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 2q7w_1_A DATA FIRST_RESID 1 DATA SEQUENCE MFENITAAPA XXXXXXXXXX XXXXXXXKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE TTKNYLGIDG IPEFGRCTQE LLFGKGSALI NDKRARTAQT DATA SEQUENCE PGGTGALRVA ADFLAKNTSV KRVWVSNPSW PNHKSVFNSA GLEVREYAYY DATA SEQUENCE DAENHTLDFD ALINSLNEAQ AGDVVLFHGC CHNPTGIDPT LEQWQTLAQL DATA SEQUENCE SVEKGWLPLF DFAYQGFARG LEEDAEGLRA FAAMHKELIV ASSYSXNFGL DATA SEQUENCE YNERVGACTL VAADSETVDR AFSQMKAAIR ANYSNPPAHG ASVVATILSN DATA SEQUENCE DALRAIWEQE LTDMRQRIQR MRQLFVNTLQ EKGANRDFSF IIKQNGMFSF DATA SEQUENCE SGLTKEQVLR LREEFGVYAV ASGRVNVAGM TPDNMAPLCE AIVAVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.269 176.300 -0.051 0.000 1.140 1 M CA 0.000 55.143 55.300 -0.262 0.000 0.988 1 M CB 0.000 32.316 32.600 -0.473 0.000 1.302 2 F N 1.762 121.710 119.950 -0.003 0.000 2.678 2 F HA 0.281 4.824 4.527 0.027 0.000 0.305 2 F C 2.181 177.979 175.800 -0.004 0.000 1.090 2 F CA 0.423 58.420 58.000 -0.004 0.000 1.272 2 F CB -0.302 38.696 39.000 -0.004 0.000 1.060 2 F HN 0.242 nan 8.300 nan 0.000 0.576 3 E N 1.146 121.425 120.200 0.132 0.000 2.268 3 E HA -0.195 4.171 4.350 0.027 0.000 0.195 3 E C 0.260 176.899 176.600 0.065 0.000 0.995 3 E CA 1.429 57.879 56.400 0.084 0.000 0.836 3 E CB -0.856 28.866 29.700 0.037 0.000 0.763 3 E HN 0.534 nan 8.360 nan 0.000 0.491 4 N N 0.651 119.391 118.700 0.066 0.000 2.234 4 N HA 0.190 4.946 4.740 0.027 0.000 0.227 4 N C 0.162 175.698 175.510 0.044 0.000 1.151 4 N CA -0.339 52.738 53.050 0.044 0.000 0.865 4 N CB -0.069 38.436 38.487 0.029 0.000 1.066 4 N HN 0.041 nan 8.380 nan 0.000 0.515 5 I N 1.746 122.353 120.570 0.061 0.000 2.683 5 I HA -0.022 4.164 4.170 0.027 0.000 0.286 5 I C 0.576 176.702 176.117 0.015 0.000 1.175 5 I CA -0.095 61.228 61.300 0.038 0.000 1.429 5 I CB 0.481 38.501 38.000 0.033 0.000 1.371 5 I HN 0.246 nan 8.210 nan 0.000 0.569 6 T N 3.601 118.158 114.554 0.004 0.000 2.889 6 T HA 0.587 4.953 4.350 0.027 0.000 0.291 6 T C 0.188 174.880 174.700 -0.014 0.000 0.995 6 T CA -1.054 61.043 62.100 -0.004 0.000 1.092 6 T CB 1.448 70.313 68.868 -0.005 0.000 0.954 6 T HN 0.671 nan 8.240 nan 0.000 0.506 7 A N 2.231 125.042 122.820 -0.016 0.000 2.483 7 A HA 0.583 4.919 4.320 0.027 0.000 0.238 7 A C 0.982 178.550 177.584 -0.027 0.000 1.070 7 A CA -0.318 51.706 52.037 -0.023 0.000 0.770 7 A CB -0.682 18.306 19.000 -0.019 0.000 1.008 7 A HN 1.465 nan 8.150 nan 0.000 0.497 8 A N 3.288 126.087 122.820 -0.035 0.000 2.466 8 A HA 0.536 4.872 4.320 0.027 0.000 0.238 8 A C -1.402 176.160 177.584 -0.036 0.000 1.074 8 A CA -0.745 51.268 52.037 -0.039 0.000 0.774 8 A CB -0.658 18.314 19.000 -0.047 0.000 1.015 8 A HN 0.804 nan 8.150 nan 0.000 0.498 9 P HA 0.606 nan 4.420 nan 0.000 0.276 9 P C -0.465 176.810 177.300 -0.042 0.000 1.244 9 P CA -0.001 63.077 63.100 -0.037 0.000 0.801 9 P CB 1.482 33.158 31.700 -0.040 0.000 1.006 29 I N 1.278 121.922 120.570 0.125 0.000 2.607 29 I HA 0.314 4.500 4.170 0.027 0.000 0.290 29 I C -1.315 174.862 176.117 0.100 0.000 1.129 29 I CA -0.941 60.406 61.300 0.078 0.000 1.042 29 I CB 2.330 40.378 38.000 0.079 0.000 1.242 29 I HN 0.616 nan 8.210 nan 0.000 0.421 30 N N 6.422 125.132 118.700 0.017 0.000 2.546 30 N HA 0.421 5.177 4.740 0.027 0.000 0.238 30 N C -0.343 175.189 175.510 0.036 0.000 0.984 30 N CA -0.308 52.754 53.050 0.020 0.000 0.935 30 N CB 1.010 39.448 38.487 -0.082 0.000 1.122 30 N HN 0.571 nan 8.380 nan 0.000 0.510 31 L N 1.643 122.918 121.223 0.086 0.000 2.848 31 L HA 0.385 4.741 4.340 0.027 0.000 0.240 31 L C 1.550 178.486 176.870 0.110 0.000 1.232 31 L CA -0.205 54.673 54.840 0.063 0.000 1.031 31 L CB 0.465 42.546 42.059 0.036 0.000 1.338 31 L HN 0.495 nan 8.230 nan 0.000 0.509 32 G N -0.054 108.816 108.800 0.117 0.000 3.159 32 G HA2 0.309 4.285 3.960 0.027 0.000 0.232 32 G HA3 0.309 4.285 3.960 0.027 0.000 0.232 32 G C 0.117 175.096 174.900 0.132 0.000 1.116 32 G CA 0.123 45.299 45.100 0.126 0.000 0.767 32 G HN 0.230 nan 8.290 nan 0.000 0.547 33 I N -0.973 119.706 120.570 0.182 0.000 2.894 33 I HA 0.565 4.751 4.170 0.027 0.000 0.302 33 I C 0.275 176.623 176.117 0.386 0.000 1.188 33 I CA -1.327 60.105 61.300 0.219 0.000 1.014 33 I CB 2.188 40.254 38.000 0.110 0.000 1.242 33 I HN -0.069 nan 8.210 nan 0.000 0.430 34 G N 5.960 115.120 108.800 0.600 0.000 3.401 34 G HA2 0.397 4.373 3.960 0.027 0.000 0.251 34 G HA3 0.397 4.373 3.960 0.027 0.000 0.251 34 G C -0.339 174.675 174.900 0.190 0.000 0.960 34 G CA 0.004 45.436 45.100 0.554 0.000 1.900 34 G HN 0.513 nan 8.290 nan 0.000 0.645 35 V N -0.809 119.141 119.914 0.061 0.000 2.459 35 V HA 0.651 4.787 4.120 0.027 0.000 0.295 35 V C -0.454 175.660 176.094 0.033 0.000 1.029 35 V CA -1.866 60.414 62.300 -0.034 0.000 0.874 35 V CB 1.164 32.779 31.823 -0.346 0.000 0.985 35 V HN 0.322 nan 8.190 nan 0.000 0.438 36 Y N 4.835 125.189 120.300 0.089 0.000 2.497 36 Y HA 0.486 5.051 4.550 0.025 0.000 0.334 36 Y C 0.396 176.330 175.900 0.057 0.000 1.199 36 Y CA 0.304 58.451 58.100 0.078 0.000 1.425 36 Y CB 0.732 39.318 38.460 0.211 0.000 1.291 36 Y HN 0.784 nan 8.280 nan 0.000 0.562 37 K N 4.574 124.496 120.400 -0.796 0.000 2.375 37 K HA 0.220 4.556 4.320 0.027 0.000 0.249 37 K C -1.063 174.988 176.600 -0.915 0.000 0.942 37 K CA -1.066 54.877 56.287 -0.573 0.000 0.806 37 K CB 1.425 33.748 32.500 -0.295 0.000 1.227 37 K HN 0.751 nan 8.250 nan 0.000 0.430 38 D N 0.615 120.804 120.400 -0.350 0.000 2.478 38 D HA -0.066 4.590 4.640 0.027 0.000 0.274 38 D C 0.982 177.218 176.300 -0.106 0.000 1.234 38 D CA -0.247 53.682 54.000 -0.119 0.000 1.069 38 D CB 0.429 41.297 40.800 0.114 0.000 1.113 38 D HN 0.548 nan 8.370 nan 0.000 0.571 39 E N -0.763 119.424 120.200 -0.023 0.000 2.338 39 E HA -0.176 4.190 4.350 0.027 0.000 0.197 39 E C 1.281 177.866 176.600 -0.025 0.000 1.007 39 E CA 1.546 57.932 56.400 -0.023 0.000 0.849 39 E CB -1.013 28.691 29.700 0.006 0.000 0.774 39 E HN 0.599 nan 8.360 nan 0.000 0.506 40 T N -3.323 111.221 114.554 -0.018 0.000 3.107 40 T HA 0.385 4.751 4.350 0.027 0.000 0.249 40 T C 1.392 176.074 174.700 -0.029 0.000 1.096 40 T CA 0.463 62.554 62.100 -0.015 0.000 1.012 40 T CB -0.029 68.840 68.868 0.001 0.000 0.977 40 T HN 0.348 nan 8.240 nan 0.000 0.527 41 G N 1.268 110.035 108.800 -0.056 0.000 2.136 41 G HA2 -0.224 3.752 3.960 0.027 0.000 0.242 41 G HA3 -0.224 3.752 3.960 0.027 0.000 0.242 41 G C -0.149 174.716 174.900 -0.059 0.000 0.989 41 G CA 0.242 45.300 45.100 -0.070 0.000 0.682 41 G HN 0.698 nan 8.290 nan 0.000 0.522 42 K N -0.448 119.929 120.400 -0.038 0.000 2.238 42 K HA 0.696 5.032 4.320 0.027 0.000 0.239 42 K C -0.458 176.151 176.600 0.014 0.000 0.987 42 K CA -0.631 55.651 56.287 -0.009 0.000 0.857 42 K CB 1.523 34.032 32.500 0.016 0.000 1.154 42 K HN 0.011 nan 8.250 nan 0.000 0.439 43 T N 3.579 118.161 114.554 0.047 0.000 3.154 43 T HA 0.242 4.608 4.350 0.027 0.000 0.381 43 T C -2.241 172.555 174.700 0.160 0.000 1.368 43 T CA -1.337 60.838 62.100 0.125 0.000 1.155 43 T CB 0.459 69.366 68.868 0.065 0.000 1.120 43 T HN 0.430 nan 8.240 nan 0.000 0.570 44 P HA 0.343 nan 4.420 nan 0.000 0.274 44 P C -0.282 177.124 177.300 0.177 0.000 1.246 44 P CA -0.503 62.687 63.100 0.150 0.000 0.795 44 P CB 0.752 32.533 31.700 0.135 0.000 1.006 45 V N 1.895 121.895 119.914 0.144 0.000 2.572 45 V HA -0.018 4.118 4.120 0.027 0.000 0.291 45 V C 1.024 177.199 176.094 0.135 0.000 1.039 45 V CA -0.369 62.020 62.300 0.149 0.000 1.055 45 V CB 0.028 31.925 31.823 0.124 0.000 0.969 45 V HN 0.362 nan 8.190 nan 0.000 0.482 46 L N 4.575 125.885 121.223 0.146 0.000 2.483 46 L HA 0.076 4.433 4.340 0.027 0.000 0.276 46 L C 1.751 178.685 176.870 0.107 0.000 1.213 46 L CA 1.008 55.923 54.840 0.124 0.000 0.843 46 L CB 0.422 42.571 42.059 0.150 0.000 1.107 46 L HN 0.810 nan 8.230 nan 0.000 0.487 47 T N -0.179 114.425 114.554 0.083 0.000 2.746 47 T HA -0.169 4.197 4.350 0.027 0.000 0.267 47 T C 1.895 176.642 174.700 0.078 0.000 1.039 47 T CA 1.622 63.764 62.100 0.070 0.000 1.142 47 T CB -0.131 68.767 68.868 0.050 0.000 0.866 47 T HN 0.859 nan 8.240 nan 0.000 0.444 48 S N 1.411 117.168 115.700 0.095 0.000 2.383 48 S HA -0.122 4.364 4.470 0.027 0.000 0.229 48 S C 2.151 176.810 174.600 0.099 0.000 1.030 48 S CA 1.165 59.429 58.200 0.107 0.000 1.002 48 S CB -1.035 62.269 63.200 0.174 0.000 0.829 48 S HN 0.306 nan 8.310 nan 0.000 0.467 49 V N 2.379 122.366 119.914 0.122 0.000 2.307 49 V HA -0.133 4.003 4.120 0.027 0.000 0.245 49 V C 2.861 179.002 176.094 0.078 0.000 1.045 49 V CA 1.827 64.186 62.300 0.099 0.000 1.024 49 V CB -0.625 31.277 31.823 0.131 0.000 0.651 49 V HN 0.400 nan 8.190 nan 0.000 0.449 50 K N 0.446 120.898 120.400 0.087 0.000 2.063 50 K HA -0.197 4.139 4.320 0.027 0.000 0.208 50 K C 2.128 178.773 176.600 0.074 0.000 1.048 50 K CA 1.554 57.890 56.287 0.081 0.000 0.928 50 K CB -0.406 32.139 32.500 0.074 0.000 0.713 50 K HN 0.471 nan 8.250 nan 0.000 0.442 51 K N 0.304 120.744 120.400 0.067 0.000 2.057 51 K HA -0.071 4.265 4.320 0.027 0.000 0.207 51 K C 2.207 178.854 176.600 0.078 0.000 1.049 51 K CA 1.209 57.535 56.287 0.066 0.000 0.931 51 K CB -0.153 32.376 32.500 0.048 0.000 0.714 51 K HN 0.111 nan 8.250 nan 0.000 0.440 52 A N 1.702 124.553 122.820 0.053 0.000 1.933 52 A HA -0.201 4.135 4.320 0.027 0.000 0.218 52 A C 1.882 179.515 177.584 0.082 0.000 1.175 52 A CA 1.442 53.507 52.037 0.046 0.000 0.628 52 A CB -0.336 18.648 19.000 -0.026 0.000 0.814 52 A HN 0.288 nan 8.150 nan 0.000 0.444 53 E N -0.959 119.278 120.200 0.063 0.000 2.110 53 E HA -0.248 4.118 4.350 0.027 0.000 0.193 53 E C 2.217 178.884 176.600 0.113 0.000 0.988 53 E CA 1.285 57.745 56.400 0.099 0.000 0.804 53 E CB -0.119 29.673 29.700 0.153 0.000 0.745 53 E HN 0.684 nan 8.360 nan 0.000 0.458 54 Q N 0.451 120.313 119.800 0.103 0.000 2.061 54 Q HA -0.235 4.121 4.340 0.027 0.000 0.204 54 Q C 1.862 177.914 176.000 0.087 0.000 0.984 54 Q CA 1.637 57.491 55.803 0.085 0.000 0.846 54 Q CB -0.552 28.237 28.738 0.085 0.000 0.902 54 Q HN 0.413 nan 8.270 nan 0.000 0.421 55 Y N 0.072 120.375 120.300 0.005 0.000 2.145 55 Y HA -0.178 4.386 4.550 0.025 0.000 0.286 55 Y C 1.717 177.614 175.900 -0.005 0.000 1.145 55 Y CA 1.835 59.933 58.100 -0.003 0.000 1.148 55 Y CB -0.175 38.277 38.460 -0.013 0.000 0.981 55 Y HN 0.163 nan 8.280 nan 0.000 0.507 56 L N -0.766 120.493 121.223 0.059 0.000 2.083 56 L HA -0.207 4.149 4.340 0.027 0.000 0.209 56 L C 2.411 179.243 176.870 -0.063 0.000 1.083 56 L CA 1.094 55.921 54.840 -0.023 0.000 0.752 56 L CB -0.745 41.344 42.059 0.051 0.000 0.899 56 L HN 0.325 nan 8.230 nan 0.000 0.433 57 L N 0.148 121.360 121.223 -0.017 0.000 2.042 57 L HA -0.218 4.139 4.340 0.027 0.000 0.210 57 L C 2.323 179.147 176.870 -0.077 0.000 1.076 57 L CA 1.838 56.663 54.840 -0.026 0.000 0.749 57 L CB -0.408 41.652 42.059 0.002 0.000 0.893 57 L HN 0.208 nan 8.230 nan 0.000 0.432 58 E N -1.010 119.115 120.200 -0.124 0.000 2.208 58 E HA -0.094 4.272 4.350 0.027 0.000 0.193 58 E C 1.438 177.915 176.600 -0.207 0.000 0.988 58 E CA 0.981 57.291 56.400 -0.149 0.000 0.828 58 E CB 0.016 29.622 29.700 -0.157 0.000 0.763 58 E HN 0.597 nan 8.360 nan 0.000 0.478 59 N N 0.274 118.790 118.700 -0.307 0.000 2.397 59 N HA 0.021 4.777 4.740 0.027 0.000 0.190 59 N C -0.205 175.196 175.510 -0.182 0.000 1.099 59 N CA 0.099 52.960 53.050 -0.316 0.000 0.876 59 N CB 0.646 38.766 38.487 -0.611 0.000 1.143 59 N HN 0.108 nan 8.380 nan 0.000 0.468 60 E N 1.075 121.191 120.200 -0.139 0.000 2.415 60 E HA 0.000 4.366 4.350 0.027 0.000 0.263 60 E C 0.606 177.168 176.600 -0.064 0.000 0.995 60 E CA 0.415 56.770 56.400 -0.076 0.000 0.915 60 E CB 0.677 30.349 29.700 -0.046 0.000 0.951 60 E HN 0.256 nan 8.360 nan 0.000 0.449 61 T N -0.940 113.584 114.554 -0.050 0.000 3.040 61 T HA 0.120 4.486 4.350 0.027 0.000 0.266 61 T C 0.415 175.092 174.700 -0.037 0.000 1.005 61 T CA -0.344 61.730 62.100 -0.042 0.000 0.906 61 T CB 0.716 69.562 68.868 -0.037 0.000 1.082 61 T HN 0.325 nan 8.240 nan 0.000 0.531 62 T N 0.430 114.962 114.554 -0.038 0.000 2.840 62 T HA 0.443 4.809 4.350 0.027 0.000 0.317 62 T C -1.135 173.535 174.700 -0.051 0.000 1.401 62 T CA -0.727 61.348 62.100 -0.043 0.000 1.028 62 T CB 1.569 70.416 68.868 -0.036 0.000 1.317 62 T HN -0.161 nan 8.240 nan 0.000 0.495 63 K N 2.254 122.610 120.400 -0.072 0.000 2.514 63 K HA 0.241 4.577 4.320 0.027 0.000 0.207 63 K C 0.440 176.953 176.600 -0.145 0.000 1.035 63 K CA -0.491 55.740 56.287 -0.094 0.000 1.113 63 K CB -0.224 32.213 32.500 -0.104 0.000 0.846 63 K HN 0.411 nan 8.250 nan 0.000 0.491 64 N N 1.263 119.895 118.700 -0.113 0.000 2.395 64 N HA -0.113 4.643 4.740 0.027 0.000 0.246 64 N C -0.465 174.996 175.510 -0.082 0.000 1.246 64 N CA 0.271 53.245 53.050 -0.126 0.000 0.879 64 N CB 0.200 38.668 38.487 -0.031 0.000 1.098 64 N HN -0.032 nan 8.380 nan 0.000 0.444 65 Y N 1.716 122.016 120.300 0.000 0.000 2.904 65 Y HA -0.096 4.472 4.550 0.031 0.000 0.336 65 Y C 0.989 176.890 175.900 0.002 0.000 1.263 65 Y CA 0.362 58.463 58.100 0.003 0.000 1.547 65 Y CB 0.068 38.531 38.460 0.004 0.000 1.272 65 Y HN 0.274 nan 8.280 nan 0.000 0.596 66 L N 2.699 124.025 121.223 0.170 0.000 2.472 66 L HA 0.262 4.618 4.340 0.027 0.000 0.260 66 L C 1.341 178.270 176.870 0.099 0.000 1.209 66 L CA -0.247 54.653 54.840 0.101 0.000 0.817 66 L CB 0.053 42.147 42.059 0.058 0.000 1.106 66 L HN 0.833 nan 8.230 nan 0.000 0.479 67 G N 0.408 109.248 108.800 0.067 0.000 2.699 67 G HA2 0.150 4.126 3.960 0.027 0.000 0.246 67 G HA3 0.150 4.126 3.960 0.027 0.000 0.246 67 G C 0.974 175.897 174.900 0.038 0.000 1.219 67 G CA -0.444 44.684 45.100 0.047 0.000 0.866 67 G HN 0.686 nan 8.290 nan 0.000 0.572 68 I N 0.273 120.844 120.570 0.001 0.000 2.264 68 I HA -0.171 4.015 4.170 0.027 0.000 0.248 68 I C 2.021 178.147 176.117 0.015 0.000 1.111 68 I CA 1.696 62.977 61.300 -0.032 0.000 1.382 68 I CB -0.105 37.834 38.000 -0.101 0.000 1.060 68 I HN 0.585 nan 8.210 nan 0.000 0.418 69 D N 0.315 120.752 120.400 0.062 0.000 2.340 69 D HA 0.192 4.848 4.640 0.027 0.000 0.220 69 D C 1.073 177.463 176.300 0.151 0.000 1.039 69 D CA 0.727 54.821 54.000 0.156 0.000 0.866 69 D CB -0.217 40.781 40.800 0.330 0.000 0.913 69 D HN 0.373 nan 8.370 nan 0.000 0.523 70 G N 0.700 109.554 108.800 0.090 0.000 2.584 70 G HA2 -0.233 3.743 3.960 0.027 0.000 0.229 70 G HA3 -0.233 3.743 3.960 0.027 0.000 0.229 70 G C -0.460 174.467 174.900 0.045 0.000 1.320 70 G CA -0.334 44.786 45.100 0.034 0.000 0.891 70 G HN 0.305 nan 8.290 nan 0.000 0.573 71 I N 2.648 123.218 120.570 0.000 0.000 2.452 71 I HA 0.182 4.368 4.170 0.027 0.000 0.287 71 I C -0.986 175.196 176.117 0.109 0.000 1.079 71 I CA -1.551 59.770 61.300 0.035 0.000 1.387 71 I CB 1.637 39.632 38.000 -0.009 0.000 1.404 71 I HN 0.292 nan 8.210 nan 0.000 0.522 72 P HA -0.215 nan 4.420 nan 0.000 0.215 72 P C 1.404 178.746 177.300 0.070 0.000 1.157 72 P CA 1.042 64.188 63.100 0.076 0.000 0.874 72 P CB 0.281 32.011 31.700 0.049 0.000 0.790 73 E N -1.126 119.106 120.200 0.054 0.000 2.153 73 E HA -0.201 4.165 4.350 0.027 0.000 0.194 73 E C 1.721 178.337 176.600 0.027 0.000 0.988 73 E CA 0.991 57.404 56.400 0.022 0.000 0.811 73 E CB -1.129 28.573 29.700 0.003 0.000 0.746 73 E HN 0.165 nan 8.360 nan 0.000 0.466 74 F N -0.055 119.839 119.950 -0.094 0.000 2.134 74 F HA -0.025 4.517 4.527 0.026 0.000 0.299 74 F C 2.001 177.757 175.800 -0.074 0.000 1.097 74 F CA 1.984 59.908 58.000 -0.128 0.000 1.264 74 F CB -0.620 38.305 39.000 -0.126 0.000 1.001 74 F HN 0.113 nan 8.300 nan 0.000 0.479 75 G N 0.196 109.069 108.800 0.121 0.000 2.402 75 G HA2 -0.211 3.765 3.960 0.027 0.000 0.216 75 G HA3 -0.211 3.765 3.960 0.027 0.000 0.216 75 G C 1.818 176.671 174.900 -0.078 0.000 1.162 75 G CA 0.615 45.729 45.100 0.023 0.000 0.777 75 G HN 0.301 nan 8.290 nan 0.000 0.539 76 R N -0.565 119.903 120.500 -0.054 0.000 2.081 76 R HA -0.050 4.306 4.340 0.027 0.000 0.235 76 R C 2.681 178.917 176.300 -0.106 0.000 1.131 76 R CA 1.371 57.434 56.100 -0.061 0.000 0.960 76 R CB -0.689 29.587 30.300 -0.039 0.000 0.856 76 R HN 0.379 nan 8.270 nan 0.000 0.436 77 C N -0.180 119.027 119.300 -0.156 0.000 2.435 77 C HA -0.050 4.426 4.460 0.027 0.000 0.279 77 C C 2.691 177.544 174.990 -0.229 0.000 1.321 77 C CA 0.877 59.782 59.018 -0.188 0.000 1.752 77 C CB -0.750 26.845 27.740 -0.242 0.000 1.959 77 C HN 0.540 nan 8.230 nan 0.000 0.500 78 T N 0.621 114.982 114.554 -0.322 0.000 2.708 78 T HA -0.212 4.154 4.350 0.027 0.000 0.266 78 T C 1.843 176.386 174.700 -0.262 0.000 1.037 78 T CA 1.469 63.395 62.100 -0.291 0.000 1.146 78 T CB -0.296 68.346 68.868 -0.376 0.000 0.865 78 T HN 0.641 nan 8.240 nan 0.000 0.435 79 Q N 0.363 120.047 119.800 -0.193 0.000 2.124 79 Q HA -0.120 4.237 4.340 0.027 0.000 0.202 79 Q C 2.395 178.315 176.000 -0.132 0.000 0.977 79 Q CA 1.151 56.866 55.803 -0.147 0.000 0.850 79 Q CB -0.115 28.655 28.738 0.053 0.000 0.901 79 Q HN 0.602 nan 8.270 nan 0.000 0.429 80 E N 0.788 120.930 120.200 -0.096 0.000 2.072 80 E HA -0.175 4.191 4.350 0.027 0.000 0.191 80 E C 1.983 178.512 176.600 -0.118 0.000 0.985 80 E CA 0.556 56.916 56.400 -0.068 0.000 0.801 80 E CB 0.034 29.702 29.700 -0.053 0.000 0.750 80 E HN 0.322 nan 8.360 nan 0.000 0.452 81 L N 0.573 121.702 121.223 -0.157 0.000 2.083 81 L HA -0.206 4.150 4.340 0.027 0.000 0.209 81 L C 2.506 179.188 176.870 -0.314 0.000 1.083 81 L CA 0.848 55.590 54.840 -0.164 0.000 0.752 81 L CB -0.226 41.768 42.059 -0.110 0.000 0.899 81 L HN 0.268 nan 8.230 nan 0.000 0.433 82 L N -1.836 119.079 121.223 -0.513 0.000 2.044 82 L HA -0.152 4.204 4.340 0.027 0.000 0.205 82 L C 2.008 178.471 176.870 -0.677 0.000 1.075 82 L CA 1.240 55.574 54.840 -0.842 0.000 0.747 82 L CB -0.271 40.954 42.059 -1.389 0.000 0.903 82 L HN 0.180 nan 8.230 nan 0.000 0.435 83 F N -0.612 119.238 119.950 -0.167 0.000 2.717 83 F HA 0.420 4.963 4.527 0.028 0.000 0.297 83 F C 1.175 176.916 175.800 -0.098 0.000 1.113 83 F CA 0.004 57.926 58.000 -0.130 0.000 1.319 83 F CB -0.166 38.770 39.000 -0.106 0.000 1.097 83 F HN 0.049 nan 8.300 nan 0.000 0.595 84 G N 1.712 110.535 108.800 0.039 0.000 2.785 84 G HA2 -0.158 3.818 3.960 0.027 0.000 0.686 84 G HA3 -0.158 3.818 3.960 0.027 0.000 0.686 84 G C -0.406 174.510 174.900 0.026 0.000 1.155 84 G CA -0.880 44.229 45.100 0.015 0.000 0.760 84 G HN 0.443 nan 8.290 nan 0.000 0.624 85 K N 0.877 121.279 120.400 0.004 0.000 2.511 85 K HA 0.447 4.783 4.320 0.027 0.000 0.280 85 K C 1.405 178.008 176.600 0.005 0.000 1.008 85 K CA 0.597 56.886 56.287 0.002 0.000 1.050 85 K CB 0.715 33.212 32.500 -0.006 0.000 0.889 85 K HN 2.484 nan 8.250 nan 0.000 0.484 86 G N 1.414 110.217 108.800 0.004 0.000 2.162 86 G HA2 -0.356 3.620 3.960 0.027 0.000 0.260 86 G HA3 -0.356 3.620 3.960 0.027 0.000 0.260 86 G C 0.205 175.103 174.900 -0.002 0.000 0.976 86 G CA 0.312 45.411 45.100 -0.002 0.000 0.655 86 G HN 0.915 nan 8.290 nan 0.000 0.533 87 S N 0.203 115.909 115.700 0.009 0.000 2.558 87 S HA 0.471 4.957 4.470 0.027 0.000 0.293 87 S C 1.992 176.570 174.600 -0.037 0.000 1.292 87 S CA 0.710 58.908 58.200 -0.003 0.000 1.063 87 S CB 0.794 64.014 63.200 0.033 0.000 0.831 87 S HN 1.710 nan 8.310 nan 0.000 0.499 88 A N 5.051 127.839 122.820 -0.054 0.000 1.978 88 A HA -0.069 4.267 4.320 0.027 0.000 0.220 88 A C 1.972 179.495 177.584 -0.102 0.000 1.170 88 A CA 1.478 53.475 52.037 -0.066 0.000 0.636 88 A CB -0.664 18.299 19.000 -0.062 0.000 0.810 88 A HN 0.797 nan 8.150 nan 0.000 0.448 89 L N -0.473 120.647 121.223 -0.172 0.000 2.083 89 L HA -0.135 4.221 4.340 0.027 0.000 0.209 89 L C 2.338 179.103 176.870 -0.176 0.000 1.083 89 L CA 1.506 56.189 54.840 -0.260 0.000 0.752 89 L CB -0.434 41.269 42.059 -0.593 0.000 0.899 89 L HN 0.420 nan 8.230 nan 0.000 0.433 90 I N -1.156 119.351 120.570 -0.106 0.000 2.277 90 I HA -0.228 3.958 4.170 0.027 0.000 0.243 90 I C 1.970 178.061 176.117 -0.043 0.000 1.094 90 I CA 1.109 62.384 61.300 -0.042 0.000 1.393 90 I CB -0.360 37.647 38.000 0.011 0.000 1.078 90 I HN 0.307 nan 8.210 nan 0.000 0.417 91 N N 0.750 119.425 118.700 -0.041 0.000 2.166 91 N HA -0.180 4.576 4.740 0.027 0.000 0.186 91 N C 0.753 176.241 175.510 -0.037 0.000 1.019 91 N CA 1.107 54.138 53.050 -0.033 0.000 0.856 91 N CB 0.032 38.502 38.487 -0.029 0.000 0.993 91 N HN 0.279 nan 8.380 nan 0.000 0.426 92 D N 0.490 120.860 120.400 -0.049 0.000 2.340 92 D HA 0.045 4.701 4.640 0.027 0.000 0.220 92 D C -0.095 176.176 176.300 -0.048 0.000 1.039 92 D CA 0.313 54.286 54.000 -0.046 0.000 0.866 92 D CB 0.218 40.987 40.800 -0.051 0.000 0.913 92 D HN 0.133 nan 8.370 nan 0.000 0.523 93 K N -0.119 120.248 120.400 -0.054 0.000 3.071 93 K HA -0.236 4.100 4.320 0.027 0.000 0.265 93 K C 0.776 177.337 176.600 -0.065 0.000 1.060 93 K CA 0.225 56.479 56.287 -0.054 0.000 0.767 93 K CB -1.136 31.341 32.500 -0.038 0.000 1.241 93 K HN 0.196 nan 8.250 nan 0.000 0.486 94 R N -0.184 120.265 120.500 -0.086 0.000 2.300 94 R HA 0.171 4.527 4.340 0.027 0.000 0.199 94 R C 0.564 176.801 176.300 -0.104 0.000 0.920 94 R CA 0.667 56.713 56.100 -0.089 0.000 1.046 94 R CB 0.620 30.855 30.300 -0.108 0.000 0.984 94 R HN 0.296 nan 8.270 nan 0.000 0.493 95 A N 1.001 123.752 122.820 -0.115 0.000 2.365 95 A HA 0.658 4.994 4.320 0.027 0.000 0.318 95 A C -0.730 176.751 177.584 -0.172 0.000 1.091 95 A CA -0.775 51.203 52.037 -0.098 0.000 0.763 95 A CB 1.231 20.227 19.000 -0.006 0.000 1.248 95 A HN -0.025 nan 8.150 nan 0.000 0.442 96 R N 0.912 121.231 120.500 -0.302 0.000 2.621 96 R HA 0.671 5.027 4.340 0.027 0.000 0.292 96 R C -1.226 174.731 176.300 -0.571 0.000 0.969 96 R CA -0.374 55.316 56.100 -0.683 0.000 0.887 96 R CB 1.862 31.271 30.300 -1.484 0.000 1.180 96 R HN 0.719 nan 8.270 nan 0.000 0.450 97 T N 1.179 115.508 114.554 -0.374 0.000 2.807 97 T HA 0.626 4.992 4.350 0.027 0.000 0.279 97 T C -0.588 174.257 174.700 0.241 0.000 0.993 97 T CA -0.572 61.518 62.100 -0.016 0.000 0.970 97 T CB 1.806 70.690 68.868 0.027 0.000 0.950 97 T HN 0.586 nan 8.240 nan 0.000 0.441 98 A N 3.149 126.215 122.820 0.410 0.000 2.288 98 A HA 0.554 4.890 4.320 0.027 0.000 0.320 98 A C 0.151 177.923 177.584 0.313 0.000 1.217 98 A CA -0.712 51.566 52.037 0.402 0.000 0.840 98 A CB 0.687 19.877 19.000 0.316 0.000 1.179 98 A HN 0.798 nan 8.150 nan 0.000 0.504 99 Q N 1.729 121.697 119.800 0.280 0.000 2.300 99 Q HA 0.344 4.700 4.340 0.027 0.000 0.280 99 Q C -0.027 176.042 176.000 0.115 0.000 1.033 99 Q CA 0.686 56.589 55.803 0.167 0.000 0.903 99 Q CB 0.423 29.048 28.738 -0.189 0.000 1.195 99 Q HN 0.833 nan 8.270 nan 0.000 0.386 100 T N 0.787 115.392 114.554 0.086 0.000 2.901 100 T HA 0.578 4.944 4.350 0.027 0.000 0.293 100 T C -2.728 171.906 174.700 -0.109 0.000 1.084 100 T CA -2.078 60.044 62.100 0.038 0.000 1.008 100 T CB 1.789 70.723 68.868 0.111 0.000 1.170 100 T HN 0.466 nan 8.240 nan 0.000 0.509 101 P HA 0.396 nan 4.420 nan 0.000 0.260 101 P C 0.778 178.013 177.300 -0.108 0.000 1.651 101 P CA 0.742 63.699 63.100 -0.240 0.000 1.139 101 P CB -0.442 31.011 31.700 -0.413 0.000 1.756 102 G N 2.989 111.760 108.800 -0.049 0.000 2.828 102 G HA2 -0.157 3.819 3.960 0.027 0.000 0.463 102 G HA3 -0.157 3.819 3.960 0.027 0.000 0.463 102 G C 0.956 175.850 174.900 -0.010 0.000 1.394 102 G CA -0.469 44.621 45.100 -0.016 0.000 0.862 102 G HN 0.454 nan 8.290 nan 0.000 0.540 103 G N -1.341 107.431 108.800 -0.047 0.000 2.422 103 G HA2 0.040 4.016 3.960 0.027 0.000 0.218 103 G HA3 0.040 4.016 3.960 0.027 0.000 0.218 103 G C 1.865 176.763 174.900 -0.004 0.000 1.146 103 G CA 2.420 47.483 45.100 -0.063 0.000 0.769 103 G HN 1.258 nan 8.290 nan 0.000 0.547 104 T N 0.977 115.546 114.554 0.026 0.000 2.708 104 T HA -0.040 4.326 4.350 0.027 0.000 0.266 104 T C 2.518 177.265 174.700 0.078 0.000 1.037 104 T CA 1.418 63.593 62.100 0.124 0.000 1.146 104 T CB -0.591 68.390 68.868 0.188 0.000 0.865 104 T HN 0.346 nan 8.240 nan 0.000 0.435 105 G N 1.056 109.881 108.800 0.042 0.000 2.422 105 G HA2 -0.056 3.920 3.960 0.027 0.000 0.218 105 G HA3 -0.056 3.920 3.960 0.027 0.000 0.218 105 G C 1.802 176.765 174.900 0.106 0.000 1.146 105 G CA 0.910 46.038 45.100 0.047 0.000 0.769 105 G HN 0.584 nan 8.290 nan 0.000 0.547 106 A N 0.468 123.345 122.820 0.096 0.000 1.930 106 A HA 0.136 4.472 4.320 0.027 0.000 0.217 106 A C 2.416 180.093 177.584 0.154 0.000 1.175 106 A CA 1.158 53.274 52.037 0.132 0.000 0.627 106 A CB -0.344 18.725 19.000 0.115 0.000 0.815 106 A HN 0.356 nan 8.150 nan 0.000 0.443 107 L N -1.147 120.157 121.223 0.135 0.000 2.093 107 L HA -0.153 4.203 4.340 0.027 0.000 0.208 107 L C 2.739 179.681 176.870 0.119 0.000 1.085 107 L CA 1.527 56.458 54.840 0.151 0.000 0.755 107 L CB -0.375 41.736 42.059 0.087 0.000 0.904 107 L HN 0.362 nan 8.230 nan 0.000 0.435 108 R N 0.276 120.824 120.500 0.080 0.000 2.073 108 R HA -0.116 4.240 4.340 0.027 0.000 0.234 108 R C 2.038 178.429 176.300 0.151 0.000 1.134 108 R CA 1.765 57.915 56.100 0.084 0.000 0.952 108 R CB -1.014 29.333 30.300 0.078 0.000 0.850 108 R HN 0.100 nan 8.270 nan 0.000 0.433 109 V N 1.096 121.116 119.914 0.176 0.000 2.332 109 V HA -0.230 3.906 4.120 0.027 0.000 0.248 109 V C 2.399 178.633 176.094 0.234 0.000 1.055 109 V CA 1.994 64.405 62.300 0.185 0.000 1.038 109 V CB -1.052 30.879 31.823 0.181 0.000 0.651 109 V HN 0.550 nan 8.190 nan 0.000 0.450 110 A N -0.029 122.943 122.820 0.254 0.000 1.877 110 A HA -0.152 4.184 4.320 0.027 0.000 0.216 110 A C 2.444 180.255 177.584 0.379 0.000 1.186 110 A CA 2.251 54.490 52.037 0.336 0.000 0.620 110 A CB -0.877 18.320 19.000 0.329 0.000 0.822 110 A HN 0.581 nan 8.150 nan 0.000 0.443 111 A N -0.146 122.882 122.820 0.346 0.000 1.877 111 A HA -0.195 4.141 4.320 0.027 0.000 0.216 111 A C 1.806 179.524 177.584 0.223 0.000 1.186 111 A CA 1.957 54.197 52.037 0.338 0.000 0.620 111 A CB -0.609 18.618 19.000 0.377 0.000 0.822 111 A HN 0.466 nan 8.150 nan 0.000 0.443 112 D N -1.194 119.324 120.400 0.197 0.000 2.144 112 D HA -0.106 4.550 4.640 0.027 0.000 0.200 112 D C 1.614 178.004 176.300 0.150 0.000 0.978 112 D CA 1.188 55.273 54.000 0.141 0.000 0.833 112 D CB -0.450 40.422 40.800 0.119 0.000 0.961 112 D HN 0.467 nan 8.370 nan 0.000 0.470 113 F N 1.536 121.531 119.950 0.076 0.000 2.095 113 F HA -0.166 4.377 4.527 0.028 0.000 0.298 113 F C 2.050 177.898 175.800 0.079 0.000 1.104 113 F CA 1.300 59.342 58.000 0.069 0.000 1.232 113 F CB -0.448 38.604 39.000 0.087 0.000 0.987 113 F HN -0.116 nan 8.300 nan 0.000 0.475 114 L N -0.025 121.149 121.223 -0.081 0.000 2.056 114 L HA -0.137 4.219 4.340 0.027 0.000 0.207 114 L C 2.838 179.622 176.870 -0.143 0.000 1.078 114 L CA 1.118 55.840 54.840 -0.196 0.000 0.749 114 L CB -1.220 40.865 42.059 0.044 0.000 0.901 114 L HN 0.273 nan 8.230 nan 0.000 0.433 115 A N -0.326 122.471 122.820 -0.038 0.000 1.933 115 A HA -0.160 4.176 4.320 0.027 0.000 0.218 115 A C 2.254 179.806 177.584 -0.054 0.000 1.175 115 A CA 1.431 53.455 52.037 -0.022 0.000 0.628 115 A CB -0.190 18.825 19.000 0.024 0.000 0.814 115 A HN 0.191 nan 8.150 nan 0.000 0.444 116 K N -0.386 119.969 120.400 -0.075 0.000 2.314 116 K HA 0.099 4.435 4.320 0.027 0.000 0.198 116 K C 0.550 177.084 176.600 -0.109 0.000 1.045 116 K CA 0.578 56.826 56.287 -0.066 0.000 0.988 116 K CB -0.030 32.451 32.500 -0.031 0.000 0.783 116 K HN 0.516 nan 8.250 nan 0.000 0.484 117 N N 0.549 119.116 118.700 -0.222 0.000 2.159 117 N HA -0.002 4.754 4.740 0.027 0.000 0.217 117 N C 0.324 175.701 175.510 -0.221 0.000 1.223 117 N CA 0.236 53.139 53.050 -0.245 0.000 0.896 117 N CB 1.477 39.732 38.487 -0.387 0.000 1.064 117 N HN 0.223 nan 8.380 nan 0.000 0.518 118 T N -2.462 111.973 114.554 -0.198 0.000 2.804 118 T HA 0.259 4.625 4.350 0.027 0.000 0.290 118 T C 0.849 175.515 174.700 -0.057 0.000 1.099 118 T CA -0.525 61.506 62.100 -0.115 0.000 1.011 118 T CB 1.486 70.283 68.868 -0.118 0.000 1.291 118 T HN -0.080 nan 8.240 nan 0.000 0.523 119 S N -0.443 115.247 115.700 -0.017 0.000 2.631 119 S HA 0.209 4.695 4.470 0.027 0.000 0.217 119 S C 0.656 175.263 174.600 0.011 0.000 0.958 119 S CA -0.466 57.736 58.200 0.002 0.000 0.920 119 S CB -0.689 62.524 63.200 0.020 0.000 0.776 119 S HN 0.659 nan 8.310 nan 0.000 0.517 120 V N 2.445 122.362 119.914 0.005 0.000 2.599 120 V HA 0.100 4.236 4.120 0.027 0.000 0.300 120 V C 0.972 177.068 176.094 0.004 0.000 1.034 120 V CA 0.564 62.874 62.300 0.017 0.000 1.115 120 V CB 0.713 32.545 31.823 0.014 0.000 0.934 120 V HN 0.491 nan 8.190 nan 0.000 0.485 121 K N 3.365 123.769 120.400 0.007 0.000 2.425 121 K HA 0.313 4.649 4.320 0.027 0.000 0.201 121 K C 0.667 177.240 176.600 -0.044 0.000 1.128 121 K CA -0.159 56.121 56.287 -0.011 0.000 1.000 121 K CB 0.949 33.448 32.500 -0.002 0.000 0.961 121 K HN 0.504 nan 8.250 nan 0.000 0.555 122 R N 1.011 121.477 120.500 -0.057 0.000 2.673 122 R HA 0.412 4.768 4.340 0.027 0.000 0.281 122 R C -1.738 174.452 176.300 -0.182 0.000 0.991 122 R CA -0.516 55.495 56.100 -0.148 0.000 0.896 122 R CB 2.114 32.339 30.300 -0.126 0.000 1.201 122 R HN -0.185 nan 8.270 nan 0.000 0.457 123 V N 3.478 123.189 119.914 -0.338 0.000 2.540 123 V HA 0.444 4.581 4.120 0.027 0.000 0.302 123 V C -1.067 174.775 176.094 -0.421 0.000 1.035 123 V CA -0.772 61.288 62.300 -0.400 0.000 0.873 123 V CB 1.594 32.926 31.823 -0.818 0.000 0.992 123 V HN 0.705 nan 8.190 nan 0.000 0.428 124 W N 4.604 125.740 121.300 -0.274 0.000 2.338 124 W HA 0.655 5.331 4.660 0.026 0.000 0.307 124 W C -0.041 176.414 176.519 -0.107 0.000 1.167 124 W CA -0.497 56.753 57.345 -0.159 0.000 1.208 124 W CB 1.643 30.977 29.460 -0.210 0.000 1.228 124 W HN 0.533 nan 8.180 nan 0.000 0.499 125 V N 0.914 120.844 119.914 0.026 0.000 2.914 125 V HA 0.723 4.859 4.120 0.027 0.000 0.314 125 V C 0.162 175.910 176.094 -0.576 0.000 1.084 125 V CA -1.349 60.851 62.300 -0.167 0.000 0.963 125 V CB 1.208 32.969 31.823 -0.103 0.000 1.025 125 V HN 0.509 nan 8.190 nan 0.000 0.432 126 S N 2.040 117.212 115.700 -0.880 0.000 2.576 126 S HA 0.304 4.790 4.470 0.027 0.000 0.276 126 S C -0.038 174.313 174.600 -0.416 0.000 1.339 126 S CA -0.199 57.338 58.200 -1.105 0.000 1.039 126 S CB 0.426 63.068 63.200 -0.930 0.000 0.902 126 S HN 1.149 nan 8.310 nan 0.000 0.516 127 N N 2.959 121.512 118.700 -0.244 0.000 2.457 127 N HA 0.480 5.237 4.740 0.027 0.000 0.250 127 N C -2.596 172.962 175.510 0.079 0.000 0.982 127 N CA -2.015 51.012 53.050 -0.038 0.000 0.941 127 N CB 0.956 39.454 38.487 0.019 0.000 1.120 127 N HN 0.440 nan 8.380 nan 0.000 0.505 128 P HA 0.350 nan 4.420 nan 0.000 0.280 128 P C -0.711 176.591 177.300 0.004 0.000 1.272 128 P CA -0.450 62.694 63.100 0.073 0.000 0.819 128 P CB 1.720 33.522 31.700 0.171 0.000 1.122 129 S N -1.039 114.675 115.700 0.023 0.000 2.840 129 S HA 0.476 4.962 4.470 0.027 0.000 0.307 129 S C -1.749 172.932 174.600 0.136 0.000 1.180 129 S CA -0.682 57.570 58.200 0.087 0.000 0.846 129 S CB 0.068 63.442 63.200 0.289 0.000 1.233 129 S HN 0.446 nan 8.310 nan 0.000 0.548 130 W N 3.220 124.495 121.300 -0.043 0.000 2.308 130 W HA 0.379 5.055 4.660 0.027 0.000 0.324 130 W C -2.293 174.122 176.519 -0.173 0.000 1.387 130 W CA -1.600 55.618 57.345 -0.212 0.000 1.250 130 W CB 0.401 29.605 29.460 -0.426 0.000 1.257 130 W HN 0.489 nan 8.180 nan 0.000 0.554 131 P HA -0.183 nan 4.420 nan 0.000 0.225 131 P C 1.138 178.091 177.300 -0.577 0.000 1.148 131 P CA 1.501 64.381 63.100 -0.368 0.000 0.779 131 P CB 0.281 31.808 31.700 -0.289 0.000 0.780 132 N N -1.385 116.588 118.700 -1.213 0.000 2.494 132 N HA -0.095 4.661 4.740 0.027 0.000 0.182 132 N C 1.439 176.477 175.510 -0.787 0.000 1.076 132 N CA 0.618 52.949 53.050 -1.198 0.000 0.908 132 N CB -0.550 36.794 38.487 -1.904 0.000 0.967 132 N HN 0.275 nan 8.380 nan 0.000 0.449 133 H N -0.259 118.537 119.070 -0.457 0.000 2.319 133 H HA -0.102 4.470 4.556 0.027 0.000 0.299 133 H C 1.962 177.199 175.328 -0.152 0.000 1.092 133 H CA 1.561 57.510 56.048 -0.166 0.000 1.302 133 H CB 0.187 30.049 29.762 0.167 0.000 1.373 133 H HN 0.156 nan 8.280 nan 0.000 0.497 134 K N 0.544 120.974 120.400 0.051 0.000 2.063 134 K HA -0.151 4.185 4.320 0.027 0.000 0.208 134 K C 2.274 178.851 176.600 -0.038 0.000 1.048 134 K CA 1.653 57.969 56.287 0.048 0.000 0.928 134 K CB 0.049 32.543 32.500 -0.011 0.000 0.713 134 K HN 0.132 nan 8.250 nan 0.000 0.442 135 S N 0.411 116.023 115.700 -0.146 0.000 2.356 135 S HA -0.122 4.364 4.470 0.027 0.000 0.223 135 S C 1.986 176.493 174.600 -0.155 0.000 1.032 135 S CA 1.381 59.490 58.200 -0.151 0.000 1.005 135 S CB -0.227 62.848 63.200 -0.208 0.000 0.867 135 S HN 0.133 nan 8.310 nan 0.000 0.449 136 V N 1.254 121.011 119.914 -0.262 0.000 2.261 136 V HA -0.156 3.980 4.120 0.027 0.000 0.246 136 V C 2.018 177.969 176.094 -0.237 0.000 1.047 136 V CA 1.767 63.886 62.300 -0.301 0.000 1.015 136 V CB -0.869 30.673 31.823 -0.469 0.000 0.642 136 V HN 0.381 nan 8.190 nan 0.000 0.446 137 F N 0.805 120.769 119.950 0.023 0.000 2.146 137 F HA -0.087 4.456 4.527 0.028 0.000 0.298 137 F C 2.233 178.027 175.800 -0.010 0.000 1.096 137 F CA 1.451 59.459 58.000 0.013 0.000 1.275 137 F CB -1.216 37.782 39.000 -0.003 0.000 1.008 137 F HN 0.206 nan 8.300 nan 0.000 0.480 138 N N -0.453 118.324 118.700 0.128 0.000 2.223 138 N HA -0.160 4.596 4.740 0.027 0.000 0.185 138 N C 1.801 177.330 175.510 0.032 0.000 1.016 138 N CA 1.164 54.247 53.050 0.055 0.000 0.863 138 N CB -0.204 38.290 38.487 0.012 0.000 0.983 138 N HN 0.115 nan 8.380 nan 0.000 0.429 139 S N 0.334 116.041 115.700 0.012 0.000 2.423 139 S HA -0.030 4.456 4.470 0.027 0.000 0.231 139 S C 1.774 176.391 174.600 0.027 0.000 1.014 139 S CA 0.714 58.917 58.200 0.004 0.000 0.965 139 S CB 0.014 63.203 63.200 -0.018 0.000 0.785 139 S HN 0.428 nan 8.310 nan 0.000 0.495 140 A N 0.201 123.055 122.820 0.057 0.000 2.251 140 A HA 0.519 4.855 4.320 0.027 0.000 0.209 140 A C 1.540 179.159 177.584 0.059 0.000 1.187 140 A CA 0.638 52.717 52.037 0.071 0.000 0.823 140 A CB -0.620 18.450 19.000 0.117 0.000 0.846 140 A HN 0.792 nan 8.150 nan 0.000 0.486 141 G N -1.210 107.618 108.800 0.048 0.000 2.141 141 G HA2 -0.190 3.787 3.960 0.027 0.000 0.242 141 G HA3 -0.190 3.787 3.960 0.027 0.000 0.242 141 G C -0.038 174.879 174.900 0.028 0.000 0.982 141 G CA 0.247 45.364 45.100 0.029 0.000 0.662 141 G HN 0.430 nan 8.290 nan 0.000 0.527 142 L N 0.628 121.883 121.223 0.053 0.000 2.307 142 L HA 0.514 4.870 4.340 0.027 0.000 0.282 142 L C 0.688 177.558 176.870 0.001 0.000 1.051 142 L CA -0.920 53.937 54.840 0.027 0.000 0.804 142 L CB 1.178 43.270 42.059 0.054 0.000 1.197 142 L HN 0.181 nan 8.230 nan 0.000 0.431 143 E N 1.591 121.756 120.200 -0.057 0.000 2.366 143 E HA 0.303 4.669 4.350 0.027 0.000 0.266 143 E C -1.000 175.498 176.600 -0.169 0.000 1.051 143 E CA -0.436 55.903 56.400 -0.102 0.000 0.884 143 E CB 1.723 31.343 29.700 -0.134 0.000 1.006 143 E HN 0.204 nan 8.360 nan 0.000 0.417 144 V N 3.763 123.574 119.914 -0.172 0.000 2.495 144 V HA 0.383 4.519 4.120 0.027 0.000 0.298 144 V C -0.059 175.824 176.094 -0.351 0.000 1.031 144 V CA -0.814 61.346 62.300 -0.234 0.000 0.871 144 V CB 1.371 33.150 31.823 -0.074 0.000 0.988 144 V HN 0.555 nan 8.190 nan 0.000 0.432 145 R N 2.658 122.796 120.500 -0.603 0.000 2.803 145 R HA 0.631 4.988 4.340 0.027 0.000 0.276 145 R C -0.649 175.367 176.300 -0.474 0.000 0.978 145 R CA -0.756 54.897 56.100 -0.746 0.000 0.939 145 R CB 2.220 31.592 30.300 -1.546 0.000 1.179 145 R HN 0.722 nan 8.270 nan 0.000 0.472 146 E N 1.590 121.666 120.200 -0.206 0.000 2.191 146 E HA 0.295 4.661 4.350 0.027 0.000 0.274 146 E C -0.917 175.864 176.600 0.301 0.000 0.948 146 E CA -0.698 55.707 56.400 0.008 0.000 0.802 146 E CB 1.661 31.344 29.700 -0.028 0.000 1.137 146 E HN 0.430 nan 8.360 nan 0.000 0.397 147 Y N -0.249 120.184 120.300 0.223 0.000 2.446 147 Y HA 0.718 5.284 4.550 0.027 0.000 0.338 147 Y C -0.085 175.899 175.900 0.141 0.000 1.055 147 Y CA -1.496 56.716 58.100 0.187 0.000 1.101 147 Y CB 0.726 39.242 38.460 0.093 0.000 1.221 147 Y HN 0.480 nan 8.280 nan 0.000 0.460 148 A N 2.253 125.248 122.820 0.291 0.000 2.466 148 A HA 0.269 4.605 4.320 0.027 0.000 0.238 148 A C -0.603 177.171 177.584 0.318 0.000 1.074 148 A CA 0.392 52.560 52.037 0.218 0.000 0.774 148 A CB -0.137 18.945 19.000 0.137 0.000 1.015 148 A HN 1.068 nan 8.150 nan 0.000 0.498 149 Y N -0.281 120.074 120.300 0.091 0.000 2.855 149 Y HA 0.209 4.775 4.550 0.027 0.000 0.251 149 Y C -0.466 175.496 175.900 0.103 0.000 1.152 149 Y CA 0.089 58.233 58.100 0.073 0.000 1.201 149 Y CB 0.287 38.714 38.460 -0.055 0.000 1.392 149 Y HN 0.671 nan 8.280 nan 0.000 0.470 150 Y N 2.721 123.065 120.300 0.075 0.000 2.331 150 Y HA 0.456 5.022 4.550 0.027 0.000 0.338 150 Y C -0.982 174.910 175.900 -0.014 0.000 0.976 150 Y CA -1.670 56.453 58.100 0.039 0.000 1.137 150 Y CB 0.850 39.427 38.460 0.195 0.000 1.172 150 Y HN 0.095 nan 8.280 nan 0.000 0.478 151 D N 5.030 125.133 120.400 -0.495 0.000 2.443 151 D HA 0.303 4.959 4.640 0.027 0.000 0.221 151 D C 0.371 176.121 176.300 -0.916 0.000 1.097 151 D CA 0.032 53.719 54.000 -0.522 0.000 0.865 151 D CB 1.278 41.899 40.800 -0.299 0.000 1.034 151 D HN 0.747 nan 8.370 nan 0.000 0.511 152 A N 3.647 125.881 122.820 -0.977 0.000 2.209 152 A HA -0.067 4.269 4.320 0.027 0.000 0.212 152 A C 1.746 178.780 177.584 -0.918 0.000 1.158 152 A CA 0.755 52.152 52.037 -1.066 0.000 0.742 152 A CB -0.218 18.453 19.000 -0.547 0.000 0.790 152 A HN 0.671 nan 8.150 nan 0.000 0.472 153 E N -0.015 119.827 120.200 -0.597 0.000 2.102 153 E HA -0.064 4.302 4.350 0.027 0.000 0.190 153 E C 1.144 177.534 176.600 -0.349 0.000 0.971 153 E CA 0.947 57.100 56.400 -0.411 0.000 0.821 153 E CB -0.041 29.518 29.700 -0.234 0.000 0.777 153 E HN 0.702 nan 8.360 nan 0.000 0.460 154 N N -0.681 117.830 118.700 -0.315 0.000 2.280 154 N HA 0.054 4.811 4.740 0.027 0.000 0.192 154 N C -0.787 174.653 175.510 -0.117 0.000 1.109 154 N CA 0.181 53.141 53.050 -0.150 0.000 0.855 154 N CB 0.305 38.731 38.487 -0.100 0.000 0.974 154 N HN 0.175 nan 8.380 nan 0.000 0.482 155 H N -0.750 118.122 119.070 -0.329 0.000 2.713 155 H HA -0.170 4.402 4.556 0.027 0.000 0.311 155 H C -0.263 175.036 175.328 -0.048 0.000 1.175 155 H CA 1.011 56.873 56.048 -0.311 0.000 1.143 155 H CB -2.053 27.239 29.762 -0.783 0.000 1.434 155 H HN 0.341 nan 8.280 nan 0.000 0.418 156 T N -3.362 111.151 114.554 -0.068 0.000 2.831 156 T HA 0.545 4.911 4.350 0.027 0.000 0.287 156 T C -0.128 174.533 174.700 -0.067 0.000 1.070 156 T CA -1.333 60.762 62.100 -0.009 0.000 1.010 156 T CB 1.912 70.758 68.868 -0.037 0.000 1.264 156 T HN 0.145 nan 8.240 nan 0.000 0.532 157 L N 2.157 123.313 121.223 -0.111 0.000 2.361 157 L HA 0.364 4.720 4.340 0.027 0.000 0.278 157 L C -0.052 176.729 176.870 -0.148 0.000 1.113 157 L CA 0.080 54.770 54.840 -0.249 0.000 0.849 157 L CB 0.041 41.931 42.059 -0.282 0.000 1.155 157 L HN 0.732 nan 8.230 nan 0.000 0.452 158 D N 4.203 124.509 120.400 -0.157 0.000 2.517 158 D HA -0.055 4.601 4.640 0.027 0.000 0.220 158 D C 0.896 177.187 176.300 -0.016 0.000 1.158 158 D CA 0.049 54.005 54.000 -0.073 0.000 0.992 158 D CB -0.042 40.712 40.800 -0.077 0.000 1.058 158 D HN 0.556 nan 8.370 nan 0.000 0.516 159 F N 2.208 122.084 119.950 -0.124 0.000 2.146 159 F HA -0.146 4.397 4.527 0.027 0.000 0.298 159 F C 1.653 177.429 175.800 -0.040 0.000 1.096 159 F CA 1.187 59.131 58.000 -0.093 0.000 1.275 159 F CB 0.323 39.270 39.000 -0.088 0.000 1.008 159 F HN 0.220 nan 8.300 nan 0.000 0.480 160 D N 0.259 120.668 120.400 0.015 0.000 2.117 160 D HA -0.156 4.501 4.640 0.027 0.000 0.197 160 D C 2.379 178.626 176.300 -0.088 0.000 0.987 160 D CA 1.454 55.422 54.000 -0.052 0.000 0.829 160 D CB -0.676 40.127 40.800 0.006 0.000 0.961 160 D HN 0.357 nan 8.370 nan 0.000 0.460 161 A N 0.981 123.768 122.820 -0.055 0.000 1.902 161 A HA -0.110 4.226 4.320 0.027 0.000 0.217 161 A C 2.277 179.840 177.584 -0.034 0.000 1.181 161 A CA 0.859 52.877 52.037 -0.031 0.000 0.623 161 A CB -0.812 18.186 19.000 -0.004 0.000 0.818 161 A HN 0.278 nan 8.150 nan 0.000 0.443 162 L N -0.302 120.880 121.223 -0.068 0.000 1.989 162 L HA -0.190 4.166 4.340 0.027 0.000 0.211 162 L C 2.271 179.036 176.870 -0.175 0.000 1.071 162 L CA 1.646 56.457 54.840 -0.049 0.000 0.749 162 L CB -0.248 41.756 42.059 -0.091 0.000 0.890 162 L HN 0.318 nan 8.230 nan 0.000 0.431 163 I N 0.281 120.668 120.570 -0.304 0.000 2.226 163 I HA -0.297 3.889 4.170 0.027 0.000 0.245 163 I C 2.285 178.327 176.117 -0.124 0.000 1.100 163 I CA 1.741 62.897 61.300 -0.241 0.000 1.374 163 I CB -1.710 36.103 38.000 -0.312 0.000 1.057 163 I HN 0.482 nan 8.210 nan 0.000 0.413 164 N N 1.313 119.953 118.700 -0.100 0.000 2.069 164 N HA -0.207 4.549 4.740 0.027 0.000 0.191 164 N C 2.029 177.510 175.510 -0.049 0.000 1.031 164 N CA 2.342 55.360 53.050 -0.054 0.000 0.852 164 N CB -0.036 38.433 38.487 -0.031 0.000 1.018 164 N HN 0.374 nan 8.380 nan 0.000 0.423 165 S N -0.042 115.635 115.700 -0.038 0.000 2.383 165 S HA -0.077 4.409 4.470 0.027 0.000 0.227 165 S C 1.997 176.478 174.600 -0.198 0.000 1.026 165 S CA 0.812 59.004 58.200 -0.014 0.000 0.981 165 S CB -0.693 62.571 63.200 0.107 0.000 0.818 165 S HN 0.355 nan 8.310 nan 0.000 0.472 166 L N 1.368 122.409 121.223 -0.302 0.000 2.465 166 L HA 0.093 4.449 4.340 0.027 0.000 0.224 166 L C 1.801 178.475 176.870 -0.328 0.000 1.145 166 L CA 0.463 54.941 54.840 -0.603 0.000 0.834 166 L CB -0.700 40.940 42.059 -0.698 0.000 0.944 166 L HN 0.278 nan 8.230 nan 0.000 0.451 167 N N -0.112 118.509 118.700 -0.132 0.000 2.443 167 N HA -0.154 4.602 4.740 0.027 0.000 0.184 167 N C 1.582 177.048 175.510 -0.074 0.000 1.037 167 N CA 0.681 53.709 53.050 -0.037 0.000 0.896 167 N CB 0.069 38.551 38.487 -0.009 0.000 0.959 167 N HN 0.222 nan 8.380 nan 0.000 0.442 168 E N 0.049 120.146 120.200 -0.172 0.000 2.427 168 E HA 0.083 4.449 4.350 0.027 0.000 0.196 168 E C 0.217 176.743 176.600 -0.123 0.000 1.028 168 E CA 0.013 56.372 56.400 -0.068 0.000 0.864 168 E CB -0.032 29.724 29.700 0.093 0.000 0.813 168 E HN 0.286 nan 8.360 nan 0.000 0.514 169 A N 1.763 124.247 122.820 -0.559 0.000 2.488 169 A HA 0.101 4.437 4.320 0.027 0.000 0.249 169 A C 0.312 177.911 177.584 0.026 0.000 1.083 169 A CA -0.026 51.670 52.037 -0.569 0.000 0.768 169 A CB 0.216 18.344 19.000 -1.453 0.000 1.017 169 A HN 0.028 nan 8.150 nan 0.000 0.496 170 Q N 0.878 120.781 119.800 0.173 0.000 2.256 170 Q HA 0.528 4.884 4.340 0.027 0.000 0.232 170 Q C 0.398 176.550 176.000 0.254 0.000 0.965 170 Q CA -0.419 55.500 55.803 0.194 0.000 0.908 170 Q CB 1.240 30.079 28.738 0.169 0.000 1.209 170 Q HN 0.920 nan 8.270 nan 0.000 0.489 171 A N 0.550 123.488 122.820 0.197 0.000 2.546 171 A HA 0.362 4.698 4.320 0.027 0.000 0.243 171 A C 1.120 178.814 177.584 0.183 0.000 1.063 171 A CA 0.904 53.051 52.037 0.184 0.000 0.757 171 A CB -0.861 18.198 19.000 0.099 0.000 0.991 171 A HN 0.982 nan 8.150 nan 0.000 0.503 172 G N 2.190 111.118 108.800 0.212 0.000 2.195 172 G HA2 -0.188 3.788 3.960 0.027 0.000 0.246 172 G HA3 -0.188 3.788 3.960 0.027 0.000 0.246 172 G C -0.056 174.953 174.900 0.182 0.000 0.984 172 G CA 0.308 45.513 45.100 0.175 0.000 0.633 172 G HN 0.823 nan 8.290 nan 0.000 0.525 173 D N 0.121 120.658 120.400 0.229 0.000 2.339 173 D HA 0.495 5.151 4.640 0.027 0.000 0.245 173 D C 0.724 177.140 176.300 0.192 0.000 1.115 173 D CA -0.131 53.999 54.000 0.216 0.000 0.917 173 D CB 1.684 42.673 40.800 0.315 0.000 1.192 173 D HN 0.144 nan 8.370 nan 0.000 0.428 174 V N 1.585 121.573 119.914 0.123 0.000 2.509 174 V HA 0.283 4.419 4.120 0.027 0.000 0.284 174 V C 0.182 176.276 176.094 0.000 0.000 1.047 174 V CA -0.583 61.755 62.300 0.065 0.000 0.952 174 V CB 1.733 33.531 31.823 -0.042 0.000 0.988 174 V HN 0.214 nan 8.190 nan 0.000 0.469 175 V N 5.979 125.851 119.914 -0.071 0.000 2.409 175 V HA 0.424 4.560 4.120 0.027 0.000 0.291 175 V C -0.254 175.562 176.094 -0.463 0.000 1.020 175 V CA -0.527 61.569 62.300 -0.340 0.000 0.848 175 V CB 1.663 33.090 31.823 -0.660 0.000 0.990 175 V HN 0.713 nan 8.190 nan 0.000 0.430 176 L N 5.542 126.503 121.223 -0.438 0.000 2.276 176 L HA 0.633 4.989 4.340 0.027 0.000 0.286 176 L C -1.292 175.259 176.870 -0.530 0.000 1.061 176 L CA 0.063 54.676 54.840 -0.378 0.000 0.807 176 L CB 0.614 42.513 42.059 -0.266 0.000 1.177 176 L HN 0.505 nan 8.230 nan 0.000 0.429 177 F N 2.875 122.682 119.950 -0.238 0.000 2.507 177 F HA 0.407 4.950 4.527 0.026 0.000 0.325 177 F C 0.193 175.938 175.800 -0.092 0.000 1.116 177 F CA -0.633 57.247 58.000 -0.201 0.000 0.930 177 F CB 1.199 39.747 39.000 -0.754 0.000 1.146 177 F HN 0.399 nan 8.300 nan 0.000 0.447 178 H N 1.854 121.023 119.070 0.164 0.000 2.767 178 H HA 0.116 4.689 4.556 0.027 0.000 0.316 178 H C 1.022 176.436 175.328 0.142 0.000 1.059 178 H CA 0.143 56.262 56.048 0.119 0.000 1.461 178 H CB 1.433 31.293 29.762 0.164 0.000 1.475 178 H HN 0.992 nan 8.280 nan 0.000 0.531 179 G N 2.888 111.552 108.800 -0.227 0.000 2.408 179 G HA2 -0.124 3.852 3.960 0.027 0.000 0.217 179 G HA3 -0.124 3.852 3.960 0.027 0.000 0.217 179 G C 0.521 175.410 174.900 -0.019 0.000 1.150 179 G CA 1.050 45.714 45.100 -0.725 0.000 0.776 179 G HN 0.772 nan 8.290 nan 0.000 0.542 180 C N -4.989 114.398 119.300 0.146 0.000 3.306 180 C HA 0.523 4.999 4.460 0.027 0.000 0.335 180 C C 0.415 175.611 174.990 0.343 0.000 1.382 180 C CA -0.943 58.294 59.018 0.366 0.000 1.254 180 C CB 0.717 28.695 27.740 0.397 0.000 1.555 180 C HN 0.832 nan 8.230 nan 0.000 0.463 181 C N 1.536 121.008 119.300 0.286 0.000 3.727 181 C HA -0.144 4.333 4.460 0.027 0.000 0.293 181 C C 0.480 175.555 174.990 0.142 0.000 1.339 181 C CA 1.207 60.310 59.018 0.142 0.000 2.150 181 C CB -3.513 24.213 27.740 -0.023 0.000 1.383 181 C HN 1.451 nan 8.230 nan 0.000 0.614 182 H N 1.449 120.596 119.070 0.128 0.000 3.140 182 H HA 0.230 4.802 4.556 0.027 0.000 0.316 182 H C 0.471 175.804 175.328 0.007 0.000 0.986 182 H CA 1.540 57.612 56.048 0.041 0.000 1.397 182 H CB 0.495 30.202 29.762 -0.091 0.000 1.377 182 H HN 0.613 nan 8.280 nan 0.000 0.585 183 N N 6.035 124.527 118.700 -0.347 0.000 2.446 183 N HA 0.198 4.954 4.740 0.027 0.000 0.265 183 N C -2.387 172.843 175.510 -0.466 0.000 0.975 183 N CA -2.441 50.476 53.050 -0.221 0.000 0.928 183 N CB 1.706 40.195 38.487 0.004 0.000 1.160 183 N HN 0.458 nan 8.380 nan 0.000 0.495 184 P HA 0.133 nan 4.420 nan 0.000 0.275 184 P C 0.653 177.676 177.300 -0.463 0.000 1.310 184 P CA 0.271 63.106 63.100 -0.443 0.000 0.904 184 P CB 0.368 31.767 31.700 -0.502 0.000 1.381 185 T N -4.791 109.590 114.554 -0.288 0.000 3.054 185 T HA 0.220 4.586 4.350 0.027 0.000 0.259 185 T C 1.702 176.392 174.700 -0.017 0.000 1.092 185 T CA 1.031 62.919 62.100 -0.354 0.000 1.121 185 T CB -1.159 67.562 68.868 -0.245 0.000 0.912 185 T HN 0.143 nan 8.240 nan 0.000 0.489 186 G N 1.472 110.331 108.800 0.099 0.000 2.166 186 G HA2 -0.232 3.744 3.960 0.027 0.000 0.260 186 G HA3 -0.232 3.744 3.960 0.027 0.000 0.260 186 G C 0.031 175.035 174.900 0.174 0.000 0.986 186 G CA 0.389 45.568 45.100 0.131 0.000 0.683 186 G HN 0.677 nan 8.290 nan 0.000 0.527 187 I N 1.462 122.149 120.570 0.195 0.000 2.312 187 I HA 0.369 4.555 4.170 0.027 0.000 0.290 187 I C -0.709 175.518 176.117 0.184 0.000 1.008 187 I CA -0.740 60.661 61.300 0.168 0.000 1.226 187 I CB 1.211 39.295 38.000 0.140 0.000 1.371 187 I HN -0.079 nan 8.210 nan 0.000 0.468 188 D N 7.786 128.275 120.400 0.148 0.000 2.269 188 D HA 0.416 5.072 4.640 0.027 0.000 0.244 188 D C -2.406 173.865 176.300 -0.049 0.000 0.992 188 D CA -1.525 52.564 54.000 0.149 0.000 0.894 188 D CB 1.561 42.523 40.800 0.269 0.000 1.248 188 D HN 0.135 nan 8.370 nan 0.000 0.468 189 P HA 0.053 nan 4.420 nan 0.000 0.267 189 P C 0.146 177.266 177.300 -0.301 0.000 1.200 189 P CA -0.098 62.681 63.100 -0.536 0.000 0.772 189 P CB 0.265 31.182 31.700 -1.304 0.000 0.855 190 T N 0.109 114.547 114.554 -0.194 0.000 2.748 190 T HA 0.031 4.397 4.350 0.027 0.000 0.304 190 T C 1.156 175.926 174.700 0.118 0.000 1.041 190 T CA -0.542 61.548 62.100 -0.016 0.000 1.033 190 T CB 0.192 69.026 68.868 -0.057 0.000 0.995 190 T HN 0.180 nan 8.240 nan 0.000 0.536 191 L N 0.749 122.109 121.223 0.227 0.000 2.042 191 L HA -0.046 4.310 4.340 0.027 0.000 0.210 191 L C 2.599 179.603 176.870 0.222 0.000 1.076 191 L CA 1.888 56.916 54.840 0.314 0.000 0.749 191 L CB -1.167 41.015 42.059 0.205 0.000 0.893 191 L HN 0.875 nan 8.230 nan 0.000 0.432 192 E N -1.082 119.171 120.200 0.089 0.000 2.110 192 E HA -0.262 4.105 4.350 0.027 0.000 0.193 192 E C 2.164 178.759 176.600 -0.008 0.000 0.988 192 E CA 1.389 57.810 56.400 0.035 0.000 0.804 192 E CB -0.143 29.544 29.700 -0.021 0.000 0.745 192 E HN 0.660 nan 8.360 nan 0.000 0.458 193 Q N -0.363 119.353 119.800 -0.139 0.000 2.084 193 Q HA -0.168 4.188 4.340 0.027 0.000 0.202 193 Q C 1.844 177.898 176.000 0.089 0.000 0.978 193 Q CA 1.347 56.964 55.803 -0.310 0.000 0.844 193 Q CB -0.193 28.133 28.738 -0.686 0.000 0.898 193 Q HN 0.425 nan 8.270 nan 0.000 0.426 194 W N 1.200 122.587 121.300 0.146 0.000 2.342 194 W HA -0.213 4.463 4.660 0.027 0.000 0.297 194 W C 2.323 178.972 176.519 0.216 0.000 1.213 194 W CA 0.769 58.277 57.345 0.271 0.000 1.251 194 W CB 0.057 29.684 29.460 0.277 0.000 1.136 194 W HN 0.250 nan 8.180 nan 0.000 0.526 195 Q N -0.783 119.232 119.800 0.357 0.000 2.119 195 Q HA -0.149 4.207 4.340 0.027 0.000 0.201 195 Q C 2.056 178.123 176.000 0.112 0.000 0.972 195 Q CA 1.935 57.843 55.803 0.175 0.000 0.847 195 Q CB -0.524 28.284 28.738 0.117 0.000 0.903 195 Q HN 0.185 nan 8.270 nan 0.000 0.433 196 T N 1.310 115.960 114.554 0.160 0.000 2.746 196 T HA -0.096 4.270 4.350 0.027 0.000 0.267 196 T C 1.828 176.646 174.700 0.197 0.000 1.039 196 T CA 0.880 63.085 62.100 0.175 0.000 1.142 196 T CB -0.157 68.873 68.868 0.270 0.000 0.866 196 T HN 0.166 nan 8.240 nan 0.000 0.444 197 L N 0.718 122.135 121.223 0.324 0.000 2.093 197 L HA -0.055 4.301 4.340 0.027 0.000 0.208 197 L C 3.022 179.915 176.870 0.038 0.000 1.085 197 L CA 1.092 56.147 54.840 0.358 0.000 0.755 197 L CB -0.652 41.764 42.059 0.594 0.000 0.904 197 L HN 0.229 nan 8.230 nan 0.000 0.435 198 A N -0.308 122.307 122.820 -0.342 0.000 1.902 198 A HA -0.294 4.042 4.320 0.027 0.000 0.217 198 A C 2.228 179.575 177.584 -0.395 0.000 1.181 198 A CA 2.033 53.514 52.037 -0.928 0.000 0.623 198 A CB -0.516 18.061 19.000 -0.705 0.000 0.818 198 A HN 0.409 nan 8.150 nan 0.000 0.443 199 Q N -0.905 118.762 119.800 -0.223 0.000 2.123 199 Q HA -0.068 4.288 4.340 0.027 0.000 0.199 199 Q C 1.845 177.715 176.000 -0.217 0.000 0.966 199 Q CA 1.454 57.141 55.803 -0.193 0.000 0.845 199 Q CB -0.417 28.252 28.738 -0.114 0.000 0.907 199 Q HN 0.485 nan 8.270 nan 0.000 0.439 200 L N -0.057 121.056 121.223 -0.184 0.000 2.046 200 L HA -0.127 4.229 4.340 0.027 0.000 0.208 200 L C 2.314 178.807 176.870 -0.629 0.000 1.077 200 L CA 2.307 56.967 54.840 -0.300 0.000 0.747 200 L CB -1.186 40.774 42.059 -0.165 0.000 0.896 200 L HN 0.326 nan 8.230 nan 0.000 0.432 201 S N -1.541 113.869 115.700 -0.484 0.000 2.368 201 S HA -0.154 4.332 4.470 0.027 0.000 0.225 201 S C 1.980 176.402 174.600 -0.297 0.000 1.030 201 S CA 1.522 59.460 58.200 -0.436 0.000 0.999 201 S CB -0.375 63.117 63.200 0.486 0.000 0.844 201 S HN 0.305 nan 8.310 nan 0.000 0.459 202 V N 2.067 121.793 119.914 -0.312 0.000 2.358 202 V HA -0.073 4.063 4.120 0.027 0.000 0.246 202 V C 2.651 178.573 176.094 -0.288 0.000 1.047 202 V CA 1.850 63.936 62.300 -0.357 0.000 1.035 202 V CB -0.678 30.882 31.823 -0.439 0.000 0.658 202 V HN 0.434 nan 8.190 nan 0.000 0.452 203 E N 0.091 120.100 120.200 -0.318 0.000 2.106 203 E HA -0.132 4.234 4.350 0.027 0.000 0.192 203 E C 2.061 178.490 176.600 -0.286 0.000 0.984 203 E CA 0.885 57.129 56.400 -0.259 0.000 0.806 203 E CB -0.234 29.326 29.700 -0.233 0.000 0.750 203 E HN 0.447 nan 8.360 nan 0.000 0.458 204 K N -0.691 119.416 120.400 -0.488 0.000 2.393 204 K HA 0.153 4.489 4.320 0.027 0.000 0.193 204 K C 0.875 177.278 176.600 -0.329 0.000 1.026 204 K CA 0.603 56.593 56.287 -0.496 0.000 1.064 204 K CB 0.678 32.638 32.500 -0.900 0.000 0.833 204 K HN 0.225 nan 8.250 nan 0.000 0.521 205 G N 1.811 110.457 108.800 -0.256 0.000 2.198 205 G HA2 -0.176 3.800 3.960 0.027 0.000 0.257 205 G HA3 -0.176 3.800 3.960 0.027 0.000 0.257 205 G C -0.404 174.609 174.900 0.188 0.000 1.042 205 G CA -0.183 44.910 45.100 -0.011 0.000 0.791 205 G HN 0.080 nan 8.290 nan 0.000 0.502 206 W N -0.948 120.445 121.300 0.154 0.000 2.202 206 W HA 0.657 5.333 4.660 0.027 0.000 0.332 206 W C 0.355 177.016 176.519 0.238 0.000 1.263 206 W CA -1.691 55.758 57.345 0.173 0.000 1.223 206 W CB 0.441 30.012 29.460 0.185 0.000 1.128 206 W HN 0.193 nan 8.180 nan 0.000 0.573 207 L N 5.680 127.167 121.223 0.439 0.000 2.255 207 L HA 0.447 4.803 4.340 0.027 0.000 0.289 207 L C -2.337 174.740 176.870 0.345 0.000 1.046 207 L CA -2.123 52.926 54.840 0.347 0.000 0.816 207 L CB 0.455 42.669 42.059 0.258 0.000 1.197 207 L HN 0.001 nan 8.230 nan 0.000 0.427 208 P HA 0.241 nan 4.420 nan 0.000 0.276 208 P C -1.430 176.065 177.300 0.326 0.000 1.230 208 P CA -0.328 63.019 63.100 0.413 0.000 0.776 208 P CB 1.045 33.029 31.700 0.475 0.000 0.888 209 L N 4.935 126.291 121.223 0.222 0.000 2.372 209 L HA 0.538 4.894 4.340 0.027 0.000 0.273 209 L C -1.595 175.369 176.870 0.157 0.000 0.989 209 L CA -0.672 54.299 54.840 0.219 0.000 0.841 209 L CB 0.092 42.230 42.059 0.131 0.000 1.225 209 L HN 0.108 nan 8.230 nan 0.000 0.414 210 F N 3.327 123.377 119.950 0.168 0.000 2.404 210 F HA 0.382 4.925 4.527 0.026 0.000 0.345 210 F C 0.524 176.396 175.800 0.119 0.000 1.110 210 F CA -0.162 57.918 58.000 0.134 0.000 1.130 210 F CB 1.166 40.257 39.000 0.152 0.000 1.129 210 F HN 0.462 nan 8.300 nan 0.000 0.500 211 D N 4.193 124.663 120.400 0.116 0.000 2.392 211 D HA 0.193 4.849 4.640 0.027 0.000 0.228 211 D C -1.334 174.951 176.300 -0.024 0.000 1.074 211 D CA -0.190 53.846 54.000 0.061 0.000 0.838 211 D CB 0.357 41.138 40.800 -0.032 0.000 1.067 211 D HN 0.320 nan 8.370 nan 0.000 0.511 212 F N 2.666 122.642 119.950 0.043 0.000 2.453 212 F HA 0.398 4.941 4.527 0.027 0.000 0.358 212 F C 0.949 176.678 175.800 -0.119 0.000 1.129 212 F CA -0.532 57.482 58.000 0.024 0.000 1.200 212 F CB 1.484 40.477 39.000 -0.012 0.000 1.431 212 F HN 0.542 nan 8.300 nan 0.000 0.503 213 A N 1.737 124.515 122.820 -0.070 0.000 2.267 213 A HA 0.141 4.477 4.320 0.027 0.000 0.213 213 A C 0.110 177.309 177.584 -0.641 0.000 1.192 213 A CA 0.507 52.267 52.037 -0.463 0.000 0.851 213 A CB -0.231 18.291 19.000 -0.797 0.000 0.881 213 A HN 0.653 nan 8.150 nan 0.000 0.494 214 Y N -0.394 120.022 120.300 0.193 0.000 2.721 214 Y HA 0.281 4.848 4.550 0.028 0.000 0.251 214 Y C 0.530 176.694 175.900 0.440 0.000 1.136 214 Y CA -0.811 57.472 58.100 0.305 0.000 1.142 214 Y CB -0.057 38.498 38.460 0.158 0.000 1.212 214 Y HN 0.360 nan 8.280 nan 0.000 0.565 215 Q N 0.912 120.967 119.800 0.424 0.000 2.274 215 Q HA 0.335 4.691 4.340 0.027 0.000 0.280 215 Q C 1.181 177.304 176.000 0.204 0.000 1.047 215 Q CA 1.580 57.578 55.803 0.324 0.000 0.907 215 Q CB 0.332 29.149 28.738 0.132 0.000 1.171 215 Q HN 0.783 nan 8.270 nan 0.000 0.381 216 G N 3.287 112.159 108.800 0.120 0.000 2.213 216 G HA2 -0.265 3.711 3.960 0.027 0.000 0.226 216 G HA3 -0.265 3.711 3.960 0.027 0.000 0.226 216 G C 0.180 174.970 174.900 -0.183 0.000 0.992 216 G CA 0.089 45.127 45.100 -0.103 0.000 0.632 216 G HN 0.656 nan 8.290 nan 0.000 0.511 217 F N 1.385 121.383 119.950 0.080 0.000 2.776 217 F HA 0.579 5.121 4.527 0.025 0.000 0.300 217 F C 2.447 178.280 175.800 0.055 0.000 1.116 217 F CA 1.300 59.333 58.000 0.056 0.000 1.375 217 F CB 0.292 39.356 39.000 0.107 0.000 1.109 217 F HN 0.370 nan 8.300 nan 0.000 0.585 218 A N 0.276 123.238 122.820 0.236 0.000 1.896 218 A HA 0.162 4.498 4.320 0.027 0.000 0.213 218 A C 2.077 179.731 177.584 0.116 0.000 1.306 218 A CA 0.712 52.859 52.037 0.182 0.000 0.626 218 A CB -0.040 19.088 19.000 0.214 0.000 0.994 218 A HN 0.222 nan 8.150 nan 0.000 0.475 219 R N -2.200 118.358 120.500 0.098 0.000 2.470 219 R HA 0.393 4.750 4.340 0.027 0.000 0.210 219 R C 0.415 176.720 176.300 0.007 0.000 0.873 219 R CA 0.621 56.754 56.100 0.054 0.000 1.015 219 R CB 1.270 31.613 30.300 0.072 0.000 1.348 219 R HN 0.617 nan 8.270 nan 0.000 0.650 220 G N -0.639 108.164 108.800 0.004 0.000 2.325 220 G HA2 0.133 4.109 3.960 0.027 0.000 0.297 220 G HA3 0.133 4.109 3.960 0.027 0.000 0.297 220 G C -0.073 174.808 174.900 -0.031 0.000 1.448 220 G CA -0.889 44.181 45.100 -0.050 0.000 0.838 220 G HN -0.043 nan 8.290 nan 0.000 0.579 221 L N -0.004 121.177 121.223 -0.071 0.000 1.989 221 L HA -0.057 4.300 4.340 0.027 0.000 0.211 221 L C 2.787 179.643 176.870 -0.024 0.000 1.071 221 L CA 1.465 56.281 54.840 -0.040 0.000 0.749 221 L CB -0.191 41.843 42.059 -0.042 0.000 0.890 221 L HN 0.573 nan 8.230 nan 0.000 0.431 222 E N 0.042 120.227 120.200 -0.025 0.000 2.072 222 E HA -0.182 4.184 4.350 0.027 0.000 0.190 222 E C 2.082 178.686 176.600 0.007 0.000 0.982 222 E CA 0.947 57.335 56.400 -0.021 0.000 0.803 222 E CB -0.093 29.597 29.700 -0.017 0.000 0.755 222 E HN 0.542 nan 8.360 nan 0.000 0.453 223 E N 0.821 121.037 120.200 0.026 0.000 2.110 223 E HA -0.171 4.195 4.350 0.027 0.000 0.193 223 E C 1.413 178.077 176.600 0.107 0.000 0.988 223 E CA 1.112 57.550 56.400 0.062 0.000 0.804 223 E CB 0.025 29.763 29.700 0.064 0.000 0.745 223 E HN 0.143 nan 8.360 nan 0.000 0.458 224 D N -0.249 120.224 120.400 0.120 0.000 2.312 224 D HA -0.038 4.618 4.640 0.027 0.000 0.211 224 D C 1.238 177.696 176.300 0.262 0.000 0.964 224 D CA 0.709 54.842 54.000 0.222 0.000 0.877 224 D CB 0.100 41.050 40.800 0.250 0.000 0.924 224 D HN 0.152 nan 8.370 nan 0.000 0.515 225 A N 0.209 123.083 122.820 0.089 0.000 2.275 225 A HA 0.045 4.381 4.320 0.027 0.000 0.212 225 A C 1.740 179.302 177.584 -0.036 0.000 1.201 225 A CA 0.010 52.035 52.037 -0.019 0.000 0.843 225 A CB -0.087 18.779 19.000 -0.223 0.000 0.873 225 A HN 0.071 nan 8.150 nan 0.000 0.492 226 E N 0.060 120.261 120.200 0.003 0.000 2.110 226 E HA -0.145 4.221 4.350 0.027 0.000 0.193 226 E C 2.069 178.587 176.600 -0.136 0.000 0.988 226 E CA 0.935 57.324 56.400 -0.019 0.000 0.804 226 E CB -0.215 29.517 29.700 0.054 0.000 0.745 226 E HN 0.605 nan 8.360 nan 0.000 0.458 227 G N 1.691 110.247 108.800 -0.407 0.000 2.433 227 G HA2 -0.261 3.715 3.960 0.027 0.000 0.216 227 G HA3 -0.261 3.715 3.960 0.027 0.000 0.216 227 G C 1.572 176.062 174.900 -0.683 0.000 1.186 227 G CA 0.670 45.096 45.100 -1.124 0.000 0.779 227 G HN 0.179 nan 8.290 nan 0.000 0.543 228 L N 0.696 121.531 121.223 -0.646 0.000 2.042 228 L HA -0.019 4.337 4.340 0.027 0.000 0.210 228 L C 2.781 179.463 176.870 -0.313 0.000 1.076 228 L CA 1.823 56.165 54.840 -0.830 0.000 0.749 228 L CB -0.494 41.280 42.059 -0.474 0.000 0.893 228 L HN 0.155 nan 8.230 nan 0.000 0.432 229 R N -0.692 119.722 120.500 -0.143 0.000 2.115 229 R HA 0.002 4.358 4.340 0.027 0.000 0.226 229 R C 2.249 178.564 176.300 0.024 0.000 1.100 229 R CA 0.976 57.072 56.100 -0.008 0.000 0.980 229 R CB -0.513 29.788 30.300 0.002 0.000 0.875 229 R HN 0.539 nan 8.270 nan 0.000 0.445 230 A N 0.636 123.476 122.820 0.033 0.000 1.898 230 A HA -0.138 4.198 4.320 0.027 0.000 0.216 230 A C 1.788 179.452 177.584 0.135 0.000 1.181 230 A CA 1.077 53.168 52.037 0.091 0.000 0.620 230 A CB -0.494 18.594 19.000 0.147 0.000 0.819 230 A HN 0.168 nan 8.150 nan 0.000 0.442 231 F N 0.245 120.197 119.950 0.004 0.000 2.134 231 F HA -0.095 4.448 4.527 0.027 0.000 0.299 231 F C 2.784 178.676 175.800 0.153 0.000 1.097 231 F CA 1.064 59.141 58.000 0.128 0.000 1.264 231 F CB -0.554 38.471 39.000 0.043 0.000 1.001 231 F HN 0.253 nan 8.300 nan 0.000 0.479 232 A N -0.363 122.568 122.820 0.185 0.000 2.019 232 A HA -0.013 4.323 4.320 0.027 0.000 0.219 232 A C 2.317 179.929 177.584 0.047 0.000 1.164 232 A CA 1.476 53.562 52.037 0.082 0.000 0.644 232 A CB -1.189 17.799 19.000 -0.020 0.000 0.805 232 A HN 0.293 nan 8.150 nan 0.000 0.449 233 A N -1.543 121.304 122.820 0.045 0.000 2.066 233 A HA 0.060 4.396 4.320 0.027 0.000 0.218 233 A C 1.965 179.546 177.584 -0.006 0.000 1.157 233 A CA 1.546 53.586 52.037 0.004 0.000 0.670 233 A CB -0.258 18.743 19.000 0.002 0.000 0.804 233 A HN 0.418 nan 8.150 nan 0.000 0.453 234 M N -0.988 118.622 119.600 0.017 0.000 2.491 234 M HA 0.198 4.695 4.480 0.027 0.000 0.259 234 M C 0.005 176.203 176.300 -0.170 0.000 1.163 234 M CA 0.550 55.791 55.300 -0.097 0.000 1.109 234 M CB -0.379 32.109 32.600 -0.185 0.000 1.353 234 M HN 0.334 nan 8.290 nan 0.000 0.500 235 H N 0.355 119.426 119.070 0.002 0.000 2.472 235 H HA 0.288 4.860 4.556 0.027 0.000 0.338 235 H C 0.407 175.753 175.328 0.031 0.000 1.133 235 H CA -0.239 55.836 56.048 0.045 0.000 1.216 235 H CB 2.112 31.960 29.762 0.144 0.000 1.497 235 H HN 0.015 nan 8.280 nan 0.000 0.500 236 K N 1.255 121.737 120.400 0.136 0.000 2.103 236 K HA -0.031 4.305 4.320 0.027 0.000 0.204 236 K C -0.052 176.624 176.600 0.126 0.000 1.052 236 K CA 1.117 57.461 56.287 0.094 0.000 0.945 236 K CB 0.365 32.907 32.500 0.069 0.000 0.722 236 K HN 0.589 nan 8.250 nan 0.000 0.443 237 E N 0.326 120.649 120.200 0.205 0.000 2.272 237 E HA 0.424 4.790 4.350 0.027 0.000 0.269 237 E C -1.333 175.405 176.600 0.230 0.000 0.877 237 E CA -0.731 55.788 56.400 0.197 0.000 0.755 237 E CB 1.932 31.754 29.700 0.204 0.000 1.192 237 E HN -0.039 nan 8.360 nan 0.000 0.422 238 L N -0.991 120.356 121.223 0.206 0.000 2.838 238 L HA 0.654 5.010 4.340 0.027 0.000 0.266 238 L C -1.571 175.446 176.870 0.245 0.000 1.040 238 L CA -0.813 54.170 54.840 0.238 0.000 0.906 238 L CB 1.016 43.218 42.059 0.239 0.000 1.501 238 L HN 0.521 nan 8.230 nan 0.000 0.407 239 I N 0.720 121.459 120.570 0.282 0.000 2.608 239 I HA 0.742 4.928 4.170 0.027 0.000 0.295 239 I C -1.076 175.224 176.117 0.305 0.000 1.049 239 I CA -1.145 60.314 61.300 0.265 0.000 1.063 239 I CB 2.375 40.533 38.000 0.264 0.000 1.248 239 I HN 0.413 nan 8.210 nan 0.000 0.424 240 V N 4.278 124.349 119.914 0.262 0.000 2.487 240 V HA 0.649 4.785 4.120 0.027 0.000 0.298 240 V C -0.018 176.198 176.094 0.203 0.000 1.028 240 V CA -0.629 61.833 62.300 0.270 0.000 0.860 240 V CB 1.659 33.586 31.823 0.173 0.000 0.991 240 V HN 0.808 nan 8.190 nan 0.000 0.427 241 A N 3.779 126.730 122.820 0.218 0.000 2.273 241 A HA 0.787 5.123 4.320 0.027 0.000 0.320 241 A C 0.233 177.880 177.584 0.105 0.000 1.358 241 A CA -0.325 51.803 52.037 0.152 0.000 0.910 241 A CB 0.608 19.710 19.000 0.170 0.000 1.159 241 A HN 1.009 nan 8.150 nan 0.000 0.526 242 S N 1.461 117.172 115.700 0.017 0.000 2.621 242 S HA 0.846 5.332 4.470 0.027 0.000 0.302 242 S C -0.164 174.312 174.600 -0.207 0.000 1.093 242 S CA -0.520 57.625 58.200 -0.091 0.000 1.017 242 S CB 1.782 64.855 63.200 -0.211 0.000 1.077 242 S HN 1.108 nan 8.310 nan 0.000 0.517 243 S N 0.162 115.675 115.700 -0.312 0.000 2.538 243 S HA 0.579 5.065 4.470 0.027 0.000 0.288 243 S C -1.343 173.023 174.600 -0.390 0.000 1.108 243 S CA -0.621 57.405 58.200 -0.291 0.000 0.971 243 S CB 0.703 63.755 63.200 -0.248 0.000 1.041 243 S HN 0.681 nan 8.310 nan 0.000 0.483 244 Y N 2.205 122.504 120.300 -0.003 0.000 2.555 244 Y HA 0.353 4.922 4.550 0.030 0.000 0.259 244 Y C 1.613 177.516 175.900 0.005 0.000 1.179 244 Y CA -0.145 57.989 58.100 0.058 0.000 1.230 244 Y CB -0.023 38.399 38.460 -0.064 0.000 1.146 244 Y HN 0.636 nan 8.280 nan 0.000 0.526 248 F N 1.408 121.496 119.950 0.230 0.000 2.682 248 F HA 0.574 5.115 4.527 0.022 0.000 0.308 248 F C 1.608 177.430 175.800 0.038 0.000 1.093 248 F CA 0.286 58.378 58.000 0.154 0.000 1.244 248 F CB 0.808 39.781 39.000 -0.045 0.000 1.052 248 F HN 0.231 nan 8.300 nan 0.000 0.573 249 G N 1.456 110.284 108.800 0.047 0.000 2.305 249 G HA2 -0.309 3.667 3.960 0.027 0.000 0.287 249 G HA3 -0.309 3.667 3.960 0.027 0.000 0.287 249 G C 0.523 175.383 174.900 -0.066 0.000 1.036 249 G CA 0.367 45.419 45.100 -0.082 0.000 0.887 249 G HN 0.437 nan 8.290 nan 0.000 0.505 250 L N -0.599 120.531 121.223 -0.155 0.000 3.017 250 L HA 0.281 4.637 4.340 0.027 0.000 0.255 250 L C 2.144 179.023 176.870 0.015 0.000 1.247 250 L CA -0.782 54.060 54.840 0.003 0.000 1.038 250 L CB -0.245 41.824 42.059 0.017 0.000 1.380 250 L HN 0.326 nan 8.230 nan 0.000 0.548 251 Y N 0.984 121.351 120.300 0.111 0.000 2.003 251 Y HA -0.426 4.139 4.550 0.024 0.000 0.261 251 Y C 2.478 178.412 175.900 0.056 0.000 1.211 251 Y CA 2.200 60.346 58.100 0.078 0.000 1.098 251 Y CB -0.787 37.722 38.460 0.080 0.000 0.925 251 Y HN 0.544 nan 8.280 nan 0.000 0.498 252 N N -0.198 118.649 118.700 0.245 0.000 2.521 252 N HA -0.100 4.656 4.740 0.027 0.000 0.188 252 N C 0.770 176.332 175.510 0.087 0.000 1.146 252 N CA 0.992 54.124 53.050 0.138 0.000 0.893 252 N CB -0.362 38.193 38.487 0.114 0.000 0.975 252 N HN 0.424 nan 8.380 nan 0.000 0.451 253 E N 0.531 120.782 120.200 0.085 0.000 2.447 253 E HA 0.054 4.420 4.350 0.027 0.000 0.195 253 E C -0.245 176.359 176.600 0.006 0.000 1.028 253 E CA -0.023 56.409 56.400 0.054 0.000 0.876 253 E CB 0.109 29.856 29.700 0.078 0.000 0.885 253 E HN 0.170 nan 8.360 nan 0.000 0.500 254 R N -0.222 120.284 120.500 0.010 0.000 2.983 254 R HA -0.108 4.248 4.340 0.027 0.000 0.272 254 R C -0.908 175.363 176.300 -0.048 0.000 0.926 254 R CA 0.186 56.273 56.100 -0.021 0.000 0.667 254 R CB -3.032 27.236 30.300 -0.053 0.000 1.540 254 R HN -0.077 nan 8.270 nan 0.000 0.467 255 V N 0.655 120.567 119.914 -0.003 0.000 2.349 255 V HA 0.854 4.990 4.120 0.027 0.000 0.284 255 V C 1.050 177.255 176.094 0.185 0.000 1.014 255 V CA 0.052 62.377 62.300 0.042 0.000 0.826 255 V CB 1.975 33.814 31.823 0.027 0.000 1.009 255 V HN 0.726 nan 8.190 nan 0.000 0.431 256 G N 2.833 111.750 108.800 0.195 0.000 2.749 256 G HA2 0.922 4.899 3.960 0.027 0.000 0.300 256 G HA3 0.922 4.899 3.960 0.027 0.000 0.300 256 G C -1.443 173.640 174.900 0.306 0.000 1.352 256 G CA -0.206 45.002 45.100 0.181 0.000 0.789 256 G HN 1.098 nan 8.290 nan 0.000 0.509 257 A N -1.594 121.335 122.820 0.182 0.000 2.520 257 A HA 0.611 4.947 4.320 0.027 0.000 0.298 257 A C -1.178 176.492 177.584 0.144 0.000 1.051 257 A CA -0.368 51.807 52.037 0.230 0.000 0.690 257 A CB 1.407 20.522 19.000 0.191 0.000 1.281 257 A HN 1.701 nan 8.150 nan 0.000 0.402 258 C N 2.104 121.513 119.300 0.181 0.000 2.271 258 C HA 0.782 5.258 4.460 0.027 0.000 0.323 258 C C 0.052 175.145 174.990 0.172 0.000 1.245 258 C CA 0.063 59.183 59.018 0.170 0.000 1.548 258 C CB -0.478 27.370 27.740 0.181 0.000 2.214 258 C HN 0.794 nan 8.230 nan 0.000 0.477 259 T N 6.760 121.394 114.554 0.133 0.000 2.758 259 T HA 0.460 4.826 4.350 0.027 0.000 0.285 259 T C -0.600 174.178 174.700 0.129 0.000 0.981 259 T CA -0.219 61.947 62.100 0.111 0.000 0.965 259 T CB 1.084 70.007 68.868 0.093 0.000 0.927 259 T HN 0.609 nan 8.240 nan 0.000 0.448 260 L N 5.442 126.706 121.223 0.068 0.000 2.295 260 L HA 0.735 5.091 4.340 0.027 0.000 0.285 260 L C -0.977 175.916 176.870 0.039 0.000 1.035 260 L CA -0.401 54.474 54.840 0.058 0.000 0.806 260 L CB 1.200 43.268 42.059 0.016 0.000 1.214 260 L HN 0.418 nan 8.230 nan 0.000 0.426 261 V N 4.964 124.924 119.914 0.077 0.000 2.540 261 V HA 0.952 5.088 4.120 0.027 0.000 0.302 261 V C 0.022 176.152 176.094 0.061 0.000 1.035 261 V CA -0.057 62.259 62.300 0.027 0.000 0.873 261 V CB 1.149 32.971 31.823 -0.001 0.000 0.992 261 V HN 1.046 nan 8.190 nan 0.000 0.428 262 A N 3.068 125.907 122.820 0.032 0.000 2.475 262 A HA 0.919 5.255 4.320 0.027 0.000 0.281 262 A C 1.036 178.638 177.584 0.031 0.000 1.263 262 A CA 0.093 52.167 52.037 0.061 0.000 0.776 262 A CB 1.140 20.189 19.000 0.081 0.000 1.347 262 A HN 1.174 nan 8.150 nan 0.000 0.443 263 A N -0.647 122.198 122.820 0.042 0.000 1.972 263 A HA 0.291 4.627 4.320 0.027 0.000 0.219 263 A C 0.501 178.087 177.584 0.004 0.000 1.169 263 A CA 2.312 54.363 52.037 0.023 0.000 0.635 263 A CB -0.720 18.298 19.000 0.030 0.000 0.810 263 A HN 1.090 nan 8.150 nan 0.000 0.446 264 D N -4.902 115.502 120.400 0.007 0.000 2.665 264 D HA 0.376 5.032 4.640 0.027 0.000 0.287 264 D C 0.376 176.676 176.300 0.000 0.000 1.266 264 D CA 0.083 54.081 54.000 -0.002 0.000 0.830 264 D CB 0.258 41.061 40.800 0.004 0.000 1.356 264 D HN -0.176 nan 8.370 nan 0.000 0.437 265 S N -0.615 115.081 115.700 -0.006 0.000 2.368 265 S HA -0.185 4.301 4.470 0.027 0.000 0.225 265 S C 1.441 176.049 174.600 0.013 0.000 1.030 265 S CA 1.156 59.353 58.200 -0.006 0.000 0.999 265 S CB -0.343 62.851 63.200 -0.009 0.000 0.844 265 S HN 0.628 nan 8.310 nan 0.000 0.459 266 E N 1.426 121.638 120.200 0.020 0.000 2.077 266 E HA -0.147 4.219 4.350 0.027 0.000 0.193 266 E C 1.895 178.523 176.600 0.047 0.000 0.989 266 E CA 1.505 57.924 56.400 0.032 0.000 0.800 266 E CB -0.414 29.303 29.700 0.028 0.000 0.746 266 E HN 0.474 nan 8.360 nan 0.000 0.452 267 T N 0.636 115.218 114.554 0.047 0.000 2.812 267 T HA -0.085 4.281 4.350 0.027 0.000 0.264 267 T C 1.912 176.664 174.700 0.086 0.000 1.042 267 T CA 1.131 63.272 62.100 0.068 0.000 1.140 267 T CB -0.290 68.617 68.868 0.065 0.000 0.870 267 T HN 0.050 nan 8.240 nan 0.000 0.445 268 V N 1.813 121.763 119.914 0.061 0.000 2.427 268 V HA -0.145 3.991 4.120 0.027 0.000 0.248 268 V C 1.943 178.093 176.094 0.093 0.000 1.051 268 V CA 1.878 64.215 62.300 0.061 0.000 1.048 268 V CB -0.466 31.354 31.823 -0.005 0.000 0.666 268 V HN 0.354 nan 8.190 nan 0.000 0.456 269 D N -0.291 120.155 120.400 0.078 0.000 2.117 269 D HA -0.166 4.490 4.640 0.027 0.000 0.198 269 D C 2.240 178.634 176.300 0.156 0.000 0.982 269 D CA 1.498 55.568 54.000 0.117 0.000 0.828 269 D CB -0.282 40.564 40.800 0.076 0.000 0.967 269 D HN 0.433 nan 8.370 nan 0.000 0.464 270 R N 0.596 121.171 120.500 0.124 0.000 2.075 270 R HA -0.045 4.311 4.340 0.027 0.000 0.232 270 R C 2.061 178.461 176.300 0.166 0.000 1.126 270 R CA 1.428 57.602 56.100 0.123 0.000 0.963 270 R CB -0.129 30.230 30.300 0.098 0.000 0.858 270 R HN 0.095 nan 8.270 nan 0.000 0.435 271 A N 0.158 123.098 122.820 0.202 0.000 1.930 271 A HA -0.161 4.175 4.320 0.027 0.000 0.217 271 A C 1.950 179.690 177.584 0.260 0.000 1.175 271 A CA 1.065 53.280 52.037 0.298 0.000 0.627 271 A CB -0.716 18.488 19.000 0.339 0.000 0.815 271 A HN 0.508 nan 8.150 nan 0.000 0.443 272 F N 0.709 120.666 119.950 0.011 0.000 2.293 272 F HA -0.074 4.469 4.527 0.026 0.000 0.300 272 F C 2.610 178.405 175.800 -0.008 0.000 1.086 272 F CA 1.150 59.111 58.000 -0.065 0.000 1.375 272 F CB -0.376 38.597 39.000 -0.045 0.000 1.045 272 F HN 0.235 nan 8.300 nan 0.000 0.516 273 S N -0.427 115.324 115.700 0.084 0.000 2.387 273 S HA -0.221 4.265 4.470 0.027 0.000 0.230 273 S C 2.040 176.618 174.600 -0.037 0.000 1.035 273 S CA 1.511 59.707 58.200 -0.007 0.000 1.014 273 S CB -0.241 62.991 63.200 0.053 0.000 0.836 273 S HN 0.482 nan 8.310 nan 0.000 0.466 274 Q N 0.002 119.844 119.800 0.071 0.000 2.187 274 Q HA 0.047 4.403 4.340 0.027 0.000 0.199 274 Q C 2.103 178.187 176.000 0.140 0.000 0.957 274 Q CA 0.805 56.691 55.803 0.138 0.000 0.857 274 Q CB -0.386 28.508 28.738 0.260 0.000 0.929 274 Q HN 0.653 nan 8.270 nan 0.000 0.453 275 M N 0.807 120.400 119.600 -0.012 0.000 2.117 275 M HA -0.195 4.301 4.480 0.027 0.000 0.262 275 M C 1.853 177.977 176.300 -0.294 0.000 1.065 275 M CA 1.556 56.729 55.300 -0.211 0.000 1.114 275 M CB 0.074 32.353 32.600 -0.535 0.000 1.361 275 M HN -0.032 nan 8.290 nan 0.000 0.408 276 K N 0.129 120.248 120.400 -0.468 0.000 2.032 276 K HA -0.172 4.164 4.320 0.027 0.000 0.209 276 K C 1.995 178.469 176.600 -0.209 0.000 1.048 276 K CA 1.618 57.679 56.287 -0.377 0.000 0.927 276 K CB -0.380 31.899 32.500 -0.367 0.000 0.712 276 K HN 0.489 nan 8.250 nan 0.000 0.441 277 A N 1.381 124.122 122.820 -0.133 0.000 1.902 277 A HA -0.146 4.190 4.320 0.027 0.000 0.217 277 A C 2.345 179.881 177.584 -0.080 0.000 1.181 277 A CA 1.929 53.915 52.037 -0.083 0.000 0.623 277 A CB -0.655 18.325 19.000 -0.033 0.000 0.818 277 A HN 0.367 nan 8.150 nan 0.000 0.443 278 A N -0.295 122.497 122.820 -0.046 0.000 1.972 278 A HA -0.043 4.293 4.320 0.027 0.000 0.219 278 A C 2.095 179.612 177.584 -0.113 0.000 1.169 278 A CA 1.466 53.487 52.037 -0.026 0.000 0.635 278 A CB -0.544 18.497 19.000 0.068 0.000 0.810 278 A HN 0.508 nan 8.150 nan 0.000 0.446 279 I N -1.176 119.279 120.570 -0.193 0.000 2.202 279 I HA -0.221 3.965 4.170 0.027 0.000 0.242 279 I C 2.609 178.454 176.117 -0.455 0.000 1.091 279 I CA 1.509 62.569 61.300 -0.401 0.000 1.368 279 I CB -0.296 37.485 38.000 -0.365 0.000 1.058 279 I HN 0.360 nan 8.210 nan 0.000 0.410 280 R N 1.455 121.784 120.500 -0.285 0.000 2.113 280 R HA -0.231 4.125 4.340 0.027 0.000 0.244 280 R C 2.028 178.215 176.300 -0.188 0.000 1.142 280 R CA 2.062 58.029 56.100 -0.221 0.000 0.953 280 R CB -0.307 29.903 30.300 -0.151 0.000 0.860 280 R HN 0.387 nan 8.270 nan 0.000 0.438 281 A N -0.336 122.394 122.820 -0.151 0.000 2.238 281 A HA -0.006 4.330 4.320 0.027 0.000 0.208 281 A C 1.434 178.964 177.584 -0.089 0.000 1.177 281 A CA 0.681 52.660 52.037 -0.097 0.000 0.804 281 A CB -0.265 18.699 19.000 -0.060 0.000 0.823 281 A HN 0.462 nan 8.150 nan 0.000 0.482 282 N N -0.756 117.849 118.700 -0.157 0.000 2.804 282 N HA 0.034 4.791 4.740 0.027 0.000 0.233 282 N C 0.842 176.330 175.510 -0.036 0.000 1.020 282 N CA 1.580 54.579 53.050 -0.085 0.000 1.164 282 N CB 0.089 38.532 38.487 -0.073 0.000 1.571 282 N HN 0.452 nan 8.380 nan 0.000 0.551 283 Y N -1.639 118.658 120.300 -0.005 0.000 2.672 283 Y HA 0.591 5.158 4.550 0.028 0.000 0.252 283 Y C 1.096 176.990 175.900 -0.009 0.000 1.132 283 Y CA 0.263 58.362 58.100 -0.002 0.000 1.228 283 Y CB -0.004 38.459 38.460 0.006 0.000 1.310 283 Y HN 0.097 nan 8.280 nan 0.000 0.549 284 S N 1.026 116.558 115.700 -0.280 0.000 1.402 284 S HA -0.298 4.188 4.470 0.027 0.000 0.247 284 S C -0.170 174.334 174.600 -0.161 0.000 0.661 284 S CA 1.913 60.000 58.200 -0.188 0.000 1.198 284 S CB -1.791 61.349 63.200 -0.100 0.000 1.282 284 S HN 1.053 nan 8.310 nan 0.000 0.501 285 N N 0.877 119.607 118.700 0.049 0.000 2.859 285 N HA 0.673 5.430 4.740 0.027 0.000 0.250 285 N C -3.380 172.329 175.510 0.331 0.000 1.341 285 N CA -1.063 52.071 53.050 0.139 0.000 0.881 285 N CB 1.502 40.036 38.487 0.079 0.000 1.516 285 N HN 0.321 nan 8.380 nan 0.000 0.503 286 P HA 0.461 nan 4.420 nan 0.000 0.283 286 P C -2.754 174.555 177.300 0.016 0.000 1.271 286 P CA -1.529 61.650 63.100 0.131 0.000 0.841 286 P CB 0.447 32.187 31.700 0.067 0.000 1.122 287 P HA 0.121 nan 4.420 nan 0.000 0.276 287 P C 0.356 177.607 177.300 -0.081 0.000 1.243 287 P CA -0.008 63.061 63.100 -0.052 0.000 0.768 287 P CB 0.674 32.334 31.700 -0.067 0.000 0.856 288 A N 3.232 126.024 122.820 -0.046 0.000 1.930 288 A HA -0.191 4.145 4.320 0.027 0.000 0.215 288 A C 2.134 179.674 177.584 -0.074 0.000 1.176 288 A CA 1.480 53.472 52.037 -0.074 0.000 0.632 288 A CB -1.516 17.463 19.000 -0.036 0.000 0.819 288 A HN 0.653 nan 8.150 nan 0.000 0.445 289 H N -0.119 118.889 119.070 -0.103 0.000 2.265 289 H HA -0.090 4.466 4.556 -0.000 0.000 0.295 289 H C 2.198 177.457 175.328 -0.115 0.000 1.084 289 H CA 2.395 58.390 56.048 -0.089 0.000 1.261 289 H CB -0.569 29.155 29.762 -0.062 0.000 1.360 289 H HN 0.331 nan 8.280 nan 0.000 0.487 290 G N -0.395 108.336 108.800 -0.113 0.000 2.418 290 G HA2 -0.231 3.745 3.960 0.027 0.000 0.217 290 G HA3 -0.231 3.745 3.960 0.027 0.000 0.217 290 G C 1.890 176.599 174.900 -0.318 0.000 1.158 290 G CA 0.936 45.913 45.100 -0.205 0.000 0.771 290 G HN 0.630 nan 8.290 nan 0.000 0.545 291 A N 0.639 123.241 122.820 -0.364 0.000 1.930 291 A HA 0.064 4.400 4.320 0.027 0.000 0.217 291 A C 2.684 180.055 177.584 -0.355 0.000 1.175 291 A CA 2.107 53.815 52.037 -0.548 0.000 0.627 291 A CB -0.553 17.854 19.000 -0.988 0.000 0.815 291 A HN 0.295 nan 8.150 nan 0.000 0.443 292 S N -0.364 115.161 115.700 -0.291 0.000 2.359 292 S HA -0.156 4.330 4.470 0.027 0.000 0.224 292 S C 1.914 176.375 174.600 -0.231 0.000 1.035 292 S CA 1.503 59.580 58.200 -0.206 0.000 1.018 292 S CB -0.503 62.595 63.200 -0.171 0.000 0.876 292 S HN 0.357 nan 8.310 nan 0.000 0.448 293 V N 1.386 121.103 119.914 -0.329 0.000 2.287 293 V HA -0.168 3.968 4.120 0.027 0.000 0.248 293 V C 2.308 178.184 176.094 -0.363 0.000 1.053 293 V CA 1.590 63.703 62.300 -0.311 0.000 1.027 293 V CB -0.731 30.888 31.823 -0.340 0.000 0.646 293 V HN 0.337 nan 8.190 nan 0.000 0.447 294 V N 0.123 119.714 119.914 -0.538 0.000 2.295 294 V HA -0.263 3.873 4.120 0.027 0.000 0.246 294 V C 2.691 178.480 176.094 -0.509 0.000 1.049 294 V CA 2.095 63.874 62.300 -0.868 0.000 1.024 294 V CB -1.115 30.018 31.823 -1.149 0.000 0.648 294 V HN 0.572 nan 8.190 nan 0.000 0.447 295 A N -0.491 122.178 122.820 -0.252 0.000 1.933 295 A HA -0.231 4.105 4.320 0.027 0.000 0.218 295 A C 2.388 179.873 177.584 -0.164 0.000 1.175 295 A CA 2.510 54.453 52.037 -0.156 0.000 0.628 295 A CB -0.963 18.020 19.000 -0.028 0.000 0.814 295 A HN 0.510 nan 8.150 nan 0.000 0.444 296 T N 0.247 114.703 114.554 -0.164 0.000 2.746 296 T HA -0.095 4.271 4.350 0.027 0.000 0.267 296 T C 1.798 176.398 174.700 -0.168 0.000 1.039 296 T CA 1.568 63.574 62.100 -0.158 0.000 1.142 296 T CB -0.379 68.409 68.868 -0.133 0.000 0.866 296 T HN 0.432 nan 8.240 nan 0.000 0.444 297 I N 0.549 121.019 120.570 -0.167 0.000 2.163 297 I HA -0.095 4.091 4.170 0.027 0.000 0.240 297 I C 2.217 178.269 176.117 -0.108 0.000 1.081 297 I CA 1.202 62.438 61.300 -0.108 0.000 1.353 297 I CB -0.303 37.665 38.000 -0.054 0.000 1.054 297 I HN 0.174 nan 8.210 nan 0.000 0.407 298 L N 0.247 121.359 121.223 -0.185 0.000 2.201 298 L HA -0.131 4.225 4.340 0.027 0.000 0.212 298 L C 2.313 179.125 176.870 -0.096 0.000 1.105 298 L CA 1.298 56.048 54.840 -0.151 0.000 0.775 298 L CB -0.452 41.460 42.059 -0.245 0.000 0.913 298 L HN 0.358 nan 8.230 nan 0.000 0.440 299 S N -2.092 113.543 115.700 -0.108 0.000 2.577 299 S HA 0.029 4.515 4.470 0.027 0.000 0.219 299 S C 0.570 175.123 174.600 -0.077 0.000 0.962 299 S CA -0.519 57.631 58.200 -0.084 0.000 0.921 299 S CB -0.277 62.873 63.200 -0.084 0.000 0.789 299 S HN 0.371 nan 8.310 nan 0.000 0.497 300 N N 0.787 119.439 118.700 -0.079 0.000 2.354 300 N HA 0.187 4.943 4.740 0.027 0.000 0.287 300 N C -0.722 174.763 175.510 -0.041 0.000 1.016 300 N CA -0.253 52.749 53.050 -0.078 0.000 0.871 300 N CB 1.886 40.299 38.487 -0.124 0.000 1.299 300 N HN -0.116 nan 8.380 nan 0.000 0.482 301 D N 2.964 123.345 120.400 -0.033 0.000 2.123 301 D HA -0.116 4.540 4.640 0.027 0.000 0.196 301 D C 1.651 177.947 176.300 -0.007 0.000 0.992 301 D CA 1.323 55.314 54.000 -0.014 0.000 0.833 301 D CB -0.017 40.773 40.800 -0.017 0.000 0.954 301 D HN 0.698 nan 8.370 nan 0.000 0.455 302 A N 0.609 123.418 122.820 -0.018 0.000 1.855 302 A HA -0.080 4.256 4.320 0.027 0.000 0.215 302 A C 2.428 180.014 177.584 0.003 0.000 1.191 302 A CA 0.825 52.855 52.037 -0.012 0.000 0.613 302 A CB -0.835 18.153 19.000 -0.021 0.000 0.829 302 A HN 0.183 nan 8.150 nan 0.000 0.442 303 L N -1.156 120.063 121.223 -0.006 0.000 2.046 303 L HA -0.180 4.176 4.340 0.027 0.000 0.208 303 L C 2.817 179.741 176.870 0.090 0.000 1.077 303 L CA 1.692 56.545 54.840 0.023 0.000 0.747 303 L CB -0.473 41.575 42.059 -0.018 0.000 0.896 303 L HN 0.432 nan 8.230 nan 0.000 0.432 304 R N 0.091 120.643 120.500 0.086 0.000 2.091 304 R HA -0.200 4.156 4.340 0.027 0.000 0.238 304 R C 2.334 178.738 176.300 0.174 0.000 1.136 304 R CA 1.548 57.761 56.100 0.189 0.000 0.959 304 R CB -0.229 30.145 30.300 0.124 0.000 0.856 304 R HN 0.376 nan 8.270 nan 0.000 0.437 305 A N 0.624 123.484 122.820 0.067 0.000 1.898 305 A HA -0.115 4.221 4.320 0.027 0.000 0.216 305 A C 2.099 179.672 177.584 -0.019 0.000 1.181 305 A CA 1.226 53.266 52.037 0.005 0.000 0.620 305 A CB -0.401 18.594 19.000 -0.009 0.000 0.819 305 A HN 0.321 nan 8.150 nan 0.000 0.442 306 I N -2.286 118.295 120.570 0.017 0.000 2.179 306 I HA -0.261 3.925 4.170 0.027 0.000 0.242 306 I C 2.425 178.534 176.117 -0.014 0.000 1.088 306 I CA 1.644 62.945 61.300 0.001 0.000 1.357 306 I CB -0.371 37.647 38.000 0.029 0.000 1.051 306 I HN 0.734 nan 8.210 nan 0.000 0.409 307 W N 2.344 123.567 121.300 -0.129 0.000 2.358 307 W HA -0.195 4.481 4.660 0.027 0.000 0.303 307 W C 2.327 178.690 176.519 -0.260 0.000 1.208 307 W CA 1.532 58.748 57.345 -0.216 0.000 1.274 307 W CB -0.305 29.001 29.460 -0.258 0.000 1.138 307 W HN 0.063 nan 8.180 nan 0.000 0.515 308 E N -0.231 119.608 120.200 -0.601 0.000 2.110 308 E HA -0.325 4.041 4.350 0.027 0.000 0.193 308 E C 2.010 178.241 176.600 -0.615 0.000 0.988 308 E CA 1.624 57.503 56.400 -0.868 0.000 0.804 308 E CB -0.347 29.089 29.700 -0.441 0.000 0.745 308 E HN 0.250 nan 8.360 nan 0.000 0.458 309 Q N 1.263 120.839 119.800 -0.374 0.000 2.119 309 Q HA -0.172 4.184 4.340 0.027 0.000 0.201 309 Q C 1.556 177.371 176.000 -0.308 0.000 0.972 309 Q CA 1.559 57.193 55.803 -0.282 0.000 0.847 309 Q CB 0.029 28.666 28.738 -0.168 0.000 0.903 309 Q HN 0.271 nan 8.270 nan 0.000 0.433 310 E N -0.461 119.543 120.200 -0.328 0.000 2.085 310 E HA -0.200 4.166 4.350 0.027 0.000 0.194 310 E C 1.790 178.133 176.600 -0.429 0.000 0.994 310 E CA 1.187 57.409 56.400 -0.296 0.000 0.801 310 E CB -0.217 29.355 29.700 -0.214 0.000 0.743 310 E HN 0.279 nan 8.360 nan 0.000 0.453 311 L N 0.807 121.620 121.223 -0.684 0.000 2.056 311 L HA -0.130 4.226 4.340 0.027 0.000 0.207 311 L C 2.177 178.688 176.870 -0.598 0.000 1.078 311 L CA 1.911 56.291 54.840 -0.767 0.000 0.749 311 L CB -0.749 40.660 42.059 -1.083 0.000 0.901 311 L HN 0.016 nan 8.230 nan 0.000 0.433 312 T N -0.239 114.022 114.554 -0.488 0.000 2.720 312 T HA -0.176 4.190 4.350 0.027 0.000 0.268 312 T C 1.463 176.017 174.700 -0.242 0.000 1.037 312 T CA 1.611 63.516 62.100 -0.326 0.000 1.144 312 T CB -0.365 68.344 68.868 -0.265 0.000 0.864 312 T HN 0.408 nan 8.240 nan 0.000 0.444 313 D N 0.833 121.096 120.400 -0.229 0.000 2.117 313 D HA -0.020 4.636 4.640 0.027 0.000 0.197 313 D C 2.096 178.326 176.300 -0.118 0.000 0.987 313 D CA 0.993 54.911 54.000 -0.137 0.000 0.829 313 D CB -0.277 40.458 40.800 -0.108 0.000 0.961 313 D HN 0.395 nan 8.370 nan 0.000 0.460 314 M N -0.012 119.433 119.600 -0.257 0.000 2.099 314 M HA -0.112 4.384 4.480 0.027 0.000 0.262 314 M C 2.367 178.626 176.300 -0.069 0.000 1.067 314 M CA 1.029 56.141 55.300 -0.315 0.000 1.124 314 M CB -0.190 31.988 32.600 -0.703 0.000 1.353 314 M HN -0.083 nan 8.290 nan 0.000 0.410 315 R N 0.655 121.044 120.500 -0.185 0.000 2.096 315 R HA -0.226 4.130 4.340 0.027 0.000 0.240 315 R C 2.001 178.309 176.300 0.012 0.000 1.139 315 R CA 2.057 58.119 56.100 -0.062 0.000 0.952 315 R CB -0.214 29.978 30.300 -0.179 0.000 0.854 315 R HN 0.503 nan 8.270 nan 0.000 0.436 316 Q N -0.598 119.186 119.800 -0.026 0.000 2.123 316 Q HA -0.126 4.230 4.340 0.027 0.000 0.199 316 Q C 2.261 178.286 176.000 0.042 0.000 0.966 316 Q CA 1.113 56.917 55.803 0.001 0.000 0.845 316 Q CB -0.085 28.639 28.738 -0.024 0.000 0.907 316 Q HN 0.312 nan 8.270 nan 0.000 0.439 317 R N 0.731 121.277 120.500 0.077 0.000 2.081 317 R HA -0.115 4.241 4.340 0.027 0.000 0.235 317 R C 2.109 178.477 176.300 0.113 0.000 1.131 317 R CA 1.051 57.218 56.100 0.112 0.000 0.960 317 R CB -0.131 30.286 30.300 0.194 0.000 0.856 317 R HN 0.241 nan 8.270 nan 0.000 0.436 318 I N 0.787 121.453 120.570 0.159 0.000 2.226 318 I HA -0.321 3.865 4.170 0.027 0.000 0.245 318 I C 2.400 178.556 176.117 0.066 0.000 1.100 318 I CA 1.476 62.846 61.300 0.118 0.000 1.374 318 I CB -0.265 37.831 38.000 0.162 0.000 1.057 318 I HN 0.298 nan 8.210 nan 0.000 0.413 319 Q N 0.329 120.169 119.800 0.066 0.000 2.096 319 Q HA -0.220 4.136 4.340 0.027 0.000 0.204 319 Q C 2.384 178.409 176.000 0.041 0.000 0.982 319 Q CA 1.485 57.318 55.803 0.050 0.000 0.850 319 Q CB -0.203 28.561 28.738 0.043 0.000 0.901 319 Q HN 0.469 nan 8.270 nan 0.000 0.422 320 R N -0.254 120.269 120.500 0.039 0.000 2.096 320 R HA -0.071 4.285 4.340 0.027 0.000 0.235 320 R C 2.206 178.526 176.300 0.033 0.000 1.127 320 R CA 1.109 57.228 56.100 0.032 0.000 0.968 320 R CB -0.125 30.192 30.300 0.028 0.000 0.861 320 R HN 0.293 nan 8.270 nan 0.000 0.440 321 M N 0.195 119.812 119.600 0.029 0.000 2.175 321 M HA -0.087 4.409 4.480 0.027 0.000 0.264 321 M C 2.054 178.378 176.300 0.039 0.000 1.063 321 M CA 1.490 56.800 55.300 0.017 0.000 1.119 321 M CB -0.743 31.842 32.600 -0.024 0.000 1.377 321 M HN 0.088 nan 8.290 nan 0.000 0.415 322 R N -0.089 120.433 120.500 0.037 0.000 2.083 322 R HA -0.223 4.133 4.340 0.027 0.000 0.237 322 R C 2.299 178.656 176.300 0.095 0.000 1.137 322 R CA 1.744 57.886 56.100 0.070 0.000 0.951 322 R CB -0.468 29.866 30.300 0.056 0.000 0.851 322 R HN 0.301 nan 8.270 nan 0.000 0.434 323 Q N 0.937 120.772 119.800 0.059 0.000 2.084 323 Q HA -0.136 4.220 4.340 0.027 0.000 0.202 323 Q C 1.917 177.940 176.000 0.038 0.000 0.978 323 Q CA 1.370 57.197 55.803 0.039 0.000 0.844 323 Q CB -0.236 28.518 28.738 0.028 0.000 0.898 323 Q HN 0.260 nan 8.270 nan 0.000 0.426 324 L N -0.377 120.876 121.223 0.051 0.000 2.141 324 L HA -0.014 4.342 4.340 0.027 0.000 0.209 324 L C 1.955 178.866 176.870 0.069 0.000 1.094 324 L CA 1.409 56.274 54.840 0.042 0.000 0.763 324 L CB -0.625 41.457 42.059 0.039 0.000 0.908 324 L HN 0.343 nan 8.230 nan 0.000 0.437 325 F N -0.688 119.210 119.950 -0.086 0.000 2.102 325 F HA -0.188 4.355 4.527 0.028 0.000 0.298 325 F C 2.192 177.887 175.800 -0.175 0.000 1.105 325 F CA 1.988 59.908 58.000 -0.134 0.000 1.239 325 F CB -0.688 38.232 39.000 -0.134 0.000 0.991 325 F HN -0.089 nan 8.300 nan 0.000 0.474 326 V N 0.946 120.784 119.914 -0.128 0.000 2.287 326 V HA -0.347 3.790 4.120 0.027 0.000 0.248 326 V C 2.237 178.219 176.094 -0.187 0.000 1.053 326 V CA 2.235 64.396 62.300 -0.232 0.000 1.027 326 V CB -0.896 30.872 31.823 -0.093 0.000 0.646 326 V HN 0.343 nan 8.190 nan 0.000 0.447 327 N N 0.057 118.696 118.700 -0.101 0.000 2.120 327 N HA -0.128 4.628 4.740 0.027 0.000 0.188 327 N C 1.895 177.343 175.510 -0.103 0.000 1.024 327 N CA 1.934 54.939 53.050 -0.076 0.000 0.852 327 N CB -0.663 37.801 38.487 -0.039 0.000 1.003 327 N HN 0.476 nan 8.380 nan 0.000 0.424 328 T N 1.437 115.917 114.554 -0.125 0.000 2.857 328 T HA 0.076 4.443 4.350 0.027 0.000 0.266 328 T C 2.123 176.706 174.700 -0.196 0.000 1.048 328 T CA 0.415 62.440 62.100 -0.125 0.000 1.139 328 T CB -0.162 68.657 68.868 -0.082 0.000 0.874 328 T HN 0.109 nan 8.240 nan 0.000 0.455 329 L N 0.829 121.844 121.223 -0.347 0.000 2.046 329 L HA -0.170 4.187 4.340 0.027 0.000 0.208 329 L C 2.878 179.622 176.870 -0.210 0.000 1.077 329 L CA 1.368 55.964 54.840 -0.407 0.000 0.747 329 L CB -0.475 41.099 42.059 -0.807 0.000 0.896 329 L HN 0.246 nan 8.230 nan 0.000 0.432 330 Q N 0.575 120.284 119.800 -0.153 0.000 2.050 330 Q HA -0.246 4.110 4.340 0.027 0.000 0.202 330 Q C 1.969 177.933 176.000 -0.060 0.000 0.980 330 Q CA 1.831 57.593 55.803 -0.069 0.000 0.840 330 Q CB -0.043 28.667 28.738 -0.047 0.000 0.898 330 Q HN 0.436 nan 8.270 nan 0.000 0.424 331 E N -0.519 119.640 120.200 -0.068 0.000 2.204 331 E HA -0.144 4.222 4.350 0.027 0.000 0.195 331 E C 1.333 177.903 176.600 -0.050 0.000 0.990 331 E CA 0.910 57.280 56.400 -0.050 0.000 0.821 331 E CB 0.134 29.806 29.700 -0.046 0.000 0.750 331 E HN 0.137 nan 8.360 nan 0.000 0.477 332 K N -0.542 119.815 120.400 -0.071 0.000 2.444 332 K HA 0.098 4.435 4.320 0.027 0.000 0.193 332 K C 0.809 177.377 176.600 -0.053 0.000 1.024 332 K CA 0.646 56.894 56.287 -0.066 0.000 1.077 332 K CB 0.936 33.381 32.500 -0.092 0.000 0.833 332 K HN 0.245 nan 8.250 nan 0.000 0.517 333 G N 0.920 109.694 108.800 -0.044 0.000 2.142 333 G HA2 -0.284 3.692 3.960 0.027 0.000 0.225 333 G HA3 -0.284 3.692 3.960 0.027 0.000 0.225 333 G C 0.939 175.834 174.900 -0.008 0.000 1.015 333 G CA 0.360 45.447 45.100 -0.021 0.000 0.716 333 G HN 0.331 nan 8.290 nan 0.000 0.508 334 A N 0.184 122.998 122.820 -0.010 0.000 1.933 334 A HA 0.184 4.520 4.320 0.027 0.000 0.218 334 A C 1.826 179.458 177.584 0.080 0.000 1.175 334 A CA 1.957 54.025 52.037 0.050 0.000 0.628 334 A CB -0.367 18.688 19.000 0.091 0.000 0.814 334 A HN 1.721 nan 8.150 nan 0.000 0.444 335 N N -2.012 116.722 118.700 0.055 0.000 2.714 335 N HA -0.171 4.585 4.740 0.027 0.000 0.250 335 N C -0.003 175.531 175.510 0.041 0.000 1.117 335 N CA 1.368 54.442 53.050 0.040 0.000 0.719 335 N CB -0.983 37.520 38.487 0.027 0.000 1.081 335 N HN 0.736 nan 8.380 nan 0.000 0.557 336 R N -0.103 120.437 120.500 0.065 0.000 2.744 336 R HA 0.320 4.676 4.340 0.027 0.000 0.279 336 R C -1.442 174.830 176.300 -0.047 0.000 0.977 336 R CA -0.765 55.323 56.100 -0.019 0.000 0.906 336 R CB 1.000 31.254 30.300 -0.077 0.000 1.197 336 R HN 0.088 nan 8.270 nan 0.000 0.463 337 D N 2.210 122.546 120.400 -0.107 0.000 2.343 337 D HA 0.070 4.726 4.640 0.027 0.000 0.255 337 D C -0.499 175.675 176.300 -0.209 0.000 1.187 337 D CA 0.296 54.261 54.000 -0.058 0.000 0.875 337 D CB 0.418 41.224 40.800 0.010 0.000 1.136 337 D HN 0.423 nan 8.370 nan 0.000 0.469 338 F N 1.667 121.525 119.950 -0.153 0.000 2.724 338 F HA 0.143 4.686 4.527 0.027 0.000 0.310 338 F C 2.119 177.547 175.800 -0.621 0.000 1.107 338 F CA -0.314 57.375 58.000 -0.518 0.000 1.218 338 F CB 0.490 39.195 39.000 -0.492 0.000 1.042 338 F HN 0.289 nan 8.300 nan 0.000 0.540 339 S N 0.553 116.178 115.700 -0.125 0.000 2.442 339 S HA -0.212 4.274 4.470 0.027 0.000 0.236 339 S C 1.972 176.551 174.600 -0.034 0.000 1.007 339 S CA 1.324 59.489 58.200 -0.057 0.000 0.965 339 S CB -0.634 62.580 63.200 0.024 0.000 0.773 339 S HN 0.611 nan 8.310 nan 0.000 0.504 340 F N 1.292 121.284 119.950 0.070 0.000 2.192 340 F HA -0.085 4.458 4.527 0.027 0.000 0.301 340 F C 1.722 177.602 175.800 0.134 0.000 1.079 340 F CA 0.542 58.598 58.000 0.094 0.000 1.303 340 F CB -0.866 38.186 39.000 0.087 0.000 1.024 340 F HN 0.106 nan 8.300 nan 0.000 0.494 341 I N 1.180 121.555 120.570 -0.325 0.000 2.335 341 I HA -0.255 3.931 4.170 0.027 0.000 0.251 341 I C 2.471 178.622 176.117 0.057 0.000 1.129 341 I CA 1.500 62.765 61.300 -0.059 0.000 1.402 341 I CB -0.997 36.957 38.000 -0.076 0.000 1.069 341 I HN 0.304 nan 8.210 nan 0.000 0.424 342 I N 1.076 121.666 120.570 0.034 0.000 2.493 342 I HA -0.268 3.918 4.170 0.027 0.000 0.254 342 I C 2.498 178.664 176.117 0.081 0.000 1.160 342 I CA 1.086 62.419 61.300 0.055 0.000 1.445 342 I CB -0.184 37.839 38.000 0.038 0.000 1.086 342 I HN 0.276 nan 8.210 nan 0.000 0.433 343 K N 0.589 121.055 120.400 0.109 0.000 2.361 343 K HA 0.061 4.397 4.320 0.027 0.000 0.196 343 K C 0.624 177.305 176.600 0.135 0.000 1.039 343 K CA 0.108 56.465 56.287 0.118 0.000 1.001 343 K CB 0.051 32.627 32.500 0.128 0.000 0.795 343 K HN 0.307 nan 8.250 nan 0.000 0.495 344 Q N 1.067 120.963 119.800 0.160 0.000 2.382 344 Q HA 0.199 4.555 4.340 0.027 0.000 0.229 344 Q C -0.743 175.333 176.000 0.126 0.000 1.006 344 Q CA -0.474 55.428 55.803 0.166 0.000 0.916 344 Q CB 0.846 29.713 28.738 0.214 0.000 1.235 344 Q HN 0.126 nan 8.270 nan 0.000 0.512 345 N N 0.027 118.800 118.700 0.122 0.000 2.314 345 N HA 0.577 5.333 4.740 0.027 0.000 0.294 345 N C -0.243 175.299 175.510 0.054 0.000 1.029 345 N CA 0.380 53.496 53.050 0.109 0.000 0.845 345 N CB 1.866 40.441 38.487 0.148 0.000 1.321 345 N HN 0.847 nan 8.380 nan 0.000 0.481 346 G N 0.800 109.621 108.800 0.034 0.000 2.548 346 G HA2 -0.229 3.747 3.960 0.027 0.000 0.208 346 G HA3 -0.229 3.747 3.960 0.027 0.000 0.208 346 G C 0.753 175.521 174.900 -0.220 0.000 1.308 346 G CA -0.166 44.877 45.100 -0.095 0.000 0.924 346 G HN 0.438 nan 8.290 nan 0.000 0.540 347 M N -0.572 118.701 119.600 -0.545 0.000 2.229 347 M HA 0.205 4.701 4.480 0.027 0.000 0.264 347 M C 0.440 176.391 176.300 -0.582 0.000 1.063 347 M CA 1.420 56.299 55.300 -0.702 0.000 1.114 347 M CB -0.104 31.677 32.600 -1.364 0.000 1.387 347 M HN 0.237 nan 8.290 nan 0.000 0.420 348 F N -0.473 119.375 119.950 -0.170 0.000 2.492 348 F HA 0.484 5.027 4.527 0.027 0.000 0.327 348 F C 0.102 175.856 175.800 -0.078 0.000 1.079 348 F CA -1.132 56.791 58.000 -0.128 0.000 0.967 348 F CB 1.664 40.558 39.000 -0.177 0.000 1.169 348 F HN -0.273 nan 8.300 nan 0.000 0.472 349 S N 1.255 117.071 115.700 0.194 0.000 2.556 349 S HA 0.564 5.050 4.470 0.027 0.000 0.271 349 S C -1.494 173.259 174.600 0.255 0.000 1.135 349 S CA -0.643 57.665 58.200 0.181 0.000 0.858 349 S CB 1.262 64.620 63.200 0.264 0.000 1.114 349 S HN 0.224 nan 8.310 nan 0.000 0.468 350 F N 2.844 122.907 119.950 0.189 0.000 2.467 350 F HA 0.197 4.740 4.527 0.027 0.000 0.362 350 F C 2.005 178.038 175.800 0.388 0.000 1.090 350 F CA -1.005 57.108 58.000 0.187 0.000 1.202 350 F CB 0.784 39.816 39.000 0.054 0.000 1.113 350 F HN 0.715 nan 8.300 nan 0.000 0.541 351 S N 1.459 117.494 115.700 0.558 0.000 2.453 351 S HA 0.121 4.607 4.470 0.027 0.000 0.231 351 S C 1.717 176.692 174.600 0.624 0.000 1.005 351 S CA 0.518 59.085 58.200 0.611 0.000 0.949 351 S CB -0.417 63.060 63.200 0.462 0.000 0.774 351 S HN 1.236 nan 8.310 nan 0.000 0.510 352 G N 0.679 109.735 108.800 0.427 0.000 2.175 352 G HA2 -0.207 3.769 3.960 0.027 0.000 0.244 352 G HA3 -0.207 3.769 3.960 0.027 0.000 0.244 352 G C -0.060 174.967 174.900 0.211 0.000 0.982 352 G CA 0.169 45.462 45.100 0.321 0.000 0.641 352 G HN 0.525 nan 8.290 nan 0.000 0.527 353 L N 1.860 123.204 121.223 0.201 0.000 2.395 353 L HA 0.521 4.877 4.340 0.027 0.000 0.269 353 L C 1.618 178.521 176.870 0.054 0.000 1.133 353 L CA -0.048 54.873 54.840 0.134 0.000 0.812 353 L CB 0.897 43.042 42.059 0.144 0.000 1.125 353 L HN 0.397 nan 8.230 nan 0.000 0.452 354 T N -1.661 112.916 114.554 0.038 0.000 2.788 354 T HA 0.153 4.519 4.350 0.027 0.000 0.280 354 T C 1.020 175.720 174.700 0.000 0.000 0.984 354 T CA -0.671 61.431 62.100 0.003 0.000 0.972 354 T CB 0.962 69.834 68.868 0.007 0.000 1.039 354 T HN 0.762 nan 8.240 nan 0.000 0.530 355 K N 0.319 120.709 120.400 -0.016 0.000 2.103 355 K HA -0.186 4.150 4.320 0.027 0.000 0.207 355 K C 1.608 178.207 176.600 -0.002 0.000 1.048 355 K CA 1.687 57.966 56.287 -0.013 0.000 0.930 355 K CB -0.259 32.228 32.500 -0.021 0.000 0.716 355 K HN 0.607 nan 8.250 nan 0.000 0.444 356 E N 1.237 121.439 120.200 0.003 0.000 2.112 356 E HA -0.088 4.278 4.350 0.027 0.000 0.190 356 E C 2.149 178.762 176.600 0.021 0.000 0.979 356 E CA 1.127 57.532 56.400 0.008 0.000 0.814 356 E CB -0.015 29.691 29.700 0.009 0.000 0.762 356 E HN 0.401 nan 8.360 nan 0.000 0.460 357 Q N 0.046 119.865 119.800 0.031 0.000 2.084 357 Q HA -0.132 4.224 4.340 0.027 0.000 0.202 357 Q C 2.188 178.216 176.000 0.046 0.000 0.978 357 Q CA 1.390 57.222 55.803 0.050 0.000 0.844 357 Q CB -0.064 28.711 28.738 0.061 0.000 0.898 357 Q HN 0.158 nan 8.270 nan 0.000 0.426 358 V N 0.883 120.816 119.914 0.032 0.000 2.343 358 V HA -0.251 3.885 4.120 0.027 0.000 0.247 358 V C 2.138 178.224 176.094 -0.013 0.000 1.051 358 V CA 1.464 63.775 62.300 0.018 0.000 1.036 358 V CB -0.517 31.316 31.823 0.017 0.000 0.654 358 V HN 0.332 nan 8.190 nan 0.000 0.451 359 L N 0.487 121.701 121.223 -0.015 0.000 2.046 359 L HA -0.168 4.188 4.340 0.027 0.000 0.208 359 L C 2.563 179.416 176.870 -0.028 0.000 1.077 359 L CA 2.200 57.018 54.840 -0.036 0.000 0.747 359 L CB -0.782 41.264 42.059 -0.023 0.000 0.896 359 L HN 0.227 nan 8.230 nan 0.000 0.432 360 R N -0.805 119.705 120.500 0.016 0.000 2.096 360 R HA -0.137 4.219 4.340 0.027 0.000 0.235 360 R C 2.335 178.706 176.300 0.119 0.000 1.127 360 R CA 1.592 57.724 56.100 0.053 0.000 0.968 360 R CB -0.336 30.015 30.300 0.087 0.000 0.861 360 R HN 0.457 nan 8.270 nan 0.000 0.440 361 L N 0.355 121.648 121.223 0.117 0.000 2.042 361 L HA -0.213 4.143 4.340 0.027 0.000 0.210 361 L C 2.901 179.811 176.870 0.066 0.000 1.076 361 L CA 1.823 56.762 54.840 0.165 0.000 0.749 361 L CB -0.408 41.691 42.059 0.066 0.000 0.893 361 L HN 0.297 nan 8.230 nan 0.000 0.432 362 R N 0.157 120.578 120.500 -0.131 0.000 2.073 362 R HA -0.141 4.215 4.340 0.027 0.000 0.229 362 R C 2.040 178.204 176.300 -0.227 0.000 1.120 362 R CA 1.396 57.252 56.100 -0.407 0.000 0.967 362 R CB -0.058 29.802 30.300 -0.733 0.000 0.862 362 R HN 0.377 nan 8.270 nan 0.000 0.436 363 E N 0.054 120.178 120.200 -0.127 0.000 2.046 363 E HA -0.191 4.175 4.350 0.027 0.000 0.190 363 E C 1.816 178.352 176.600 -0.107 0.000 0.982 363 E CA 1.283 57.628 56.400 -0.091 0.000 0.800 363 E CB 0.048 29.707 29.700 -0.069 0.000 0.756 363 E HN 0.463 nan 8.360 nan 0.000 0.449 364 E N -0.611 119.502 120.200 -0.144 0.000 2.190 364 E HA -0.056 4.310 4.350 0.027 0.000 0.191 364 E C 0.904 177.160 176.600 -0.574 0.000 0.978 364 E CA 0.531 56.693 56.400 -0.398 0.000 0.839 364 E CB 0.289 29.650 29.700 -0.565 0.000 0.787 364 E HN 0.151 nan 8.360 nan 0.000 0.473 365 F N -1.187 118.755 119.950 -0.013 0.000 2.767 365 F HA 0.358 4.901 4.527 0.026 0.000 0.323 365 F C 1.273 177.094 175.800 0.036 0.000 1.091 365 F CA 0.315 58.321 58.000 0.010 0.000 1.192 365 F CB 1.437 40.444 39.000 0.011 0.000 1.056 365 F HN 0.093 nan 8.300 nan 0.000 0.571 366 G N 1.505 110.402 108.800 0.162 0.000 2.179 366 G HA2 -0.258 3.718 3.960 0.027 0.000 0.257 366 G HA3 -0.258 3.718 3.960 0.027 0.000 0.257 366 G C -0.152 174.950 174.900 0.336 0.000 1.010 366 G CA 0.289 45.538 45.100 0.248 0.000 0.736 366 G HN 0.177 nan 8.290 nan 0.000 0.513 367 V N 0.565 120.594 119.914 0.193 0.000 2.394 367 V HA 0.555 4.691 4.120 0.027 0.000 0.282 367 V C -0.268 175.888 176.094 0.102 0.000 1.031 367 V CA -0.839 61.585 62.300 0.207 0.000 0.881 367 V CB 1.096 32.994 31.823 0.126 0.000 0.982 367 V HN 0.227 nan 8.190 nan 0.000 0.451 368 Y N 3.485 123.816 120.300 0.051 0.000 2.334 368 Y HA 0.742 5.309 4.550 0.028 0.000 0.336 368 Y C 0.428 176.354 175.900 0.043 0.000 0.960 368 Y CA -0.385 57.741 58.100 0.045 0.000 1.164 368 Y CB 1.694 40.173 38.460 0.033 0.000 1.155 368 Y HN 0.738 nan 8.280 nan 0.000 0.478 369 A N 2.111 125.006 122.820 0.126 0.000 2.435 369 A HA 0.857 5.194 4.320 0.027 0.000 0.296 369 A C -0.573 177.065 177.584 0.091 0.000 1.147 369 A CA -0.771 51.334 52.037 0.113 0.000 0.775 369 A CB 0.748 19.807 19.000 0.099 0.000 1.340 369 A HN 0.642 nan 8.150 nan 0.000 0.427 370 V N -1.693 118.271 119.914 0.083 0.000 3.133 370 V HA 0.571 4.707 4.120 0.027 0.000 0.305 370 V C 1.373 177.493 176.094 0.043 0.000 1.084 370 V CA 0.310 62.644 62.300 0.056 0.000 1.089 370 V CB 0.513 32.359 31.823 0.038 0.000 1.073 370 V HN 1.635 nan 8.190 nan 0.000 0.477 371 A N 1.808 124.640 122.820 0.020 0.000 2.019 371 A HA -0.087 4.250 4.320 0.027 0.000 0.219 371 A C 2.275 179.846 177.584 -0.021 0.000 1.164 371 A CA 2.045 54.082 52.037 -0.000 0.000 0.644 371 A CB -1.079 17.916 19.000 -0.008 0.000 0.805 371 A HN 1.591 nan 8.150 nan 0.000 0.449 372 S N -1.694 113.996 115.700 -0.017 0.000 2.507 372 S HA 0.270 4.756 4.470 0.027 0.000 0.235 372 S C 1.548 176.039 174.600 -0.181 0.000 0.988 372 S CA 1.234 59.366 58.200 -0.114 0.000 0.944 372 S CB -0.557 62.648 63.200 0.007 0.000 0.762 372 S HN 1.940 nan 8.310 nan 0.000 0.526 373 G N 1.132 109.931 108.800 -0.001 0.000 2.176 373 G HA2 -0.300 3.676 3.960 0.027 0.000 0.253 373 G HA3 -0.300 3.676 3.960 0.027 0.000 0.253 373 G C 0.106 175.151 174.900 0.242 0.000 0.979 373 G CA 0.074 45.221 45.100 0.080 0.000 0.641 373 G HN 0.728 nan 8.290 nan 0.000 0.530 374 R N 0.407 121.103 120.500 0.327 0.000 2.537 374 R HA 0.450 4.806 4.340 0.027 0.000 0.280 374 R C 0.596 177.023 176.300 0.211 0.000 1.058 374 R CA 0.555 56.865 56.100 0.350 0.000 1.057 374 R CB 0.535 30.947 30.300 0.185 0.000 0.973 374 R HN 0.696 nan 8.270 nan 0.000 0.438 375 V N 1.329 121.369 119.914 0.210 0.000 2.769 375 V HA 0.378 4.514 4.120 0.027 0.000 0.312 375 V C -0.407 175.804 176.094 0.196 0.000 1.061 375 V CA -1.084 61.299 62.300 0.138 0.000 0.931 375 V CB 1.849 33.678 31.823 0.010 0.000 1.010 375 V HN 0.884 nan 8.190 nan 0.000 0.433 376 N N 2.278 121.077 118.700 0.165 0.000 2.469 376 N HA 0.243 4.999 4.740 0.027 0.000 0.239 376 N C 0.995 176.444 175.510 -0.102 0.000 1.053 376 N CA -0.121 52.973 53.050 0.072 0.000 0.937 376 N CB 1.824 40.378 38.487 0.111 0.000 1.163 376 N HN 0.889 nan 8.380 nan 0.000 0.509 377 V N 2.086 121.904 119.914 -0.160 0.000 2.913 377 V HA -0.023 4.114 4.120 0.027 0.000 0.260 377 V C 1.942 177.936 176.094 -0.167 0.000 1.098 377 V CA 1.601 63.776 62.300 -0.210 0.000 1.121 377 V CB -0.809 30.899 31.823 -0.192 0.000 0.714 377 V HN 0.624 nan 8.190 nan 0.000 0.487 378 A N 1.043 123.763 122.820 -0.167 0.000 2.209 378 A HA 0.250 4.586 4.320 0.027 0.000 0.212 378 A C 2.155 179.601 177.584 -0.230 0.000 1.158 378 A CA 1.108 53.032 52.037 -0.187 0.000 0.742 378 A CB -0.972 17.937 19.000 -0.151 0.000 0.790 378 A HN 0.717 nan 8.150 nan 0.000 0.472 379 G N -1.036 107.665 108.800 -0.166 0.000 2.813 379 G HA2 0.236 4.212 3.960 0.027 0.000 0.209 379 G HA3 0.236 4.212 3.960 0.027 0.000 0.209 379 G C 0.619 175.447 174.900 -0.119 0.000 1.150 379 G CA -0.164 44.857 45.100 -0.132 0.000 0.785 379 G HN 0.470 nan 8.290 nan 0.000 0.535 380 M N 1.556 121.076 119.600 -0.133 0.000 2.249 380 M HA 0.427 4.923 4.480 0.027 0.000 0.351 380 M C 0.210 176.461 176.300 -0.082 0.000 1.180 380 M CA -0.164 55.073 55.300 -0.105 0.000 1.127 380 M CB 1.794 34.312 32.600 -0.137 0.000 1.546 380 M HN 0.094 nan 8.290 nan 0.000 0.461 381 T N -1.214 113.310 114.554 -0.051 0.000 2.883 381 T HA 0.486 4.852 4.350 0.027 0.000 0.296 381 T C -2.558 172.133 174.700 -0.015 0.000 1.117 381 T CA -1.778 60.300 62.100 -0.037 0.000 1.006 381 T CB 1.746 70.590 68.868 -0.039 0.000 1.191 381 T HN 0.268 nan 8.240 nan 0.000 0.508 382 P HA -0.053 nan 4.420 nan 0.000 0.217 382 P C 0.836 178.136 177.300 0.000 0.000 1.148 382 P CA 1.013 64.113 63.100 0.000 0.000 0.828 382 P CB 0.053 31.753 31.700 0.001 0.000 0.783 383 D N -1.220 119.178 120.400 -0.003 0.000 2.123 383 D HA -0.096 4.560 4.640 0.027 0.000 0.200 383 D C 1.508 177.810 176.300 0.002 0.000 0.976 383 D CA 1.102 55.102 54.000 -0.001 0.000 0.831 383 D CB -0.824 39.974 40.800 -0.003 0.000 0.974 383 D HN 0.456 nan 8.370 nan 0.000 0.469 384 N N -0.381 118.318 118.700 -0.001 0.000 2.336 384 N HA -0.031 4.725 4.740 0.027 0.000 0.189 384 N C 1.676 177.194 175.510 0.013 0.000 1.113 384 N CA -0.112 52.942 53.050 0.006 0.000 0.858 384 N CB 0.087 38.574 38.487 0.001 0.000 0.970 384 N HN -0.066 nan 8.380 nan 0.000 0.471 385 M N 1.820 121.429 119.600 0.014 0.000 2.099 385 M HA 0.069 4.565 4.480 0.027 0.000 0.262 385 M C 2.176 178.489 176.300 0.022 0.000 1.067 385 M CA 1.294 56.614 55.300 0.033 0.000 1.124 385 M CB -0.340 32.282 32.600 0.037 0.000 1.353 385 M HN 0.312 nan 8.290 nan 0.000 0.410 386 A N 0.723 123.547 122.820 0.006 0.000 1.877 386 A HA -0.049 4.287 4.320 0.027 0.000 0.216 386 A C -0.323 177.254 177.584 -0.011 0.000 1.186 386 A CA 1.596 53.628 52.037 -0.008 0.000 0.620 386 A CB -2.301 16.695 19.000 -0.007 0.000 0.822 386 A HN 0.475 nan 8.150 nan 0.000 0.443 387 P HA -0.151 nan 4.420 nan 0.000 0.217 387 P C 1.825 179.118 177.300 -0.011 0.000 1.150 387 P CA 0.958 64.063 63.100 0.009 0.000 0.832 387 P CB -0.205 31.515 31.700 0.034 0.000 0.787 388 L N -0.308 120.918 121.223 0.005 0.000 1.989 388 L HA -0.204 4.152 4.340 0.027 0.000 0.211 388 L C 2.329 179.184 176.870 -0.026 0.000 1.071 388 L CA 2.097 56.945 54.840 0.013 0.000 0.749 388 L CB -0.870 41.222 42.059 0.055 0.000 0.890 388 L HN -0.015 nan 8.230 nan 0.000 0.431 389 C N -0.038 119.243 119.300 -0.031 0.000 2.450 389 C HA -0.088 4.388 4.460 0.027 0.000 0.279 389 C C 2.481 177.379 174.990 -0.154 0.000 1.335 389 C CA 0.640 59.591 59.018 -0.110 0.000 1.749 389 C CB -0.861 26.796 27.740 -0.139 0.000 1.963 389 C HN 0.582 nan 8.230 nan 0.000 0.501 390 E N 1.254 121.378 120.200 -0.128 0.000 2.085 390 E HA -0.185 4.182 4.350 0.027 0.000 0.194 390 E C 2.371 178.796 176.600 -0.291 0.000 0.994 390 E CA 1.440 57.753 56.400 -0.146 0.000 0.801 390 E CB -0.252 29.401 29.700 -0.079 0.000 0.743 390 E HN 0.667 nan 8.360 nan 0.000 0.453 391 A N 1.244 123.816 122.820 -0.412 0.000 1.865 391 A HA -0.205 4.131 4.320 0.027 0.000 0.217 391 A C 2.210 179.407 177.584 -0.644 0.000 1.191 391 A CA 1.297 52.779 52.037 -0.925 0.000 0.623 391 A CB -0.691 17.922 19.000 -0.644 0.000 0.826 391 A HN 0.147 nan 8.150 nan 0.000 0.444 392 I N -0.444 119.942 120.570 -0.307 0.000 2.163 392 I HA -0.236 3.950 4.170 0.027 0.000 0.243 392 I C 2.370 178.401 176.117 -0.143 0.000 1.085 392 I CA 1.316 62.517 61.300 -0.166 0.000 1.347 392 I CB -0.400 37.536 38.000 -0.106 0.000 1.044 392 I HN 0.159 nan 8.210 nan 0.000 0.408 393 V N 1.142 120.959 119.914 -0.161 0.000 2.392 393 V HA -0.335 3.801 4.120 0.027 0.000 0.249 393 V C 2.687 178.734 176.094 -0.077 0.000 1.059 393 V CA 2.018 64.261 62.300 -0.095 0.000 1.051 393 V CB -1.051 30.716 31.823 -0.093 0.000 0.658 393 V HN 0.534 nan 8.190 nan 0.000 0.455 394 A N 0.197 122.924 122.820 -0.155 0.000 2.019 394 A HA -0.118 4.219 4.320 0.027 0.000 0.219 394 A C 2.214 179.810 177.584 0.020 0.000 1.164 394 A CA 2.023 54.020 52.037 -0.065 0.000 0.644 394 A CB -0.479 18.451 19.000 -0.117 0.000 0.805 394 A HN 0.780 nan 8.150 nan 0.000 0.449 395 V N -2.863 117.039 119.914 -0.020 0.000 3.650 395 V HA 0.332 4.468 4.120 0.027 0.000 0.271 395 V C 0.956 177.083 176.094 0.055 0.000 1.281 395 V CA -0.255 62.079 62.300 0.056 0.000 1.120 395 V CB -0.962 30.904 31.823 0.072 0.000 0.856 395 V HN 0.327 nan 8.190 nan 0.000 0.443 396 L N 0.000 121.251 121.223 0.047 0.000 2.949 396 L HA 0.000 4.356 4.340 0.027 0.000 0.249 396 L CA 0.000 54.880 54.840 0.066 0.000 0.813 396 L CB 0.000 42.108 42.059 0.081 0.000 0.961 396 L HN 0.000 nan 8.230 nan 0.000 0.502