.749 119.800 -0.013 0.000 2.050 47 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 47 Q C 2.299 178.299 176.000 0.000 0.000 0.980 47 Q CA 1.296 57.090 55.803 -0.013 0.000 0.840 47 Q CB 0.048 28.759 28.738 -0.046 0.000 0.898 47 Q HN 0.271 nan 8.270 nan 0.000 0.424 48 Q N -0.445 119.335 119.800 -0.033 0.000 2.084 48 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 48 Q C 1.884 177.971 176.000 0.145 0.000 0.978 48 Q CA 1.414 57.201 55.803 -0.027 0.000 0.844 48 Q CB -0.547 28.063 28.738 -0.214 0.000 0.898 48 Q HN 0.493 nan 8.270 nan 0.000 0.426 49 Y N 1.683 121.981 120.300 -0.003 0.000 2.097 49 Y HA -0.233 4.317 4.550 -0.000 0.000 0.282 49 Y C 2.360 178.249 175.900 -0.017 0.000 1.152 49 Y CA 1.835 59.926 58.100 -0.014 0.000 1.136 49 Y CB -0.083 38.329 38.460 -0.080 0.000 0.975 49 Y HN -0.002 nan 8.280 nan 0.000 0.498 50 R N -0.046 120.464 120.500 0.016 0.000 2.081 50 R HA -0.158 4.181 4.340 -0.000 0.000 0.235 50 R C 2.522 178.756 176.300 -0.110 0.000 1.131 50 R CA 1.235 57.298 56.100 -0.062 0.000 0.960 50 R CB -0.666 29.652 30.300 0.029 0.000 0.856 50 R HN 0.461 nan 8.270 nan 0.000 0.436 51 A N 1.026 123.828 122.820 -0.031 0.000 1.898 51 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 51 A C 2.056 179.585 177.584 -0.091 0.000 1.181 51 A CA 0.985 53.020 52.037 -0.003 0.000 0.620 51 A CB -0.376 18.690 19.000 0.109 0.000 0.819 51 A HN 0.212 nan 8.150 nan 0.000 0.442 52 L N -0.242 120.897 121.223 -0.140 0.000 2.056 52 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 52 L C 2.203 178.825 176.870 -0.413 0.000 1.078 52 L CA 1.908 56.503 54.840 -0.409 0.000 0.749 52 L CB -0.483 41.270 42.059 -0.510 0.000 0.901 52 L HN 0.245 nan 8.230 nan 0.000 0.433 53 K N -0.356 119.773 120.400 -0.450 0.000 2.063 53 K HA -0.174 4.146 4.320 -0.000 0.000 0.208 53 K C 1.900 178.353 176.600 -0.244 0.000 1.048 53 K CA 1.539 57.587 56.287 -0.399 0.000 0.928 53 K CB -0.320 31.896 32.500 -0.473 0.000 0.713 53 K HN 0.434 nan 8.250 nan 0.000 0.442 54 N N 0.648 119.231 118.700 -0.196 0.000 2.188 54 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 54 N C 1.662 177.094 175.510 -0.130 0.000 1.018 54 N CA 1.141 54.113 53.050 -0.130 0.000 0.858 54 N CB -0.146 38.286 38.487 -0.091 0.000 0.989 54 N HN 0.175 nan 8.380 nan 0.000 0.426 55 A N 0.268 122.987 122.820 -0.168 0.000 2.014 55 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 55 A C 1.174 178.658 177.584 -0.168 0.000 1.163 55 A CA 0.681 52.621 52.037 -0.161 0.000 0.652 55 A CB -0.034 18.842 19.000 -0.207 0.000 0.808 55 A HN 0.207 nan 8.150 nan 0.000 0.449 56 L N 0.932 122.031 121.223 -0.206 0.000 2.581 56 L HA 0.279 4.619 4.340 -0.000 0.000 0.241 56 L C -2.734 174.052 176.870 -0.140 0.000 1.265 56 L CA -2.001 52.733 54.840 -0.178 0.000 0.954 56 L CB 1.392 43.307 42.059 -0.241 0.000 1.269 56 L HN 0.025 nan 8.230 nan 0.000 0.475 57 P HA 0.055 nan 4.420 nan 0.000 0.267 57 P C 0.076 177.337 177.300 -0.066 0.000 1.200 57 P CA 0.390 63.441 63.100 -0.083 0.000 0.772 57 P CB 0.330 31.990 31.700 -0.065 0.000 0.855 58 N N -1.819 116.848 118.700 -0.056 0.000 2.778 58 N HA -0.145 4.595 4.740 -0.000 0.000 0.249 58 N C -0.786 174.710 175.510 -0.025 0.000 1.069 58 N CA 0.273 53.300 53.050 -0.038 0.000 0.831 58 N CB -1.382 37.080 38.487 -0.042 0.000 1.142 58 N HN 0.125 nan 8.380 nan 0.000 0.573 59 V N 1.136 121.027 119.914 -0.038 0.000 2.398 59 V HA 0.277 4.397 4.120 -0.000 0.000 0.286 59 V C 0.616 176.704 176.094 -0.009 0.000 1.026 59 V CA -0.413 61.879 62.300 -0.014 0.000 0.868 59 V CB 1.757 33.560 31.823 -0.032 0.000 0.982 59 V HN 0.046 nan 8.190 nan 0.000 0.443 60 T N 7.100 121.682 114.554 0.047 0.000 2.779 60 T HA 0.403 4.753 4.350 -0.000 0.000 0.296 60 T C -0.035 174.714 174.700 0.081 0.000 0.938 60 T CA -0.028 62.104 62.100 0.052 0.000 1.119 60 T CB 0.055 68.983 68.868 0.099 0.000 0.891 60 T HN 0.348 nan 8.240 nan 0.000 0.526 61 L N 5.054 126.281 121.223 0.007 0.000 2.255 61 L HA 0.315 4.655 4.340 -0.000 0.000 0.289 61 L C 0.582 177.439 176.870 -0.021 0.000 1.046 61 L CA -0.620 54.247 54.840 0.045 0.000 0.816 61 L CB 0.367 42.432 42.059 0.010 0.000 1.197 61 L HN 0.590 nan 8.230 nan 0.000 0.427 62 H N 3.670 122.762 119.070 0.038 0.000 2.741 62 H HA 0.072 4.628 4.556 -0.000 0.000 0.282 62 H C -0.675 174.685 175.328 0.053 0.000 1.122 62 H CA -0.566 55.484 56.048 0.004 0.000 1.293 62 H CB 0.948 30.723 29.762 0.023 0.000 1.415 62 H HN 0.437 nan 8.280 nan 0.000 0.472 63 Y N 2.937 123.188 120.300 -0.080 0.000 2.650 63 Y HA 0.144 4.694 4.550 -0.000 0.000 0.331 63 Y C -0.154 175.832 175.900 0.143 0.000 1.165 63 Y CA -0.972 57.145 58.100 0.028 0.000 1.473 63 Y CB 0.284 38.711 38.460 -0.054 0.000 1.224 63 Y HN 0.620 nan 8.280 nan 0.000 0.533 64 A N 7.393 129.949 122.820 -0.440 0.000 2.396 64 A HA 0.257 4.577 4.320 -0.000 0.000 0.279 64 A C 0.674 177.719 177.584 -0.898 0.000 1.165 64 A CA -0.509 51.261 52.037 -0.444 0.000 0.824 64 A CB 0.002 18.878 19.000 -0.207 0.000 1.100 64 A HN 0.964 nan 8.150 nan 0.000 0.516 65 L N 2.663 123.594 121.223 -0.485 0.000 2.131 65 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 65 L C 2.395 179.138 176.870 -0.212 0.000 1.092 65 L CA 1.782 56.440 54.840 -0.304 0.000 0.759 65 L CB -0.568 41.448 42.059 -0.072 0.000 0.903 65 L HN 0.794 nan 8.230 nan 0.000 0.435 66 K N -0.117 120.179 120.400 -0.174 0.000 2.071 66 K HA -0.230 4.090 4.320 -0.000 0.000 0.217 66 K C -0.346 176.182 176.600 -0.120 0.000 1.054 66 K CA 2.126 58.370 56.287 -0.072 0.000 0.937 66 K CB -1.708 30.808 32.500 0.027 0.000 0.719 66 K HN 0.376 nan 8.250 nan 0.000 0.454 67 P HA -0.096 nan 4.420 nan 0.000 0.221 67 P C 0.156 177.265 177.300 -0.318 0.000 1.150 67 P CA 1.083 63.738 63.100 -0.740 0.000 0.800 67 P CB 0.251 31.380 31.700 -0.951 0.000 0.787 68 L N 0.528 121.693 121.223 -0.096 0.000 2.491 68 L HA 0.374 4.714 4.340 -0.000 0.000 0.260 68 L C -2.821 174.137 176.870 0.147 0.000 1.200 68 L CA -1.541 53.324 54.840 0.041 0.000 0.882 68 L CB 1.613 43.707 42.059 0.059 0.000 1.058 68 L HN -0.259 nan 8.230 nan 0.000 0.487 69 P HA 0.141 nan 4.420 nan 0.000 0.212 69 P C -0.622 176.720 177.300 0.070 0.000 1.816 69 P CA 0.092 63.239 63.100 0.078 0.000 0.944 69 P CB -0.311 31.391 31.700 0.003 0.000 1.896 70 H N 2.121 121.210 119.070 0.032 0.000 2.489 70 H HA 0.231 4.787 4.556 -0.000 0.000 0.322 70 H C -1.654 173.658 175.328 -0.027 0.000 1.091 70 H CA -1.970 54.070 56.048 -0.014 0.000 1.291 70 H CB 1.802 31.545 29.762 -0.032 0.000 1.436 70 H HN -0.063 nan 8.280 nan 0.000 0.480 71 P HA -0.189 nan 4.420 nan 0.000 0.216 71 P C 1.567 178.903 177.300 0.061 0.000 1.150 71 P CA 0.990 64.052 63.100 -0.063 0.000 0.843 71 P CB 0.363 31.975 31.700 -0.146 0.000 0.787 72 V N -0.959 119.115 119.914 0.267 0.000 2.515 72 V HA -0.157 3.963 4.120 -0.000 0.000 0.250 72 V C 2.465 178.550 176.094 -0.015 0.000 1.058 72 V CA 1.433 63.782 62.300 0.082 0.000 1.064 72 V CB -1.225 30.606 31.823 0.013 0.000 0.675 72 V HN -0.025 nan 8.190 nan 0.000 0.461 73 V N -0.115 119.813 119.914 0.023 0.000 2.343 73 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 73 V C 2.465 178.529 176.094 -0.050 0.000 1.051 73 V CA 1.815 64.066 62.300 -0.082 0.000 1.036 73 V CB -0.384 31.389 31.823 -0.083 0.000 0.654 73 V HN 0.416 nan 8.190 nan 0.000 0.451 74 V N -0.121 119.814 119.914 0.035 0.000 2.295 74 V HA -0.263 3.857 4.120 -0.000 0.000 0.246 74 V C 2.606 178.717 176.094 0.028 0.000 1.049 74 V CA 2.102 64.430 62.300 0.047 0.000 1.024 74 V CB -0.766 30.980 31.823 -0.129 0.000 0.648 74 V HN 0.466 nan 8.190 nan 0.000 0.447 75 R N -0.376 120.109 120.500 -0.025 0.000 2.073 75 R HA -0.136 4.204 4.340 -0.000 0.000 0.234 75 R C 2.434 178.710 176.300 -0.040 0.000 1.134 75 R CA 1.934 58.016 56.100 -0.029 0.000 0.952 75 R CB -0.783 29.492 30.300 -0.042 0.000 0.850 75 R HN 0.506 nan 8.270 nan 0.000 0.433 76 T N 1.781 116.283 114.554 -0.086 0.000 2.684 76 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 76 T C 1.917 176.533 174.700 -0.140 0.000 1.036 76 T CA 1.186 63.209 62.100 -0.128 0.000 1.148 76 T CB -0.169 68.600 68.868 -0.165 0.000 0.863 76 T HN 0.130 nan 8.240 nan 0.000 0.436 77 L N 0.160 121.302 121.223 -0.135 0.000 2.056 77 L HA -0.010 4.330 4.340 -0.000 0.000 0.207 77 L C 2.449 179.222 176.870 -0.162 0.000 1.078 77 L CA 0.580 55.268 54.840 -0.254 0.000 0.749 77 L CB -0.537 41.363 42.059 -0.266 0.000 0.901 77 L HN 0.202 nan 8.230 nan 0.000 0.433 78 L N 0.495 121.807 121.223 0.148 0.000 2.013 78 L HA -0.238 4.101 4.340 -0.000 0.000 0.212 78 L C 2.604 179.474 176.870 -0.000 0.000 1.073 78 L CA 2.196 57.133 54.840 0.161 0.000 0.753 78 L CB -0.682 41.470 42.059 0.155 0.000 0.890 78 L HN 0.181 nan 8.230 nan 0.000 0.432 79 A N -1.436 121.365 122.820 -0.032 0.000 2.015 79 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 79 A C 2.167 179.703 177.584 -0.080 0.000 1.163 79 A CA 1.522 53.535 52.037 -0.040 0.000 0.646 79 A CB -0.555 18.428 19.000 -0.029 0.000 0.806 79 A HN 0.502 nan 8.150 nan 0.000 0.448 80 E N -1.148 118.949 120.200 -0.171 0.000 2.358 80 E HA 0.174 4.524 4.350 -0.000 0.000 0.195 80 E C 1.246 177.720 176.600 -0.210 0.000 1.010 80 E CA 0.846 57.107 56.400 -0.230 0.000 0.856 80 E CB -0.196 29.221 29.700 -0.471 0.000 0.795 80 E HN 0.769 nan 8.360 nan 0.000 0.504 81 G N -0.994 107.687 108.800 -0.198 0.000 2.144 81 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 81 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 81 G C 0.409 175.201 174.900 -0.181 0.000 0.988 81 G CA 0.157 45.187 45.100 -0.116 0.000 0.659 81 G HN 0.553 nan 8.290 nan 0.000 0.522 82 A N -0.050 122.502 122.820 -0.446 0.000 2.406 82 A HA 0.787 5.107 4.320 -0.000 0.000 0.243 82 A C 0.921 178.179 177.584 -0.542 0.000 1.082 82 A CA 1.143 52.854 52.037 -0.542 0.000 0.786 82 A CB 0.532 19.001 19.000 -0.885 0.000 1.029 82 A HN 0.998 nan 8.150 nan 0.000 0.495 83 S N -0.995 114.340 115.700 -0.608 0.000 2.745 83 S HA 0.842 5.312 4.470 -0.000 0.000 0.292 83 S C -0.973 173.113 174.600 -0.855 0.000 1.127 83 S CA -0.137 57.670 58.200 -0.654 0.000 1.007 83 S CB 0.564 63.158 63.200 -1.009 0.000 1.165 83 S HN 0.474 nan 8.310 nan 0.000 0.544 84 F N 0.595 120.572 119.950 0.045 0.000 2.588 84 F HA 0.408 4.935 4.527 -0.000 0.000 0.310 84 F C -0.537 175.416 175.800 0.255 0.000 1.082 84 F CA -0.970 57.136 58.000 0.177 0.000 0.929 84 F CB 1.571 40.647 39.000 0.128 0.000 1.254 84 F HN 0.381 nan 8.300 nan 0.000 0.455 85 D N 3.012 123.586 120.400 0.289 0.000 2.440 85 D HA 0.523 5.163 4.640 -0.000 0.000 0.239 85 D C -1.287 175.018 176.300 0.008 0.000 1.084 85 D CA -0.123 53.943 54.000 0.110 0.000 0.843 85 D CB 0.828 41.652 40.800 0.039 0.000 1.097 85 D HN 0.436 nan 8.370 nan 0.000 0.531 86 L N 2.577 123.768 121.223 -0.054 0.000 2.331 86 L HA 0.760 5.099 4.340 -0.000 0.000 0.275 86 L C 0.906 177.544 176.870 -0.387 0.000 1.022 86 L CA -0.888 53.850 54.840 -0.170 0.000 0.812 86 L CB 1.882 43.861 42.059 -0.134 0.000 1.257 86 L HN 0.543 nan 8.230 nan 0.000 0.435 87 A N 0.885 123.500 122.820 -0.343 0.000 2.312 87 A HA 0.336 4.656 4.320 -0.000 0.000 0.215 87 A C 0.573 178.040 177.584 -0.196 0.000 1.256 87 A CA 0.629 52.480 52.037 -0.310 0.000 0.966 87 A CB 0.455 19.391 19.000 -0.107 0.000 1.053 87 A HN 0.740 nan 8.150 nan 0.000 0.510 88 T N -5.466 109.006 114.554 -0.136 0.000 2.843 88 T HA 0.390 4.740 4.350 -0.000 0.000 0.302 88 T C 0.683 175.419 174.700 0.061 0.000 1.232 88 T CA 0.455 62.583 62.100 0.047 0.000 1.009 88 T CB 0.912 69.802 68.868 0.036 0.000 1.254 88 T HN -0.129 nan 8.240 nan 0.000 0.504 89 T N 1.100 115.708 114.554 0.091 0.000 2.737 89 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 89 T C 2.239 176.931 174.700 -0.013 0.000 1.040 89 T CA 2.111 64.240 62.100 0.048 0.000 1.142 89 T CB -1.003 67.886 68.868 0.036 0.000 0.861 89 T HN 0.906 nan 8.240 nan 0.000 0.456 90 G N 1.132 109.921 108.800 -0.018 0.000 2.440 90 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 90 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 90 G C 1.464 176.320 174.900 -0.074 0.000 1.154 90 G CA 0.693 45.768 45.100 -0.041 0.000 0.767 90 G HN 0.524 nan 8.290 nan 0.000 0.552 91 E N -0.112 120.043 120.200 -0.076 0.000 2.107 91 E HA -0.047 4.303 4.350 -0.000 0.000 0.191 91 E C 2.738 179.235 176.600 -0.170 0.000 0.982 91 E CA 0.661 56.996 56.400 -0.108 0.000 0.809 91 E CB -0.083 29.558 29.700 -0.100 0.000 0.756 91 E HN 0.294 nan 8.360 nan 0.000 0.459 92 V N 1.816 121.629 119.914 -0.168 0.000 2.287 92 V HA -0.287 3.833 4.120 -0.000 0.000 0.248 92 V C 2.044 177.892 176.094 -0.409 0.000 1.053 92 V CA 1.986 64.096 62.300 -0.318 0.000 1.027 92 V CB -0.467 31.260 31.823 -0.161 0.000 0.646 92 V HN 0.255 nan 8.190 nan 0.000 0.447 93 E N -0.397 119.667 120.200 -0.227 0.000 2.110 93 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 93 E C 2.103 178.590 176.600 -0.188 0.000 0.988 93 E CA 1.247 57.538 56.400 -0.181 0.000 0.804 93 E CB -0.200 29.439 29.700 -0.102 0.000 0.745 93 E HN 0.440 nan 8.360 nan 0.000 0.458 94 L N 0.992 122.105 121.223 -0.184 0.000 1.994 94 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 94 L C 2.480 179.218 176.870 -0.220 0.000 1.071 94 L CA 1.572 56.310 54.840 -0.171 0.000 0.745 94 L CB -0.574 41.401 42.059 -0.141 0.000 0.892 94 L HN 0.110 nan 8.230 nan 0.000 0.431 95 V N -2.236 117.497 119.914 -0.302 0.000 2.427 95 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 95 V C 2.525 178.461 176.094 -0.264 0.000 1.051 95 V CA 1.428 63.515 62.300 -0.356 0.000 1.048 95 V CB -1.932 29.632 31.823 -0.432 0.000 0.666 95 V HN 0.454 nan 8.190 nan 0.000 0.456 96 A N 1.935 124.547 122.820 -0.346 0.000 1.883 96 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 96 A C 2.637 180.184 177.584 -0.063 0.000 1.186 96 A CA 3.023 54.974 52.037 -0.144 0.000 0.624 96 A CB -1.265 17.616 19.000 -0.198 0.000 0.822 96 A HN 1.026 nan 8.150 nan 0.000 0.444 97 S N -0.497 115.143 115.700 -0.101 0.000 2.419 97 S HA -0.102 4.368 4.470 -0.000 0.000 0.233 97 S C 1.137 175.701 174.600 -0.060 0.000 1.016 97 S CA 1.334 59.494 58.200 -0.067 0.000 0.974 97 S CB -0.236 62.919 63.200 -0.076 0.000 0.786 97 S HN 0.527 nan 8.310 nan 0.000 0.492 98 E N 0.998 121.145 120.200 -0.088 0.000 2.465 98 E HA 0.245 4.595 4.350 -0.000 0.000 0.191 98 E C 1.205 177.773 176.600 -0.053 0.000 1.053 98 E CA 0.428 56.781 56.400 -0.079 0.000 0.869 98 E CB -0.213 29.414 29.700 -0.121 0.000 0.977 98 E HN 0.698 nan 8.360 nan 0.000 0.483 99 G N 1.273 110.059 108.800 -0.025 0.000 2.198 99 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.260 99 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.260 99 G C 0.387 175.302 174.900 0.025 0.000 1.025 99 G CA 0.374 45.482 45.100 0.013 0.000 0.769 99 G HN 0.190 nan 8.290 nan 0.000 0.507 100 V N 1.582 121.501 119.914 0.008 0.000 2.470 100 V HA 0.305 4.425 4.120 -0.000 0.000 0.276 100 V C -1.178 174.999 176.094 0.139 0.000 1.040 100 V CA -1.086 61.233 62.300 0.031 0.000 1.008 100 V CB 1.127 32.871 31.823 -0.133 0.000 0.990 100 V HN 0.199 nan 8.190 nan 0.000 0.477 101 P HA 0.146 nan 4.420 nan 0.000 0.268 101 P C 0.560 177.867 177.300 0.010 0.000 1.204 101 P CA -0.074 63.047 63.100 0.035 0.000 0.768 101 P CB 0.871 32.588 31.700 0.027 0.000 0.842 102 A N 3.680 126.361 122.820 -0.232 0.000 2.024 102 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 102 A C 1.639 179.161 177.584 -0.104 0.000 1.164 102 A CA 1.876 53.664 52.037 -0.414 0.000 0.643 102 A CB -1.088 17.401 19.000 -0.851 0.000 0.806 102 A HN 0.639 nan 8.150 nan 0.000 0.451 103 D N 0.036 120.402 120.400 -0.057 0.000 2.348 103 D HA -0.079 4.561 4.640 -0.000 0.000 0.216 103 D C 1.256 177.595 176.300 0.064 0.000 0.970 103 D CA 0.559 54.557 54.000 -0.002 0.000 0.889 103 D CB -0.519 40.274 40.800 -0.011 0.000 0.912 103 D HN 0.486 nan 8.370 nan 0.000 0.524 104 L N 0.390 121.677 121.223 0.108 0.000 2.592 104 L HA 0.166 4.506 4.340 -0.000 0.000 0.227 104 L C 0.800 177.830 176.870 0.267 0.000 1.127 104 L CA 0.166 55.097 54.840 0.152 0.000 0.884 104 L CB -0.217 41.956 42.059 0.191 0.000 1.065 104 L HN 0.097 nan 8.230 nan 0.000 0.457 105 T N -1.136 113.583 114.554 0.274 0.000 2.912 105 T HA 0.700 5.050 4.350 -0.000 0.000 0.288 105 T C -0.390 174.421 174.700 0.186 0.000 1.030 105 T CA -0.686 61.607 62.100 0.322 0.000 1.020 105 T CB 2.544 71.613 68.868 0.335 0.000 1.056 105 T HN 0.131 nan 8.240 nan 0.000 0.480 106 I N -0.902 119.735 120.570 0.111 0.000 2.828 106 I HA 0.590 4.760 4.170 -0.000 0.000 0.302 106 I C -1.065 175.021 176.117 -0.052 0.000 1.101 106 I CA -1.171 60.082 61.300 -0.080 0.000 1.031 106 I CB 2.472 40.327 38.000 -0.243 0.000 1.231 106 I HN 0.722 nan 8.210 nan 0.000 0.427 107 H N 3.692 122.618 119.070 -0.240 0.000 2.511 107 H HA 0.389 4.945 4.556 -0.000 0.000 0.328 107 H C -0.350 174.949 175.328 -0.048 0.000 1.044 107 H CA 0.041 56.009 56.048 -0.133 0.000 1.212 107 H CB 1.993 31.626 29.762 -0.214 0.000 1.428 107 H HN 0.905 nan 8.280 nan 0.000 0.483 108 T N 0.590 115.156 114.554 0.020 0.000 3.145 108 T HA 0.063 4.413 4.350 -0.000 0.000 0.281 108 T C 0.439 175.142 174.700 0.005 0.000 1.003 108 T CA -0.367 61.739 62.100 0.010 0.000 0.901 108 T CB -0.574 68.230 68.868 -0.106 0.000 1.112 108 T HN 0.632 nan 8.240 nan 0.000 0.535 109 H N 2.776 121.887 119.070 0.069 0.000 2.899 109 H HA 0.244 4.800 4.556 -0.000 0.000 0.303 109 H C -1.795 173.529 175.328 -0.008 0.000 1.042 109 H CA -1.785 54.258 56.048 -0.009 0.000 1.479 109 H CB 1.311 31.147 29.762 0.123 0.000 1.493 109 H HN -0.013 nan 8.280 nan 0.000 0.534 110 P HA -0.059 nan 4.420 nan 0.000 0.226 110 P C -0.511 176.921 177.300 0.220 0.000 1.153 110 P CA 0.930 64.024 63.100 -0.011 0.000 0.777 110 P CB 0.493 31.985 31.700 -0.345 0.000 0.794 111 I N 0.242 121.072 120.570 0.434 0.000 2.448 111 I HA 0.282 4.452 4.170 -0.000 0.000 0.281 111 I C -0.113 175.986 176.117 -0.031 0.000 1.027 111 I CA -0.702 60.739 61.300 0.235 0.000 1.111 111 I CB 1.607 39.806 38.000 0.331 0.000 1.236 111 I HN -0.175 nan 8.210 nan 0.000 0.452 112 K N 5.644 126.017 120.400 -0.045 0.000 2.427 112 K HA 0.617 4.937 4.320 -0.000 0.000 0.252 112 K C -0.404 176.109 176.600 -0.145 0.000 0.931 112 K CA -0.879 55.324 56.287 -0.141 0.000 0.793 112 K CB 2.970 35.381 32.500 -0.148 0.000 1.211 112 K HN 0.406 nan 8.250 nan 0.000 0.426 113 R N 0.775 121.192 120.500 -0.140 0.000 2.679 113 R HA -0.017 4.323 4.340 -0.000 0.000 0.269 113 R C 0.728 176.925 176.300 -0.171 0.000 1.076 113 R CA -0.209 55.817 56.100 -0.123 0.000 1.160 113 R CB 0.296 30.544 30.300 -0.086 0.000 1.054 113 R HN 0.714 nan 8.270 nan 0.000 0.507 114 D N 1.418 121.731 120.400 -0.146 0.000 2.133 114 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 114 D C 1.676 177.881 176.300 -0.157 0.000 0.997 114 D CA 2.064 55.972 54.000 -0.153 0.000 0.840 114 D CB 0.105 40.865 40.800 -0.066 0.000 0.947 114 D HN 0.605 nan 8.370 nan 0.000 0.452 115 A N 0.428 123.185 122.820 -0.104 0.000 1.908 115 A HA -0.209 4.111 4.320 -0.000 0.000 0.218 115 A C 1.932 179.458 177.584 -0.097 0.000 1.181 115 A CA 1.974 53.963 52.037 -0.080 0.000 0.627 115 A CB -0.655 18.317 19.000 -0.047 0.000 0.818 115 A HN 0.246 nan 8.150 nan 0.000 0.445 116 D N 0.200 120.533 120.400 -0.113 0.000 2.104 116 D HA -0.160 4.480 4.640 -0.000 0.000 0.194 116 D C 1.878 178.076 176.300 -0.170 0.000 0.994 116 D CA 1.462 55.407 54.000 -0.093 0.000 0.830 116 D CB -0.426 40.318 40.800 -0.094 0.000 0.959 116 D HN 0.562 nan 8.370 nan 0.000 0.452 117 I N 0.818 121.177 120.570 -0.353 0.000 2.142 117 I HA -0.249 3.921 4.170 -0.000 0.000 0.240 117 I C 2.598 178.481 176.117 -0.389 0.000 1.078 117 I CA 1.105 62.048 61.300 -0.595 0.000 1.343 117 I CB -0.193 37.208 38.000 -0.999 0.000 1.046 117 I HN -0.090 nan 8.210 nan 0.000 0.405 118 R N 0.663 120.966 120.500 -0.329 0.000 2.081 118 R HA -0.168 4.171 4.340 -0.000 0.000 0.235 118 R C 1.918 178.195 176.300 -0.037 0.000 1.131 118 R CA 1.631 57.625 56.100 -0.177 0.000 0.960 118 R CB -0.495 29.755 30.300 -0.083 0.000 0.856 118 R HN 0.394 nan 8.270 nan 0.000 0.436 119 D N 0.725 121.117 120.400 -0.012 0.000 2.117 119 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 119 D C 1.844 178.218 176.300 0.124 0.000 0.987 119 D CA 1.593 55.623 54.000 0.050 0.000 0.829 119 D CB -0.263 40.562 40.800 0.042 0.000 0.961 119 D HN 0.248 nan 8.370 nan 0.000 0.460 120 A N 0.683 123.605 122.820 0.171 0.000 1.873 120 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 120 A C 2.417 180.172 177.584 0.285 0.000 1.186 120 A CA 0.808 53.023 52.037 0.297 0.000 0.616 120 A CB -0.795 18.452 19.000 0.412 0.000 0.823 120 A HN 0.189 nan 8.150 nan 0.000 0.442 121 L N -0.711 120.654 121.223 0.236 0.000 2.083 121 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 121 L C 3.100 180.040 176.870 0.116 0.000 1.083 121 L CA 1.006 55.947 54.840 0.168 0.000 0.752 121 L CB -0.546 41.566 42.059 0.088 0.000 0.899 121 L HN 0.462 nan 8.230 nan 0.000 0.433 122 A N -0.486 122.403 122.820 0.115 0.000 1.908 122 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 122 A C 2.200 179.863 177.584 0.133 0.000 1.181 122 A CA 1.788 53.886 52.037 0.102 0.000 0.627 122 A CB -0.930 18.124 19.000 0.090 0.000 0.818 122 A HN 0.505 nan 8.150 nan 0.000 0.445 123 Y N -0.020 120.304 120.300 0.039 0.000 2.224 123 Y HA 0.131 4.680 4.550 -0.000 0.000 0.289 123 Y C 1.679 177.597 175.900 0.030 0.000 1.146 123 Y CA 1.625 59.743 58.100 0.030 0.000 1.182 123 Y CB -0.282 38.197 38.460 0.032 0.000 0.983 123 Y HN 0.544 nan 8.280 nan 0.000 0.524 124 G N -1.759 106.965 108.800 -0.127 0.000 2.227 124 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.168 124 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.168 124 G C -0.076 174.719 174.900 -0.176 0.000 1.006 124 G CA -0.263 44.714 45.100 -0.205 0.000 0.684 124 G HN 0.558 nan 8.290 nan 0.000 0.489 125 C N 2.249 121.500 119.300 -0.082 0.000 2.651 125 C HA 0.561 5.021 4.460 -0.000 0.000 0.410 125 C C 1.590 176.501 174.990 -0.132 0.000 1.372 125 C CA 0.701 59.687 59.018 -0.053 0.000 1.707 125 C CB -1.253 26.541 27.740 0.090 0.000 2.501 125 C HN 0.660 nan 8.230 nan 0.000 0.598 126 N N 3.415 122.015 118.700 -0.167 0.000 2.170 126 N HA 0.216 4.956 4.740 -0.000 0.000 0.222 126 N C -0.948 174.463 175.510 -0.164 0.000 1.218 126 N CA -0.352 52.667 53.050 -0.052 0.000 0.889 126 N CB 0.515 39.030 38.487 0.046 0.000 1.083 126 N HN 0.387 nan 8.380 nan 0.000 0.520 127 V N 1.576 121.236 119.914 -0.424 0.000 2.398 127 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 127 V C -1.023 174.728 176.094 -0.572 0.000 1.026 127 V CA -0.418 61.691 62.300 -0.318 0.000 0.868 127 V CB 0.412 32.116 31.823 -0.198 0.000 0.982 127 V HN 0.111 nan 8.190 nan 0.000 0.443 128 F N 2.624 122.517 119.950 -0.094 0.000 2.620 128 F HA 0.702 5.229 4.527 -0.000 0.000 0.320 128 F C -0.083 175.656 175.800 -0.102 0.000 1.069 128 F CA -1.001 56.961 58.000 -0.063 0.000 0.953 128 F CB 2.062 41.002 39.000 -0.100 0.000 1.322 128 F HN 0.145 nan 8.300 nan 0.000 0.479 129 V N 2.355 122.392 119.914 0.205 0.000 2.547 129 V HA 0.748 4.868 4.120 -0.000 0.000 0.299 129 V C -0.730 175.433 176.094 0.115 0.000 1.040 129 V CA -0.761 61.592 62.300 0.088 0.000 0.913 129 V CB 1.785 33.632 31.823 0.041 0.000 0.992 129 V HN 0.619 nan 8.190 nan 0.000 0.449 130 V N 0.928 120.882 119.914 0.067 0.000 2.876 130 V HA 0.772 4.892 4.120 -0.000 0.000 0.312 130 V C -0.349 175.792 176.094 0.078 0.000 1.085 130 V CA -0.564 61.800 62.300 0.108 0.000 0.945 130 V CB 2.134 34.030 31.823 0.122 0.000 1.017 130 V HN 0.861 nan 8.190 nan 0.000 0.428 131 D N 0.828 121.288 120.400 0.100 0.000 2.556 131 D HA 0.210 4.850 4.640 -0.000 0.000 0.237 131 D C -0.133 176.219 176.300 0.087 0.000 1.296 131 D CA 0.404 54.455 54.000 0.085 0.000 0.807 131 D CB -0.176 40.687 40.800 0.104 0.000 1.084 131 D HN 0.929 nan 8.370 nan 0.000 0.510 132 N N -1.279 117.481 118.700 0.100 0.000 2.961 132 N HA 0.205 4.945 4.740 -0.000 0.000 0.245 132 N C -0.129 175.446 175.510 0.109 0.000 1.404 132 N CA -0.895 52.210 53.050 0.092 0.000 0.880 132 N CB 0.674 39.220 38.487 0.098 0.000 1.461 132 N HN -0.162 nan 8.380 nan 0.000 0.510 133 L N -0.234 121.047 121.223 0.096 0.000 2.217 133 L HA -0.009 4.331 4.340 -0.000 0.000 0.211 133 L C 2.160 179.156 176.870 0.210 0.000 1.107 133 L CA 0.787 55.707 54.840 0.133 0.000 0.783 133 L CB -0.531 41.583 42.059 0.092 0.000 0.919 133 L HN 0.750 nan 8.230 nan 0.000 0.442 134 N N 0.643 119.436 118.700 0.155 0.000 2.120 134 N HA -0.259 4.481 4.740 -0.000 0.000 0.188 134 N C 1.817 177.412 175.510 0.141 0.000 1.024 134 N CA 1.705 54.837 53.050 0.136 0.000 0.852 134 N CB 0.213 38.757 38.487 0.096 0.000 1.003 134 N HN 0.290 nan 8.380 nan 0.000 0.424 135 E N 0.661 120.956 120.200 0.159 0.000 2.072 135 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 135 E C 2.044 178.817 176.600 0.288 0.000 0.985 135 E CA 0.485 56.994 56.400 0.181 0.000 0.801 135 E CB -0.493 29.328 29.700 0.202 0.000 0.750 135 E HN 0.290 nan 8.360 nan 0.000 0.452 136 L N 1.383 122.801 121.223 0.324 0.000 2.043 136 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 136 L C 2.175 179.345 176.870 0.500 0.000 1.075 136 L CA 2.117 57.215 54.840 0.430 0.000 0.752 136 L CB -0.519 41.742 42.059 0.337 0.000 0.891 136 L HN 0.258 nan 8.230 nan 0.000 0.432 137 E N -0.281 120.164 120.200 0.408 0.000 2.204 137 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 137 E C 1.949 178.549 176.600 -0.001 0.000 0.990 137 E CA 0.993 57.478 56.400 0.142 0.000 0.821 137 E CB 0.020 29.742 29.700 0.037 0.000 0.750 137 E HN 0.591 nan 8.360 nan 0.000 0.477 138 K N -0.544 119.853 120.400 -0.005 0.000 2.360 138 K HA -0.134 4.186 4.320 -0.000 0.000 0.201 138 K C 1.358 177.804 176.600 -0.256 0.000 1.046 138 K CA 0.878 57.054 56.287 -0.186 0.000 0.940 138 K CB -0.087 32.218 32.500 -0.326 0.000 0.748 138 K HN 0.137 nan 8.250 nan 0.000 0.465 139 F N 0.942 120.941 119.950 0.082 0.000 2.727 139 F HA 0.130 4.657 4.527 -0.000 0.000 0.302 139 F C 1.652 177.496 175.800 0.074 0.000 1.097 139 F CA 0.081 58.162 58.000 0.135 0.000 1.330 139 F CB 0.210 39.273 39.000 0.106 0.000 1.084 139 F HN -0.159 nan 8.300 nan 0.000 0.578 140 K N 0.502 120.953 120.400 0.084 0.000 2.044 140 K HA -0.191 4.129 4.320 -0.000 0.000 0.210 140 K C 2.229 178.755 176.600 -0.123 0.000 1.049 140 K CA 1.486 57.743 56.287 -0.050 0.000 0.927 140 K CB -0.395 31.962 32.500 -0.239 0.000 0.713 140 K HN 0.233 nan 8.250 nan 0.000 0.443 141 A N 0.082 122.727 122.820 -0.291 0.000 2.172 141 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 141 A C 0.803 177.945 177.584 -0.735 0.000 1.154 141 A CA 1.018 52.711 52.037 -0.573 0.000 0.701 141 A CB -0.326 18.178 19.000 -0.827 0.000 0.789 141 A HN 0.388 nan 8.150 nan 0.000 0.465 142 Y N -0.895 119.417 120.300 0.020 0.000 2.706 142 Y HA 0.170 4.720 4.550 -0.000 0.000 0.255 142 Y C 1.758 177.732 175.900 0.124 0.000 1.163 142 Y CA -0.199 57.946 58.100 0.074 0.000 1.174 142 Y CB 0.092 38.609 38.460 0.096 0.000 1.200 142 Y HN 0.433 nan 8.280 nan 0.000 0.544 143 R N -0.370 120.231 120.500 0.169 0.000 2.193 143 R HA -0.123 4.217 4.340 -0.000 0.000 0.229 143 R C 0.392 176.767 176.300 0.126 0.000 1.110 143 R CA 1.926 58.119 56.100 0.155 0.000 0.988 143 R CB -0.218 30.148 30.300 0.112 0.000 0.871 143 R HN 0.157 nan 8.270 nan 0.000 0.458 144 D N 0.617 121.083 120.400 0.109 0.000 2.347 144 D HA -0.050 4.590 4.640 -0.000 0.000 0.213 144 D C 0.541 176.903 176.300 0.105 0.000 0.985 144 D CA 0.750 54.804 54.000 0.089 0.000 0.879 144 D CB 0.154 40.991 40.800 0.061 0.000 0.919 144 D HN 0.377 nan 8.370 nan 0.000 0.526 145 D N -0.080 120.412 120.400 0.154 0.000 2.454 145 D HA 0.025 4.665 4.640 -0.000 0.000 0.219 145 D C 0.966 177.374 176.300 0.180 0.000 1.081 145 D CA 0.225 54.325 54.000 0.166 0.000 0.867 145 D CB 1.627 42.560 40.800 0.221 0.000 1.054 145 D HN 0.100 nan 8.370 nan 0.000 0.500 146 V N -0.146 119.887 119.914 0.197 0.000 2.919 146 V HA 0.707 4.827 4.120 -0.000 0.000 0.316 146 V C -0.744 175.400 176.094 0.084 0.000 1.077 146 V CA -0.875 61.542 62.300 0.195 0.000 0.977 146 V CB 2.477 34.450 31.823 0.249 0.000 1.039 146 V HN 0.058 nan 8.190 nan 0.000 0.441 147 E N 3.425 123.650 120.200 0.040 0.000 2.293 147 E HA 0.714 5.064 4.350 -0.000 0.000 0.270 147 E C -1.668 174.898 176.600 -0.057 0.000 0.879 147 E CA -1.025 55.367 56.400 -0.013 0.000 0.756 147 E CB 2.633 32.325 29.700 -0.013 0.000 1.208 147 E HN 0.707 nan 8.360 nan 0.000 0.428 148 L N 2.826 123.999 121.223 -0.084 0.000 2.346 148 L HA 0.480 4.820 4.340 -0.000 0.000 0.276 148 L C -0.446 176.387 176.870 -0.061 0.000 1.006 148 L CA -1.173 53.597 54.840 -0.117 0.000 0.817 148 L CB 1.465 43.408 42.059 -0.194 0.000 1.272 148 L HN 0.489 nan 8.230 nan 0.000 0.421 149 L N 3.183 124.377 121.223 -0.049 0.000 2.289 149 L HA 0.430 4.770 4.340 -0.000 0.000 0.285 149 L C -0.350 176.515 176.870 -0.008 0.000 1.049 149 L CA -0.728 54.097 54.840 -0.025 0.000 0.804 149 L CB 1.811 43.850 42.059 -0.034 0.000 1.195 149 L HN 0.275 nan 8.230 nan 0.000 0.428 150 V N 4.085 124.005 119.914 0.009 0.000 2.364 150 V HA 0.293 4.413 4.120 -0.000 0.000 0.272 150 V C 0.344 176.459 176.094 0.034 0.000 1.036 150 V CA -0.525 61.787 62.300 0.021 0.000 0.880 150 V CB 1.162 32.997 31.823 0.020 0.000 0.991 150 V HN 0.669 nan 8.190 nan 0.000 0.460 151 R N 4.481 124.999 120.500 0.029 0.000 2.234 151 R HA 0.524 4.864 4.340 -0.000 0.000 0.324 151 R C -1.227 175.078 176.300 0.007 0.000 1.054 151 R CA -0.619 55.503 56.100 0.036 0.000 0.912 151 R CB 0.656 30.968 30.300 0.020 0.000 1.030 151 R HN 0.529 nan 8.270 nan 0.000 0.455 152 L N 2.857 124.065 121.223 -0.024 0.000 2.343 152 L HA 0.434 4.774 4.340 -0.000 0.000 0.275 152 L C 0.040 176.627 176.870 -0.471 0.000 1.056 152 L CA 0.059 54.756 54.840 -0.239 0.000 0.804 152 L CB 1.830 43.710 42.059 -0.299 0.000 1.203 152 L HN 0.787 nan 8.230 nan 0.000 0.440 153 S N 0.505 115.863 115.700 -0.569 0.000 2.599 153 S HA 0.849 5.319 4.470 -0.000 0.000 0.294 153 S C -0.731 173.406 174.600 -0.772 0.000 1.094 153 S CA -0.679 57.151 58.200 -0.617 0.000 0.931 153 S CB 1.306 64.393 63.200 -0.187 0.000 1.093 153 S HN 0.223 nan 8.310 nan 0.000 0.488 165 K N 1.376 121.765 120.400 -0.019 0.000 2.167 165 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 165 K C 1.855 178.389 176.600 -0.111 0.000 1.052 165 K CA 1.274 57.529 56.287 -0.054 0.000 0.956 165 K CB -0.157 32.311 32.500 -0.052 0.000 0.735 165 K HN 0.262 nan 8.250 nan 0.000 0.451 166 K N -0.545 119.739 120.400 -0.195 0.000 2.308 166 K HA 0.146 4.466 4.320 -0.000 0.000 0.197 166 K C -0.666 175.618 176.600 -0.526 0.000 1.049 166 K CA 0.053 56.073 56.287 -0.445 0.000 0.991 166 K CB 0.416 32.502 32.500 -0.691 0.000 0.836 166 K HN 0.009 nan 8.250 nan 0.000 0.500 167 F N -0.298 119.650 119.950 -0.003 0.000 2.613 167 F HA 0.572 5.099 4.527 -0.000 0.000 0.314 167 F C -0.054 175.733 175.800 -0.021 0.000 1.075 167 F CA -0.547 57.452 58.000 -0.003 0.000 0.945 167 F CB 2.260 41.257 39.000 -0.005 0.000 1.310 167 F HN 0.107 nan 8.300 nan 0.000 0.467 168 G N 0.553 109.478 108.800 0.209 0.000 3.067 168 G HA2 0.163 4.123 3.960 -0.000 0.000 0.686 168 G HA3 0.163 4.123 3.960 -0.000 0.000 0.686 168 G C -0.758 174.137 174.900 -0.007 0.000 1.119 168 G CA -1.077 44.053 45.100 0.050 0.000 0.790 168 G HN 1.331 nan 8.290 nan 0.000 0.605 169 C N 1.596 120.877 119.300 -0.032 0.000 2.325 169 C HA 0.969 5.429 4.460 -0.000 0.000 0.370 169 C C 1.469 176.405 174.990 -0.089 0.000 1.217 169 C CA 0.017 59.013 59.018 -0.036 0.000 2.254 169 C CB 0.965 28.700 27.740 -0.008 0.000 2.282 169 C HN 2.233 nan 8.230 nan 0.000 0.564 170 S N 0.702 116.367 115.700 -0.058 0.000 2.593 170 S HA 0.309 4.779 4.470 -0.000 0.000 0.269 170 S C -1.772 172.808 174.600 -0.034 0.000 1.334 170 S CA -0.398 57.769 58.200 -0.055 0.000 1.015 170 S CB 0.263 63.449 63.200 -0.022 0.000 0.912 170 S HN 0.705 nan 8.310 nan 0.000 0.541 171 P HA -0.108 nan 4.420 nan 0.000 0.216 171 P C 1.052 178.369 177.300 0.027 0.000 1.153 171 P CA 1.367 64.491 63.100 0.040 0.000 0.858 171 P CB -0.021 31.731 31.700 0.086 0.000 0.789 172 E N -0.837 119.373 120.200 0.016 0.000 2.077 172 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 172 E C 2.202 178.802 176.600 -0.001 0.000 0.989 172 E CA 1.027 57.432 56.400 0.008 0.000 0.800 172 E CB -0.799 28.903 29.700 0.004 0.000 0.746 172 E HN 0.202 nan 8.360 nan 0.000 0.452 173 Q N -0.178 119.620 119.800 -0.005 0.000 2.167 173 Q HA 0.017 4.357 4.340 -0.000 0.000 0.202 173 Q C 2.150 178.144 176.000 -0.010 0.000 0.970 173 Q CA 1.242 57.040 55.803 -0.009 0.000 0.855 173 Q CB -0.294 28.439 28.738 -0.007 0.000 0.911 173 Q HN 0.313 nan 8.270 nan 0.000 0.438 174 A N 0.740 123.558 122.820 -0.003 0.000 1.908 174 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 174 A C 2.216 179.799 177.584 -0.002 0.000 1.181 174 A CA 1.207 53.246 52.037 0.003 0.000 0.627 174 A CB -0.741 18.271 19.000 0.020 0.000 0.818 174 A HN 0.358 nan 8.150 nan 0.000 0.445 175 L N -0.685 120.538 121.223 -0.000 0.000 2.046 175 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 175 L C 2.532 179.383 176.870 -0.032 0.000 1.077 175 L CA 1.094 55.929 54.840 -0.008 0.000 0.747 175 L CB -0.544 41.516 42.059 0.001 0.000 0.896 175 L HN 0.260 nan 8.230 nan 0.000 0.432 176 V N 0.135 120.026 119.914 -0.038 0.000 2.343 176 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 176 V C 2.294 178.327 176.094 -0.101 0.000 1.051 176 V CA 1.758 64.019 62.300 -0.065 0.000 1.036 176 V CB -0.275 31.516 31.823 -0.053 0.000 0.654 176 V HN 0.315 nan 8.190 nan 0.000 0.451 177 I N -0.424 120.100 120.570 -0.076 0.000 2.226 177 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 177 I C 2.243 178.300 176.117 -0.100 0.000 1.100 177 I CA 1.769 63.015 61.300 -0.090 0.000 1.374 177 I CB -0.278 37.701 38.000 -0.035 0.000 1.057 177 I HN 0.227 nan 8.210 nan 0.000 0.413 178 I N 0.477 121.010 120.570 -0.062 0.000 2.315 178 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 178 I C 2.381 178.454 176.117 -0.072 0.000 1.117 178 I CA 1.395 62.666 61.300 -0.048 0.000 1.404 178 I CB -0.349 37.641 38.000 -0.018 0.000 1.071 178 I HN 0.237 nan 8.210 nan 0.000 0.419 179 E N 0.059 120.206 120.200 -0.088 0.000 2.072 179 E HA -0.221 4.129 4.350 -0.000 0.000 0.191 179 E C 2.208 178.703 176.600 -0.175 0.000 0.985 179 E CA 1.886 58.226 56.400 -0.101 0.000 0.801 179 E CB -0.200 29.449 29.700 -0.085 0.000 0.750 179 E HN 0.499 nan 8.360 nan 0.000 0.452 180 T N -0.593 113.791 114.554 -0.284 0.000 2.985 180 T HA 0.105 4.455 4.350 -0.000 0.000 0.266 180 T C 1.981 176.330 174.700 -0.586 0.000 1.076 180 T CA 0.838 62.610 62.100 -0.545 0.000 1.135 180 T CB 0.018 68.412 68.868 -0.789 0.000 0.890 180 T HN 0.136 nan 8.240 nan 0.000 0.480 181 A N 1.819 124.459 122.820 -0.300 0.000 1.908 181 A HA -0.051 4.269 4.320 -0.000 0.000 0.218 181 A C 2.382 179.963 177.584 -0.005 0.000 1.181 181 A CA 2.015 54.005 52.037 -0.078 0.000 0.627 181 A CB -0.819 18.168 19.000 -0.022 0.000 0.818 181 A HN 0.638 nan 8.150 nan 0.000 0.445 182 K N -0.278 120.097 120.400 -0.042 0.000 2.032 182 K HA -0.228 4.092 4.320 -0.000 0.000 0.209 182 K C 2.116 178.730 176.600 0.022 0.000 1.048 182 K CA 1.729 58.015 56.287 -0.002 0.000 0.927 182 K CB -0.245 32.246 32.500 -0.015 0.000 0.712 182 K HN 0.605 nan 8.250 nan 0.000 0.441 183 E N -0.509 119.671 120.200 -0.033 0.000 2.097 183 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 183 E C 1.129 177.864 176.600 0.226 0.000 1.000 183 E CA 1.342 57.758 56.400 0.027 0.000 0.804 183 E CB -0.050 29.590 29.700 -0.101 0.000 0.740 183 E HN 0.472 nan 8.360 nan 0.000 0.454 184 W N 0.783 122.097 121.300 0.024 0.000 3.256 184 W HA 0.151 4.811 4.660 -0.000 0.000 0.269 184 W C 0.697 177.232 176.519 0.027 0.000 1.310 184 W CA 0.022 57.383 57.345 0.026 0.000 1.673 184 W CB -0.907 28.574 29.460 0.036 0.000 1.115 184 W HN 0.138 nan 8.180 nan 0.000 0.686 185 N N 0.766 119.597 118.700 0.220 0.000 2.740 185 N HA -0.228 4.512 4.740 -0.000 0.000 0.248 185 N C -0.707 174.886 175.510 0.139 0.000 1.062 185 N CA 0.677 53.810 53.050 0.139 0.000 0.704 185 N CB -1.569 36.982 38.487 0.107 0.000 0.968 185 N HN 0.124 nan 8.380 nan 0.000 0.547 186 I N 0.667 121.331 120.570 0.158 0.000 2.377 186 I HA 0.247 4.417 4.170 -0.000 0.000 0.293 186 I C 1.096 177.260 176.117 0.077 0.000 0.987 186 I CA -0.846 60.537 61.300 0.138 0.000 1.185 186 I CB 1.520 39.638 38.000 0.197 0.000 1.341 186 I HN 0.056 nan 8.210 nan 0.000 0.455 187 R N 6.613 127.146 120.500 0.055 0.000 2.389 187 R HA 0.342 4.681 4.340 -0.000 0.000 0.295 187 R C -0.931 175.372 176.300 0.005 0.000 1.075 187 R CA -0.350 55.768 56.100 0.029 0.000 1.005 187 R CB 0.568 30.884 30.300 0.027 0.000 0.987 187 R HN 0.466 nan 8.270 nan 0.000 0.452 188 I N 5.778 126.349 120.570 0.003 0.000 2.307 188 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 188 I C 1.156 177.270 176.117 -0.005 0.000 1.021 188 I CA -0.107 61.189 61.300 -0.007 0.000 1.224 188 I CB 1.329 39.328 38.000 -0.002 0.000 1.376 188 I HN 0.846 nan 8.210 nan 0.000 0.470 189 K N 4.520 124.911 120.400 -0.016 0.000 2.057 189 K HA 0.043 4.363 4.320 -0.000 0.000 0.206 189 K C 0.916 177.516 176.600 -0.001 0.000 1.050 189 K CA 1.280 57.557 56.287 -0.017 0.000 0.935 189 K CB 0.411 32.891 32.500 -0.034 0.000 0.715 189 K HN 0.934 nan 8.250 nan 0.000 0.439 190 G N -0.932 107.871 108.800 0.004 0.000 2.399 190 G HA2 0.199 4.159 3.960 -0.000 0.000 0.256 190 G HA3 0.199 4.159 3.960 -0.000 0.000 0.256 190 G C -1.787 173.132 174.900 0.032 0.000 1.236 190 G CA -0.867 44.249 45.100 0.026 0.000 0.914 190 G HN 0.047 nan 8.290 nan 0.000 0.482 191 L N 0.823 122.080 121.223 0.058 0.000 2.333 191 L HA 0.806 5.146 4.340 -0.000 0.000 0.269 191 L C 0.407 177.324 176.870 0.078 0.000 1.010 191 L CA -0.797 54.095 54.840 0.086 0.000 0.818 191 L CB 2.136 44.281 42.059 0.144 0.000 1.306 191 L HN 0.911 nan 8.230 nan 0.000 0.430 192 S N 0.762 116.516 115.700 0.089 0.000 2.627 192 S HA 0.888 5.358 4.470 -0.000 0.000 0.283 192 S C -1.013 173.691 174.600 0.174 0.000 1.127 192 S CA -0.644 57.573 58.200 0.028 0.000 0.863 192 S CB 2.355 65.535 63.200 -0.033 0.000 1.121 192 S HN 0.529 nan 8.310 nan 0.000 0.479 193 F N -1.475 118.552 119.950 0.129 0.000 2.713 193 F HA 0.674 5.201 4.527 -0.000 0.000 0.311 193 F C -1.196 174.716 175.800 0.187 0.000 1.141 193 F CA -0.853 57.240 58.000 0.156 0.000 0.939 193 F CB 1.250 40.445 39.000 0.325 0.000 1.325 193 F HN 0.920 nan 8.300 nan 0.000 0.453 194 H N 2.358 121.620 119.070 0.322 0.000 3.013 194 H HA 0.420 4.976 4.556 -0.000 0.000 0.326 194 H C 0.043 175.487 175.328 0.194 0.000 0.973 194 H CA -0.424 55.733 56.048 0.182 0.000 1.369 194 H CB 2.489 32.295 29.762 0.073 0.000 1.598 194 H HN 0.844 nan 8.280 nan 0.000 0.518 195 V N 2.339 122.135 119.914 -0.196 0.000 3.217 195 V HA 0.359 4.479 4.120 -0.000 0.000 0.264 195 V C 0.814 176.732 176.094 -0.295 0.000 1.135 195 V CA 0.975 63.129 62.300 -0.244 0.000 1.142 195 V CB -0.533 30.999 31.823 -0.485 0.000 0.754 195 V HN 0.925 nan 8.190 nan 0.000 0.484 196 G N -0.643 107.835 108.800 -0.537 0.000 2.465 196 G HA2 0.115 4.074 3.960 -0.000 0.000 0.681 196 G HA3 0.115 4.074 3.960 -0.000 0.000 0.681 196 G C -0.607 174.186 174.900 -0.179 0.000 1.340 196 G CA -0.192 44.772 45.100 -0.227 0.000 0.884 196 G HN 0.676 nan 8.290 nan 0.000 0.650 197 S N -0.169 115.563 115.700 0.053 0.000 2.580 197 S HA 0.472 4.942 4.470 -0.000 0.000 0.274 197 S C 0.907 175.553 174.600 0.076 0.000 1.329 197 S CA 1.358 59.623 58.200 0.107 0.000 1.036 197 S CB 0.943 64.199 63.200 0.094 0.000 0.919 197 S HN 2.138 nan 8.310 nan 0.000 0.515 198 Q N 1.843 121.724 119.800 0.136 0.000 2.452 198 Q HA -0.156 4.184 4.340 -0.000 0.000 0.318 198 Q C -0.568 175.499 176.000 0.111 0.000 1.386 198 Q CA 0.892 56.782 55.803 0.145 0.000 0.872 198 Q CB -2.155 26.671 28.738 0.147 0.000 1.151 198 Q HN 0.670 nan 8.270 nan 0.000 0.417 199 T N 0.533 115.160 114.554 0.120 0.000 2.727 199 T HA 0.270 4.620 4.350 -0.000 0.000 0.295 199 T C 1.394 176.284 174.700 0.316 0.000 0.915 199 T CA 0.237 62.444 62.100 0.178 0.000 1.066 199 T CB 0.756 69.724 68.868 0.166 0.000 0.891 199 T HN 0.481 nan 8.240 nan 0.000 0.516 200 T N -0.068 114.646 114.554 0.266 0.000 3.065 200 T HA 0.088 4.438 4.350 -0.000 0.000 0.252 200 T C 0.721 175.686 174.700 0.441 0.000 1.099 200 T CA -0.255 62.036 62.100 0.319 0.000 1.063 200 T CB 0.063 69.042 68.868 0.184 0.000 0.948 200 T HN 0.365 nan 8.240 nan 0.000 0.506 201 N N 2.376 121.275 118.700 0.331 0.000 2.479 201 N HA 0.328 5.068 4.740 -0.000 0.000 0.261 201 N C -2.134 173.401 175.510 0.041 0.000 0.979 201 N CA -2.613 50.529 53.050 0.153 0.000 0.930 201 N CB 2.300 40.828 38.487 0.069 0.000 1.172 201 N HN -0.056 nan 8.380 nan 0.000 0.499 202 P HA -0.032 nan 4.420 nan 0.000 0.230 202 P C 0.352 177.556 177.300 -0.161 0.000 1.158 202 P CA 0.607 63.342 63.100 -0.608 0.000 0.769 202 P CB 0.494 31.476 31.700 -1.197 0.000 0.807 203 N N 0.886 119.508 118.700 -0.130 0.000 2.364 203 N HA -0.106 4.634 4.740 -0.000 0.000 0.183 203 N C 1.519 176.958 175.510 -0.118 0.000 1.022 203 N CA 0.969 53.955 53.050 -0.106 0.000 0.883 203 N CB -0.180 38.256 38.487 -0.084 0.000 0.965 203 N HN 0.362 nan 8.380 nan 0.000 0.438 204 K N 0.160 120.492 120.400 -0.113 0.000 2.097 204 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 204 K C 1.737 178.138 176.600 -0.330 0.000 1.049 204 K CA 1.034 57.186 56.287 -0.226 0.000 0.933 204 K CB -0.201 32.155 32.500 -0.239 0.000 0.717 204 K HN 0.225 nan 8.250 nan 0.000 0.442 205 Y N 0.614 120.796 120.300 -0.197 0.000 2.181 205 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 205 Y C 2.352 178.081 175.900 -0.284 0.000 1.146 205 Y CA 0.843 58.852 58.100 -0.150 0.000 1.164 205 Y CB -0.570 37.876 38.460 -0.024 0.000 0.982 205 Y HN -0.204 nan 8.280 nan 0.000 0.515 206 V N 0.160 119.991 119.914 -0.139 0.000 2.287 206 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 206 V C 2.216 177.974 176.094 -0.560 0.000 1.053 206 V CA 2.042 64.129 62.300 -0.354 0.000 1.027 206 V CB -0.491 31.165 31.823 -0.277 0.000 0.646 206 V HN 0.404 nan 8.190 nan 0.000 0.447 207 E N 0.274 120.232 120.200 -0.403 0.000 2.077 207 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 207 E C 2.381 178.615 176.600 -0.609 0.000 0.989 207 E CA 1.468 57.645 56.400 -0.372 0.000 0.800 207 E CB -0.501 29.020 29.700 -0.298 0.000 0.746 207 E HN 0.581 nan 8.360 nan 0.000 0.452 208 A N 1.450 123.712 122.820 -0.929 0.000 1.883 208 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 208 A C 2.345 179.422 177.584 -0.845 0.000 1.186 208 A CA 1.395 52.491 52.037 -1.567 0.000 0.624 208 A CB -0.763 16.944 19.000 -2.155 0.000 0.822 208 A HN 0.168 nan 8.150 nan 0.000 0.444 209 I N -1.135 119.154 120.570 -0.469 0.000 2.226 209 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 209 I C 2.410 178.479 176.117 -0.079 0.000 1.100 209 I CA 1.777 63.008 61.300 -0.114 0.000 1.374 209 I CB -0.612 37.357 38.000 -0.052 0.000 1.057 209 I HN 0.477 nan 8.210 nan 0.000 0.413 210 H N -0.322 118.668 119.070 -0.133 0.000 2.319 210 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 210 H C 2.381 177.693 175.328 -0.027 0.000 1.092 210 H CA 1.656 57.645 56.048 -0.099 0.000 1.302 210 H CB -0.132 29.603 29.762 -0.045 0.000 1.373 210 H HN 0.263 nan 8.280 nan 0.000 0.497 211 T N -0.086 114.516 114.554 0.081 0.000 2.708 211 T HA -0.189 4.161 4.350 -0.000 0.000 0.266 211 T C 2.338 177.148 174.700 0.183 0.000 1.037 211 T CA 1.262 63.452 62.100 0.150 0.000 1.146 211 T CB -0.520 68.376 68.868 0.047 0.000 0.865 211 T HN 0.481 nan 8.240 nan 0.000 0.435 212 C N 1.063 120.450 119.300 0.145 0.000 2.413 212 C HA -0.031 4.429 4.460 -0.000 0.000 0.276 212 C C 2.857 177.914 174.990 0.111 0.000 1.248 212 C CA 0.624 59.754 59.018 0.188 0.000 1.742 212 C CB -0.986 26.913 27.740 0.265 0.000 2.017 212 C HN 0.554 nan 8.230 nan 0.000 0.481 213 R N -0.072 120.448 120.500 0.033 0.000 2.105 213 R HA -0.163 4.177 4.340 -0.000 0.000 0.239 213 R C 2.152 178.393 176.300 -0.098 0.000 1.135 213 R CA 1.650 57.711 56.100 -0.066 0.000 0.967 213 R CB -0.431 29.772 30.300 -0.161 0.000 0.861 213 R HN 0.643 nan 8.270 nan 0.000 0.442 214 H N -0.613 118.496 119.070 0.065 0.000 2.395 214 H HA -0.030 4.526 4.556 -0.000 0.000 0.299 214 H C 2.214 177.571 175.328 0.050 0.000 1.070 214 H CA 1.523 57.599 56.048 0.046 0.000 1.356 214 H CB -0.028 29.756 29.762 0.036 0.000 1.401 214 H HN 0.085 nan 8.280 nan 0.000 0.524 215 V N 1.263 121.283 119.914 0.177 0.000 2.343 215 V HA -0.275 3.844 4.120 -0.000 0.000 0.247 215 V C 2.626 178.774 176.094 0.089 0.000 1.051 215 V CA 1.558 63.932 62.300 0.123 0.000 1.036 215 V CB -0.540 31.358 31.823 0.125 0.000 0.654 215 V HN 0.294 nan 8.190 nan 0.000 0.451 216 M N -0.618 119.030 119.600 0.081 0.000 2.108 216 M HA -0.217 4.263 4.480 -0.000 0.000 0.261 216 M C 2.225 178.556 176.300 0.051 0.000 1.066 216 M CA 1.908 57.244 55.300 0.060 0.000 1.107 216 M CB -0.490 32.141 32.600 0.052 0.000 1.356 216 M HN 0.369 nan 8.290 nan 0.000 0.406 217 E N -0.047 120.187 120.200 0.057 0.000 2.051 217 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 217 E C 2.071 178.704 176.600 0.055 0.000 0.991 217 E CA 1.235 57.669 56.400 0.056 0.000 0.799 217 E CB -0.154 29.594 29.700 0.080 0.000 0.748 217 E HN 0.597 nan 8.360 nan 0.000 0.449 218 Q N 0.244 120.082 119.800 0.065 0.000 2.124 218 Q HA -0.139 4.201 4.340 -0.000 0.000 0.202 218 Q C 2.361 178.381 176.000 0.034 0.000 0.977 218 Q CA 1.120 56.952 55.803 0.048 0.000 0.850 218 Q CB 0.018 28.786 28.738 0.050 0.000 0.901 218 Q HN 0.146 nan 8.270 nan 0.000 0.429 219 V N 0.176 120.112 119.914 0.035 0.000 2.255 219 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 219 V C 2.230 178.337 176.094 0.022 0.000 1.051 219 V CA 1.615 63.930 62.300 0.025 0.000 1.018 219 V CB -0.528 31.312 31.823 0.028 0.000 0.641 219 V HN 0.197 nan 8.190 nan 0.000 0.445 220 V N -0.030 119.900 119.914 0.026 0.000 2.392 220 V HA -0.281 3.839 4.120 -0.000 0.000 0.249 220 V C 2.340 178.445 176.094 0.020 0.000 1.059 220 V CA 2.173 64.487 62.300 0.023 0.000 1.051 220 V CB -0.738 31.100 31.823 0.024 0.000 0.658 220 V HN 0.645 nan 8.190 nan 0.000 0.455 221 E N -0.429 119.784 120.200 0.022 0.000 2.274 221 E HA -0.086 4.264 4.350 -0.000 0.000 0.194 221 E C 2.141 178.749 176.600 0.014 0.000 0.996 221 E CA 0.333 56.744 56.400 0.018 0.000 0.840 221 E CB -0.056 29.657 29.700 0.022 0.000 0.772 221 E HN 0.448 nan 8.360 nan 0.000 0.491 222 R N -0.183 120.325 120.500 0.013 0.000 2.310 222 R HA 0.059 4.399 4.340 -0.000 0.000 0.202 222 R C 1.002 177.305 176.300 0.006 0.000 0.933 222 R CA 0.715 56.819 56.100 0.007 0.000 1.054 222 R CB 0.443 30.746 30.300 0.004 0.000 0.985 222 R HN 0.269 nan 8.270 nan 0.000 0.489 223 G N 1.535 110.341 108.800 0.009 0.000 2.147 223 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 223 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 223 G C 0.077 174.982 174.900 0.008 0.000 1.005 223 G CA 0.115 45.220 45.100 0.009 0.000 0.713 223 G HN 0.195 nan 8.290 nan 0.000 0.515 224 L N 0.035 121.263 121.223 0.008 0.000 2.416 224 L HA 0.555 4.895 4.340 -0.000 0.000 0.262 224 L C -1.653 175.224 176.870 0.012 0.000 1.093 224 L CA -2.495 52.349 54.840 0.007 0.000 0.801 224 L CB 0.649 42.709 42.059 0.002 0.000 1.191 224 L HN -0.144 nan 8.230 nan 0.000 0.459 225 P HA 0.063 nan 4.420 nan 0.000 0.265 225 P C -0.818 176.494 177.300 0.019 0.000 1.193 225 P CA -0.177 62.933 63.100 0.016 0.000 0.765 225 P CB 0.545 32.254 31.700 0.016 0.000 0.823 226 A N 3.994 126.827 122.820 0.023 0.000 2.407 226 A HA 0.282 4.602 4.320 -0.000 0.000 0.248 226 A C 0.040 177.642 177.584 0.031 0.000 1.082 226 A CA -0.339 51.715 52.037 0.028 0.000 0.785 226 A CB -0.309 18.709 19.000 0.030 0.000 1.020 226 A HN 0.533 nan 8.150 nan 0.000 0.489 227 L N 2.553 123.798 121.223 0.037 0.000 2.290 227 L HA 0.221 4.561 4.340 -0.000 0.000 0.284 227 L C 1.501 178.403 176.870 0.053 0.000 1.078 227 L CA 0.050 54.915 54.840 0.040 0.000 0.815 227 L CB 1.419 43.504 42.059 0.045 0.000 1.162 227 L HN 0.979 nan 8.230 nan 0.000 0.435 228 S N 0.256 115.986 115.700 0.051 0.000 2.501 228 S HA 0.066 4.536 4.470 -0.000 0.000 0.220 228 S C 0.686 175.355 174.600 0.114 0.000 0.997 228 S CA -0.017 58.231 58.200 0.079 0.000 0.919 228 S CB 0.185 63.401 63.200 0.027 0.000 0.778 228 S HN 0.673 nan 8.310 nan 0.000 0.523 229 T N 2.107 116.707 114.554 0.076 0.000 2.916 229 T HA 0.628 4.978 4.350 -0.000 0.000 0.298 229 T C -1.799 172.942 174.700 0.068 0.000 1.031 229 T CA -0.544 61.603 62.100 0.078 0.000 0.993 229 T CB 1.906 70.791 68.868 0.029 0.000 1.045 229 T HN 0.211 nan 8.240 nan 0.000 0.454 230 L N 3.008 124.274 121.223 0.073 0.000 2.356 230 L HA 0.685 5.024 4.340 -0.000 0.000 0.277 230 L C -1.234 175.645 176.870 0.015 0.000 0.996 230 L CA -0.473 54.407 54.840 0.067 0.000 0.822 230 L CB 1.585 43.706 42.059 0.103 0.000 1.256 230 L HN 0.547 nan 8.230 nan 0.000 0.413 231 D N 4.672 125.042 120.400 -0.050 0.000 2.414 231 D HA 0.238 4.878 4.640 -0.000 0.000 0.232 231 D C 0.826 176.909 176.300 -0.363 0.000 1.070 231 D CA -0.350 53.574 54.000 -0.128 0.000 0.839 231 D CB 0.994 41.722 40.800 -0.119 0.000 1.079 231 D HN 0.636 nan 8.370 nan 0.000 0.521 232 I N 1.167 121.526 120.570 -0.352 0.000 3.735 232 I HA 0.396 4.566 4.170 -0.000 0.000 0.310 232 I C 1.043 176.858 176.117 -0.503 0.000 1.270 232 I CA -0.113 60.739 61.300 -0.747 0.000 1.207 232 I CB -0.362 37.595 38.000 -0.072 0.000 1.013 232 I HN 0.448 nan 8.210 nan 0.000 0.452 233 G N 1.020 109.685 108.800 -0.225 0.000 2.598 233 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.244 233 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.244 233 G C 0.053 175.080 174.900 0.211 0.000 1.302 233 G CA -0.374 44.754 45.100 0.046 0.000 0.903 233 G HN 0.776 nan 8.290 nan 0.000 0.575 234 G N -2.982 106.048 108.800 0.382 0.000 2.890 234 G HA2 0.733 4.693 3.960 -0.000 0.000 0.189 234 G HA3 0.733 4.693 3.960 -0.000 0.000 0.189 234 G C 1.348 176.195 174.900 -0.089 0.000 1.342 234 G CA 1.106 46.366 45.100 0.267 0.000 1.026 234 G HN 2.607 nan 8.290 nan 0.000 0.579 235 G N -2.123 106.706 108.800 0.047 0.000 2.201 235 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.212 235 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.212 235 G C 0.246 175.143 174.900 -0.005 0.000 0.994 235 G CA -0.009 45.080 45.100 -0.017 0.000 0.644 235 G HN 0.599 nan 8.290 nan 0.000 0.508 236 F N 3.138 123.196 119.950 0.181 0.000 2.608 236 F HA 0.409 4.936 4.527 -0.000 0.000 0.380 236 F C -0.775 175.016 175.800 -0.015 0.000 1.083 236 F CA -1.196 56.727 58.000 -0.129 0.000 1.266 236 F CB 0.296 39.105 39.000 -0.318 0.000 1.076 236 F HN -0.019 nan 8.300 nan 0.000 0.574 237 P HA 0.455 nan 4.420 nan 0.000 0.283 237 P C -1.081 176.323 177.300 0.174 0.000 1.271 237 P CA -0.412 62.739 63.100 0.086 0.000 0.841 237 P CB 2.187 33.871 31.700 -0.026 0.000 1.122 238 V N -1.982 118.005 119.914 0.121 0.000 3.141 238 V HA 0.593 4.713 4.120 -0.000 0.000 0.312 238 V C -0.399 175.624 176.094 -0.118 0.000 1.157 238 V CA -1.181 61.089 62.300 -0.050 0.000 1.041 238 V CB 1.612 33.302 31.823 -0.222 0.000 1.071 238 V HN 0.302 nan 8.190 nan 0.000 0.441 239 N N 1.511 120.104 118.700 -0.180 0.000 2.442 239 N HA 0.414 5.154 4.740 -0.000 0.000 0.265 239 N C -0.667 174.675 175.510 -0.280 0.000 1.138 239 N CA 0.123 53.100 53.050 -0.122 0.000 0.956 239 N CB 0.691 39.127 38.487 -0.084 0.000 1.067 239 N HN 0.809 nan 8.380 nan 0.000 0.474 240 Y N 0.460 120.781 120.300 0.036 0.000 2.854 240 Y HA 0.073 4.623 4.550 -0.000 0.000 0.174 240 Y C 2.370 178.290 175.900 0.033 0.000 0.895 240 Y CA 0.181 58.306 58.100 0.040 0.000 1.392 240 Y CB -0.559 37.903 38.460 0.003 0.000 1.071 240 Y HN 0.494 nan 8.280 nan 0.000 0.446 241 T N -1.445 113.236 114.554 0.212 0.000 3.081 241 T HA 0.159 4.509 4.350 -0.000 0.000 0.255 241 T C 0.135 174.882 174.700 0.078 0.000 1.113 241 T CA 0.325 62.492 62.100 0.112 0.000 1.082 241 T CB -0.140 68.774 68.868 0.077 0.000 0.939 241 T HN 0.269 nan 8.240 nan 0.000 0.506 242 Q N 0.755 120.609 119.800 0.090 0.000 2.394 242 Q HA 0.410 4.750 4.340 -0.000 0.000 0.273 242 Q C -0.979 175.062 176.000 0.068 0.000 1.089 242 Q CA -0.829 55.014 55.803 0.066 0.000 0.812 242 Q CB 2.286 31.060 28.738 0.060 0.000 1.353 242 Q HN 0.408 nan 8.270 nan 0.000 0.438 243 Q N 0.976 120.806 119.800 0.051 0.000 2.327 243 Q HA 0.379 4.719 4.340 -0.000 0.000 0.254 243 Q C -0.114 175.923 176.000 0.061 0.000 0.952 243 Q CA -0.407 55.423 55.803 0.045 0.000 0.884 243 Q CB 1.292 30.051 28.738 0.035 0.000 1.224 243 Q HN 0.480 nan 8.270 nan 0.000 0.422 244 V N -0.851 119.101 119.914 0.063 0.000 2.994 244 V HA 0.498 4.618 4.120 -0.000 0.000 0.318 244 V C 0.002 176.151 176.094 0.092 0.000 1.085 244 V CA -1.351 61.000 62.300 0.085 0.000 0.998 244 V CB 1.596 33.467 31.823 0.079 0.000 1.063 244 V HN 0.891 nan 8.190 nan 0.000 0.447 245 M N 3.030 122.712 119.600 0.136 0.000 2.260 245 M HA 0.275 4.755 4.480 -0.000 0.000 0.348 245 M C -2.168 174.216 176.300 0.140 0.000 1.342 245 M CA -0.818 54.577 55.300 0.157 0.000 1.040 245 M CB 0.524 33.277 32.600 0.255 0.000 1.810 245 M HN 0.606 nan 8.290 nan 0.000 0.453 246 P HA -0.073 nan 4.420 nan 0.000 0.266 246 P C 0.408 177.779 177.300 0.118 0.000 1.193 246 P CA -0.034 63.125 63.100 0.099 0.000 0.770 246 P CB 0.371 32.113 31.700 0.069 0.000 0.836 247 I N 2.439 123.068 120.570 0.098 0.000 2.264 247 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 247 I C 1.340 177.471 176.117 0.022 0.000 1.111 247 I CA 1.791 63.101 61.300 0.016 0.000 1.382 247 I CB -0.600 37.332 38.000 -0.113 0.000 1.060 247 I HN 0.275 nan 8.210 nan 0.000 0.418 248 D N -0.118 120.292 120.400 0.018 0.000 2.104 248 D HA -0.216 4.423 4.640 -0.000 0.000 0.194 248 D C 2.215 178.528 176.300 0.022 0.000 0.994 248 D CA 1.308 55.308 54.000 -0.001 0.000 0.830 248 D CB -0.221 40.578 40.800 -0.003 0.000 0.959 248 D HN 0.390 nan 8.370 nan 0.000 0.452 249 Q N -0.593 119.240 119.800 0.055 0.000 2.083 249 Q HA -0.023 4.317 4.340 -0.000 0.000 0.198 249 Q C 1.924 177.966 176.000 0.071 0.000 0.969 249 Q CA 0.530 56.365 55.803 0.053 0.000 0.838 249 Q CB -0.397 28.378 28.738 0.062 0.000 0.900 249 Q HN 0.289 nan 8.270 nan 0.000 0.436 250 F N -0.227 119.710 119.950 -0.023 0.000 2.095 250 F HA -0.290 4.237 4.527 -0.000 0.000 0.298 250 F C 1.649 177.415 175.800 -0.057 0.000 1.104 250 F CA 1.388 59.376 58.000 -0.021 0.000 1.232 250 F CB -0.156 38.839 39.000 -0.007 0.000 0.987 250 F HN 0.074 nan 8.300 nan 0.000 0.475 251 C N 0.171 119.523 119.300 0.087 0.000 2.539 251 C HA 0.232 4.691 4.460 -0.000 0.000 0.268 251 C C 2.981 177.921 174.990 -0.084 0.000 1.395 251 C CA 0.351 59.347 59.018 -0.036 0.000 1.757 251 C CB -1.844 25.865 27.740 -0.051 0.000 1.851 251 C HN 0.626 nan 8.230 nan 0.000 0.545 252 A N 2.808 125.589 122.820 -0.066 0.000 1.873 252 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 252 A C 0.434 177.974 177.584 -0.073 0.000 1.193 252 A CA 2.209 54.211 52.037 -0.059 0.000 0.629 252 A CB -1.813 17.163 19.000 -0.040 0.000 0.826 252 A HN 0.494 nan 8.150 nan 0.000 0.447 253 P HA -0.090 nan 4.420 nan 0.000 0.221 253 P C 1.488 178.727 177.300 -0.102 0.000 1.150 253 P CA 0.930 63.971 63.100 -0.098 0.000 0.800 253 P CB -0.211 31.412 31.700 -0.127 0.000 0.787 254 I N 0.008 120.502 120.570 -0.127 0.000 2.179 254 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 254 I C 2.223 178.309 176.117 -0.053 0.000 1.088 254 I CA 1.311 62.556 61.300 -0.093 0.000 1.357 254 I CB -0.858 37.074 38.000 -0.113 0.000 1.051 254 I HN -0.067 nan 8.210 nan 0.000 0.409 255 N N 0.760 119.427 118.700 -0.055 0.000 2.120 255 N HA -0.230 4.510 4.740 -0.000 0.000 0.188 255 N C 1.823 177.317 175.510 -0.026 0.000 1.024 255 N CA 1.335 54.361 53.050 -0.039 0.000 0.852 255 N CB -0.384 38.076 38.487 -0.046 0.000 1.003 255 N HN 0.331 nan 8.380 nan 0.000 0.424 256 E N 1.218 121.401 120.200 -0.028 0.000 2.085 256 E HA -0.065 4.285 4.350 -0.000 0.000 0.194 256 E C 1.768 178.376 176.600 0.013 0.000 0.994 256 E CA 1.482 57.876 56.400 -0.009 0.000 0.801 256 E CB -0.397 29.298 29.700 -0.009 0.000 0.743 256 E HN 0.325 nan 8.360 nan 0.000 0.453 257 A N 0.215 123.032 122.820 -0.004 0.000 1.930 257 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 257 A C 2.312 179.908 177.584 0.021 0.000 1.175 257 A CA 1.286 53.325 52.037 0.004 0.000 0.627 257 A CB -0.643 18.242 19.000 -0.192 0.000 0.815 257 A HN 0.337 nan 8.150 nan 0.000 0.443 258 L N 0.522 121.749 121.223 0.007 0.000 2.201 258 L HA -0.145 4.194 4.340 -0.000 0.000 0.212 258 L C 2.849 179.725 176.870 0.011 0.000 1.105 258 L CA 1.376 56.228 54.840 0.019 0.000 0.775 258 L CB -0.433 41.635 42.059 0.016 0.000 0.913 258 L HN 0.608 nan 8.230 nan 0.000 0.440 259 S N -0.012 115.691 115.700 0.006 0.000 2.474 259 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 259 S C 1.739 176.340 174.600 0.002 0.000 0.997 259 S CA 0.635 58.834 58.200 -0.002 0.000 0.949 259 S CB -0.397 62.800 63.200 -0.005 0.000 0.766 259 S HN 0.455 nan 8.310 nan 0.000 0.517 260 L N 0.539 121.772 121.223 0.016 0.000 2.492 260 L HA 0.324 4.664 4.340 -0.000 0.000 0.223 260 L C 0.675 177.542 176.870 -0.005 0.000 1.132 260 L CA -0.097 54.747 54.840 0.007 0.000 0.850 260 L CB -0.479 41.592 42.059 0.020 0.000 0.966 260 L HN 0.253 nan 8.230 nan 0.000 0.454 261 L N 0.595 121.820 121.223 0.003 0.000 2.467 261 L HA 0.144 4.484 4.340 -0.000 0.000 0.270 261 L C -1.761 175.105 176.870 -0.007 0.000 1.205 261 L CA -1.817 53.022 54.840 -0.001 0.000 0.828 261 L CB -0.333 41.733 42.059 0.012 0.000 1.101 261 L HN -0.165 nan 8.230 nan 0.000 0.479 262 P HA -0.020 nan 4.420 nan 0.000 0.265 262 P C 0.079 177.369 177.300 -0.018 0.000 1.187 262 P CA 0.060 63.156 63.100 -0.006 0.000 0.766 262 P CB 0.427 32.130 31.700 0.005 0.000 0.820 263 E N 0.568 120.753 120.200 -0.025 0.000 2.333 263 E HA -0.139 4.211 4.350 -0.000 0.000 0.198 263 E C 1.386 177.940 176.600 -0.076 0.000 1.007 263 E CA 1.543 57.915 56.400 -0.047 0.000 0.845 263 E CB -0.323 29.354 29.700 -0.038 0.000 0.766 263 E HN 0.638 nan 8.360 nan 0.000 0.507 264 T N -1.628 112.902 114.554 -0.040 0.000 3.055 264 T HA 0.027 4.377 4.350 -0.000 0.000 0.265 264 T C 0.996 175.696 174.700 0.001 0.000 1.111 264 T CA -0.067 62.022 62.100 -0.019 0.000 1.118 264 T CB -0.050 68.839 68.868 0.035 0.000 0.909 264 T HN -0.179 nan 8.240 nan 0.000 0.501 265 V N 3.083 122.993 119.914 -0.007 0.000 2.508 265 V HA 0.179 4.299 4.120 -0.000 0.000 0.281 265 V C 0.285 176.363 176.094 -0.026 0.000 1.041 265 V CA -0.640 61.691 62.300 0.053 0.000 1.016 265 V CB 0.168 32.019 31.823 0.047 0.000 0.984 265 V HN 0.559 nan 8.190 nan 0.000 0.478 266 H N 3.367 122.450 119.070 0.021 0.000 2.473 266 H HA 0.488 5.044 4.556 -0.000 0.000 0.327 266 H C -0.669 174.674 175.328 0.026 0.000 1.105 266 H CA -0.601 55.460 56.048 0.022 0.000 1.280 266 H CB 2.005 31.782 29.762 0.024 0.000 1.450 266 H HN 0.392 nan 8.280 nan 0.000 0.492 267 V N 5.485 125.466 119.914 0.111 0.000 2.459 267 V HA 0.315 4.435 4.120 -0.000 0.000 0.295 267 V C 0.181 176.327 176.094 0.086 0.000 1.029 267 V CA -0.658 61.688 62.300 0.077 0.000 0.874 267 V CB 1.693 33.544 31.823 0.047 0.000 0.985 267 V HN 0.492 nan 8.190 nan 0.000 0.438 268 L N 3.425 124.691 121.223 0.072 0.000 2.323 268 L HA 1.010 5.350 4.340 -0.000 0.000 0.265 268 L C 0.026 176.945 176.870 0.082 0.000 1.012 268 L CA -0.688 54.211 54.840 0.100 0.000 0.820 268 L CB 2.036 44.126 42.059 0.051 0.000 1.334 268 L HN 0.741 nan 8.230 nan 0.000 0.427 269 A N 0.647 123.552 122.820 0.141 0.000 2.532 269 A HA 0.729 5.049 4.320 -0.000 0.000 0.290 269 A C -0.881 176.830 177.584 0.211 0.000 1.143 269 A CA -0.474 51.670 52.037 0.178 0.000 0.728 269 A CB 1.743 20.892 19.000 0.250 0.000 1.317 269 A HN 0.794 nan 8.150 nan 0.000 0.414 270 E N 1.193 121.540 120.200 0.245 0.000 3.846 270 E HA 0.219 4.569 4.350 -0.000 0.000 0.216 270 E C -2.654 174.114 176.600 0.280 0.000 1.092 270 E CA -1.561 54.962 56.400 0.205 0.000 1.370 270 E CB 0.885 30.643 29.700 0.097 0.000 1.227 270 E HN 0.467 nan 8.360 nan 0.000 0.442 271 P HA 0.006 nan 4.420 nan 0.000 0.268 271 P C 0.221 177.727 177.300 0.343 0.000 1.204 271 P CA 0.382 63.756 63.100 0.457 0.000 0.768 271 P CB 2.011 33.928 31.700 0.362 0.000 0.842 272 G N 3.295 112.295 108.800 0.333 0.000 2.472 272 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.199 272 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.199 272 G C 1.417 176.507 174.900 0.317 0.000 1.547 272 G CA -0.061 45.160 45.100 0.202 0.000 0.701 272 G HN 0.433 nan 8.290 nan 0.000 0.623 273 R N -0.573 120.113 120.500 0.310 0.000 2.103 273 R HA -0.130 4.210 4.340 -0.000 0.000 0.242 273 R C 2.246 178.703 176.300 0.262 0.000 1.142 273 R CA 1.849 58.122 56.100 0.288 0.000 0.960 273 R CB -0.515 30.044 30.300 0.431 0.000 0.858 273 R HN 0.295 nan 8.270 nan 0.000 0.439 274 F N 0.928 121.000 119.950 0.204 0.000 2.161 274 F HA -0.161 4.366 4.527 -0.000 0.000 0.300 274 F C 1.863 177.704 175.800 0.069 0.000 1.089 274 F CA 1.551 59.621 58.000 0.117 0.000 1.282 274 F CB -0.019 39.050 39.000 0.115 0.000 1.010 274 F HN 0.004 nan 8.300 nan 0.000 0.485 275 I N -0.614 120.091 120.570 0.225 0.000 2.333 275 I HA -0.255 3.915 4.170 -0.000 0.000 0.246 275 I C 2.518 178.611 176.117 -0.040 0.000 1.106 275 I CA 1.214 62.567 61.300 0.088 0.000 1.411 275 I CB -0.570 37.533 38.000 0.171 0.000 1.082 275 I HN 0.385 nan 8.210 nan 0.000 0.420 276 C N -0.211 119.118 119.300 0.048 0.000 2.527 276 C HA 0.401 4.861 4.460 -0.000 0.000 0.280 276 C C 2.991 177.948 174.990 -0.055 0.000 1.353 276 C CA -0.101 58.909 59.018 -0.013 0.000 1.749 276 C CB -0.834 26.956 27.740 0.082 0.000 2.088 276 C HN 0.392 nan 8.230 nan 0.000 0.508 277 A N 2.904 125.703 122.820 -0.035 0.000 1.892 277 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 277 A C 0.179 177.695 177.584 -0.114 0.000 1.188 277 A CA 2.274 54.290 52.037 -0.035 0.000 0.631 277 A CB -1.886 17.131 19.000 0.029 0.000 0.822 277 A HN 0.564 nan 8.150 nan 0.000 0.447 278 P HA 0.100 nan 4.420 nan 0.000 0.237 278 P C 1.030 178.239 177.300 -0.152 0.000 1.178 278 P CA 1.162 64.147 63.100 -0.191 0.000 0.766 278 P CB 0.066 31.614 31.700 -0.253 0.000 0.876 279 A N -1.045 121.689 122.820 -0.144 0.000 2.208 279 A HA 0.153 4.473 4.320 -0.000 0.000 0.209 279 A C 0.753 178.259 177.584 -0.130 0.000 1.161 279 A CA 0.604 52.559 52.037 -0.137 0.000 0.782 279 A CB -0.242 18.670 19.000 -0.147 0.000 0.816 279 A HN 0.054 nan 8.150 nan 0.000 0.477 280 V N 0.321 120.161 119.914 -0.123 0.000 2.540 280 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 280 V C -0.446 175.580 176.094 -0.114 0.000 1.035 280 V CA -0.429 61.794 62.300 -0.127 0.000 0.873 280 V CB 1.876 33.616 31.823 -0.139 0.000 0.992 280 V HN 0.207 nan 8.190 nan 0.000 0.428 281 T N 3.042 117.533 114.554 -0.104 0.000 2.807 281 T HA 0.469 4.819 4.350 -0.000 0.000 0.279 281 T C 0.007 174.650 174.700 -0.094 0.000 0.993 281 T CA -0.483 61.567 62.100 -0.084 0.000 0.970 281 T CB 1.455 70.290 68.868 -0.055 0.000 0.950 281 T HN 0.844 nan 8.240 nan 0.000 0.441 282 S N 1.899 117.536 115.700 -0.104 0.000 2.585 282 S HA 0.752 5.222 4.470 -0.000 0.000 0.277 282 S C -0.431 174.159 174.600 -0.016 0.000 1.241 282 S CA -0.695 57.442 58.200 -0.105 0.000 1.041 282 S CB 1.002 64.066 63.200 -0.225 0.000 0.987 282 S HN 0.458 nan 8.310 nan 0.000 0.512 283 V N 1.527 121.442 119.914 0.002 0.000 2.569 283 V HA 0.803 4.923 4.120 -0.000 0.000 0.301 283 V C 0.059 176.188 176.094 0.058 0.000 1.044 283 V CA -0.465 61.854 62.300 0.032 0.000 0.874 283 V CB 1.047 32.881 31.823 0.020 0.000 1.002 283 V HN 1.279 nan 8.190 nan 0.000 0.424 284 A N 3.531 126.397 122.820 0.078 0.000 2.423 284 A HA 1.019 5.339 4.320 -0.000 0.000 0.304 284 A C -0.148 177.467 177.584 0.051 0.000 1.104 284 A CA -0.335 51.752 52.037 0.084 0.000 0.757 284 A CB 2.121 21.197 19.000 0.127 0.000 1.313 284 A HN 1.148 nan 8.150 nan 0.000 0.423 285 S N -0.311 115.421 115.700 0.052 0.000 2.600 285 S HA 0.664 5.134 4.470 -0.000 0.000 0.300 285 S C -0.705 173.925 174.600 0.050 0.000 1.087 285 S CA -0.650 57.573 58.200 0.038 0.000 0.965 285 S CB 1.307 64.534 63.200 0.046 0.000 1.089 285 S HN 0.938 nan 8.310 nan 0.000 0.496 286 V N 3.822 123.760 119.914 0.041 0.000 2.427 286 V HA 0.143 4.263 4.120 -0.000 0.000 0.268 286 V C 1.139 177.308 176.094 0.126 0.000 1.046 286 V CA -0.071 62.282 62.300 0.089 0.000 0.970 286 V CB 0.106 31.966 31.823 0.062 0.000 1.001 286 V HN 0.980 nan 8.190 nan 0.000 0.476 287 M N 3.290 122.986 119.600 0.160 0.000 2.288 287 M HA 0.242 4.722 4.480 -0.000 0.000 0.266 287 M C 1.022 177.422 176.300 0.167 0.000 1.072 287 M CA 1.246 56.637 55.300 0.152 0.000 1.132 287 M CB 0.162 32.853 32.600 0.151 0.000 1.386 287 M HN 0.799 nan 8.290 nan 0.000 0.432 288 G N 0.073 109.023 108.800 0.250 0.000 2.489 288 G HA2 0.544 4.504 3.960 -0.000 0.000 0.305 288 G HA3 0.544 4.504 3.960 -0.000 0.000 0.305 288 G C -2.043 173.113 174.900 0.425 0.000 1.311 288 G CA -0.720 44.532 45.100 0.254 0.000 0.813 288 G HN 0.321 nan 8.290 nan 0.000 0.480 289 Q N -1.842 118.176 119.800 0.364 0.000 2.594 289 Q HA 0.703 5.043 4.340 -0.000 0.000 0.278 289 Q C -1.342 174.795 176.000 0.228 0.000 0.961 289 Q CA -0.876 55.116 55.803 0.315 0.000 0.844 289 Q CB 1.665 30.507 28.738 0.172 0.000 1.475 289 Q HN 2.139 nan 8.270 nan 0.000 0.389 290 A N 1.056 123.990 122.820 0.189 0.000 2.589 290 A HA 0.529 4.849 4.320 -0.000 0.000 0.296 290 A C -1.457 176.159 177.584 0.053 0.000 1.062 290 A CA -0.677 51.425 52.037 0.109 0.000 0.686 290 A CB 2.102 21.176 19.000 0.124 0.000 1.282 290 A HN 0.645 nan 8.150 nan 0.000 0.404 291 E N 1.636 121.849 120.200 0.022 0.000 2.290 291 E HA 0.309 4.659 4.350 -0.000 0.000 0.277 291 E C -0.716 175.890 176.600 0.011 0.000 1.035 291 E CA 0.083 56.501 56.400 0.030 0.000 0.873 291 E CB 0.379 30.089 29.700 0.016 0.000 1.029 291 E HN 0.524 nan 8.360 nan 0.000 0.419 292 R N 3.688 124.219 120.500 0.052 0.000 2.483 292 R HA 0.105 4.445 4.340 -0.000 0.000 0.303 292 R C -0.465 175.884 176.300 0.083 0.000 0.987 292 R CA -0.548 55.534 56.100 -0.030 0.000 0.881 292 R CB 1.175 31.280 30.300 -0.325 0.000 1.177 292 R HN 0.618 nan 8.270 nan 0.000 0.451 293 E N 1.664 121.887 120.200 0.039 0.000 2.023 293 E HA -0.314 4.036 4.350 -0.000 0.000 0.164 293 E C 0.362 177.003 176.600 0.068 0.000 1.456 293 E CA 0.825 57.255 56.400 0.051 0.000 0.617 293 E CB -1.499 28.229 29.700 0.047 0.000 1.042 293 E HN 1.087 nan 8.360 nan 0.000 0.301 294 G N 0.890 109.722 108.800 0.054 0.000 2.159 294 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.256 294 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.256 294 G C 0.014 174.941 174.900 0.044 0.000 0.977 294 G CA 0.628 45.753 45.100 0.042 0.000 0.652 294 G HN 0.559 nan 8.290 nan 0.000 0.531 295 Q N -0.675 119.172 119.800 0.079 0.000 2.372 295 Q HA 0.611 4.951 4.340 -0.000 0.000 0.273 295 Q C -0.112 175.937 176.000 0.080 0.000 1.078 295 Q CA -0.956 54.879 55.803 0.053 0.000 0.806 295 Q CB 2.142 30.903 28.738 0.038 0.000 1.332 295 Q HN 0.332 nan 8.270 nan 0.000 0.435 296 I N 1.798 122.339 120.570 -0.049 0.000 2.379 296 I HA 0.131 4.301 4.170 -0.000 0.000 0.290 296 I C -0.698 175.230 176.117 -0.315 0.000 1.063 296 I CA -0.203 60.989 61.300 -0.181 0.000 1.351 296 I CB 0.312 38.108 38.000 -0.340 0.000 1.410 296 I HN 0.422 nan 8.210 nan 0.000 0.505 297 W N 6.727 127.755 121.300 -0.453 0.000 2.335 297 W HA 0.321 4.981 4.660 -0.000 0.000 0.306 297 W C -0.436 175.638 176.519 -0.742 0.000 1.216 297 W CA -0.092 56.927 57.345 -0.543 0.000 1.237 297 W CB 0.237 29.405 29.460 -0.487 0.000 1.243 297 W HN 0.268 nan 8.180 nan 0.000 0.493 298 Y N 2.835 122.990 120.300 -0.241 0.000 2.330 298 Y HA 0.329 4.879 4.550 -0.000 0.000 0.336 298 Y C -0.570 175.139 175.900 -0.318 0.000 1.036 298 Y CA -1.280 56.709 58.100 -0.185 0.000 1.125 298 Y CB 0.737 39.139 38.460 -0.098 0.000 1.194 298 Y HN 0.231 nan 8.280 nan 0.000 0.469 299 Y N 3.744 124.185 120.300 0.235 0.000 2.417 299 Y HA 0.437 4.987 4.550 -0.000 0.000 0.336 299 Y C -0.157 175.801 175.900 0.097 0.000 0.961 299 Y CA -0.690 57.501 58.100 0.151 0.000 1.215 299 Y CB 0.464 39.002 38.460 0.131 0.000 1.120 299 Y HN 0.383 nan 8.280 nan 0.000 0.499 300 L N 2.732 124.038 121.223 0.138 0.000 2.454 300 L HA 0.273 4.613 4.340 -0.000 0.000 0.256 300 L C 0.671 177.563 176.870 0.038 0.000 1.136 300 L CA -0.711 54.175 54.840 0.078 0.000 0.804 300 L CB 0.847 42.922 42.059 0.027 0.000 1.181 300 L HN 0.579 nan 8.230 nan 0.000 0.469 301 D N -2.034 118.390 120.400 0.039 0.000 2.319 301 D HA 0.085 4.725 4.640 -0.000 0.000 0.230 301 D C -0.282 176.026 176.300 0.013 0.000 1.094 301 D CA 0.027 54.029 54.000 0.003 0.000 0.856 301 D CB 0.043 40.887 40.800 0.074 0.000 0.915 301 D HN 0.293 nan 8.370 nan 0.000 0.517 302 D N -1.455 118.981 120.400 0.060 0.000 2.661 302 D HA 0.665 5.305 4.640 -0.000 0.000 0.228 302 D C -0.184 176.241 176.300 0.208 0.000 1.210 302 D CA -0.554 53.538 54.000 0.153 0.000 0.826 302 D CB 2.115 43.052 40.800 0.228 0.000 1.542 302 D HN 0.115 nan 8.370 nan 0.000 0.447 303 G N 0.759 109.740 108.800 0.301 0.000 2.500 303 G HA2 0.125 4.085 3.960 -0.000 0.000 0.299 303 G HA3 0.125 4.085 3.960 -0.000 0.000 0.299 303 G C 0.234 175.324 174.900 0.316 0.000 1.242 303 G CA -0.436 44.821 45.100 0.261 0.000 0.859 303 G HN 0.482 nan 8.290 nan 0.000 0.481 304 I N -0.310 120.370 120.570 0.182 0.000 2.830 304 I HA 0.049 4.219 4.170 -0.000 0.000 0.263 304 I C 1.432 177.533 176.117 -0.027 0.000 1.230 304 I CA 0.838 62.172 61.300 0.058 0.000 1.480 304 I CB 0.111 38.038 38.000 -0.122 0.000 1.095 304 I HN 0.460 nan 8.210 nan 0.000 0.455 305 Y N -0.213 120.212 120.300 0.208 0.000 2.466 305 Y HA 0.222 4.772 4.550 -0.000 0.000 0.272 305 Y C 1.452 177.494 175.900 0.238 0.000 1.169 305 Y CA 0.255 58.500 58.100 0.241 0.000 1.285 305 Y CB 0.150 38.811 38.460 0.335 0.000 1.078 305 Y HN 0.083 nan 8.280 nan 0.000 0.523 306 G N -1.576 107.417 108.800 0.322 0.000 3.387 306 G HA2 0.071 4.031 3.960 -0.000 0.000 0.194 306 G HA3 0.071 4.031 3.960 -0.000 0.000 0.194 306 G C 1.062 176.049 174.900 0.146 0.000 1.417 306 G CA 0.124 45.365 45.100 0.235 0.000 0.777 306 G HN -0.001 nan 8.290 nan 0.000 0.721 307 S N 0.295 116.021 115.700 0.043 0.000 2.447 307 S HA 0.017 4.487 4.470 -0.000 0.000 0.233 307 S C 1.462 175.868 174.600 -0.322 0.000 1.006 307 S CA 0.954 59.041 58.200 -0.189 0.000 0.957 307 S CB -0.277 62.689 63.200 -0.390 0.000 0.773 307 S HN 0.312 nan 8.310 nan 0.000 0.507 308 F N 2.038 122.013 119.950 0.041 0.000 2.692 308 F HA 0.141 4.668 4.527 -0.000 0.000 0.303 308 F C 2.173 178.049 175.800 0.127 0.000 1.114 308 F CA -0.131 57.917 58.000 0.080 0.000 1.361 308 F CB -0.565 38.480 39.000 0.074 0.000 1.063 308 F HN 0.164 nan 8.300 nan 0.000 0.550 309 S N -0.502 115.340 115.700 0.236 0.000 2.420 309 S HA -0.184 4.286 4.470 -0.000 0.000 0.237 309 S C 2.421 177.199 174.600 0.297 0.000 1.023 309 S CA 1.190 59.535 58.200 0.242 0.000 0.991 309 S CB -1.106 62.294 63.200 0.333 0.000 0.792 309 S HN 0.420 nan 8.310 nan 0.000 0.488 310 G N 1.882 110.879 108.800 0.329 0.000 2.448 310 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.219 310 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.219 310 G C 1.347 176.376 174.900 0.215 0.000 1.127 310 G CA 0.796 46.102 45.100 0.343 0.000 0.766 310 G HN 0.548 nan 8.290 nan 0.000 0.552 311 L N -0.322 121.038 121.223 0.230 0.000 2.127 311 L HA -0.117 4.223 4.340 -0.000 0.000 0.211 311 L C 2.964 179.810 176.870 -0.040 0.000 1.089 311 L CA 0.821 55.706 54.840 0.075 0.000 0.757 311 L CB -0.360 41.761 42.059 0.104 0.000 0.899 311 L HN 0.201 nan 8.230 nan 0.000 0.434 312 M N -1.529 118.014 119.600 -0.095 0.000 2.257 312 M HA -0.003 4.477 4.480 -0.000 0.000 0.260 312 M C 2.185 178.327 176.300 -0.263 0.000 1.102 312 M CA 1.582 56.711 55.300 -0.284 0.000 1.169 312 M CB -0.945 31.318 32.600 -0.561 0.000 1.323 312 M HN 0.055 nan 8.290 nan 0.000 0.447 313 F N 0.343 120.289 119.950 -0.006 0.000 2.512 313 F HA -0.048 4.479 4.527 -0.000 0.000 0.296 313 F C 1.646 177.421 175.800 -0.041 0.000 1.110 313 F CA 0.894 58.885 58.000 -0.014 0.000 1.446 313 F CB -0.303 38.707 39.000 0.016 0.000 1.092 313 F HN 0.210 nan 8.300 nan 0.000 0.554 314 D N -0.874 119.607 120.400 0.136 0.000 2.479 314 D HA 0.020 4.660 4.640 -0.000 0.000 0.218 314 D C -0.024 176.238 176.300 -0.062 0.000 1.177 314 D CA 0.157 54.169 54.000 0.019 0.000 0.830 314 D CB -0.179 40.666 40.800 0.074 0.000 1.014 314 D HN 0.026 nan 8.370 nan 0.000 0.503 315 D N -0.400 119.962 120.400 -0.063 0.000 2.737 315 D HA -0.231 4.409 4.640 -0.000 0.000 0.233 315 D C -0.454 175.737 176.300 -0.183 0.000 1.155 315 D CA 0.902 54.838 54.000 -0.106 0.000 0.667 315 D CB -1.131 39.615 40.800 -0.090 0.000 1.060 315 D HN 0.320 nan 8.370 nan 0.000 0.427 316 A N 0.679 123.362 122.820 -0.229 0.000 2.271 316 A HA 0.768 5.088 4.320 -0.000 0.000 0.288 316 A C 0.355 177.621 177.584 -0.530 0.000 1.094 316 A CA -0.274 51.466 52.037 -0.495 0.000 0.828 316 A CB 1.011 19.633 19.000 -0.629 0.000 1.091 316 A HN 0.353 nan 8.150 nan 0.000 0.493 317 R N 0.582 120.648 120.500 -0.723 0.000 2.510 317 R HA 0.464 4.804 4.340 -0.000 0.000 0.287 317 R C -2.201 173.833 176.300 -0.445 0.000 1.084 317 R CA -0.334 55.492 56.100 -0.457 0.000 0.934 317 R CB 1.027 31.202 30.300 -0.209 0.000 1.201 317 R HN 0.741 nan 8.270 nan 0.000 0.431 318 Y N 3.447 123.835 120.300 0.146 0.000 2.420 318 Y HA 0.443 4.993 4.550 -0.000 0.000 0.334 318 Y C -1.838 174.168 175.900 0.176 0.000 1.094 318 Y CA -2.771 55.476 58.100 0.245 0.000 1.126 318 Y CB 1.074 39.709 38.460 0.292 0.000 1.217 318 Y HN 0.474 nan 8.280 nan 0.000 0.462 319 P HA 0.160 nan 4.420 nan 0.000 0.268 319 P C -0.987 176.423 177.300 0.184 0.000 1.204 319 P CA 0.236 63.447 63.100 0.185 0.000 0.768 319 P CB 0.508 32.289 31.700 0.134 0.000 0.842 320 L N 2.238 123.533 121.223 0.121 0.000 2.386 320 L HA 0.704 5.044 4.340 -0.000 0.000 0.271 320 L C 0.468 177.365 176.870 0.045 0.000 0.993 320 L CA -0.306 54.590 54.840 0.094 0.000 0.819 320 L CB 2.475 44.569 42.059 0.059 0.000 1.294 320 L HN 0.340 nan 8.230 nan 0.000 0.414 321 T N 0.103 114.676 114.554 0.032 0.000 2.754 321 T HA 0.724 5.074 4.350 -0.000 0.000 0.296 321 T C -0.904 173.790 174.700 -0.011 0.000 1.205 321 T CA -0.206 61.899 62.100 0.008 0.000 1.009 321 T CB 2.008 70.885 68.868 0.014 0.000 1.368 321 T HN 0.765 nan 8.240 nan 0.000 0.509 322 T N 0.028 114.569 114.554 -0.022 0.000 2.907 322 T HA 0.556 4.906 4.350 -0.000 0.000 0.290 322 T C 1.330 176.017 174.700 -0.022 0.000 1.066 322 T CA -0.928 61.150 62.100 -0.037 0.000 1.012 322 T CB 0.901 69.729 68.868 -0.066 0.000 1.184 322 T HN 0.349 nan 8.240 nan 0.000 0.522 323 I N 0.280 120.835 120.570 -0.024 0.000 2.142 323 I HA -0.046 4.124 4.170 -0.000 0.000 0.240 323 I C 1.613 177.724 176.117 -0.009 0.000 1.078 323 I CA 1.209 62.501 61.300 -0.012 0.000 1.343 323 I CB -1.257 36.736 38.000 -0.012 0.000 1.046 323 I HN 0.708 nan 8.210 nan 0.000 0.405 328 E N 0.067 120.275 120.200 0.013 0.000 2.298 328 E HA -0.181 4.168 4.350 -0.000 0.000 0.235 328 E C 0.072 176.684 176.600 0.021 0.000 1.167 328 E CA 0.251 56.661 56.400 0.017 0.000 0.708 328 E CB -1.817 27.895 29.700 0.020 0.000 1.236 328 E HN 0.677 nan 8.360 nan 0.000 0.386 329 L N 1.981 123.214 121.223 0.017 0.000 2.410 329 L HA 0.331 4.671 4.340 -0.000 0.000 0.273 329 L C 1.165 178.048 176.870 0.022 0.000 1.144 329 L CA 0.119 54.970 54.840 0.018 0.000 0.863 329 L CB 0.141 42.207 42.059 0.011 0.000 1.140 329 L HN 0.451 nan 8.230 nan 0.000 0.463 330 I N 2.913 123.503 120.570 0.033 0.000 2.646 330 I HA 0.564 4.734 4.170 -0.000 0.000 0.299 330 I C -2.570 173.561 176.117 0.024 0.000 1.036 330 I CA -2.696 58.623 61.300 0.032 0.000 1.074 330 I CB 2.432 40.457 38.000 0.042 0.000 1.258 330 I HN 0.266 nan 8.210 nan 0.000 0.430 331 P HA 0.189 nan 4.420 nan 0.000 0.266 331 P C -1.206 176.074 177.300 -0.034 0.000 1.215 331 P CA 0.269 63.361 63.100 -0.014 0.000 0.763 331 P CB 0.697 32.389 31.700 -0.012 0.000 0.806 332 S N 1.423 117.087 115.700 -0.061 0.000 2.627 332 S HA 0.646 5.116 4.470 -0.000 0.000 0.283 332 S C -0.748 173.703 174.600 -0.248 0.000 1.127 332 S CA -0.686 57.450 58.200 -0.108 0.000 0.863 332 S CB 1.588 64.830 63.200 0.070 0.000 1.121 332 S HN 0.073 nan 8.310 nan 0.000 0.479 333 V N 1.926 121.569 119.914 -0.452 0.000 2.656 333 V HA 0.495 4.615 4.120 -0.000 0.000 0.307 333 V C -1.034 174.760 176.094 -0.501 0.000 1.051 333 V CA -0.637 61.245 62.300 -0.696 0.000 0.893 333 V CB 1.574 32.424 31.823 -1.621 0.000 0.999 333 V HN 0.698 nan 8.190 nan 0.000 0.426 334 L N 3.674 124.669 121.223 -0.381 0.000 2.262 334 L HA 0.539 4.879 4.340 -0.000 0.000 0.288 334 L C 0.332 177.021 176.870 -0.302 0.000 1.035 334 L CA 0.077 54.763 54.840 -0.257 0.000 0.820 334 L CB 1.609 43.541 42.059 -0.213 0.000 1.204 334 L HN 0.699 nan 8.230 nan 0.000 0.424 335 S N 2.003 117.562 115.700 -0.236 0.000 2.565 335 S HA 0.709 5.179 4.470 -0.000 0.000 0.290 335 S C 0.349 174.950 174.600 0.001 0.000 1.150 335 S CA -0.397 57.757 58.200 -0.077 0.000 1.058 335 S CB 1.539 64.781 63.200 0.070 0.000 1.032 335 S HN 0.659 nan 8.310 nan 0.000 0.510 336 G N 2.469 111.299 108.800 0.050 0.000 2.621 336 G HA2 0.402 4.362 3.960 -0.000 0.000 0.271 336 G HA3 0.402 4.362 3.960 -0.000 0.000 0.271 336 G C -1.755 173.180 174.900 0.059 0.000 1.236 336 G CA -1.102 44.033 45.100 0.058 0.000 0.958 336 G HN 0.602 nan 8.290 nan 0.000 0.512 337 P HA 0.020 nan 4.420 nan 0.000 0.227 337 P C 1.186 178.278 177.300 -0.347 0.000 1.161 337 P CA 0.780 63.618 63.100 -0.437 0.000 0.788 337 P CB -0.171 30.796 31.700 -1.221 0.000 0.822 338 T N -2.798 111.700 114.554 -0.094 0.000 2.828 338 T HA 0.103 4.453 4.350 -0.000 0.000 0.290 338 T C 1.278 176.064 174.700 0.144 0.000 1.019 338 T CA -0.445 61.712 62.100 0.096 0.000 1.031 338 T CB 0.100 69.061 68.868 0.154 0.000 1.001 338 T HN -0.023 nan 8.240 nan 0.000 0.531 339 C N 0.933 120.287 119.300 0.089 0.000 2.466 339 C HA 0.068 4.528 4.460 -0.000 0.000 0.283 339 C C 1.136 176.215 174.990 0.148 0.000 1.472 339 C CA 0.166 59.236 59.018 0.085 0.000 1.765 339 C CB -1.686 26.062 27.740 0.014 0.000 1.724 339 C HN 0.858 nan 8.230 nan 0.000 0.560 340 D N 0.146 120.692 120.400 0.245 0.000 2.308 340 D HA 0.072 4.712 4.640 -0.000 0.000 0.251 340 D C 1.229 177.686 176.300 0.261 0.000 1.127 340 D CA 0.284 54.463 54.000 0.297 0.000 0.876 340 D CB 1.341 42.443 40.800 0.503 0.000 1.176 340 D HN 0.348 nan 8.370 nan 0.000 0.446 341 S N 2.165 117.985 115.700 0.199 0.000 2.469 341 S HA -0.143 4.327 4.470 -0.000 0.000 0.238 341 S C 1.940 176.652 174.600 0.188 0.000 0.998 341 S CA 0.387 58.703 58.200 0.193 0.000 0.957 341 S CB -0.102 63.181 63.200 0.138 0.000 0.764 341 S HN 0.375 nan 8.310 nan 0.000 0.514 342 V N 2.101 122.118 119.914 0.171 0.000 2.970 342 V HA -0.036 4.084 4.120 -0.000 0.000 0.260 342 V C 0.683 176.830 176.094 0.089 0.000 1.100 342 V CA 1.522 63.885 62.300 0.104 0.000 1.122 342 V CB -0.553 31.304 31.823 0.056 0.000 0.721 342 V HN 0.471 nan 8.190 nan 0.000 0.483 343 D N 0.740 121.253 120.400 0.187 0.000 2.558 343 D HA 0.197 4.837 4.640 -0.000 0.000 0.221 343 D C -0.631 175.742 176.300 0.122 0.000 1.143 343 D CA 0.300 54.404 54.000 0.175 0.000 1.010 343 D CB 0.116 41.131 40.800 0.358 0.000 1.068 343 D HN 0.176 nan 8.370 nan 0.000 0.511 344 V N 4.342 124.275 119.914 0.031 0.000 2.638 344 V HA 0.301 4.421 4.120 -0.000 0.000 0.306 344 V C 1.301 177.323 176.094 -0.121 0.000 1.052 344 V CA -0.646 61.619 62.300 -0.058 0.000 0.885 344 V CB 2.010 33.786 31.823 -0.078 0.000 0.999 344 V HN 0.291 nan 8.190 nan 0.000 0.424 345 I N 2.591 123.038 120.570 -0.206 0.000 2.731 345 I HA 0.383 4.553 4.170 -0.000 0.000 0.260 345 I C 0.970 176.954 176.117 -0.222 0.000 1.138 345 I CA 0.846 61.982 61.300 -0.274 0.000 1.461 345 I CB 0.389 38.064 38.000 -0.542 0.000 1.128 345 I HN 0.660 nan 8.210 nan 0.000 0.438 346 A N 0.388 123.065 122.820 -0.239 0.000 2.442 346 A HA 0.385 4.705 4.320 -0.000 0.000 0.284 346 A C 0.297 177.726 177.584 -0.258 0.000 1.058 346 A CA -0.501 51.415 52.037 -0.201 0.000 0.738 346 A CB 0.913 19.810 19.000 -0.171 0.000 1.242 346 A HN 0.143 nan 8.150 nan 0.000 0.421 347 E N 1.184 121.255 120.200 -0.216 0.000 2.216 347 E HA -0.023 4.327 4.350 -0.000 0.000 0.192 347 E C -0.368 176.095 176.600 -0.228 0.000 0.988 347 E CA 0.563 56.817 56.400 -0.245 0.000 0.834 347 E CB 0.177 29.790 29.700 -0.145 0.000 0.772 347 E HN 0.644 nan 8.360 nan 0.000 0.479 348 N N 0.431 119.032 118.700 -0.165 0.000 2.571 348 N HA 0.311 5.051 4.740 -0.000 0.000 0.286 348 N C -1.399 174.050 175.510 -0.101 0.000 1.138 348 N CA -0.167 52.808 53.050 -0.125 0.000 0.859 348 N CB 2.163 40.602 38.487 -0.081 0.000 1.414 348 N HN -0.008 nan 8.380 nan 0.000 0.529 349 I N 1.762 122.273 120.570 -0.098 0.000 2.644 349 I HA 0.374 4.544 4.170 -0.000 0.000 0.291 349 I C -1.281 174.814 176.117 -0.037 0.000 1.180 349 I CA -0.720 60.542 61.300 -0.064 0.000 1.040 349 I CB 1.918 39.875 38.000 -0.071 0.000 1.255 349 I HN 0.286 nan 8.210 nan 0.000 0.422 350 L N 7.899 129.110 121.223 -0.021 0.000 2.315 350 L HA 0.447 4.787 4.340 -0.000 0.000 0.283 350 L C -0.798 176.074 176.870 0.004 0.000 1.089 350 L CA -0.110 54.728 54.840 -0.004 0.000 0.833 350 L CB 0.532 42.589 42.059 -0.003 0.000 1.170 350 L HN 0.454 nan 8.230 nan 0.000 0.442 351 L N 5.360 126.597 121.223 0.024 0.000 2.371 351 L HA 0.614 4.954 4.340 -0.000 0.000 0.262 351 L C -2.285 174.606 176.870 0.035 0.000 1.006 351 L CA -2.062 52.789 54.840 0.020 0.000 0.818 351 L CB 2.759 44.833 42.059 0.024 0.000 1.354 351 L HN 0.346 nan 8.230 nan 0.000 0.415 352 P HA 0.032 nan 4.420 nan 0.000 0.272 352 P C -1.109 176.219 177.300 0.047 0.000 1.240 352 P CA -0.526 62.586 63.100 0.021 0.000 0.791 352 P CB 0.670 32.370 31.700 -0.001 0.000 0.978 353 K N 1.610 122.053 120.400 0.073 0.000 2.447 353 K HA 0.164 4.484 4.320 -0.000 0.000 0.281 353 K C -0.614 176.028 176.600 0.070 0.000 1.031 353 K CA 0.524 56.887 56.287 0.128 0.000 1.019 353 K CB -0.856 31.706 32.500 0.104 0.000 0.918 353 K HN 0.344 nan 8.250 nan 0.000 0.476 354 L N 4.074 125.344 121.223 0.079 0.000 2.334 354 L HA 0.455 4.795 4.340 -0.000 0.000 0.272 354 L C 0.239 177.160 176.870 0.085 0.000 1.020 354 L CA -1.173 53.629 54.840 -0.064 0.000 0.812 354 L CB 1.666 43.442 42.059 -0.473 0.000 1.264 354 L HN 0.649 nan 8.230 nan 0.000 0.439 355 N N 0.891 119.616 118.700 0.042 0.000 2.489 355 N HA 0.263 5.003 4.740 -0.000 0.000 0.284 355 N C -0.672 174.883 175.510 0.074 0.000 1.158 355 N CA -0.717 52.380 53.050 0.077 0.000 0.965 355 N CB 0.755 39.272 38.487 0.049 0.000 1.195 355 N HN 0.477 nan 8.380 nan 0.000 0.506 356 N N 0.246 119.007 118.700 0.101 0.000 2.356 356 N HA 0.103 4.843 4.740 -0.000 0.000 0.252 356 N C 1.433 176.979 175.510 0.060 0.000 1.241 356 N CA 1.146 54.254 53.050 0.097 0.000 0.861 356 N CB 0.247 38.793 38.487 0.099 0.000 1.075 356 N HN 0.805 nan 8.380 nan 0.000 0.461 357 G N 1.016 109.848 108.800 0.053 0.000 2.268 357 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.240 357 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.240 357 G C -0.089 174.819 174.900 0.015 0.000 1.010 357 G CA 0.025 45.147 45.100 0.036 0.000 0.618 357 G HN 0.593 nan 8.290 nan 0.000 0.516 358 D N 0.658 121.056 120.400 -0.004 0.000 2.378 358 D HA 0.504 5.144 4.640 -0.000 0.000 0.238 358 D C 1.071 177.344 176.300 -0.045 0.000 1.180 358 D CA 0.209 54.188 54.000 -0.034 0.000 0.895 358 D CB 0.623 41.382 40.800 -0.069 0.000 1.192 358 D HN 0.389 nan 8.370 nan 0.000 0.438 359 L N 0.495 121.690 121.223 -0.046 0.000 2.331 359 L HA 0.516 4.856 4.340 -0.000 0.000 0.275 359 L C -0.340 176.499 176.870 -0.051 0.000 1.022 359 L CA -1.027 53.794 54.840 -0.031 0.000 0.812 359 L CB 1.649 43.701 42.059 -0.011 0.000 1.257 359 L HN -0.045 nan 8.230 nan 0.000 0.435 360 V N 3.755 123.651 119.914 -0.030 0.000 2.487 360 V HA 0.469 4.589 4.120 -0.000 0.000 0.298 360 V C -0.212 175.903 176.094 0.035 0.000 1.028 360 V CA -0.310 61.974 62.300 -0.025 0.000 0.860 360 V CB 2.019 33.810 31.823 -0.053 0.000 0.991 360 V HN 0.487 nan 8.190 nan 0.000 0.427 361 I N 3.643 124.236 120.570 0.038 0.000 2.433 361 I HA 0.708 4.878 4.170 -0.000 0.000 0.292 361 I C 0.669 176.842 176.117 0.093 0.000 1.001 361 I CA -0.108 61.225 61.300 0.055 0.000 1.119 361 I CB 2.009 40.024 38.000 0.025 0.000 1.289 361 I HN 0.705 nan 8.210 nan 0.000 0.438 362 G N 5.628 114.494 108.800 0.110 0.000 2.415 362 G HA2 0.687 4.647 3.960 -0.000 0.000 0.327 362 G HA3 0.687 4.647 3.960 -0.000 0.000 0.327 362 G C -0.653 174.275 174.900 0.046 0.000 1.182 362 G CA -0.638 44.545 45.100 0.138 0.000 0.924 362 G HN 0.335 nan 8.290 nan 0.000 0.470 363 R N 0.916 121.470 120.500 0.091 0.000 2.758 363 R HA 0.628 4.968 4.340 -0.000 0.000 0.265 363 R C 0.235 176.584 176.300 0.082 0.000 1.016 363 R CA -0.646 55.482 56.100 0.047 0.000 1.040 363 R CB 0.242 30.567 30.300 0.042 0.000 1.152 363 R HN 0.702 nan 8.270 nan 0.000 0.503 364 T N 0.650 115.202 114.554 -0.004 0.000 4.039 364 T HA -0.108 4.242 4.350 -0.000 0.000 0.352 364 T C 0.591 175.352 174.700 0.102 0.000 0.756 364 T CA 0.801 62.885 62.100 -0.026 0.000 1.923 364 T CB -0.848 67.898 68.868 -0.203 0.000 1.848 364 T HN 0.469 nan 8.240 nan 0.000 0.835 365 M N -0.023 119.540 119.600 -0.061 0.000 2.493 365 M HA 0.248 4.728 4.480 -0.000 0.000 0.244 365 M C 2.082 178.292 176.300 -0.149 0.000 1.182 365 M CA 0.598 55.763 55.300 -0.225 0.000 0.981 365 M CB -0.207 32.181 32.600 -0.355 0.000 1.551 365 M HN 0.509 nan 8.290 nan 0.000 0.476 366 G N 0.502 109.266 108.800 -0.060 0.000 2.426 366 G HA2 0.223 4.183 3.960 -0.000 0.000 0.214 366 G HA3 0.223 4.183 3.960 -0.000 0.000 0.214 366 G C 0.496 175.368 174.900 -0.048 0.000 1.156 366 G CA 0.347 45.407 45.100 -0.067 0.000 0.802 366 G HN 0.504 nan 8.290 nan 0.000 0.534 367 A N -0.822 122.007 122.820 0.014 0.000 2.303 367 A HA 0.626 4.946 4.320 -0.000 0.000 0.320 367 A C -0.398 177.196 177.584 0.016 0.000 1.192 367 A CA -0.797 51.175 52.037 -0.108 0.000 0.821 367 A CB 0.317 19.295 19.000 -0.036 0.000 1.188 367 A HN 0.741 nan 8.150 nan 0.000 0.492 368 Y N 0.988 121.357 120.300 0.115 0.000 3.389 368 Y HA -0.308 4.242 4.550 -0.000 0.000 0.213 368 Y C 1.408 177.381 175.900 0.122 0.000 1.272 368 Y CA 1.135 59.301 58.100 0.109 0.000 1.444 368 Y CB -2.575 35.962 38.460 0.128 0.000 1.445 368 Y HN 1.003 nan 8.280 nan 0.000 0.583 369 T N -6.037 108.591 114.554 0.125 0.000 3.257 369 T HA 0.104 4.454 4.350 -0.000 0.000 0.176 369 T C 1.832 176.542 174.700 0.016 0.000 0.892 369 T CA 0.522 62.641 62.100 0.031 0.000 1.147 369 T CB -0.561 68.224 68.868 -0.138 0.000 1.840 369 T HN 0.327 nan 8.240 nan 0.000 0.375 370 S N 2.557 118.238 115.700 -0.032 0.000 2.402 370 S HA -0.031 4.439 4.470 -0.000 0.000 0.233 370 S C 2.414 177.034 174.600 0.033 0.000 1.030 370 S CA 1.236 59.437 58.200 0.003 0.000 1.003 370 S CB -1.299 61.896 63.200 -0.008 0.000 0.813 370 S HN 0.903 nan 8.310 nan 0.000 0.477 371 A N 1.911 124.746 122.820 0.025 0.000 2.024 371 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 371 A C 2.286 179.889 177.584 0.032 0.000 1.164 371 A CA 1.891 53.943 52.037 0.025 0.000 0.643 371 A CB -1.154 17.849 19.000 0.005 0.000 0.806 371 A HN 0.821 nan 8.150 nan 0.000 0.451 372 T N -3.283 111.306 114.554 0.058 0.000 3.174 372 T HA 0.643 4.993 4.350 -0.000 0.000 0.269 372 T C 0.496 175.275 174.700 0.131 0.000 1.017 372 T CA 0.255 62.367 62.100 0.020 0.000 0.899 372 T CB -0.199 68.654 68.868 -0.026 0.000 1.077 372 T HN 0.597 nan 8.240 nan 0.000 0.552 373 A N 2.139 125.039 122.820 0.133 0.000 2.448 373 A HA 0.576 4.896 4.320 -0.000 0.000 0.239 373 A C 0.946 178.655 177.584 0.208 0.000 1.080 373 A CA -0.033 52.114 52.037 0.183 0.000 0.779 373 A CB 0.068 19.154 19.000 0.143 0.000 1.026 373 A HN 0.683 nan 8.150 nan 0.000 0.499 374 T N -1.894 112.832 114.554 0.287 0.000 2.841 374 T HA 0.568 4.918 4.350 -0.000 0.000 0.276 374 T C -0.378 174.503 174.700 0.301 0.000 1.003 374 T CA -0.462 61.821 62.100 0.304 0.000 0.995 374 T CB 1.431 70.548 68.868 0.415 0.000 1.260 374 T HN 0.432 nan 8.240 nan 0.000 0.581 375 D N 0.087 120.673 120.400 0.308 0.000 2.559 375 D HA 0.209 4.849 4.640 -0.000 0.000 0.234 375 D C -0.386 176.142 176.300 0.379 0.000 1.226 375 D CA -0.297 53.902 54.000 0.332 0.000 0.830 375 D CB -0.058 40.922 40.800 0.300 0.000 1.028 375 D HN 0.367 nan 8.370 nan 0.000 0.492 376 F N 2.333 122.366 119.950 0.138 0.000 2.607 376 F HA -0.029 4.498 4.527 -0.000 0.000 0.374 376 F C 1.409 177.195 175.800 -0.023 0.000 1.104 376 F CA 0.369 58.332 58.000 -0.062 0.000 1.296 376 F CB -0.054 38.693 39.000 -0.421 0.000 1.085 376 F HN 0.149 nan 8.300 nan 0.000 0.584 377 N N 3.822 122.100 118.700 -0.704 0.000 2.857 377 N HA -0.307 4.433 4.740 -0.000 0.000 0.242 377 N C -0.014 175.281 175.510 -0.358 0.000 0.983 377 N CA 0.672 53.325 53.050 -0.662 0.000 0.934 377 N CB -0.903 37.300 38.487 -0.472 0.000 1.115 377 N HN 0.591 nan 8.380 nan 0.000 0.593 378 F N -2.794 117.071 119.950 -0.142 0.000 3.034 378 F HA -0.206 4.321 4.527 -0.000 0.000 0.286 378 F C 0.302 176.016 175.800 -0.144 0.000 0.804 378 F CA 0.326 58.260 58.000 -0.109 0.000 1.161 378 F CB -2.642 36.270 39.000 -0.147 0.000 1.317 378 F HN 0.041 nan 8.300 nan 0.000 0.453 379 F N 1.310 121.347 119.950 0.144 0.000 2.578 379 F HA 0.182 4.709 4.527 -0.000 0.000 0.376 379 F C 1.368 177.244 175.800 0.126 0.000 1.085 379 F CA 0.059 58.127 58.000 0.113 0.000 1.260 379 F CB 0.334 39.393 39.000 0.098 0.000 1.095 379 F HN -0.145 nan 8.300 nan 0.000 0.573 380 K N 4.055 124.629 120.400 0.289 0.000 2.436 380 K HA 0.126 4.446 4.320 -0.000 0.000 0.275 380 K C 0.227 176.945 176.600 0.198 0.000 0.999 380 K CA -0.175 56.226 56.287 0.191 0.000 0.980 380 K CB 0.494 33.078 32.500 0.141 0.000 0.919 380 K HN 0.540 nan 8.250 nan 0.000 0.484 381 R N 1.192 121.781 120.500 0.148 0.000 2.594 381 R HA 0.155 4.495 4.340 -0.000 0.000 0.272 381 R C -0.014 176.344 176.300 0.096 0.000 1.074 381 R CA -0.460 55.717 56.100 0.128 0.000 1.105 381 R CB 0.676 31.039 30.300 0.105 0.000 1.008 381 R HN 0.658 nan 8.270 nan 0.000 0.472 382 A N 2.286 125.152 122.820 0.077 0.000 2.540 382 A HA -0.054 4.266 4.320 -0.000 0.000 0.239 382 A C 0.150 177.748 177.584 0.023 0.000 1.061 382 A CA 0.054 52.119 52.037 0.046 0.000 0.758 382 A CB 0.171 19.180 19.000 0.015 0.000 0.991 382 A HN 0.739 nan 8.150 nan 0.000 0.502 383 Q N 1.412 121.220 119.800 0.012 0.000 2.304 383 Q HA 0.270 4.610 4.340 -0.000 0.000 0.260 383 Q C -0.613 175.348 176.000 -0.065 0.000 0.965 383 Q CA -0.020 55.771 55.803 -0.020 0.000 0.898 383 Q CB 0.541 29.262 28.738 -0.028 0.000 1.196 383 Q HN 0.688 nan 8.270 nan 0.000 0.402 384 T N 5.447 119.968 114.554 -0.054 0.000 2.743 384 T HA 0.344 4.694 4.350 -0.000 0.000 0.293 384 T C -0.270 174.332 174.700 -0.163 0.000 0.945 384 T CA -0.442 61.606 62.100 -0.087 0.000 1.030 384 T CB 0.251 69.114 68.868 -0.008 0.000 0.912 384 T HN 0.410 nan 8.240 nan 0.000 0.483 385 I N 3.338 123.765 120.570 -0.238 0.000 2.330 385 I HA 0.425 4.595 4.170 -0.000 0.000 0.289 385 I C 0.608 176.587 176.117 -0.231 0.000 1.001 385 I CA -1.231 59.880 61.300 -0.315 0.000 1.193 385 I CB 0.474 38.231 38.000 -0.405 0.000 1.345 385 I HN 0.606 nan 8.210 nan 0.000 0.461 386 A N 8.277 130.977 122.820 -0.200 0.000 2.320 386 A HA 0.701 5.021 4.320 -0.000 0.000 0.287 386 A C -0.233 177.271 177.584 -0.133 0.000 1.181 386 A CA -0.295 51.629 52.037 -0.188 0.000 0.831 386 A CB 0.339 19.237 19.000 -0.170 0.000 1.102 386 A HN 0.710 nan 8.150 nan 0.000 0.513 387 L N 2.241 123.387 121.223 -0.128 0.000 2.334 387 L HA 0.446 4.786 4.340 -0.000 0.000 0.273 387 L C 0.141 176.954 176.870 -0.094 0.000 1.013 387 L CA -0.937 53.855 54.840 -0.080 0.000 0.816 387 L CB 1.216 43.240 42.059 -0.059 0.000 1.278 387 L HN 0.803 nan 8.230 nan 0.000 0.431 388 N N 1.128 119.793 118.700 -0.058 0.000 2.735 388 N HA -0.227 4.513 4.740 -0.000 0.000 0.248 388 N C 0.948 176.377 175.510 -0.135 0.000 1.083 388 N CA 1.276 54.290 53.050 -0.060 0.000 0.703 388 N CB -0.830 37.623 38.487 -0.056 0.000 1.005 388 N HN 0.825 nan 8.380 nan 0.000 0.550 389 E N -1.003 119.062 120.200 -0.226 0.000 2.085 389 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 389 E C 0.072 176.286 176.600 -0.644 0.000 0.994 389 E CA 1.154 57.242 56.400 -0.519 0.000 0.801 389 E CB 0.194 29.434 29.700 -0.766 0.000 0.743 389 E HN 0.370 nan 8.360 nan 0.000 0.453 390 F N 0.000 119.940 119.950 -0.017 0.000 2.286 390 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 390 F CA 0.000 57.992 58.000 -0.014 0.000 1.383 390 F CB 0.000 38.995 39.000 -0.008 0.000 1.145 390 F HN 0.000 nan 8.300 nan 0.000 0.574