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 1t8s_1_B DATA FIRST_RESID 8 DATA SEQUENCE LTPAQALDKL DALYEQSVVA LRNAIGNYIT SGELPDENAR KQGLFVYPSL DATA SEQUENCE TVTWDGSTTN PPKTRAFGRF THAGSYTTTI TRPTLFRSYL NEQLTLLYQD DATA SEQUENCE YGAHISVQPS QHEIPYPYVI XXXXXXLDRS XSAGLTRYFP TTXXXXXXXX DATA SEQUENCE XXXXXXXXXX FSPLSHFDAR RVDFSLARLR HYTGTPVEHF QPFVLFTNYT DATA SEQUENCE RYVDEFVRWG CSQILDPDSP YIALSCAGGN WITAETEAPE EAISDLAWKK DATA SEQUENCE HQXPAWHLIT ADGQGITLVN IGVGPSNAKT ICDHLAVLRP DVWLXIGHCG DATA SEQUENCE GLRESQAIGD YVLAHAYLRD DHVLDAVLPP DIPIPSIAEV QRALYDATKL DATA SEQUENCE VSGRPGEEVK QRLRTGTVVT TDDRNWELRY SASALRFNLS RAVAIDXESA DATA SEQUENCE TIAAQGYRFR VPYGTLLCVS DKPLHGEIKX XXXXXXXXEG AISEHLQIGI DATA SEQUENCE RAIDLLRAEG DRLHSRKLRT FNEPPFR 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.832 176.870 -0.063 0.000 1.165 8 L CA 0.000 54.853 54.840 0.022 0.000 0.813 8 L CB 0.000 42.043 42.059 -0.026 0.000 0.961 9 T N 0.292 114.755 114.554 -0.151 0.000 2.912 9 T HA 0.557 4.907 4.350 -0.000 0.000 0.280 9 T C -2.267 172.226 174.700 -0.345 0.000 0.989 9 T CA -1.721 60.124 62.100 -0.424 0.000 0.995 9 T CB 1.749 70.437 68.868 -0.300 0.000 1.077 9 T HN 0.364 nan 8.240 nan 0.000 0.531 10 P HA -0.118 nan 4.420 nan 0.000 0.213 10 P C 1.767 178.989 177.300 -0.130 0.000 1.170 10 P CA 2.018 64.978 63.100 -0.233 0.000 0.902 10 P CB -0.392 31.178 31.700 -0.217 0.000 0.789 11 A N -0.662 122.090 122.820 -0.114 0.000 1.940 11 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 11 A C 2.253 179.812 177.584 -0.042 0.000 1.176 11 A CA 1.911 53.913 52.037 -0.059 0.000 0.631 11 A CB -1.411 17.563 19.000 -0.043 0.000 0.814 11 A HN 0.242 nan 8.150 nan 0.000 0.446 12 Q N -0.872 118.894 119.800 -0.056 0.000 2.079 12 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 12 Q C 2.492 178.481 176.000 -0.018 0.000 0.974 12 Q CA 1.280 57.065 55.803 -0.030 0.000 0.840 12 Q CB -0.378 28.340 28.738 -0.032 0.000 0.898 12 Q HN 0.688 nan 8.270 nan 0.000 0.430 13 A N 1.023 123.821 122.820 -0.037 0.000 1.883 13 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 13 A C 2.090 179.682 177.584 0.013 0.000 1.186 13 A CA 1.171 53.201 52.037 -0.011 0.000 0.624 13 A CB -0.776 18.210 19.000 -0.023 0.000 0.822 13 A HN 0.285 nan 8.150 nan 0.000 0.444 14 L N -0.437 120.788 121.223 0.004 0.000 2.012 14 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 14 L C 2.203 179.095 176.870 0.038 0.000 1.073 14 L CA 1.655 56.508 54.840 0.023 0.000 0.748 14 L CB -0.773 41.291 42.059 0.009 0.000 0.891 14 L HN 0.356 nan 8.230 nan 0.000 0.431 15 D N -0.018 120.398 120.400 0.027 0.000 2.117 15 D HA -0.210 4.430 4.640 -0.000 0.000 0.197 15 D C 2.114 178.444 176.300 0.050 0.000 0.987 15 D CA 1.250 55.272 54.000 0.037 0.000 0.829 15 D CB -0.043 40.772 40.800 0.025 0.000 0.961 15 D HN 0.264 nan 8.370 nan 0.000 0.460 16 K N 0.476 120.903 120.400 0.046 0.000 2.097 16 K HA -0.038 4.282 4.320 -0.000 0.000 0.205 16 K C 2.317 178.966 176.600 0.081 0.000 1.050 16 K CA 0.371 56.692 56.287 0.056 0.000 0.938 16 K CB -0.007 32.521 32.500 0.046 0.000 0.718 16 K HN 0.065 nan 8.250 nan 0.000 0.442 17 L N 0.893 122.166 121.223 0.084 0.000 2.017 17 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 17 L C 2.187 179.151 176.870 0.157 0.000 1.073 17 L CA 1.271 56.179 54.840 0.113 0.000 0.745 17 L CB -0.494 41.619 42.059 0.090 0.000 0.894 17 L HN 0.269 nan 8.230 nan 0.000 0.432 18 D N 0.042 120.522 120.400 0.133 0.000 2.104 18 D HA -0.199 4.441 4.640 -0.000 0.000 0.194 18 D C 2.117 178.517 176.300 0.167 0.000 0.994 18 D CA 1.639 55.738 54.000 0.164 0.000 0.830 18 D CB 0.126 40.993 40.800 0.111 0.000 0.959 18 D HN 0.343 nan 8.370 nan 0.000 0.452 19 A N 1.111 124.001 122.820 0.116 0.000 1.841 19 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 19 A C 2.512 180.157 177.584 0.102 0.000 1.199 19 A CA 1.092 53.184 52.037 0.091 0.000 0.621 19 A CB -1.052 17.989 19.000 0.068 0.000 0.835 19 A HN 0.215 nan 8.150 nan 0.000 0.445 20 L N -2.057 119.236 121.223 0.117 0.000 2.043 20 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 20 L C 2.646 179.609 176.870 0.156 0.000 1.075 20 L CA 2.136 57.050 54.840 0.123 0.000 0.752 20 L CB -0.644 41.494 42.059 0.132 0.000 0.891 20 L HN 0.637 nan 8.230 nan 0.000 0.432 21 Y N 0.880 121.230 120.300 0.083 0.000 2.109 21 Y HA -0.247 4.303 4.550 -0.000 0.000 0.285 21 Y C 2.673 178.612 175.900 0.065 0.000 1.131 21 Y CA 1.582 59.736 58.100 0.090 0.000 1.121 21 Y CB -0.199 38.332 38.460 0.117 0.000 0.987 21 Y HN 0.097 nan 8.280 nan 0.000 0.495 22 E N 0.433 120.633 120.200 -0.000 0.000 2.097 22 E HA -0.323 4.027 4.350 -0.000 0.000 0.196 22 E C 2.188 178.727 176.600 -0.102 0.000 1.000 22 E CA 1.706 58.053 56.400 -0.089 0.000 0.804 22 E CB -0.483 29.234 29.700 0.027 0.000 0.740 22 E HN 0.682 nan 8.360 nan 0.000 0.454 23 Q N 0.245 120.025 119.800 -0.033 0.000 2.020 23 Q HA -0.123 4.217 4.340 -0.000 0.000 0.202 23 Q C 2.269 178.258 176.000 -0.018 0.000 0.982 23 Q CA 1.810 57.606 55.803 -0.011 0.000 0.838 23 Q CB 0.061 28.811 28.738 0.021 0.000 0.899 23 Q HN 0.101 nan 8.270 nan 0.000 0.423 24 S N -0.077 115.604 115.700 -0.032 0.000 2.368 24 S HA -0.138 4.332 4.470 -0.000 0.000 0.225 24 S C 1.868 176.432 174.600 -0.060 0.000 1.030 24 S CA 1.124 59.328 58.200 0.006 0.000 0.999 24 S CB -0.377 62.827 63.200 0.006 0.000 0.844 24 S HN 0.429 nan 8.310 nan 0.000 0.459 25 V N 1.781 121.550 119.914 -0.241 0.000 2.343 25 V HA -0.119 4.001 4.120 -0.000 0.000 0.247 25 V C 2.016 178.021 176.094 -0.150 0.000 1.051 25 V CA 1.740 63.880 62.300 -0.266 0.000 1.036 25 V CB -0.445 31.112 31.823 -0.443 0.000 0.654 25 V HN 0.376 nan 8.190 nan 0.000 0.451 26 V N 0.705 120.554 119.914 -0.109 0.000 2.358 26 V HA -0.148 3.972 4.120 -0.000 0.000 0.246 26 V C 2.896 178.985 176.094 -0.008 0.000 1.047 26 V CA 2.003 64.270 62.300 -0.055 0.000 1.035 26 V CB -1.244 30.558 31.823 -0.036 0.000 0.658 26 V HN 0.660 nan 8.190 nan 0.000 0.452 27 A N -0.683 122.165 122.820 0.047 0.000 1.933 27 A HA -0.146 4.174 4.320 -0.000 0.000 0.218 27 A C 2.267 179.988 177.584 0.229 0.000 1.175 27 A CA 1.744 53.880 52.037 0.164 0.000 0.628 27 A CB -0.431 18.703 19.000 0.222 0.000 0.814 27 A HN 0.477 nan 8.150 nan 0.000 0.444 28 L N -1.201 120.036 121.223 0.023 0.000 2.044 28 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 28 L C 2.826 179.512 176.870 -0.307 0.000 1.075 28 L CA 1.106 55.694 54.840 -0.421 0.000 0.747 28 L CB -0.313 41.428 42.059 -0.530 0.000 0.903 28 L HN 0.369 nan 8.230 nan 0.000 0.435 29 R N -0.319 120.068 120.500 -0.188 0.000 2.091 29 R HA -0.207 4.133 4.340 -0.000 0.000 0.238 29 R C 2.136 178.368 176.300 -0.114 0.000 1.136 29 R CA 1.585 57.590 56.100 -0.158 0.000 0.959 29 R CB -0.442 29.795 30.300 -0.105 0.000 0.856 29 R HN 0.460 nan 8.270 nan 0.000 0.437 30 N N 0.724 119.394 118.700 -0.049 0.000 2.039 30 N HA -0.158 4.582 4.740 -0.000 0.000 0.193 30 N C 1.692 177.219 175.510 0.027 0.000 1.044 30 N CA 1.762 54.813 53.050 0.002 0.000 0.847 30 N CB -0.119 38.394 38.487 0.043 0.000 1.030 30 N HN 0.201 nan 8.380 nan 0.000 0.422 31 A N 1.352 124.221 122.820 0.081 0.000 1.940 31 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 31 A C 2.397 180.048 177.584 0.111 0.000 1.176 31 A CA 1.053 53.211 52.037 0.203 0.000 0.631 31 A CB -0.640 18.632 19.000 0.454 0.000 0.814 31 A HN 0.400 nan 8.150 nan 0.000 0.446 32 I N -0.626 119.807 120.570 -0.228 0.000 2.252 32 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 32 I C 2.727 178.780 176.117 -0.107 0.000 1.102 32 I CA 1.068 62.115 61.300 -0.421 0.000 1.385 32 I CB -0.728 36.934 38.000 -0.563 0.000 1.064 32 I HN 0.397 nan 8.210 nan 0.000 0.414 33 G N 0.923 109.680 108.800 -0.071 0.000 2.418 33 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 33 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 33 G C 1.364 176.275 174.900 0.019 0.000 1.158 33 G CA 0.978 46.062 45.100 -0.027 0.000 0.771 33 G HN 0.315 nan 8.290 nan 0.000 0.545 34 N N -0.457 118.278 118.700 0.058 0.000 2.069 34 N HA -0.139 4.601 4.740 -0.000 0.000 0.191 34 N C 1.765 177.335 175.510 0.100 0.000 1.031 34 N CA 1.230 54.326 53.050 0.076 0.000 0.852 34 N CB -0.514 38.036 38.487 0.106 0.000 1.018 34 N HN 0.470 nan 8.380 nan 0.000 0.423 35 Y N 1.236 121.582 120.300 0.077 0.000 2.145 35 Y HA -0.049 4.501 4.550 -0.000 0.000 0.286 35 Y C 1.978 177.903 175.900 0.041 0.000 1.145 35 Y CA 1.344 59.504 58.100 0.099 0.000 1.148 35 Y CB -0.350 38.279 38.460 0.281 0.000 0.981 35 Y HN 0.015 nan 8.280 nan 0.000 0.507 36 I N -0.209 120.385 120.570 0.040 0.000 2.208 36 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 36 I C 2.448 178.499 176.117 -0.110 0.000 1.097 36 I CA 2.056 63.324 61.300 -0.054 0.000 1.363 36 I CB -0.736 37.261 38.000 -0.006 0.000 1.051 36 I HN 0.434 nan 8.210 nan 0.000 0.413 37 T N -2.564 111.944 114.554 -0.076 0.000 2.852 37 T HA -0.032 4.318 4.350 -0.000 0.000 0.256 37 T C 1.560 176.205 174.700 -0.091 0.000 1.038 37 T CA 0.959 63.016 62.100 -0.070 0.000 1.141 37 T CB -0.341 68.503 68.868 -0.040 0.000 0.869 37 T HN 0.362 nan 8.240 nan 0.000 0.439 38 S N -0.017 115.627 115.700 -0.094 0.000 2.663 38 S HA 0.525 4.995 4.470 -0.000 0.000 0.243 38 S C 1.624 176.137 174.600 -0.145 0.000 1.009 38 S CA 0.160 58.303 58.200 -0.096 0.000 0.988 38 S CB -0.207 62.963 63.200 -0.051 0.000 0.896 38 S HN 1.153 nan 8.310 nan 0.000 0.502 39 G N 1.783 110.411 108.800 -0.287 0.000 2.269 39 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.277 39 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.277 39 G C -0.129 174.672 174.900 -0.165 0.000 1.008 39 G CA 0.760 45.590 45.100 -0.449 0.000 0.774 39 G HN 0.804 nan 8.290 nan 0.000 0.511 40 E N -0.428 119.754 120.200 -0.031 0.000 2.313 40 E HA 0.489 4.839 4.350 -0.000 0.000 0.276 40 E C 0.014 176.702 176.600 0.146 0.000 1.031 40 E CA -0.835 55.590 56.400 0.040 0.000 0.857 40 E CB 0.325 30.046 29.700 0.035 0.000 1.040 40 E HN 0.122 nan 8.360 nan 0.000 0.408 41 L N 5.294 126.524 121.223 0.012 0.000 2.334 41 L HA 0.477 4.817 4.340 -0.000 0.000 0.270 41 L C -2.035 174.809 176.870 -0.042 0.000 1.018 41 L CA -1.909 52.875 54.840 -0.094 0.000 0.811 41 L CB 0.766 42.627 42.059 -0.329 0.000 1.271 41 L HN 0.603 nan 8.230 nan 0.000 0.443 42 P HA 0.197 nan 4.420 nan 0.000 0.274 42 P C -1.438 175.838 177.300 -0.040 0.000 1.246 42 P CA -0.551 62.572 63.100 0.040 0.000 0.795 42 P CB 0.363 32.172 31.700 0.181 0.000 1.006 43 D N 1.159 121.530 120.400 -0.048 0.000 2.225 43 D HA 0.024 4.664 4.640 -0.000 0.000 0.248 43 D C 0.537 176.787 176.300 -0.082 0.000 1.096 43 D CA -0.385 53.578 54.000 -0.062 0.000 0.863 43 D CB 1.188 41.957 40.800 -0.052 0.000 1.156 43 D HN 0.222 nan 8.370 nan 0.000 0.450 44 E N 2.527 122.688 120.200 -0.066 0.000 2.130 44 E HA -0.261 4.089 4.350 -0.000 0.000 0.196 44 E C 1.394 177.950 176.600 -0.073 0.000 0.998 44 E CA 1.207 57.569 56.400 -0.062 0.000 0.806 44 E CB -0.241 29.435 29.700 -0.040 0.000 0.738 44 E HN 0.640 nan 8.360 nan 0.000 0.459 45 N N 0.701 119.362 118.700 -0.066 0.000 2.084 45 N HA -0.139 4.601 4.740 -0.000 0.000 0.190 45 N C 1.701 177.159 175.510 -0.087 0.000 1.030 45 N CA 1.889 54.901 53.050 -0.063 0.000 0.849 45 N CB -0.218 38.240 38.487 -0.048 0.000 1.012 45 N HN 0.137 nan 8.380 nan 0.000 0.423 46 A N 0.756 123.509 122.820 -0.111 0.000 1.883 46 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 46 A C 2.226 179.681 177.584 -0.216 0.000 1.186 46 A CA 1.471 53.420 52.037 -0.148 0.000 0.624 46 A CB -0.594 18.309 19.000 -0.161 0.000 0.822 46 A HN 0.380 nan 8.150 nan 0.000 0.444 47 R N -0.487 119.846 120.500 -0.278 0.000 2.083 47 R HA -0.129 4.211 4.340 -0.000 0.000 0.237 47 R C 2.231 178.432 176.300 -0.164 0.000 1.137 47 R CA 1.595 57.499 56.100 -0.327 0.000 0.951 47 R CB -0.338 29.799 30.300 -0.271 0.000 0.851 47 R HN 0.544 nan 8.270 nan 0.000 0.434 48 K N 0.671 121.005 120.400 -0.110 0.000 2.585 48 K HA -0.167 4.153 4.320 -0.000 0.000 0.194 48 K C 1.306 177.868 176.600 -0.063 0.000 1.037 48 K CA 0.974 57.220 56.287 -0.068 0.000 0.964 48 K CB 0.237 32.706 32.500 -0.052 0.000 0.787 48 K HN -0.030 nan 8.250 nan 0.000 0.488 49 Q N -0.698 119.054 119.800 -0.081 0.000 2.247 49 Q HA 0.168 4.508 4.340 -0.000 0.000 0.211 49 Q C 0.068 176.035 176.000 -0.055 0.000 0.861 49 Q CA 0.604 56.371 55.803 -0.060 0.000 0.949 49 Q CB 1.170 29.872 28.738 -0.060 0.000 1.115 49 Q HN 0.410 nan 8.270 nan 0.000 0.507 50 G N 0.472 109.231 108.800 -0.069 0.000 2.167 50 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.194 50 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.194 50 G C 0.320 175.184 174.900 -0.060 0.000 1.027 50 G CA 0.324 45.401 45.100 -0.039 0.000 0.717 50 G HN 0.325 nan 8.290 nan 0.000 0.501 51 L N -0.496 120.620 121.223 -0.177 0.000 2.027 51 L HA 0.378 4.718 4.340 -0.000 0.000 0.206 51 L C 2.077 178.917 176.870 -0.050 0.000 1.074 51 L CA 2.178 56.865 54.840 -0.255 0.000 0.745 51 L CB -0.360 41.321 42.059 -0.631 0.000 0.898 51 L HN 0.388 nan 8.230 nan 0.000 0.433 52 F N -1.646 118.307 119.950 0.004 0.000 2.639 52 F HA 0.253 4.780 4.527 -0.000 0.000 0.302 52 F C 0.631 176.400 175.800 -0.051 0.000 1.097 52 F CA -0.929 57.059 58.000 -0.019 0.000 1.294 52 F CB 0.318 39.331 39.000 0.022 0.000 1.027 52 F HN -0.273 nan 8.300 nan 0.000 0.550 53 V N 0.731 120.723 119.914 0.130 0.000 2.775 53 V HA -0.018 4.102 4.120 -0.000 0.000 0.299 53 V C 0.053 176.224 176.094 0.128 0.000 1.062 53 V CA -0.497 61.873 62.300 0.118 0.000 1.063 53 V CB 0.562 32.447 31.823 0.103 0.000 0.994 53 V HN 0.091 nan 8.190 nan 0.000 0.483 54 Y N 4.579 125.002 120.300 0.204 0.000 2.326 54 Y HA 0.258 4.808 4.550 -0.000 0.000 0.333 54 Y C -1.778 174.224 175.900 0.171 0.000 1.240 54 Y CA -1.566 56.669 58.100 0.224 0.000 1.365 54 Y CB 0.463 39.043 38.460 0.200 0.000 1.289 54 Y HN 0.479 nan 8.280 nan 0.000 0.548 55 P HA 0.066 nan 4.420 nan 0.000 0.274 55 P C -1.072 176.327 177.300 0.165 0.000 1.237 55 P CA -0.300 62.932 63.100 0.220 0.000 0.793 55 P CB 0.934 32.757 31.700 0.205 0.000 0.977 56 S N 1.453 117.218 115.700 0.108 0.000 2.519 56 S HA 0.585 5.055 4.470 -0.000 0.000 0.309 56 S C -1.264 173.366 174.600 0.049 0.000 1.100 56 S CA -0.616 57.623 58.200 0.064 0.000 1.059 56 S CB -0.090 63.133 63.200 0.038 0.000 1.008 56 S HN 0.283 nan 8.310 nan 0.000 0.478 57 L N 5.306 126.548 121.223 0.031 0.000 2.287 57 L HA 0.702 5.042 4.340 -0.000 0.000 0.287 57 L C -0.573 176.317 176.870 0.034 0.000 1.022 57 L CA 0.368 55.230 54.840 0.036 0.000 0.814 57 L CB 1.548 43.633 42.059 0.043 0.000 1.217 57 L HN 0.671 nan 8.230 nan 0.000 0.420 58 T N 4.402 118.998 114.554 0.070 0.000 2.824 58 T HA 0.696 5.046 4.350 -0.000 0.000 0.282 58 T C -0.966 173.815 174.700 0.136 0.000 0.993 58 T CA -0.462 61.720 62.100 0.137 0.000 0.967 58 T CB 1.703 70.697 68.868 0.210 0.000 0.960 58 T HN 0.322 nan 8.240 nan 0.000 0.441 59 V N 3.280 123.315 119.914 0.202 0.000 2.531 59 V HA 0.575 4.695 4.120 -0.000 0.000 0.301 59 V C -0.056 176.229 176.094 0.320 0.000 1.034 59 V CA -0.696 61.748 62.300 0.239 0.000 0.865 59 V CB 2.086 34.063 31.823 0.256 0.000 0.995 59 V HN 1.002 nan 8.190 nan 0.000 0.424 60 T N 3.748 118.467 114.554 0.275 0.000 2.885 60 T HA 0.582 4.932 4.350 -0.000 0.000 0.285 60 T C -1.447 173.352 174.700 0.165 0.000 1.019 60 T CA -0.398 61.836 62.100 0.223 0.000 1.010 60 T CB 1.778 70.772 68.868 0.210 0.000 1.022 60 T HN 0.679 nan 8.240 nan 0.000 0.466 61 W N 3.757 124.923 121.300 -0.224 0.000 2.900 61 W HA 0.368 5.028 4.660 -0.000 0.000 0.336 61 W C 0.480 176.891 176.519 -0.180 0.000 1.064 61 W CA -1.403 55.730 57.345 -0.353 0.000 1.237 61 W CB 1.260 30.117 29.460 -1.005 0.000 1.391 61 W HN 0.782 nan 8.180 nan 0.000 0.468 62 D N 2.289 122.378 120.400 -0.519 0.000 2.224 62 D HA 0.055 4.695 4.640 -0.000 0.000 0.205 62 D C 1.484 177.265 176.300 -0.865 0.000 0.965 62 D CA 1.365 55.049 54.000 -0.527 0.000 0.852 62 D CB 0.026 40.627 40.800 -0.332 0.000 0.947 62 D HN 0.880 nan 8.370 nan 0.000 0.494 63 G N -0.112 107.571 108.800 -1.861 0.000 2.238 63 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 63 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 63 G C 0.228 174.560 174.900 -0.946 0.000 0.996 63 G CA 0.158 44.099 45.100 -1.932 0.000 0.632 63 G HN 0.408 nan 8.290 nan 0.000 0.503 64 S N 1.362 116.729 115.700 -0.554 0.000 2.489 64 S HA 0.713 5.183 4.470 -0.000 0.000 0.277 64 S C -0.085 174.548 174.600 0.054 0.000 1.230 64 S CA 0.466 58.568 58.200 -0.164 0.000 1.053 64 S CB 1.693 64.812 63.200 -0.135 0.000 0.955 64 S HN 0.628 nan 8.310 nan 0.000 0.488 65 T N 2.048 116.677 114.554 0.125 0.000 3.225 65 T HA 0.184 4.534 4.350 -0.000 0.000 0.356 65 T C 1.044 175.782 174.700 0.062 0.000 1.460 65 T CA -0.788 61.395 62.100 0.138 0.000 1.126 65 T CB 1.445 70.455 68.868 0.236 0.000 1.321 65 T HN 0.452 nan 8.240 nan 0.000 0.478 66 T N 2.576 117.140 114.554 0.017 0.000 2.380 66 T HA -0.126 4.224 4.350 -0.000 0.000 0.239 66 T C 0.878 175.575 174.700 -0.004 0.000 1.367 66 T CA 1.605 63.704 62.100 -0.001 0.000 1.235 66 T CB -0.303 68.554 68.868 -0.018 0.000 0.864 66 T HN 0.814 nan 8.240 nan 0.000 0.396 67 N N 1.962 120.642 118.700 -0.034 0.000 2.648 67 N HA 0.364 5.104 4.740 -0.000 0.000 0.261 67 N C -3.528 171.922 175.510 -0.100 0.000 1.138 67 N CA -1.311 51.714 53.050 -0.042 0.000 0.804 67 N CB 1.204 39.670 38.487 -0.035 0.000 1.237 67 N HN 0.162 nan 8.380 nan 0.000 0.532 68 P HA 0.304 nan 4.420 nan 0.000 0.272 68 P C -2.549 174.640 177.300 -0.184 0.000 1.240 68 P CA -0.894 62.025 63.100 -0.303 0.000 0.791 68 P CB -0.115 31.397 31.700 -0.314 0.000 0.978 69 P HA 0.052 nan 4.420 nan 0.000 0.267 69 P C 0.355 177.614 177.300 -0.069 0.000 1.328 69 P CA 0.209 63.238 63.100 -0.118 0.000 0.990 69 P CB 0.083 31.709 31.700 -0.123 0.000 1.168 70 K N 0.980 121.347 120.400 -0.055 0.000 2.365 70 K HA 0.001 4.321 4.320 -0.000 0.000 0.197 70 K C 1.410 177.981 176.600 -0.048 0.000 1.042 70 K CA 1.176 57.444 56.287 -0.032 0.000 0.987 70 K CB -0.375 32.114 32.500 -0.017 0.000 0.779 70 K HN 0.433 nan 8.250 nan 0.000 0.484 71 T N -2.376 112.138 114.554 -0.067 0.000 2.990 71 T HA 0.124 4.474 4.350 -0.000 0.000 0.250 71 T C 1.018 175.654 174.700 -0.107 0.000 1.041 71 T CA -0.390 61.666 62.100 -0.073 0.000 1.010 71 T CB 0.335 69.167 68.868 -0.061 0.000 1.003 71 T HN -0.020 nan 8.240 nan 0.000 0.499 72 R N 0.839 121.249 120.500 -0.150 0.000 2.623 72 R HA 0.436 4.776 4.340 -0.000 0.000 0.271 72 R C 1.500 177.653 176.300 -0.246 0.000 1.043 72 R CA 0.479 56.427 56.100 -0.254 0.000 1.083 72 R CB 0.263 30.364 30.300 -0.331 0.000 0.974 72 R HN 0.271 nan 8.270 nan 0.000 0.436 73 A N 4.925 127.572 122.820 -0.289 0.000 1.970 73 A HA 0.043 4.363 4.320 -0.000 0.000 0.216 73 A C 0.243 177.815 177.584 -0.021 0.000 1.170 73 A CA 0.859 52.836 52.037 -0.101 0.000 0.645 73 A CB -0.250 18.796 19.000 0.077 0.000 0.816 73 A HN 0.665 nan 8.150 nan 0.000 0.447 74 F N -4.854 115.073 119.950 -0.038 0.000 2.790 74 F HA 0.661 5.188 4.527 -0.000 0.000 0.337 74 F C 0.869 176.589 175.800 -0.135 0.000 1.163 74 F CA -1.304 56.654 58.000 -0.069 0.000 0.997 74 F CB 0.396 39.376 39.000 -0.033 0.000 1.437 74 F HN 0.411 nan 8.300 nan 0.000 0.512 75 G N 1.271 110.151 108.800 0.134 0.000 2.323 75 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.292 75 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.292 75 G C -0.287 174.417 174.900 -0.327 0.000 1.040 75 G CA 0.244 45.289 45.100 -0.092 0.000 0.942 75 G HN 0.791 nan 8.290 nan 0.000 0.506 76 R N -1.752 118.478 120.500 -0.449 0.000 2.892 76 R HA 0.753 5.093 4.340 -0.000 0.000 0.265 76 R C -0.998 174.754 176.300 -0.914 0.000 1.025 76 R CA -0.900 54.880 56.100 -0.533 0.000 0.982 76 R CB 1.137 31.303 30.300 -0.223 0.000 1.185 76 R HN 0.060 nan 8.270 nan 0.000 0.484 77 F N -0.436 119.039 119.950 -0.792 0.000 2.467 77 F HA 0.291 4.818 4.527 -0.000 0.000 0.336 77 F C 1.139 176.718 175.800 -0.367 0.000 1.123 77 F CA -0.489 57.026 58.000 -0.808 0.000 0.964 77 F CB 2.331 40.508 39.000 -1.372 0.000 1.136 77 F HN 0.473 nan 8.300 nan 0.000 0.447 78 T N 0.663 115.209 114.554 -0.013 0.000 3.054 78 T HA 0.027 4.377 4.350 -0.000 0.000 0.259 78 T C -0.427 174.465 174.700 0.320 0.000 1.092 78 T CA 0.955 63.133 62.100 0.131 0.000 1.121 78 T CB -0.355 68.616 68.868 0.173 0.000 0.912 78 T HN 0.745 nan 8.240 nan 0.000 0.489 79 H N -1.702 117.637 119.070 0.447 0.000 2.932 79 H HA 0.733 5.289 4.556 -0.000 0.000 0.307 79 H C -0.941 174.740 175.328 0.589 0.000 1.391 79 H CA -1.156 55.167 56.048 0.458 0.000 1.130 79 H CB 0.460 30.382 29.762 0.266 0.000 1.836 79 H HN -0.023 nan 8.280 nan 0.000 0.522 80 A N 0.260 123.379 122.820 0.499 0.000 2.304 80 A HA 0.787 5.107 4.320 -0.000 0.000 0.271 80 A C 0.890 178.641 177.584 0.279 0.000 1.091 80 A CA 0.453 52.631 52.037 0.235 0.000 0.812 80 A CB -0.390 18.514 19.000 -0.160 0.000 1.056 80 A HN 1.839 nan 8.150 nan 0.000 0.489 81 G N -0.792 108.077 108.800 0.114 0.000 2.325 81 G HA2 0.386 4.346 3.960 -0.000 0.000 0.285 81 G HA3 0.386 4.346 3.960 -0.000 0.000 0.285 81 G C -0.672 174.185 174.900 -0.071 0.000 1.303 81 G CA -0.174 44.910 45.100 -0.026 0.000 0.970 81 G HN 1.201 nan 8.290 nan 0.000 0.490 82 S N -0.400 115.144 115.700 -0.260 0.000 2.475 82 S HA 0.758 5.228 4.470 -0.000 0.000 0.298 82 S C -1.419 173.045 174.600 -0.226 0.000 1.119 82 S CA -0.275 57.830 58.200 -0.159 0.000 1.085 82 S CB 1.079 64.066 63.200 -0.356 0.000 1.028 82 S HN 0.495 nan 8.310 nan 0.000 0.489 83 Y N 0.861 121.254 120.300 0.155 0.000 2.350 83 Y HA 0.613 5.163 4.550 0.000 0.000 0.338 83 Y C 0.617 176.598 175.900 0.135 0.000 0.961 83 Y CA -0.609 57.578 58.100 0.144 0.000 1.100 83 Y CB 2.015 40.526 38.460 0.084 0.000 1.179 83 Y HN 0.558 nan 8.280 nan 0.000 0.454 84 T N 1.079 115.776 114.554 0.240 0.000 2.887 84 T HA 0.795 5.145 4.350 -0.000 0.000 0.292 84 T C -1.220 173.461 174.700 -0.031 0.000 1.087 84 T CA -0.419 61.738 62.100 0.095 0.000 1.009 84 T CB 1.869 70.761 68.868 0.040 0.000 1.203 84 T HN 0.693 nan 8.240 nan 0.000 0.518 85 T N 1.087 115.599 114.554 -0.070 0.000 3.128 85 T HA 0.478 4.828 4.350 -0.000 0.000 0.363 85 T C -0.646 174.012 174.700 -0.070 0.000 1.610 85 T CA -0.224 61.819 62.100 -0.095 0.000 1.126 85 T CB 0.789 69.565 68.868 -0.155 0.000 1.416 85 T HN 1.014 nan 8.240 nan 0.000 0.480 86 T N 2.741 117.248 114.554 -0.079 0.000 2.868 86 T HA 0.744 5.094 4.350 -0.000 0.000 0.292 86 T C 0.224 174.849 174.700 -0.124 0.000 1.028 86 T CA -0.612 61.450 62.100 -0.063 0.000 1.059 86 T CB 0.394 69.193 68.868 -0.116 0.000 0.991 86 T HN 0.587 nan 8.240 nan 0.000 0.531 87 I N 0.511 121.039 120.570 -0.070 0.000 2.730 87 I HA 0.535 4.705 4.170 -0.000 0.000 0.298 87 I C -0.030 176.039 176.117 -0.080 0.000 1.089 87 I CA -0.848 60.392 61.300 -0.099 0.000 1.041 87 I CB 2.662 40.648 38.000 -0.023 0.000 1.235 87 I HN 0.798 nan 8.210 nan 0.000 0.423 88 T N 3.668 118.104 114.554 -0.195 0.000 2.896 88 T HA 0.408 4.758 4.350 -0.000 0.000 0.297 88 T C -0.634 173.833 174.700 -0.389 0.000 1.108 88 T CA -0.484 61.447 62.100 -0.282 0.000 1.004 88 T CB 0.983 69.841 68.868 -0.017 0.000 1.159 88 T HN 0.622 nan 8.240 nan 0.000 0.499 89 R N 1.262 121.277 120.500 -0.808 0.000 3.038 89 R HA -0.133 4.207 4.340 -0.000 0.000 0.242 89 R C -2.304 173.978 176.300 -0.029 0.000 0.866 89 R CA 0.441 56.366 56.100 -0.291 0.000 0.601 89 R CB -2.019 28.299 30.300 0.030 0.000 1.107 89 R HN 0.588 nan 8.270 nan 0.000 0.492 90 P HA -0.117 nan 4.420 nan 0.000 0.218 90 P C 1.295 178.648 177.300 0.089 0.000 1.148 90 P CA 1.162 64.294 63.100 0.054 0.000 0.822 90 P CB 0.205 31.931 31.700 0.043 0.000 0.784 91 T N -0.023 114.569 114.554 0.064 0.000 2.701 91 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 91 T C 1.649 176.344 174.700 -0.008 0.000 1.040 91 T CA 1.041 63.166 62.100 0.043 0.000 1.147 91 T CB -0.981 67.916 68.868 0.050 0.000 0.865 91 T HN 0.021 nan 8.240 nan 0.000 0.426 92 L N 0.452 121.635 121.223 -0.067 0.000 2.079 92 L HA 0.020 4.360 4.340 -0.000 0.000 0.210 92 L C 1.197 177.843 176.870 -0.373 0.000 1.081 92 L CA 1.803 56.489 54.840 -0.256 0.000 0.752 92 L CB -0.682 41.139 42.059 -0.397 0.000 0.896 92 L HN 0.212 nan 8.230 nan 0.000 0.433 93 F N -1.109 118.833 119.950 -0.015 0.000 2.645 93 F HA 0.241 4.768 4.527 -0.000 0.000 0.300 93 F C 2.055 177.884 175.800 0.048 0.000 1.115 93 F CA -0.120 57.899 58.000 0.031 0.000 1.355 93 F CB -0.357 38.675 39.000 0.053 0.000 1.026 93 F HN 0.003 nan 8.300 nan 0.000 0.536 94 R N 0.644 121.214 120.500 0.118 0.000 2.097 94 R HA -0.187 4.153 4.340 -0.000 0.000 0.236 94 R C 2.246 178.578 176.300 0.053 0.000 1.135 94 R CA 2.397 58.541 56.100 0.072 0.000 0.934 94 R CB -0.713 29.609 30.300 0.036 0.000 0.846 94 R HN 0.146 nan 8.270 nan 0.000 0.431 95 S N -0.457 115.273 115.700 0.049 0.000 2.359 95 S HA -0.237 4.233 4.470 -0.000 0.000 0.222 95 S C 1.636 176.251 174.600 0.024 0.000 1.038 95 S CA 1.561 59.780 58.200 0.032 0.000 1.051 95 S CB -0.854 62.369 63.200 0.039 0.000 0.944 95 S HN 0.472 nan 8.310 nan 0.000 0.433 96 Y N 2.463 122.739 120.300 -0.040 0.000 2.030 96 Y HA -0.205 4.345 4.550 -0.000 0.000 0.274 96 Y C 2.088 177.874 175.900 -0.190 0.000 1.153 96 Y CA 1.484 59.531 58.100 -0.089 0.000 1.115 96 Y CB -0.798 37.682 38.460 0.032 0.000 0.969 96 Y HN 0.133 nan 8.280 nan 0.000 0.488 97 L N 0.135 121.252 121.223 -0.177 0.000 2.043 97 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 97 L C 2.375 179.051 176.870 -0.323 0.000 1.075 97 L CA 1.921 56.562 54.840 -0.331 0.000 0.752 97 L CB -0.838 41.207 42.059 -0.023 0.000 0.891 97 L HN 0.353 nan 8.230 nan 0.000 0.432 98 N N 0.207 118.802 118.700 -0.175 0.000 2.039 98 N HA -0.270 4.470 4.740 -0.000 0.000 0.193 98 N C 1.836 177.235 175.510 -0.185 0.000 1.044 98 N CA 1.793 54.760 53.050 -0.139 0.000 0.847 98 N CB -0.086 38.357 38.487 -0.073 0.000 1.030 98 N HN 0.277 nan 8.380 nan 0.000 0.422 99 E N -0.632 119.442 120.200 -0.209 0.000 2.058 99 E HA -0.266 4.084 4.350 -0.000 0.000 0.194 99 E C 1.710 178.142 176.600 -0.280 0.000 0.997 99 E CA 1.170 57.451 56.400 -0.198 0.000 0.801 99 E CB -0.017 29.575 29.700 -0.180 0.000 0.746 99 E HN 0.430 nan 8.360 nan 0.000 0.450 100 Q N 0.319 119.788 119.800 -0.553 0.000 2.050 100 Q HA -0.132 4.208 4.340 -0.000 0.000 0.202 100 Q C 2.488 178.263 176.000 -0.373 0.000 0.980 100 Q CA 1.041 56.441 55.803 -0.672 0.000 0.840 100 Q CB -0.405 27.391 28.738 -1.569 0.000 0.898 100 Q HN 0.415 nan 8.270 nan 0.000 0.424 101 L N 0.292 121.328 121.223 -0.313 0.000 2.083 101 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 101 L C 2.366 179.246 176.870 0.016 0.000 1.083 101 L CA 1.269 56.077 54.840 -0.053 0.000 0.752 101 L CB -0.621 41.411 42.059 -0.045 0.000 0.899 101 L HN 0.225 nan 8.230 nan 0.000 0.433 102 T N 0.325 114.862 114.554 -0.029 0.000 2.708 102 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 102 T C 1.970 176.735 174.700 0.108 0.000 1.037 102 T CA 1.246 63.379 62.100 0.056 0.000 1.146 102 T CB -0.253 68.621 68.868 0.010 0.000 0.865 102 T HN 0.189 nan 8.240 nan 0.000 0.435 103 L N 0.464 121.711 121.223 0.039 0.000 2.012 103 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 103 L C 2.493 179.433 176.870 0.117 0.000 1.073 103 L CA 1.328 56.200 54.840 0.053 0.000 0.748 103 L CB -0.640 41.426 42.059 0.012 0.000 0.891 103 L HN 0.271 nan 8.230 nan 0.000 0.431 104 L N -2.095 119.189 121.223 0.103 0.000 2.141 104 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 104 L C 2.555 179.619 176.870 0.324 0.000 1.094 104 L CA 0.940 55.885 54.840 0.174 0.000 0.763 104 L CB -0.623 41.495 42.059 0.099 0.000 0.908 104 L HN 0.207 nan 8.230 nan 0.000 0.437 105 Y N 1.210 121.594 120.300 0.140 0.000 2.153 105 Y HA -0.213 4.337 4.550 -0.000 0.000 0.289 105 Y C 2.669 178.649 175.900 0.132 0.000 1.127 105 Y CA 1.585 59.768 58.100 0.138 0.000 1.131 105 Y CB -0.105 38.408 38.460 0.088 0.000 0.995 105 Y HN 0.164 nan 8.280 nan 0.000 0.505 106 Q N -0.959 118.925 119.800 0.139 0.000 2.269 106 Q HA -0.076 4.264 4.340 -0.000 0.000 0.201 106 Q C 1.033 177.037 176.000 0.007 0.000 0.946 106 Q CA 1.355 57.171 55.803 0.022 0.000 0.877 106 Q CB 0.090 28.872 28.738 0.074 0.000 0.963 106 Q HN 0.477 nan 8.270 nan 0.000 0.472 107 D N -1.041 119.393 120.400 0.057 0.000 2.327 107 D HA -0.023 4.617 4.640 -0.000 0.000 0.205 107 D C 0.433 176.632 176.300 -0.167 0.000 0.989 107 D CA 0.816 54.783 54.000 -0.055 0.000 0.873 107 D CB 0.316 41.086 40.800 -0.051 0.000 0.955 107 D HN 0.227 nan 8.370 nan 0.000 0.515 108 Y N -0.881 119.443 120.300 0.040 0.000 2.499 108 Y HA 0.321 4.871 4.550 -0.000 0.000 0.253 108 Y C 1.322 177.343 175.900 0.200 0.000 1.105 108 Y CA -0.106 58.067 58.100 0.122 0.000 1.240 108 Y CB 0.945 39.367 38.460 -0.063 0.000 1.289 108 Y HN -0.082 nan 8.280 nan 0.000 0.534 109 G N 1.685 110.603 108.800 0.196 0.000 2.333 109 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.296 109 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.296 109 G C 0.183 175.206 174.900 0.205 0.000 1.059 109 G CA 0.144 45.277 45.100 0.054 0.000 1.050 109 G HN 0.608 nan 8.290 nan 0.000 0.508 110 A N 0.023 123.020 122.820 0.296 0.000 2.322 110 A HA 0.643 4.963 4.320 -0.000 0.000 0.269 110 A C 0.296 178.102 177.584 0.370 0.000 1.094 110 A CA -0.043 52.207 52.037 0.355 0.000 0.807 110 A CB 0.483 19.716 19.000 0.388 0.000 1.047 110 A HN 1.323 nan 8.150 nan 0.000 0.487 111 H N 1.767 120.974 119.070 0.229 0.000 2.761 111 H HA 0.514 5.070 4.556 -0.000 0.000 0.284 111 H C -0.477 174.974 175.328 0.205 0.000 1.105 111 H CA -0.345 55.826 56.048 0.205 0.000 1.352 111 H CB -0.266 29.578 29.762 0.137 0.000 1.423 111 H HN 0.455 nan 8.280 nan 0.000 0.464 112 I N 4.197 124.681 120.570 -0.143 0.000 2.499 112 I HA 0.290 4.460 4.170 -0.000 0.000 0.296 112 I C -0.130 175.796 176.117 -0.319 0.000 0.992 112 I CA -0.475 60.739 61.300 -0.143 0.000 1.297 112 I CB 1.359 39.342 38.000 -0.029 0.000 1.410 112 I HN 0.707 nan 8.210 nan 0.000 0.507 113 S N 4.227 119.833 115.700 -0.157 0.000 2.543 113 S HA 0.690 5.160 4.470 -0.000 0.000 0.273 113 S C -1.115 173.488 174.600 0.004 0.000 1.152 113 S CA -0.812 57.334 58.200 -0.090 0.000 0.910 113 S CB 1.621 64.779 63.200 -0.070 0.000 1.105 113 S HN 0.264 nan 8.310 nan 0.000 0.465 114 V N 3.423 123.350 119.914 0.022 0.000 2.715 114 V HA 0.901 5.021 4.120 -0.000 0.000 0.310 114 V C -0.890 175.237 176.094 0.054 0.000 1.054 114 V CA -0.404 61.923 62.300 0.044 0.000 0.928 114 V CB 1.609 33.460 31.823 0.047 0.000 1.007 114 V HN 1.094 nan 8.190 nan 0.000 0.437 115 Q N 2.921 122.758 119.800 0.060 0.000 2.721 115 Q HA 0.445 4.785 4.340 -0.000 0.000 0.282 115 Q C -3.338 172.700 176.000 0.064 0.000 0.932 115 Q CA -1.998 53.840 55.803 0.058 0.000 0.816 115 Q CB 1.390 30.160 28.738 0.053 0.000 1.506 115 Q HN 0.379 nan 8.270 nan 0.000 0.399 116 P HA 0.068 nan 4.420 nan 0.000 0.268 116 P C -0.117 177.216 177.300 0.054 0.000 1.205 116 P CA 0.503 63.645 63.100 0.069 0.000 0.771 116 P CB 0.743 32.473 31.700 0.049 0.000 0.858 117 S N 2.590 118.341 115.700 0.086 0.000 2.646 117 S HA 0.206 4.676 4.470 -0.000 0.000 0.273 117 S C 0.657 175.250 174.600 -0.011 0.000 1.168 117 S CA -0.297 57.936 58.200 0.055 0.000 1.013 117 S CB 0.489 63.789 63.200 0.166 0.000 1.098 117 S HN 0.324 nan 8.310 nan 0.000 0.544 118 Q N 0.147 119.853 119.800 -0.157 0.000 2.198 118 Q HA 0.245 4.585 4.340 -0.000 0.000 0.209 118 Q C -0.617 175.195 176.000 -0.314 0.000 0.848 118 Q CA 0.131 55.784 55.803 -0.250 0.000 0.974 118 Q CB 0.001 28.539 28.738 -0.332 0.000 1.115 118 Q HN 0.639 nan 8.270 nan 0.000 0.494 119 H N 0.789 119.937 119.070 0.131 0.000 2.504 119 H HA 0.347 4.903 4.556 -0.000 0.000 0.322 119 H C -0.129 175.355 175.328 0.261 0.000 1.055 119 H CA -0.201 55.967 56.048 0.200 0.000 1.231 119 H CB 1.171 31.071 29.762 0.229 0.000 1.417 119 H HN 0.062 nan 8.280 nan 0.000 0.472 120 E N 2.833 123.219 120.200 0.310 0.000 2.313 120 E HA 0.249 4.599 4.350 -0.000 0.000 0.272 120 E C 0.239 176.940 176.600 0.169 0.000 1.038 120 E CA -0.632 55.904 56.400 0.226 0.000 0.863 120 E CB 1.767 31.616 29.700 0.248 0.000 1.060 120 E HN 0.441 nan 8.360 nan 0.000 0.402 121 I N 4.076 124.590 120.570 -0.095 0.000 2.452 121 I HA 0.089 4.259 4.170 -0.000 0.000 0.287 121 I C -2.118 174.008 176.117 0.016 0.000 1.079 121 I CA -1.948 59.213 61.300 -0.232 0.000 1.387 121 I CB 0.267 37.995 38.000 -0.454 0.000 1.404 121 I HN 0.123 nan 8.210 nan 0.000 0.522 122 P HA -0.074 nan 4.420 nan 0.000 0.267 122 P C 0.264 177.437 177.300 -0.213 0.000 1.209 122 P CA -0.006 63.044 63.100 -0.084 0.000 0.763 122 P CB 0.231 31.806 31.700 -0.209 0.000 0.816 123 Y N 5.846 126.022 120.300 -0.206 0.000 2.181 123 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 123 Y C -1.131 174.612 175.900 -0.261 0.000 1.179 123 Y CA 1.434 59.371 58.100 -0.271 0.000 1.179 123 Y CB -2.969 35.288 38.460 -0.339 0.000 0.973 123 Y HN 0.347 nan 8.280 nan 0.000 0.519 124 P HA -0.155 nan 4.420 nan 0.000 0.221 124 P C 0.578 177.720 177.300 -0.264 0.000 1.145 124 P CA 1.626 64.386 63.100 -0.567 0.000 0.795 124 P CB -0.300 30.908 31.700 -0.820 0.000 0.775 125 Y N -1.470 118.784 120.300 -0.077 0.000 2.490 125 Y HA 0.072 4.622 4.550 -0.000 0.000 0.281 125 Y C 1.728 177.627 175.900 -0.001 0.000 1.174 125 Y CA -0.281 57.813 58.100 -0.010 0.000 1.295 125 Y CB -0.926 37.570 38.460 0.061 0.000 1.062 125 Y HN -0.092 nan 8.280 nan 0.000 0.522 126 V N -3.376 116.586 119.914 0.079 0.000 3.427 126 V HA 0.306 4.426 4.120 -0.000 0.000 0.305 126 V C 0.634 176.723 176.094 -0.008 0.000 1.412 126 V CA -0.525 61.784 62.300 0.015 0.000 1.086 126 V CB -0.760 31.025 31.823 -0.064 0.000 0.964 126 V HN 0.029 nan 8.190 nan 0.000 0.439 135 D N -1.664 118.742 120.400 0.011 0.000 3.009 135 D HA 0.347 4.987 4.640 -0.000 0.000 0.318 135 D C 0.374 176.688 176.300 0.023 0.000 1.273 135 D CA -0.177 53.831 54.000 0.014 0.000 1.001 135 D CB 0.976 41.784 40.800 0.012 0.000 1.411 135 D HN 0.359 nan 8.370 nan 0.000 0.577 136 R N -0.362 120.153 120.500 0.024 0.000 2.167 136 R HA 0.248 4.588 4.340 -0.000 0.000 0.201 136 R C 0.890 177.212 176.300 0.038 0.000 1.024 136 R CA 0.115 56.232 56.100 0.028 0.000 1.053 136 R CB 0.051 30.364 30.300 0.021 0.000 0.987 136 R HN 0.381 nan 8.270 nan 0.000 0.493 140 A N 1.694 124.547 122.820 0.056 0.000 1.898 140 A HA 0.309 4.629 4.320 -0.000 0.000 0.216 140 A C 2.071 179.652 177.584 -0.006 0.000 1.181 140 A CA 2.077 54.130 52.037 0.026 0.000 0.620 140 A CB -1.261 17.759 19.000 0.033 0.000 0.819 140 A HN 0.560 nan 8.150 nan 0.000 0.442 141 G N -0.235 108.605 108.800 0.066 0.000 2.394 141 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.214 141 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.214 141 G C 1.562 176.390 174.900 -0.120 0.000 1.176 141 G CA 0.846 45.976 45.100 0.050 0.000 0.786 141 G HN 0.391 nan 8.290 nan 0.000 0.533 142 L N 1.235 122.422 121.223 -0.061 0.000 1.997 142 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 142 L C 3.321 180.225 176.870 0.056 0.000 1.074 142 L CA 2.069 56.862 54.840 -0.079 0.000 0.763 142 L CB -1.167 40.644 42.059 -0.413 0.000 0.890 142 L HN 0.449 nan 8.230 nan 0.000 0.434 143 T N -2.855 111.757 114.554 0.097 0.000 2.977 143 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 143 T C 1.877 176.559 174.700 -0.031 0.000 1.105 143 T CA 1.008 63.185 62.100 0.129 0.000 1.116 143 T CB -0.206 68.716 68.868 0.090 0.000 0.878 143 T HN 0.311 nan 8.240 nan 0.000 0.509 144 R N -0.677 119.701 120.500 -0.203 0.000 2.090 144 R HA 0.109 4.449 4.340 -0.000 0.000 0.219 144 R C 1.275 177.274 176.300 -0.502 0.000 1.100 144 R CA 0.676 56.520 56.100 -0.427 0.000 0.991 144 R CB 0.072 29.941 30.300 -0.718 0.000 0.893 144 R HN 0.497 nan 8.270 nan 0.000 0.443 145 Y N -1.474 118.675 120.300 -0.251 0.000 2.449 145 Y HA 0.298 4.848 4.550 -0.000 0.000 0.254 145 Y C -0.180 175.353 175.900 -0.612 0.000 1.140 145 Y CA -0.329 57.493 58.100 -0.463 0.000 1.272 145 Y CB 0.446 38.478 38.460 -0.713 0.000 1.114 145 Y HN -0.127 nan 8.280 nan 0.000 0.525 146 F N 0.047 119.993 119.950 -0.007 0.000 2.594 146 F HA 0.565 5.092 4.527 0.000 0.000 0.335 146 F C -2.380 173.481 175.800 0.102 0.000 1.058 146 F CA -3.338 54.672 58.000 0.018 0.000 0.981 146 F CB 0.703 39.617 39.000 -0.143 0.000 1.289 146 F HN -0.336 nan 8.300 nan 0.000 0.490 147 P HA 0.200 nan 4.420 nan 0.000 0.270 147 P C -0.813 176.581 177.300 0.157 0.000 1.242 147 P CA -0.038 63.193 63.100 0.218 0.000 0.768 147 P CB 0.402 32.220 31.700 0.196 0.000 0.820 148 T N 0.100 114.699 114.554 0.076 0.000 2.938 148 T HA 0.679 5.029 4.350 -0.000 0.000 0.285 148 T C 0.354 174.998 174.700 -0.092 0.000 1.028 148 T CA -0.741 61.318 62.100 -0.068 0.000 1.005 148 T CB 0.865 69.725 68.868 -0.014 0.000 1.157 148 T HN 0.331 nan 8.240 nan 0.000 0.550 169 S N 0.332 116.087 115.700 0.092 0.000 2.536 169 S HA 0.634 5.104 4.470 -0.000 0.000 0.271 169 S C -3.128 171.535 174.600 0.106 0.000 1.134 169 S CA -1.299 56.918 58.200 0.029 0.000 0.897 169 S CB 2.758 65.875 63.200 -0.139 0.000 1.094 169 S HN 0.123 nan 8.310 nan 0.000 0.473 170 P HA 0.088 nan 4.420 nan 0.000 0.264 170 P C 0.506 177.804 177.300 -0.003 0.000 1.193 170 P CA -0.289 62.818 63.100 0.012 0.000 0.763 170 P CB 0.405 32.082 31.700 -0.037 0.000 0.810 171 L N 3.532 124.680 121.223 -0.126 0.000 2.209 171 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 171 L C 0.684 177.203 176.870 -0.585 0.000 1.094 171 L CA 1.570 56.192 54.840 -0.364 0.000 0.790 171 L CB -0.359 41.386 42.059 -0.523 0.000 0.932 171 L HN 0.448 nan 8.230 nan 0.000 0.447 172 S N -3.493 111.971 115.700 -0.393 0.000 2.704 172 S HA 0.342 4.812 4.470 -0.000 0.000 0.296 172 S C 0.851 175.260 174.600 -0.319 0.000 1.138 172 S CA -0.600 57.431 58.200 -0.281 0.000 0.875 172 S CB 0.423 63.607 63.200 -0.027 0.000 1.151 172 S HN 0.244 nan 8.310 nan 0.000 0.500 173 H N -0.214 118.732 119.070 -0.207 0.000 2.357 173 H HA 0.212 4.768 4.556 -0.000 0.000 0.301 173 H C -0.320 174.591 175.328 -0.695 0.000 1.082 173 H CA 1.273 56.999 56.048 -0.537 0.000 1.342 173 H CB -0.091 29.147 29.762 -0.873 0.000 1.389 173 H HN 0.493 nan 8.280 nan 0.000 0.511 174 F N 1.204 121.187 119.950 0.055 0.000 2.561 174 F HA 0.234 4.761 4.527 -0.000 0.000 0.321 174 F C 0.111 175.839 175.800 -0.120 0.000 1.065 174 F CA -1.456 56.521 58.000 -0.039 0.000 0.934 174 F CB 1.338 40.294 39.000 -0.072 0.000 1.215 174 F HN -0.016 nan 8.300 nan 0.000 0.471 175 D N 0.435 120.856 120.400 0.036 0.000 2.385 175 D HA 0.535 5.175 4.640 -0.000 0.000 0.254 175 D C 0.917 177.084 176.300 -0.223 0.000 1.053 175 D CA -0.565 53.358 54.000 -0.128 0.000 0.992 175 D CB 0.962 41.652 40.800 -0.183 0.000 1.145 175 D HN 0.579 nan 8.370 nan 0.000 0.523 176 A N 0.434 123.008 122.820 -0.411 0.000 1.903 176 A HA -0.285 4.035 4.320 -0.000 0.000 0.219 176 A C 2.115 179.395 177.584 -0.506 0.000 1.191 176 A CA 1.553 53.209 52.037 -0.636 0.000 0.638 176 A CB -0.647 17.515 19.000 -1.396 0.000 0.823 176 A HN 0.529 nan 8.150 nan 0.000 0.451 177 R N -0.999 119.245 120.500 -0.426 0.000 2.080 177 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 177 R C 2.317 178.585 176.300 -0.054 0.000 1.137 177 R CA 1.752 57.797 56.100 -0.092 0.000 0.943 177 R CB -0.726 29.554 30.300 -0.034 0.000 0.846 177 R HN 0.533 nan 8.270 nan 0.000 0.431 178 R N 1.228 121.691 120.500 -0.062 0.000 2.096 178 R HA -0.066 4.274 4.340 -0.000 0.000 0.235 178 R C 2.098 178.392 176.300 -0.011 0.000 1.127 178 R CA 1.377 57.487 56.100 0.018 0.000 0.968 178 R CB -0.812 29.533 30.300 0.075 0.000 0.861 178 R HN 0.087 nan 8.270 nan 0.000 0.440 179 V N 0.994 120.839 119.914 -0.115 0.000 2.323 179 V HA -0.179 3.941 4.120 -0.000 0.000 0.244 179 V C 1.774 177.763 176.094 -0.176 0.000 1.041 179 V CA 2.132 64.335 62.300 -0.162 0.000 1.025 179 V CB -0.542 31.172 31.823 -0.181 0.000 0.656 179 V HN 0.296 nan 8.190 nan 0.000 0.451 180 D N -0.310 119.941 120.400 -0.249 0.000 2.117 180 D HA -0.183 4.457 4.640 -0.000 0.000 0.197 180 D C 1.911 177.832 176.300 -0.632 0.000 0.987 180 D CA 1.311 55.022 54.000 -0.481 0.000 0.829 180 D CB -0.275 40.084 40.800 -0.736 0.000 0.961 180 D HN 0.436 nan 8.370 nan 0.000 0.460 181 F N 1.818 121.398 119.950 -0.617 0.000 2.065 181 F HA -0.241 4.286 4.527 0.000 0.000 0.298 181 F C 2.404 178.075 175.800 -0.215 0.000 1.112 181 F CA 1.556 59.389 58.000 -0.278 0.000 1.212 181 F CB -0.390 38.580 39.000 -0.050 0.000 0.975 181 F HN -0.174 nan 8.300 nan 0.000 0.476 182 S N 0.721 116.246 115.700 -0.292 0.000 2.406 182 S HA -0.052 4.418 4.470 -0.000 0.000 0.228 182 S C 2.109 176.447 174.600 -0.438 0.000 1.020 182 S CA 1.099 59.052 58.200 -0.412 0.000 0.965 182 S CB -0.406 62.734 63.200 -0.101 0.000 0.798 182 S HN 0.377 nan 8.310 nan 0.000 0.488 183 L N 1.147 122.176 121.223 -0.324 0.000 2.017 183 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 183 L C 2.840 179.540 176.870 -0.284 0.000 1.073 183 L CA 1.283 55.954 54.840 -0.282 0.000 0.745 183 L CB -0.800 41.139 42.059 -0.201 0.000 0.894 183 L HN 0.312 nan 8.230 nan 0.000 0.432 184 A N 0.081 122.733 122.820 -0.280 0.000 1.883 184 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 184 A C 2.348 179.753 177.584 -0.300 0.000 1.186 184 A CA 1.995 53.904 52.037 -0.213 0.000 0.624 184 A CB -0.517 18.418 19.000 -0.108 0.000 0.822 184 A HN 0.240 nan 8.150 nan 0.000 0.444 185 R N -0.599 119.594 120.500 -0.512 0.000 2.096 185 R HA 0.052 4.392 4.340 -0.000 0.000 0.235 185 R C 2.064 178.117 176.300 -0.411 0.000 1.127 185 R CA 1.085 56.800 56.100 -0.642 0.000 0.968 185 R CB -0.655 28.911 30.300 -1.224 0.000 0.861 185 R HN 0.587 nan 8.270 nan 0.000 0.440 186 L N -0.096 120.925 121.223 -0.336 0.000 2.012 186 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 186 L C 2.610 179.455 176.870 -0.041 0.000 1.073 186 L CA 1.667 56.427 54.840 -0.134 0.000 0.748 186 L CB -0.303 41.578 42.059 -0.296 0.000 0.891 186 L HN 0.234 nan 8.230 nan 0.000 0.431 187 R N -1.021 119.424 120.500 -0.091 0.000 2.081 187 R HA -0.259 4.081 4.340 -0.000 0.000 0.235 187 R C 2.407 178.691 176.300 -0.028 0.000 1.131 187 R CA 1.873 57.950 56.100 -0.038 0.000 0.960 187 R CB -0.315 29.950 30.300 -0.058 0.000 0.856 187 R HN 0.417 nan 8.270 nan 0.000 0.436 188 H N -0.611 118.349 119.070 -0.184 0.000 2.321 188 H HA -0.169 4.387 4.556 -0.000 0.000 0.300 188 H C 1.285 176.545 175.328 -0.113 0.000 1.087 188 H CA 2.307 58.228 56.048 -0.211 0.000 1.319 188 H CB -0.304 29.191 29.762 -0.445 0.000 1.379 188 H HN 0.270 nan 8.280 nan 0.000 0.501 189 Y N -0.632 119.546 120.300 -0.203 0.000 2.337 189 Y HA 0.004 4.554 4.550 -0.000 0.000 0.293 189 Y C 2.815 178.648 175.900 -0.112 0.000 1.123 189 Y CA 1.419 59.392 58.100 -0.213 0.000 1.201 189 Y CB -0.466 37.948 38.460 -0.076 0.000 1.011 189 Y HN 0.245 nan 8.280 nan 0.000 0.545 190 T N -1.667 112.914 114.554 0.045 0.000 3.009 190 T HA 0.137 4.487 4.350 -0.000 0.000 0.258 190 T C 1.504 175.926 174.700 -0.463 0.000 1.063 190 T CA 1.055 63.103 62.100 -0.087 0.000 1.139 190 T CB -0.632 68.335 68.868 0.165 0.000 0.890 190 T HN 0.511 nan 8.240 nan 0.000 0.471 191 G N 1.910 110.342 108.800 -0.614 0.000 2.272 191 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.280 191 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.280 191 G C 0.115 174.710 174.900 -0.508 0.000 1.067 191 G CA 0.380 44.800 45.100 -1.133 0.000 0.902 191 G HN 0.558 nan 8.290 nan 0.000 0.500 192 T N -0.039 114.386 114.554 -0.215 0.000 2.982 192 T HA 0.540 4.890 4.350 -0.000 0.000 0.321 192 T C -2.988 171.732 174.700 0.034 0.000 1.229 192 T CA -0.774 61.296 62.100 -0.051 0.000 1.044 192 T CB 2.990 71.872 68.868 0.024 0.000 1.184 192 T HN 0.003 nan 8.240 nan 0.000 0.477 193 P HA 0.133 nan 4.420 nan 0.000 0.276 193 P C 1.330 178.580 177.300 -0.084 0.000 1.230 193 P CA -0.519 62.471 63.100 -0.185 0.000 0.776 193 P CB 0.532 31.948 31.700 -0.474 0.000 0.888 194 V N 1.517 121.396 119.914 -0.059 0.000 2.568 194 V HA -0.215 3.905 4.120 -0.000 0.000 0.253 194 V C 1.504 177.577 176.094 -0.036 0.000 1.072 194 V CA 1.779 64.052 62.300 -0.047 0.000 1.084 194 V CB -1.286 30.388 31.823 -0.249 0.000 0.676 194 V HN 0.516 nan 8.190 nan 0.000 0.469 195 E N 0.371 120.476 120.200 -0.158 0.000 2.516 195 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 195 E C 1.514 178.140 176.600 0.044 0.000 1.069 195 E CA 1.322 57.657 56.400 -0.109 0.000 0.876 195 E CB -1.106 28.519 29.700 -0.124 0.000 0.843 195 E HN 0.891 nan 8.360 nan 0.000 0.530 196 H N -0.918 118.128 119.070 -0.039 0.000 2.592 196 H HA 0.213 4.769 4.556 -0.000 0.000 0.265 196 H C -0.140 174.899 175.328 -0.481 0.000 0.955 196 H CA -0.633 55.318 56.048 -0.161 0.000 1.175 196 H CB 0.135 29.817 29.762 -0.132 0.000 1.433 196 H HN 0.010 nan 8.280 nan 0.000 0.537 197 F N 2.765 122.439 119.950 -0.461 0.000 2.578 197 F HA -0.041 4.486 4.527 -0.000 0.000 0.376 197 F C 0.746 176.520 175.800 -0.043 0.000 1.085 197 F CA -0.062 57.746 58.000 -0.320 0.000 1.260 197 F CB 0.567 39.482 39.000 -0.141 0.000 1.095 197 F HN 0.131 nan 8.300 nan 0.000 0.573 198 Q N 5.254 125.185 119.800 0.218 0.000 2.205 198 Q HA 0.239 4.579 4.340 -0.000 0.000 0.249 198 Q C -1.647 174.471 176.000 0.198 0.000 0.948 198 Q CA -2.012 53.930 55.803 0.233 0.000 0.895 198 Q CB 0.760 29.683 28.738 0.307 0.000 1.249 198 Q HN 0.292 nan 8.270 nan 0.000 0.458 199 P HA -0.038 nan 4.420 nan 0.000 0.223 199 P C -0.515 176.564 177.300 -0.370 0.000 1.151 199 P CA 1.062 64.068 63.100 -0.156 0.000 0.787 199 P CB 0.214 31.739 31.700 -0.293 0.000 0.788 200 F N -0.593 119.433 119.950 0.127 0.000 2.361 200 F HA 0.268 4.795 4.527 0.000 0.000 0.364 200 F C 0.240 176.086 175.800 0.076 0.000 1.117 200 F CA -1.090 56.973 58.000 0.105 0.000 1.071 200 F CB 0.797 39.865 39.000 0.113 0.000 1.188 200 F HN -0.408 nan 8.300 nan 0.000 0.464 201 V N 4.751 124.742 119.914 0.128 0.000 2.547 201 V HA 0.499 4.619 4.120 -0.000 0.000 0.299 201 V C -0.531 175.452 176.094 -0.185 0.000 1.040 201 V CA -0.766 61.506 62.300 -0.047 0.000 0.913 201 V CB 1.946 33.696 31.823 -0.121 0.000 0.992 201 V HN 0.418 nan 8.190 nan 0.000 0.449 202 L N 4.260 125.293 121.223 -0.316 0.000 2.385 202 L HA 0.659 4.999 4.340 -0.000 0.000 0.273 202 L C -0.994 175.659 176.870 -0.362 0.000 0.990 202 L CA -0.052 54.610 54.840 -0.297 0.000 0.821 202 L CB 1.622 43.529 42.059 -0.253 0.000 1.279 202 L HN 0.428 nan 8.230 nan 0.000 0.412 203 F N 1.214 121.095 119.950 -0.115 0.000 2.495 203 F HA 0.777 5.304 4.527 -0.000 0.000 0.327 203 F C 0.445 176.127 175.800 -0.197 0.000 1.103 203 F CA -0.748 57.163 58.000 -0.149 0.000 0.949 203 F CB 2.242 41.144 39.000 -0.165 0.000 1.142 203 F HN 0.447 nan 8.300 nan 0.000 0.457 204 T N -1.064 113.502 114.554 0.019 0.000 2.909 204 T HA 0.377 4.727 4.350 -0.000 0.000 0.299 204 T C -0.238 174.428 174.700 -0.056 0.000 1.073 204 T CA -0.947 61.059 62.100 -0.156 0.000 0.999 204 T CB 1.753 70.428 68.868 -0.321 0.000 1.098 204 T HN 0.490 nan 8.240 nan 0.000 0.477 205 N N 0.283 118.936 118.700 -0.079 0.000 2.234 205 N HA 0.143 4.883 4.740 -0.000 0.000 0.227 205 N C -0.976 174.592 175.510 0.096 0.000 1.151 205 N CA -0.474 52.582 53.050 0.009 0.000 0.865 205 N CB -0.026 38.462 38.487 -0.000 0.000 1.066 205 N HN 0.655 nan 8.380 nan 0.000 0.515 206 Y N 0.205 120.444 120.300 -0.102 0.000 2.331 206 Y HA 0.364 4.914 4.550 -0.000 0.000 0.326 206 Y C 1.251 177.214 175.900 0.105 0.000 1.020 206 Y CA -1.090 56.992 58.100 -0.030 0.000 1.136 206 Y CB 1.508 39.878 38.460 -0.150 0.000 1.157 206 Y HN -0.100 nan 8.280 nan 0.000 0.444 207 T N 4.217 118.600 114.554 -0.285 0.000 2.649 207 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 207 T C 1.997 176.451 174.700 -0.410 0.000 1.036 207 T CA 2.075 63.957 62.100 -0.363 0.000 1.157 207 T CB -0.008 68.508 68.868 -0.587 0.000 0.861 207 T HN 0.625 nan 8.240 nan 0.000 0.445 208 R N -0.443 119.613 120.500 -0.739 0.000 2.211 208 R HA -0.117 4.223 4.340 -0.000 0.000 0.240 208 R C 2.096 178.213 176.300 -0.306 0.000 1.144 208 R CA 1.247 57.033 56.100 -0.523 0.000 0.992 208 R CB -0.456 29.480 30.300 -0.606 0.000 0.869 208 R HN 0.574 nan 8.270 nan 0.000 0.462 209 Y N -0.414 119.764 120.300 -0.204 0.000 2.293 209 Y HA -0.208 4.342 4.550 -0.000 0.000 0.291 209 Y C 2.427 178.270 175.900 -0.095 0.000 1.137 209 Y CA 1.327 59.373 58.100 -0.090 0.000 1.202 209 Y CB -0.228 38.189 38.460 -0.072 0.000 0.990 209 Y HN -0.055 nan 8.280 nan 0.000 0.537 210 V N -1.843 118.063 119.914 -0.013 0.000 2.488 210 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 210 V C 1.731 177.706 176.094 -0.199 0.000 1.046 210 V CA 2.000 64.194 62.300 -0.178 0.000 1.053 210 V CB -0.350 31.200 31.823 -0.456 0.000 0.679 210 V HN 0.199 nan 8.190 nan 0.000 0.458 211 D N 0.661 120.964 120.400 -0.161 0.000 2.092 211 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 211 D C 2.133 178.379 176.300 -0.089 0.000 0.994 211 D CA 2.200 56.117 54.000 -0.137 0.000 0.828 211 D CB -0.200 40.516 40.800 -0.140 0.000 0.963 211 D HN 0.648 nan 8.370 nan 0.000 0.450 212 E N 0.058 120.217 120.200 -0.068 0.000 2.110 212 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 212 E C 1.876 178.513 176.600 0.063 0.000 0.988 212 E CA 0.601 56.988 56.400 -0.022 0.000 0.804 212 E CB -0.450 29.211 29.700 -0.064 0.000 0.745 212 E HN 0.238 nan 8.360 nan 0.000 0.458 213 F N -0.244 119.658 119.950 -0.080 0.000 2.113 213 F HA -0.101 4.426 4.527 -0.000 0.000 0.297 213 F C 1.991 177.796 175.800 0.008 0.000 1.103 213 F CA 1.183 59.167 58.000 -0.026 0.000 1.248 213 F CB -0.451 38.499 39.000 -0.084 0.000 0.999 213 F HN -0.068 nan 8.300 nan 0.000 0.475 214 V N 1.237 121.072 119.914 -0.133 0.000 2.343 214 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 214 V C 2.652 178.632 176.094 -0.190 0.000 1.051 214 V CA 2.215 64.373 62.300 -0.237 0.000 1.036 214 V CB -0.793 30.894 31.823 -0.227 0.000 0.654 214 V HN 0.310 nan 8.190 nan 0.000 0.451 215 R N -1.152 119.285 120.500 -0.105 0.000 2.082 215 R HA -0.272 4.068 4.340 -0.000 0.000 0.234 215 R C 2.224 178.480 176.300 -0.072 0.000 1.136 215 R CA 2.599 58.656 56.100 -0.072 0.000 0.935 215 R CB -0.554 29.730 30.300 -0.027 0.000 0.842 215 R HN 0.628 nan 8.270 nan 0.000 0.430 216 W N 0.948 122.116 121.300 -0.221 0.000 2.342 216 W HA -0.101 4.559 4.660 -0.000 0.000 0.297 216 W C 1.803 178.126 176.519 -0.327 0.000 1.213 216 W CA 1.973 59.180 57.345 -0.231 0.000 1.251 216 W CB -0.652 28.681 29.460 -0.211 0.000 1.136 216 W HN 0.258 nan 8.180 nan 0.000 0.526 217 G N -0.174 108.380 108.800 -0.411 0.000 2.414 217 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.215 217 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.215 217 G C 1.407 175.992 174.900 -0.525 0.000 1.188 217 G CA 1.477 46.173 45.100 -0.674 0.000 0.783 217 G HN 0.359 nan 8.290 nan 0.000 0.537 218 C N 0.387 119.478 119.300 -0.349 0.000 2.413 218 C HA -0.066 4.394 4.460 -0.000 0.000 0.276 218 C C 3.368 178.198 174.990 -0.267 0.000 1.248 218 C CA 1.419 60.282 59.018 -0.257 0.000 1.742 218 C CB -0.922 26.713 27.740 -0.175 0.000 2.017 218 C HN 0.499 nan 8.230 nan 0.000 0.481 219 S N -0.219 115.305 115.700 -0.294 0.000 2.370 219 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 219 S C 1.994 176.392 174.600 -0.337 0.000 1.033 219 S CA 1.621 59.656 58.200 -0.275 0.000 1.011 219 S CB -0.302 62.742 63.200 -0.260 0.000 0.852 219 S HN 0.627 nan 8.310 nan 0.000 0.457 220 Q N 0.431 119.913 119.800 -0.531 0.000 2.167 220 Q HA 0.050 4.390 4.340 -0.000 0.000 0.202 220 Q C 2.244 178.091 176.000 -0.256 0.000 0.970 220 Q CA 1.080 56.600 55.803 -0.471 0.000 0.855 220 Q CB -0.435 27.845 28.738 -0.763 0.000 0.911 220 Q HN 0.647 nan 8.270 nan 0.000 0.438 221 I N 0.177 120.593 120.570 -0.256 0.000 2.394 221 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 221 I C 1.595 177.632 176.117 -0.134 0.000 1.136 221 I CA 0.556 61.753 61.300 -0.170 0.000 1.425 221 I CB -0.106 37.779 38.000 -0.191 0.000 1.079 221 I HN 0.134 nan 8.210 nan 0.000 0.425 222 L N -0.050 121.087 121.223 -0.142 0.000 2.395 222 L HA -0.021 4.319 4.340 -0.000 0.000 0.218 222 L C 0.901 177.716 176.870 -0.092 0.000 1.130 222 L CA 1.150 55.926 54.840 -0.106 0.000 0.826 222 L CB -0.898 41.099 42.059 -0.103 0.000 0.941 222 L HN 0.125 nan 8.230 nan 0.000 0.451 223 D N -0.326 120.009 120.400 -0.107 0.000 2.316 223 D HA 0.115 4.755 4.640 -0.000 0.000 0.245 223 D C -1.751 174.505 176.300 -0.073 0.000 1.171 223 D CA -2.139 51.809 54.000 -0.086 0.000 0.856 223 D CB 1.759 42.501 40.800 -0.096 0.000 1.090 223 D HN -0.044 nan 8.370 nan 0.000 0.476 224 P HA -0.052 nan 4.420 nan 0.000 0.222 224 P C 0.358 177.628 177.300 -0.051 0.000 1.147 224 P CA 0.749 63.819 63.100 -0.050 0.000 0.790 224 P CB 0.376 32.052 31.700 -0.039 0.000 0.780 225 D N -1.658 118.711 120.400 -0.051 0.000 2.348 225 D HA 0.015 4.655 4.640 -0.000 0.000 0.211 225 D C 0.665 176.925 176.300 -0.066 0.000 0.998 225 D CA 0.615 54.585 54.000 -0.050 0.000 0.873 225 D CB 0.005 40.782 40.800 -0.038 0.000 0.925 225 D HN 0.107 nan 8.370 nan 0.000 0.524 226 S N 1.080 116.734 115.700 -0.076 0.000 2.513 226 S HA 0.212 4.682 4.470 -0.000 0.000 0.276 226 S C -1.775 172.731 174.600 -0.156 0.000 1.254 226 S CA -1.381 56.759 58.200 -0.100 0.000 1.053 226 S CB 1.742 64.908 63.200 -0.058 0.000 0.958 226 S HN -0.228 nan 8.310 nan 0.000 0.491 227 P HA 0.019 nan 4.420 nan 0.000 0.226 227 P C -0.765 176.341 177.300 -0.323 0.000 1.153 227 P CA 0.665 63.570 63.100 -0.326 0.000 0.777 227 P CB -0.061 31.381 31.700 -0.429 0.000 0.794 228 Y N 0.631 120.867 120.300 -0.107 0.000 2.531 228 Y HA 0.092 4.642 4.550 -0.000 0.000 0.347 228 Y C 1.802 177.610 175.900 -0.154 0.000 1.024 228 Y CA -0.274 57.743 58.100 -0.138 0.000 1.306 228 Y CB -0.446 37.884 38.460 -0.217 0.000 1.149 228 Y HN -0.004 nan 8.280 nan 0.000 0.527 229 I N -0.483 120.087 120.570 -0.000 0.000 4.181 229 I HA 0.670 4.840 4.170 -0.000 0.000 0.331 229 I C 0.553 176.581 176.117 -0.149 0.000 1.312 229 I CA -0.039 61.225 61.300 -0.060 0.000 1.146 229 I CB 0.484 38.467 38.000 -0.028 0.000 1.074 229 I HN 0.424 nan 8.210 nan 0.000 0.402 230 A N 1.349 124.032 122.820 -0.228 0.000 2.609 230 A HA 0.787 5.107 4.320 -0.000 0.000 0.291 230 A C -1.910 175.367 177.584 -0.513 0.000 1.096 230 A CA -0.495 51.220 52.037 -0.538 0.000 0.684 230 A CB 1.934 20.393 19.000 -0.901 0.000 1.282 230 A HN 0.224 nan 8.150 nan 0.000 0.412 231 L N 0.892 121.715 121.223 -0.666 0.000 2.471 231 L HA 0.600 4.940 4.340 -0.000 0.000 0.263 231 L C -0.175 176.489 176.870 -0.344 0.000 0.985 231 L CA 0.104 54.721 54.840 -0.373 0.000 0.868 231 L CB 1.510 43.427 42.059 -0.236 0.000 1.203 231 L HN 0.683 nan 8.230 nan 0.000 0.429 232 S N 3.935 119.518 115.700 -0.196 0.000 2.505 232 S HA 0.527 4.997 4.470 -0.000 0.000 0.276 232 S C -0.237 174.384 174.600 0.036 0.000 1.274 232 S CA -0.316 57.914 58.200 0.051 0.000 1.053 232 S CB -0.094 63.283 63.200 0.296 0.000 0.919 232 S HN 0.770 nan 8.310 nan 0.000 0.490 233 C N 4.003 123.301 119.300 -0.005 0.000 2.435 233 C HA 0.804 5.264 4.460 -0.000 0.000 0.333 233 C C 0.835 175.552 174.990 -0.456 0.000 1.202 233 C CA -1.170 57.714 59.018 -0.223 0.000 1.830 233 C CB 0.536 28.329 27.740 0.089 0.000 2.326 233 C HN 1.006 nan 8.230 nan 0.000 0.507 234 A N 1.637 123.842 122.820 -1.026 0.000 2.524 234 A HA 0.490 4.810 4.320 -0.000 0.000 0.250 234 A C 1.303 178.614 177.584 -0.455 0.000 1.078 234 A CA 0.958 52.461 52.037 -0.891 0.000 0.761 234 A CB -0.724 17.471 19.000 -1.342 0.000 1.012 234 A HN 2.189 nan 8.150 nan 0.000 0.500 235 G N 1.063 109.662 108.800 -0.334 0.000 2.391 235 G HA2 0.222 4.182 3.960 -0.000 0.000 0.204 235 G HA3 0.222 4.182 3.960 -0.000 0.000 0.204 235 G C 1.326 176.208 174.900 -0.030 0.000 1.012 235 G CA 0.905 45.954 45.100 -0.086 0.000 0.651 235 G HN 2.573 nan 8.290 nan 0.000 0.494 236 G N -0.121 108.659 108.800 -0.034 0.000 3.345 236 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.199 236 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.199 236 G C 0.066 175.030 174.900 0.107 0.000 1.057 236 G CA 0.544 45.667 45.100 0.040 0.000 0.865 236 G HN 1.041 nan 8.290 nan 0.000 0.449 237 N N 0.663 119.419 118.700 0.094 0.000 2.225 237 N HA 0.219 4.959 4.740 -0.000 0.000 0.257 237 N C -0.433 175.206 175.510 0.216 0.000 1.252 237 N CA 0.811 53.943 53.050 0.136 0.000 0.833 237 N CB 0.183 38.732 38.487 0.104 0.000 1.068 237 N HN 0.425 nan 8.380 nan 0.000 0.468 238 W N 5.843 127.149 121.300 0.009 0.000 2.492 238 W HA 0.365 5.025 4.660 -0.000 0.000 0.287 238 W C -1.562 174.949 176.519 -0.013 0.000 1.008 238 W CA -0.701 56.637 57.345 -0.012 0.000 1.557 238 W CB 0.217 29.668 29.460 -0.016 0.000 1.419 238 W HN 0.284 nan 8.180 nan 0.000 0.408 239 I N 3.900 124.330 120.570 -0.233 0.000 2.529 239 I HA 0.271 4.441 4.170 -0.000 0.000 0.284 239 I C 0.861 176.740 176.117 -0.397 0.000 1.082 239 I CA 0.888 62.055 61.300 -0.222 0.000 1.406 239 I CB 1.520 39.426 38.000 -0.156 0.000 1.405 239 I HN 0.257 nan 8.210 nan 0.000 0.548 240 T N 3.262 117.686 114.554 -0.218 0.000 2.778 240 T HA 0.649 4.999 4.350 -0.000 0.000 0.293 240 T C 0.869 175.509 174.700 -0.101 0.000 1.144 240 T CA 0.037 62.026 62.100 -0.185 0.000 1.010 240 T CB 1.178 70.005 68.868 -0.069 0.000 1.325 240 T HN 0.523 nan 8.240 nan 0.000 0.515 241 A N 0.575 123.349 122.820 -0.076 0.000 2.019 241 A HA 0.066 4.386 4.320 -0.000 0.000 0.219 241 A C 1.211 178.775 177.584 -0.032 0.000 1.164 241 A CA 1.193 53.195 52.037 -0.058 0.000 0.644 241 A CB -0.346 18.625 19.000 -0.048 0.000 0.805 241 A HN 0.750 nan 8.150 nan 0.000 0.449 242 E N 1.064 121.258 120.200 -0.010 0.000 2.304 242 E HA 0.121 4.471 4.350 -0.000 0.000 0.212 242 E C -0.625 175.983 176.600 0.014 0.000 1.185 242 E CA 0.046 56.450 56.400 0.007 0.000 1.326 242 E CB -0.562 29.153 29.700 0.025 0.000 1.283 242 E HN 0.294 nan 8.360 nan 0.000 0.440 243 T N 1.799 116.352 114.554 -0.002 0.000 2.867 243 T HA 0.169 4.519 4.350 -0.000 0.000 0.282 243 T C 0.191 174.892 174.700 0.002 0.000 1.000 243 T CA -0.688 61.416 62.100 0.006 0.000 1.042 243 T CB 1.524 70.386 68.868 -0.009 0.000 0.973 243 T HN -0.016 nan 8.240 nan 0.000 0.465 244 E N 2.331 122.539 120.200 0.013 0.000 1.944 244 E HA 0.396 4.746 4.350 -0.000 0.000 0.272 244 E C 0.335 176.939 176.600 0.007 0.000 1.195 244 E CA -0.165 56.241 56.400 0.009 0.000 0.926 244 E CB 0.061 29.771 29.700 0.016 0.000 1.051 244 E HN 0.949 nan 8.360 nan 0.000 0.404 245 A N 5.106 127.924 122.820 -0.002 0.000 1.848 245 A HA -0.109 4.211 4.320 -0.000 0.000 0.241 245 A C -1.914 175.668 177.584 -0.004 0.000 1.341 245 A CA -0.413 51.621 52.037 -0.004 0.000 0.706 245 A CB -1.037 17.965 19.000 0.002 0.000 1.189 245 A HN 0.390 nan 8.150 nan 0.000 0.259 246 P HA 0.045 nan 4.420 nan 0.000 0.285 246 P C 0.897 178.189 177.300 -0.014 0.000 1.521 246 P CA 0.626 63.712 63.100 -0.023 0.000 0.792 246 P CB 0.252 31.921 31.700 -0.051 0.000 1.613 247 E N -0.408 119.791 120.200 -0.000 0.000 2.299 247 E HA -0.114 4.236 4.350 -0.000 0.000 0.193 247 E C 1.412 178.029 176.600 0.028 0.000 0.998 247 E CA 0.543 56.948 56.400 0.008 0.000 0.851 247 E CB -0.128 29.577 29.700 0.009 0.000 0.795 247 E HN 0.302 nan 8.360 nan 0.000 0.492 248 E N 1.308 121.529 120.200 0.034 0.000 2.515 248 E HA 0.001 4.351 4.350 -0.000 0.000 0.201 248 E C 1.480 178.127 176.600 0.078 0.000 1.071 248 E CA 0.563 56.996 56.400 0.055 0.000 0.880 248 E CB -0.247 29.484 29.700 0.052 0.000 0.828 248 E HN 0.252 nan 8.360 nan 0.000 0.540 249 A N 0.598 123.459 122.820 0.068 0.000 1.849 249 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 249 A C 1.080 178.785 177.584 0.201 0.000 1.225 249 A CA 1.202 53.301 52.037 0.103 0.000 0.653 249 A CB -0.574 18.452 19.000 0.043 0.000 0.844 249 A HN 0.300 nan 8.150 nan 0.000 0.453 250 I N 1.032 121.709 120.570 0.178 0.000 2.294 250 I HA 0.106 4.276 4.170 -0.000 0.000 0.295 250 I C 0.371 176.644 176.117 0.259 0.000 1.098 250 I CA -0.047 61.417 61.300 0.275 0.000 1.277 250 I CB 0.746 38.868 38.000 0.203 0.000 1.434 250 I HN 0.237 nan 8.210 nan 0.000 0.498 251 S N 4.733 120.586 115.700 0.254 0.000 2.448 251 S HA 0.068 4.538 4.470 -0.000 0.000 0.279 251 S C 1.048 175.804 174.600 0.260 0.000 1.195 251 S CA -0.716 57.600 58.200 0.193 0.000 1.051 251 S CB 0.379 63.656 63.200 0.127 0.000 0.948 251 S HN 0.496 nan 8.310 nan 0.000 0.493 252 D N 4.159 124.718 120.400 0.264 0.000 2.221 252 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 252 D C 1.568 178.060 176.300 0.320 0.000 0.982 252 D CA 0.791 54.994 54.000 0.337 0.000 0.857 252 D CB -0.099 40.824 40.800 0.205 0.000 0.934 252 D HN 0.506 nan 8.370 nan 0.000 0.475 253 L N 0.348 121.692 121.223 0.201 0.000 2.549 253 L HA 0.026 4.366 4.340 -0.000 0.000 0.229 253 L C 2.007 178.959 176.870 0.136 0.000 1.158 253 L CA 0.525 55.455 54.840 0.149 0.000 0.842 253 L CB -0.431 41.685 42.059 0.095 0.000 0.952 253 L HN -0.065 nan 8.230 nan 0.000 0.452 254 A N -0.957 121.939 122.820 0.127 0.000 1.883 254 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 254 A C 2.040 179.581 177.584 -0.072 0.000 1.186 254 A CA 1.700 53.718 52.037 -0.031 0.000 0.624 254 A CB -0.975 17.847 19.000 -0.297 0.000 0.822 254 A HN 0.637 nan 8.150 nan 0.000 0.444 255 W N -0.069 121.321 121.300 0.149 0.000 2.699 255 W HA -0.002 4.658 4.660 -0.000 0.000 0.249 255 W C 2.118 178.676 176.519 0.064 0.000 1.280 255 W CA 1.291 58.706 57.345 0.116 0.000 1.345 255 W CB -0.112 29.412 29.460 0.106 0.000 1.128 255 W HN 0.495 nan 8.180 nan 0.000 0.642 256 K N 1.704 122.226 120.400 0.204 0.000 2.211 256 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 256 K C 1.822 178.419 176.600 -0.005 0.000 1.052 256 K CA 1.061 57.411 56.287 0.105 0.000 0.973 256 K CB 0.065 32.620 32.500 0.092 0.000 0.766 256 K HN 0.062 nan 8.250 nan 0.000 0.466 257 K N -0.942 119.395 120.400 -0.105 0.000 2.353 257 K HA 0.098 4.418 4.320 -0.000 0.000 0.195 257 K C -0.507 175.682 176.600 -0.684 0.000 1.031 257 K CA 0.024 56.103 56.287 -0.345 0.000 1.079 257 K CB 0.263 32.526 32.500 -0.395 0.000 0.857 257 K HN 0.093 nan 8.250 nan 0.000 0.535 258 H N 0.963 119.980 119.070 -0.089 0.000 2.744 258 H HA 0.161 4.717 4.556 -0.000 0.000 0.339 258 H C -0.883 174.400 175.328 -0.076 0.000 1.004 258 H CA -0.792 55.171 56.048 -0.143 0.000 1.257 258 H CB 1.887 31.517 29.762 -0.220 0.000 1.552 258 H HN 0.056 nan 8.280 nan 0.000 0.522 262 A N 1.405 123.805 122.820 -0.701 0.000 2.350 262 A HA 0.957 5.277 4.320 -0.000 0.000 0.318 262 A C -1.589 175.430 177.584 -0.941 0.000 1.132 262 A CA -0.533 51.160 52.037 -0.573 0.000 0.811 262 A CB 1.490 20.174 19.000 -0.526 0.000 1.313 262 A HN 0.458 nan 8.150 nan 0.000 0.454 263 W N 1.086 122.020 121.300 -0.610 0.000 3.211 263 W HA 0.338 4.998 4.660 -0.000 0.000 0.335 263 W C -1.221 175.013 176.519 -0.474 0.000 1.113 263 W CA -0.306 56.803 57.345 -0.392 0.000 1.235 263 W CB 1.517 30.973 29.460 -0.008 0.000 1.365 263 W HN 0.715 nan 8.180 nan 0.000 0.476 264 H N 4.104 123.259 119.070 0.142 0.000 2.505 264 H HA 0.362 4.918 4.556 -0.000 0.000 0.338 264 H C -0.412 174.973 175.328 0.095 0.000 1.057 264 H CA -0.676 55.431 56.048 0.097 0.000 1.202 264 H CB 2.786 32.530 29.762 -0.030 0.000 1.466 264 H HN 0.150 nan 8.280 nan 0.000 0.499 265 L N 5.670 127.047 121.223 0.256 0.000 2.287 265 L HA 0.321 4.661 4.340 -0.000 0.000 0.280 265 L C -0.067 176.930 176.870 0.212 0.000 1.055 265 L CA -0.408 54.470 54.840 0.063 0.000 0.863 265 L CB -0.020 41.939 42.059 -0.166 0.000 1.245 265 L HN 0.456 nan 8.230 nan 0.000 0.432 266 I N 2.649 123.293 120.570 0.123 0.000 2.713 266 I HA 0.331 4.501 4.170 -0.000 0.000 0.300 266 I C 0.696 176.909 176.117 0.160 0.000 1.009 266 I CA -0.241 61.147 61.300 0.146 0.000 1.305 266 I CB 1.741 39.768 38.000 0.046 0.000 1.430 266 I HN 0.489 nan 8.210 nan 0.000 0.546 267 T N 0.418 115.042 114.554 0.117 0.000 2.906 267 T HA 0.574 4.924 4.350 -0.000 0.000 0.295 267 T C 0.658 175.382 174.700 0.039 0.000 1.075 267 T CA -0.306 61.811 62.100 0.027 0.000 1.005 267 T CB 1.824 70.658 68.868 -0.057 0.000 1.136 267 T HN 0.619 nan 8.240 nan 0.000 0.498 268 A N 1.470 124.297 122.820 0.012 0.000 1.892 268 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 268 A C 1.721 179.327 177.584 0.038 0.000 1.188 268 A CA 2.115 54.169 52.037 0.028 0.000 0.631 268 A CB -1.076 17.929 19.000 0.009 0.000 0.822 268 A HN 0.983 nan 8.150 nan 0.000 0.447 269 D N -1.188 119.229 120.400 0.029 0.000 2.325 269 D HA 0.269 4.909 4.640 -0.000 0.000 0.234 269 D C 0.958 177.298 176.300 0.068 0.000 1.122 269 D CA 0.516 54.541 54.000 0.041 0.000 0.850 269 D CB -1.153 39.664 40.800 0.030 0.000 0.921 269 D HN 0.802 nan 8.370 nan 0.000 0.513 270 G N 1.304 110.154 108.800 0.084 0.000 2.371 270 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.299 270 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.299 270 G C 0.205 175.201 174.900 0.159 0.000 1.014 270 G CA -0.027 45.142 45.100 0.115 0.000 1.097 270 G HN 0.366 nan 8.290 nan 0.000 0.512 271 Q N -0.623 119.284 119.800 0.178 0.000 2.144 271 Q HA 0.330 4.670 4.340 -0.000 0.000 0.305 271 Q C 1.309 177.476 176.000 0.279 0.000 0.876 271 Q CA 0.304 56.272 55.803 0.275 0.000 1.130 271 Q CB 0.678 29.530 28.738 0.190 0.000 1.267 271 Q HN 0.598 nan 8.270 nan 0.000 0.433 272 G N 0.473 109.463 108.800 0.318 0.000 2.546 272 G HA2 0.590 4.550 3.960 -0.000 0.000 0.239 272 G HA3 0.590 4.550 3.960 -0.000 0.000 0.239 272 G C -0.128 175.054 174.900 0.470 0.000 1.476 272 G CA -0.321 45.041 45.100 0.436 0.000 1.064 272 G HN 0.215 nan 8.290 nan 0.000 0.561 273 I N -0.540 120.300 120.570 0.451 0.000 2.533 273 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 273 I C -0.622 175.699 176.117 0.340 0.000 1.056 273 I CA -0.394 61.141 61.300 0.391 0.000 1.057 273 I CB 2.623 40.855 38.000 0.386 0.000 1.240 273 I HN 0.236 nan 8.210 nan 0.000 0.423 274 T N 6.511 121.197 114.554 0.219 0.000 2.824 274 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 274 T C -0.802 173.803 174.700 -0.159 0.000 0.995 274 T CA -0.346 61.811 62.100 0.096 0.000 1.009 274 T CB 1.461 70.447 68.868 0.196 0.000 0.955 274 T HN 0.258 nan 8.240 nan 0.000 0.452 275 L N 5.218 126.237 121.223 -0.340 0.000 2.349 275 L HA 0.734 5.074 4.340 -0.000 0.000 0.278 275 L C -1.250 175.516 176.870 -0.173 0.000 0.996 275 L CA -0.536 54.041 54.840 -0.438 0.000 0.825 275 L CB 1.354 42.828 42.059 -0.976 0.000 1.243 275 L HN 0.412 nan 8.230 nan 0.000 0.412 276 V N 4.755 124.639 119.914 -0.051 0.000 2.448 276 V HA 0.390 4.510 4.120 -0.000 0.000 0.295 276 V C 0.046 176.249 176.094 0.183 0.000 1.025 276 V CA -0.682 61.688 62.300 0.116 0.000 0.859 276 V CB 1.529 33.516 31.823 0.274 0.000 0.988 276 V HN 0.833 nan 8.190 nan 0.000 0.431 277 N N 4.299 123.124 118.700 0.208 0.000 2.602 277 N HA 0.217 4.957 4.740 -0.000 0.000 0.238 277 N C 1.275 176.880 175.510 0.158 0.000 1.084 277 N CA -0.364 52.822 53.050 0.226 0.000 0.952 277 N CB 0.646 39.382 38.487 0.416 0.000 1.244 277 N HN 0.875 nan 8.380 nan 0.000 0.512 278 I N 0.721 121.334 120.570 0.071 0.000 2.916 278 I HA 0.167 4.337 4.170 -0.000 0.000 0.267 278 I C 1.087 177.194 176.117 -0.017 0.000 1.263 278 I CA 0.367 61.643 61.300 -0.039 0.000 1.471 278 I CB -0.591 37.275 38.000 -0.223 0.000 1.089 278 I HN 0.576 nan 8.210 nan 0.000 0.468 279 G N 1.143 109.974 108.800 0.052 0.000 2.512 279 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.240 279 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.240 279 G C -0.414 174.498 174.900 0.020 0.000 1.246 279 G CA 0.066 45.203 45.100 0.063 0.000 0.919 279 G HN 0.814 nan 8.290 nan 0.000 0.577 280 V N 0.332 120.256 119.914 0.017 0.000 2.709 280 V HA 0.930 5.050 4.120 -0.000 0.000 0.308 280 V C 0.430 176.519 176.094 -0.008 0.000 1.062 280 V CA 1.318 63.623 62.300 0.009 0.000 0.901 280 V CB 1.157 33.004 31.823 0.039 0.000 1.003 280 V HN 3.069 nan 8.190 nan 0.000 0.425 281 G N 5.843 114.631 108.800 -0.021 0.000 2.592 281 G HA2 0.009 3.969 3.960 -0.000 0.000 0.685 281 G HA3 0.009 3.969 3.960 -0.000 0.000 0.685 281 G C -2.820 172.042 174.900 -0.064 0.000 1.278 281 G CA -0.139 44.946 45.100 -0.025 0.000 0.822 281 G HN 0.618 nan 8.290 nan 0.000 0.652 282 P HA 0.023 nan 4.420 nan 0.000 0.219 282 P C 2.077 179.323 177.300 -0.089 0.000 1.150 282 P CA 1.653 64.701 63.100 -0.086 0.000 0.814 282 P CB 0.200 31.860 31.700 -0.068 0.000 0.787 283 S N -0.112 115.554 115.700 -0.058 0.000 2.353 283 S HA -0.209 4.261 4.470 -0.000 0.000 0.222 283 S C 1.708 176.247 174.600 -0.102 0.000 1.035 283 S CA 1.938 60.105 58.200 -0.055 0.000 1.025 283 S CB -1.318 61.869 63.200 -0.023 0.000 0.902 283 S HN 0.341 nan 8.310 nan 0.000 0.440 284 N N 1.540 120.169 118.700 -0.119 0.000 2.188 284 N HA 0.040 4.780 4.740 -0.000 0.000 0.184 284 N C 1.912 177.273 175.510 -0.247 0.000 1.018 284 N CA 0.881 53.823 53.050 -0.180 0.000 0.858 284 N CB -0.275 38.127 38.487 -0.142 0.000 0.989 284 N HN 0.392 nan 8.380 nan 0.000 0.426 285 A N 1.673 124.347 122.820 -0.243 0.000 1.908 285 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 285 A C 2.095 179.483 177.584 -0.326 0.000 1.181 285 A CA 1.409 53.238 52.037 -0.346 0.000 0.627 285 A CB -0.470 18.347 19.000 -0.306 0.000 0.818 285 A HN 0.228 nan 8.150 nan 0.000 0.445 286 K N -0.948 119.323 120.400 -0.215 0.000 2.025 286 K HA -0.124 4.196 4.320 -0.000 0.000 0.207 286 K C 2.056 178.554 176.600 -0.170 0.000 1.049 286 K CA 1.806 58.002 56.287 -0.151 0.000 0.933 286 K CB -0.395 32.054 32.500 -0.086 0.000 0.714 286 K HN 0.426 nan 8.250 nan 0.000 0.438 287 T N 1.910 116.341 114.554 -0.205 0.000 2.635 287 T HA -0.199 4.151 4.350 -0.000 0.000 0.267 287 T C 1.807 176.303 174.700 -0.339 0.000 1.040 287 T CA 1.622 63.563 62.100 -0.264 0.000 1.156 287 T CB -0.279 68.415 68.868 -0.289 0.000 0.863 287 T HN 0.212 nan 8.240 nan 0.000 0.430 288 I N 0.790 121.168 120.570 -0.319 0.000 2.208 288 I HA -0.142 4.028 4.170 -0.000 0.000 0.245 288 I C 2.401 178.393 176.117 -0.209 0.000 1.097 288 I CA 0.940 62.102 61.300 -0.230 0.000 1.363 288 I CB -0.528 37.314 38.000 -0.264 0.000 1.051 288 I HN 0.318 nan 8.210 nan 0.000 0.413 289 C N 0.359 119.480 119.300 -0.298 0.000 2.435 289 C HA -0.119 4.341 4.460 -0.000 0.000 0.279 289 C C 2.363 177.345 174.990 -0.014 0.000 1.321 289 C CA 0.685 59.583 59.018 -0.200 0.000 1.752 289 C CB -1.287 26.343 27.740 -0.185 0.000 1.959 289 C HN 0.513 nan 8.230 nan 0.000 0.500 290 D N -0.004 120.322 120.400 -0.123 0.000 2.158 290 D HA -0.121 4.519 4.640 -0.000 0.000 0.197 290 D C 1.968 178.002 176.300 -0.444 0.000 0.995 290 D CA 1.391 55.244 54.000 -0.245 0.000 0.846 290 D CB -0.340 40.256 40.800 -0.341 0.000 0.941 290 D HN 0.611 nan 8.370 nan 0.000 0.456 291 H N -0.392 118.584 119.070 -0.156 0.000 2.399 291 H HA 0.132 4.688 4.556 -0.000 0.000 0.300 291 H C 2.328 177.510 175.328 -0.244 0.000 1.048 291 H CA 0.041 55.955 56.048 -0.224 0.000 1.370 291 H CB -0.535 29.133 29.762 -0.156 0.000 1.428 291 H HN 0.111 nan 8.280 nan 0.000 0.534 292 L N 0.899 122.118 121.223 -0.006 0.000 2.187 292 L HA -0.123 4.217 4.340 -0.000 0.000 0.213 292 L C 2.435 179.353 176.870 0.081 0.000 1.100 292 L CA 0.828 55.692 54.840 0.040 0.000 0.765 292 L CB -0.322 41.865 42.059 0.214 0.000 0.904 292 L HN 0.194 nan 8.230 nan 0.000 0.437 293 A N -0.489 122.338 122.820 0.013 0.000 2.019 293 A HA -0.188 4.132 4.320 -0.000 0.000 0.219 293 A C 2.146 179.566 177.584 -0.272 0.000 1.164 293 A CA 1.680 53.664 52.037 -0.090 0.000 0.644 293 A CB -0.849 17.855 19.000 -0.494 0.000 0.805 293 A HN 0.442 nan 8.150 nan 0.000 0.449 294 V N -2.543 117.055 119.914 -0.527 0.000 2.970 294 V HA -0.009 4.111 4.120 -0.000 0.000 0.260 294 V C 1.747 177.781 176.094 -0.100 0.000 1.100 294 V CA 1.524 63.527 62.300 -0.495 0.000 1.122 294 V CB -0.767 30.721 31.823 -0.558 0.000 0.721 294 V HN 0.446 nan 8.190 nan 0.000 0.483 295 L N -0.201 120.968 121.223 -0.090 0.000 2.599 295 L HA 0.294 4.634 4.340 -0.000 0.000 0.230 295 L C 0.854 177.674 176.870 -0.084 0.000 1.141 295 L CA -0.166 54.646 54.840 -0.046 0.000 0.877 295 L CB -0.317 41.656 42.059 -0.142 0.000 1.009 295 L HN 0.313 nan 8.230 nan 0.000 0.447 296 R N -1.165 119.270 120.500 -0.108 0.000 3.188 296 R HA -0.150 4.190 4.340 -0.000 0.000 0.247 296 R C -2.194 174.021 176.300 -0.141 0.000 0.918 296 R CA 0.031 56.031 56.100 -0.167 0.000 0.629 296 R CB -2.151 27.901 30.300 -0.414 0.000 1.087 296 R HN 0.249 nan 8.270 nan 0.000 0.462 297 P HA -0.004 nan 4.420 nan 0.000 0.271 297 P C 0.741 177.936 177.300 -0.175 0.000 1.238 297 P CA -0.188 62.847 63.100 -0.109 0.000 0.794 297 P CB 0.517 32.211 31.700 -0.009 0.000 0.959 298 D N -1.005 119.228 120.400 -0.279 0.000 2.327 298 D HA 0.131 4.771 4.640 -0.000 0.000 0.205 298 D C 0.191 176.353 176.300 -0.229 0.000 0.989 298 D CA 0.846 54.713 54.000 -0.221 0.000 0.873 298 D CB 0.604 41.076 40.800 -0.547 0.000 0.955 298 D HN 0.069 nan 8.370 nan 0.000 0.515 299 V N 0.186 119.951 119.914 -0.248 0.000 3.155 299 V HA 0.425 4.545 4.120 -0.000 0.000 0.272 299 V C -2.200 173.916 176.094 0.036 0.000 1.639 299 V CA -0.943 61.267 62.300 -0.149 0.000 1.006 299 V CB 1.653 33.466 31.823 -0.018 0.000 1.244 299 V HN 0.134 nan 8.190 nan 0.000 0.458 300 W N 5.950 127.264 121.300 0.024 0.000 2.957 300 W HA 0.879 5.539 4.660 -0.000 0.000 0.336 300 W C -2.131 174.422 176.519 0.058 0.000 1.087 300 W CA -1.355 55.961 57.345 -0.048 0.000 1.235 300 W CB 0.659 30.056 29.460 -0.104 0.000 1.399 300 W HN 0.514 nan 8.180 nan 0.000 0.480 304 G N 2.786 111.524 108.800 -0.103 0.000 2.749 304 G HA2 0.556 4.516 3.960 -0.000 0.000 0.300 304 G HA3 0.556 4.516 3.960 -0.000 0.000 0.300 304 G C -1.307 173.757 174.900 0.273 0.000 1.352 304 G CA -0.685 44.358 45.100 -0.096 0.000 0.789 304 G HN 0.410 nan 8.290 nan 0.000 0.509 305 H N -1.642 117.478 119.070 0.082 0.000 2.547 305 H HA 0.525 5.081 4.556 -0.000 0.000 0.362 305 H C 0.246 175.603 175.328 0.048 0.000 1.181 305 H CA 0.059 56.147 56.048 0.066 0.000 1.376 305 H CB 1.461 31.202 29.762 -0.035 0.000 1.488 305 H HN 0.797 nan 8.280 nan 0.000 0.583 306 C N -0.040 119.345 119.300 0.142 0.000 3.321 306 C HA 0.681 5.141 4.460 -0.000 0.000 0.329 306 C C 0.242 175.262 174.990 0.050 0.000 1.394 306 C CA -0.901 58.168 59.018 0.086 0.000 1.291 306 C CB 0.667 28.444 27.740 0.062 0.000 1.606 306 C HN 0.949 nan 8.230 nan 0.000 0.463 307 G N 0.280 109.125 108.800 0.074 0.000 2.348 307 G HA2 0.613 4.573 3.960 -0.000 0.000 0.312 307 G HA3 0.613 4.573 3.960 -0.000 0.000 0.312 307 G C 0.160 175.093 174.900 0.056 0.000 1.126 307 G CA 0.089 45.247 45.100 0.097 0.000 0.865 307 G HN 1.561 nan 8.290 nan 0.000 0.474 308 G N 0.491 109.318 108.800 0.045 0.000 2.372 308 G HA2 0.443 4.403 3.960 -0.000 0.000 0.283 308 G HA3 0.443 4.403 3.960 -0.000 0.000 0.283 308 G C 0.646 175.602 174.900 0.094 0.000 1.177 308 G CA -0.621 44.494 45.100 0.026 0.000 0.842 308 G HN 0.555 nan 8.290 nan 0.000 0.503 309 L N 1.437 122.704 121.223 0.073 0.000 2.590 309 L HA 0.289 4.629 4.340 -0.000 0.000 0.227 309 L C 0.854 177.866 176.870 0.237 0.000 1.099 309 L CA -0.138 54.797 54.840 0.159 0.000 0.872 309 L CB -0.069 42.031 42.059 0.069 0.000 1.088 309 L HN 0.231 nan 8.230 nan 0.000 0.479 310 R N 0.911 121.479 120.500 0.114 0.000 2.368 310 R HA 0.121 4.461 4.340 -0.000 0.000 0.302 310 R C 0.975 177.181 176.300 -0.156 0.000 1.002 310 R CA -0.287 55.846 56.100 0.056 0.000 0.929 310 R CB 1.370 31.668 30.300 -0.003 0.000 1.073 310 R HN 0.108 nan 8.270 nan 0.000 0.464 311 E N 0.838 120.876 120.200 -0.270 0.000 2.153 311 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 311 E C 0.975 177.387 176.600 -0.313 0.000 0.988 311 E CA 1.901 57.933 56.400 -0.614 0.000 0.811 311 E CB -0.131 29.402 29.700 -0.279 0.000 0.746 311 E HN 0.512 nan 8.360 nan 0.000 0.466 312 S N -0.812 114.789 115.700 -0.164 0.000 2.607 312 S HA -0.059 4.411 4.470 -0.000 0.000 0.224 312 S C 0.759 175.290 174.600 -0.114 0.000 0.969 312 S CA -0.224 57.908 58.200 -0.113 0.000 0.927 312 S CB -0.282 62.878 63.200 -0.068 0.000 0.772 312 S HN 0.282 nan 8.310 nan 0.000 0.533 313 Q N 0.929 120.648 119.800 -0.134 0.000 2.293 313 Q HA 0.667 5.007 4.340 -0.000 0.000 0.251 313 Q C -0.540 175.384 176.000 -0.126 0.000 0.930 313 Q CA -0.281 55.453 55.803 -0.115 0.000 0.893 313 Q CB 1.463 30.144 28.738 -0.094 0.000 1.215 313 Q HN 0.545 nan 8.270 nan 0.000 0.425 314 A N 3.197 125.944 122.820 -0.123 0.000 2.350 314 A HA 0.497 4.817 4.320 -0.000 0.000 0.324 314 A C -0.427 177.071 177.584 -0.143 0.000 1.118 314 A CA -0.785 51.179 52.037 -0.123 0.000 0.783 314 A CB 0.697 19.628 19.000 -0.116 0.000 1.236 314 A HN 0.804 nan 8.150 nan 0.000 0.457 315 I N 1.763 122.255 120.570 -0.130 0.000 2.821 315 I HA 0.181 4.351 4.170 -0.000 0.000 0.294 315 I C 1.478 177.481 176.117 -0.191 0.000 1.210 315 I CA 2.089 63.298 61.300 -0.151 0.000 1.430 315 I CB 0.236 38.161 38.000 -0.126 0.000 1.356 315 I HN 1.116 nan 8.210 nan 0.000 0.563 316 G N 4.008 112.657 108.800 -0.252 0.000 2.218 316 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 316 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 316 G C 0.047 174.620 174.900 -0.546 0.000 0.994 316 G CA -0.449 44.453 45.100 -0.331 0.000 0.637 316 G HN 0.564 nan 8.290 nan 0.000 0.505 317 D N -0.060 120.085 120.400 -0.426 0.000 2.371 317 D HA 0.539 5.179 4.640 -0.000 0.000 0.242 317 D C 0.121 176.091 176.300 -0.548 0.000 1.218 317 D CA 0.370 54.091 54.000 -0.466 0.000 0.945 317 D CB 0.310 40.971 40.800 -0.231 0.000 1.137 317 D HN 0.191 nan 8.370 nan 0.000 0.464 318 Y N -0.839 119.396 120.300 -0.107 0.000 2.446 318 Y HA 0.491 5.041 4.550 -0.000 0.000 0.338 318 Y C 0.144 176.001 175.900 -0.071 0.000 1.055 318 Y CA -0.967 57.064 58.100 -0.114 0.000 1.101 318 Y CB 1.476 39.871 38.460 -0.108 0.000 1.221 318 Y HN -0.089 nan 8.280 nan 0.000 0.460 319 V N 4.192 124.185 119.914 0.132 0.000 2.483 319 V HA 0.326 4.446 4.120 -0.000 0.000 0.297 319 V C -1.157 174.973 176.094 0.060 0.000 1.027 319 V CA -0.756 61.574 62.300 0.051 0.000 0.855 319 V CB 1.789 33.617 31.823 0.007 0.000 0.995 319 V HN 0.529 nan 8.190 nan 0.000 0.424 320 L N 5.429 126.671 121.223 0.032 0.000 2.262 320 L HA 0.836 5.176 4.340 -0.000 0.000 0.288 320 L C 0.517 177.362 176.870 -0.041 0.000 1.035 320 L CA -0.125 54.738 54.840 0.038 0.000 0.820 320 L CB 1.052 43.155 42.059 0.074 0.000 1.204 320 L HN 0.741 nan 8.230 nan 0.000 0.424 321 A N 3.669 126.466 122.820 -0.039 0.000 2.404 321 A HA 0.363 4.683 4.320 -0.000 0.000 0.273 321 A C 0.391 177.901 177.584 -0.123 0.000 1.144 321 A CA 0.086 52.018 52.037 -0.175 0.000 0.806 321 A CB -0.236 18.582 19.000 -0.302 0.000 1.080 321 A HN 0.955 nan 8.150 nan 0.000 0.509 322 H N 0.640 119.579 119.070 -0.218 0.000 2.652 322 H HA 0.626 5.182 4.556 -0.000 0.000 0.274 322 H C -0.023 175.185 175.328 -0.199 0.000 1.021 322 H CA -0.199 55.759 56.048 -0.151 0.000 1.187 322 H CB -0.385 29.323 29.762 -0.091 0.000 1.505 322 H HN 0.941 nan 8.280 nan 0.000 0.530 323 A N -0.244 122.554 122.820 -0.037 0.000 2.567 323 A HA 0.581 4.901 4.320 -0.000 0.000 0.291 323 A C -2.174 175.127 177.584 -0.472 0.000 1.048 323 A CA -0.913 51.000 52.037 -0.208 0.000 0.661 323 A CB 0.648 19.569 19.000 -0.132 0.000 1.288 323 A HN 0.157 nan 8.150 nan 0.000 0.424 324 Y N -0.555 119.757 120.300 0.021 0.000 2.442 324 Y HA 0.606 5.156 4.550 -0.000 0.000 0.344 324 Y C -0.346 175.524 175.900 -0.051 0.000 0.976 324 Y CA -0.727 57.360 58.100 -0.021 0.000 1.040 324 Y CB 2.146 40.582 38.460 -0.039 0.000 1.228 324 Y HN 0.597 nan 8.280 nan 0.000 0.451 325 L N 4.306 125.572 121.223 0.073 0.000 2.270 325 L HA 0.496 4.836 4.340 -0.000 0.000 0.286 325 L C -0.313 176.551 176.870 -0.009 0.000 1.059 325 L CA -0.691 54.154 54.840 0.008 0.000 0.839 325 L CB 0.220 42.254 42.059 -0.042 0.000 1.221 325 L HN 0.531 nan 8.230 nan 0.000 0.431 326 R N 3.492 123.983 120.500 -0.015 0.000 2.605 326 R HA 0.116 4.456 4.340 -0.000 0.000 0.271 326 R C -0.416 175.821 176.300 -0.105 0.000 1.418 326 R CA 0.077 56.139 56.100 -0.064 0.000 1.102 326 R CB -0.123 30.135 30.300 -0.071 0.000 1.131 326 R HN 0.537 nan 8.270 nan 0.000 0.554 327 D N 0.872 121.180 120.400 -0.154 0.000 2.525 327 D HA -0.034 4.606 4.640 -0.000 0.000 0.229 327 D C 0.359 176.366 176.300 -0.487 0.000 1.202 327 D CA 0.224 54.062 54.000 -0.270 0.000 0.828 327 D CB 0.529 41.236 40.800 -0.155 0.000 1.008 327 D HN 0.460 nan 8.370 nan 0.000 0.493 328 D N -1.084 119.103 120.400 -0.355 0.000 2.346 328 D HA -0.101 4.539 4.640 -0.000 0.000 0.206 328 D C 0.837 177.008 176.300 -0.214 0.000 1.001 328 D CA 0.392 54.226 54.000 -0.277 0.000 0.871 328 D CB 0.086 40.796 40.800 -0.150 0.000 0.943 328 D HN 0.100 nan 8.370 nan 0.000 0.518 329 H N -0.430 118.630 119.070 -0.016 0.000 5.017 329 H HA -0.224 4.332 4.556 -0.000 0.000 0.071 329 H C 1.878 177.195 175.328 -0.018 0.000 0.562 329 H CA 1.443 57.484 56.048 -0.011 0.000 1.051 329 H CB -1.671 28.092 29.762 0.001 0.000 0.480 329 H HN 0.232 nan 8.280 nan 0.000 0.749 330 V N 1.743 121.714 119.914 0.095 0.000 2.511 330 V HA -0.215 3.905 4.120 -0.000 0.000 0.257 330 V C 2.121 178.225 176.094 0.016 0.000 1.088 330 V CA 2.537 64.862 62.300 0.042 0.000 1.098 330 V CB -0.438 31.387 31.823 0.005 0.000 0.674 330 V HN 0.379 nan 8.190 nan 0.000 0.470 331 L N -0.886 120.336 121.223 -0.002 0.000 2.808 331 L HA 0.215 4.555 4.340 -0.000 0.000 0.246 331 L C 1.595 178.462 176.870 -0.006 0.000 1.153 331 L CA -0.098 54.732 54.840 -0.016 0.000 0.956 331 L CB 0.054 42.080 42.059 -0.055 0.000 1.270 331 L HN 0.204 nan 8.230 nan 0.000 0.528 332 D N 1.455 121.867 120.400 0.019 0.000 2.133 332 D HA -0.212 4.428 4.640 -0.000 0.000 0.195 332 D C 2.203 178.512 176.300 0.015 0.000 0.997 332 D CA 1.641 55.656 54.000 0.024 0.000 0.840 332 D CB 0.171 41.004 40.800 0.055 0.000 0.947 332 D HN 0.349 nan 8.370 nan 0.000 0.452 333 A N 0.491 123.321 122.820 0.017 0.000 1.898 333 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 333 A C 2.383 179.975 177.584 0.013 0.000 1.181 333 A CA 1.972 54.018 52.037 0.014 0.000 0.620 333 A CB -0.558 18.452 19.000 0.017 0.000 0.819 333 A HN 0.256 nan 8.150 nan 0.000 0.442 334 V N -4.241 115.679 119.914 0.011 0.000 3.354 334 V HA 0.400 4.520 4.120 -0.000 0.000 0.258 334 V C 0.559 176.657 176.094 0.005 0.000 1.159 334 V CA 0.615 62.921 62.300 0.011 0.000 1.125 334 V CB 0.002 31.832 31.823 0.011 0.000 0.774 334 V HN 0.295 nan 8.190 nan 0.000 0.464 335 L N 1.871 123.092 121.223 -0.005 0.000 2.534 335 L HA 0.676 5.016 4.340 -0.000 0.000 0.259 335 L C -2.898 173.961 176.870 -0.019 0.000 1.108 335 L CA -1.814 53.020 54.840 -0.010 0.000 0.905 335 L CB 1.443 43.483 42.059 -0.033 0.000 1.138 335 L HN -0.002 nan 8.230 nan 0.000 0.475 336 P HA 0.096 nan 4.420 nan 0.000 0.264 336 P C -2.066 175.223 177.300 -0.018 0.000 1.179 336 P CA -0.683 62.414 63.100 -0.004 0.000 0.763 336 P CB 0.184 31.886 31.700 0.004 0.000 0.806 337 P HA -0.189 nan 4.420 nan 0.000 0.222 337 P C 0.729 178.017 177.300 -0.020 0.000 1.142 337 P CA 1.395 64.485 63.100 -0.017 0.000 0.788 337 P CB -0.200 31.504 31.700 0.007 0.000 0.767 338 D N -1.731 118.661 120.400 -0.013 0.000 2.339 338 D HA -0.033 4.607 4.640 -0.000 0.000 0.217 338 D C 0.449 176.738 176.300 -0.018 0.000 1.050 338 D CA 0.157 54.151 54.000 -0.011 0.000 0.856 338 D CB -0.101 40.699 40.800 -0.001 0.000 0.922 338 D HN 0.092 nan 8.370 nan 0.000 0.518 339 I N 3.781 124.331 120.570 -0.033 0.000 2.436 339 I HA 0.142 4.312 4.170 -0.000 0.000 0.289 339 I C -1.997 174.061 176.117 -0.099 0.000 1.083 339 I CA -2.221 59.054 61.300 -0.041 0.000 1.372 339 I CB 0.242 38.219 38.000 -0.039 0.000 1.408 339 I HN -0.135 nan 8.210 nan 0.000 0.516 340 P HA 0.168 nan 4.420 nan 0.000 0.271 340 P C -0.607 176.579 177.300 -0.191 0.000 1.226 340 P CA -0.207 62.843 63.100 -0.084 0.000 0.765 340 P CB 1.044 32.730 31.700 -0.023 0.000 0.835 341 I N 6.411 126.866 120.570 -0.191 0.000 2.287 341 I HA 0.231 4.401 4.170 -0.000 0.000 0.290 341 I C -1.258 174.904 176.117 0.076 0.000 1.069 341 I CA -2.488 58.665 61.300 -0.246 0.000 1.237 341 I CB 0.366 38.233 38.000 -0.221 0.000 1.418 341 I HN 0.272 nan 8.210 nan 0.000 0.481 342 P HA 0.296 nan 4.420 nan 0.000 0.279 342 P C -0.392 177.077 177.300 0.282 0.000 1.282 342 P CA -0.398 62.814 63.100 0.186 0.000 0.788 342 P CB 1.038 32.834 31.700 0.160 0.000 1.139 343 S N -0.088 115.703 115.700 0.152 0.000 2.541 343 S HA 0.409 4.879 4.470 -0.000 0.000 0.283 343 S C 0.226 174.823 174.600 -0.005 0.000 1.196 343 S CA -0.576 57.688 58.200 0.108 0.000 1.062 343 S CB 0.286 63.529 63.200 0.072 0.000 1.009 343 S HN 0.219 nan 8.310 nan 0.000 0.502 344 I N 3.105 123.598 120.570 -0.129 0.000 2.301 344 I HA 0.207 4.377 4.170 -0.000 0.000 0.292 344 I C 1.417 177.488 176.117 -0.077 0.000 1.046 344 I CA -0.509 60.696 61.300 -0.159 0.000 1.282 344 I CB -0.195 37.617 38.000 -0.313 0.000 1.409 344 I HN 0.802 nan 8.210 nan 0.000 0.484 345 A N 6.082 128.876 122.820 -0.043 0.000 1.903 345 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 345 A C 1.966 179.541 177.584 -0.015 0.000 1.191 345 A CA 1.744 53.767 52.037 -0.023 0.000 0.638 345 A CB -0.321 18.667 19.000 -0.019 0.000 0.823 345 A HN 0.695 nan 8.150 nan 0.000 0.451 346 E N -0.333 119.857 120.200 -0.017 0.000 2.058 346 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 346 E C 1.935 178.542 176.600 0.012 0.000 0.997 346 E CA 1.363 57.764 56.400 0.003 0.000 0.801 346 E CB -0.598 29.106 29.700 0.007 0.000 0.746 346 E HN 0.365 nan 8.360 nan 0.000 0.450 347 V N 1.232 121.138 119.914 -0.013 0.000 2.407 347 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 347 V C 2.209 178.325 176.094 0.037 0.000 1.055 347 V CA 1.573 63.877 62.300 0.007 0.000 1.049 347 V CB -0.503 31.296 31.823 -0.040 0.000 0.662 347 V HN 0.260 nan 8.190 nan 0.000 0.455 348 Q N 0.045 119.861 119.800 0.027 0.000 2.079 348 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 348 Q C 2.441 178.487 176.000 0.077 0.000 0.974 348 Q CA 1.429 57.262 55.803 0.050 0.000 0.840 348 Q CB -0.331 28.421 28.738 0.025 0.000 0.898 348 Q HN 0.615 nan 8.270 nan 0.000 0.430 349 R N 0.339 120.874 120.500 0.058 0.000 2.075 349 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 349 R C 2.310 178.686 176.300 0.127 0.000 1.126 349 R CA 1.084 57.238 56.100 0.091 0.000 0.963 349 R CB -0.402 29.930 30.300 0.053 0.000 0.858 349 R HN 0.203 nan 8.270 nan 0.000 0.435 350 A N 1.359 124.231 122.820 0.086 0.000 1.883 350 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 350 A C 2.055 179.682 177.584 0.073 0.000 1.186 350 A CA 1.197 53.278 52.037 0.073 0.000 0.624 350 A CB -0.436 18.603 19.000 0.064 0.000 0.822 350 A HN 0.093 nan 8.150 nan 0.000 0.444 351 L N -1.907 119.366 121.223 0.084 0.000 2.083 351 L HA -0.129 4.211 4.340 -0.000 0.000 0.209 351 L C 2.327 179.243 176.870 0.078 0.000 1.083 351 L CA 1.840 56.722 54.840 0.070 0.000 0.752 351 L CB -1.429 40.682 42.059 0.087 0.000 0.899 351 L HN 0.609 nan 8.230 nan 0.000 0.433 352 Y N 0.613 120.913 120.300 -0.001 0.000 2.133 352 Y HA -0.236 4.314 4.550 -0.000 0.000 0.287 352 Y C 2.415 178.311 175.900 -0.006 0.000 1.134 352 Y CA 1.827 59.925 58.100 -0.003 0.000 1.133 352 Y CB -0.152 38.311 38.460 0.005 0.000 0.987 352 Y HN 0.245 nan 8.280 nan 0.000 0.502 353 D N 0.176 120.634 120.400 0.098 0.000 2.092 353 D HA -0.213 4.427 4.640 -0.000 0.000 0.193 353 D C 2.308 178.568 176.300 -0.067 0.000 0.994 353 D CA 1.648 55.650 54.000 0.002 0.000 0.828 353 D CB -0.810 40.031 40.800 0.069 0.000 0.963 353 D HN 0.465 nan 8.370 nan 0.000 0.450 354 A N 0.376 123.173 122.820 -0.037 0.000 1.948 354 A HA -0.212 4.108 4.320 -0.000 0.000 0.220 354 A C 2.362 179.883 177.584 -0.105 0.000 1.177 354 A CA 2.304 54.308 52.037 -0.055 0.000 0.636 354 A CB -0.934 18.042 19.000 -0.039 0.000 0.815 354 A HN 0.256 nan 8.150 nan 0.000 0.449 355 T N -0.452 114.010 114.554 -0.153 0.000 2.821 355 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 355 T C 1.941 176.531 174.700 -0.183 0.000 1.046 355 T CA 1.558 63.537 62.100 -0.201 0.000 1.139 355 T CB -0.130 68.598 68.868 -0.233 0.000 0.871 355 T HN 0.540 nan 8.240 nan 0.000 0.454 356 K N 0.670 120.927 120.400 -0.239 0.000 1.985 356 K HA -0.013 4.307 4.320 -0.000 0.000 0.210 356 K C 2.223 178.763 176.600 -0.099 0.000 1.047 356 K CA 1.120 57.292 56.287 -0.192 0.000 0.932 356 K CB -0.434 31.937 32.500 -0.214 0.000 0.716 356 K HN 0.263 nan 8.250 nan 0.000 0.439 357 L N 0.504 121.680 121.223 -0.078 0.000 1.933 357 L HA -0.259 4.081 4.340 -0.000 0.000 0.220 357 L C 2.443 179.292 176.870 -0.035 0.000 1.078 357 L CA 1.379 56.194 54.840 -0.043 0.000 0.773 357 L CB -0.991 41.049 42.059 -0.031 0.000 0.890 357 L HN 0.017 nan 8.230 nan 0.000 0.434 358 V N -0.909 118.981 119.914 -0.041 0.000 2.255 358 V HA -0.255 3.865 4.120 -0.000 0.000 0.247 358 V C 1.729 177.817 176.094 -0.010 0.000 1.051 358 V CA 1.854 64.137 62.300 -0.027 0.000 1.018 358 V CB -0.490 31.307 31.823 -0.043 0.000 0.641 358 V HN 0.427 nan 8.190 nan 0.000 0.445 359 S N -0.078 115.613 115.700 -0.015 0.000 4.139 359 S HA 0.457 4.927 4.470 -0.000 0.000 0.215 359 S C 0.610 175.215 174.600 0.008 0.000 1.390 359 S CA 0.432 58.650 58.200 0.030 0.000 0.885 359 S CB -1.309 61.945 63.200 0.090 0.000 1.560 359 S HN 1.082 nan 8.310 nan 0.000 0.449 360 G N 4.028 112.830 108.800 0.004 0.000 2.525 360 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.248 360 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.248 360 G C -0.451 174.441 174.900 -0.014 0.000 1.238 360 G CA -0.200 44.898 45.100 -0.003 0.000 0.926 360 G HN 0.889 nan 8.290 nan 0.000 0.574 361 R N 1.213 121.705 120.500 -0.014 0.000 2.500 361 R HA 0.595 4.935 4.340 -0.000 0.000 0.275 361 R C -1.818 174.465 176.300 -0.028 0.000 1.051 361 R CA -1.259 54.832 56.100 -0.016 0.000 1.088 361 R CB 0.260 30.555 30.300 -0.009 0.000 1.063 361 R HN 0.511 nan 8.270 nan 0.000 0.511 362 P HA 0.116 nan 4.420 nan 0.000 0.339 362 P C 0.427 177.717 177.300 -0.016 0.000 1.413 362 P CA 0.564 63.642 63.100 -0.038 0.000 0.833 362 P CB -0.142 31.545 31.700 -0.022 0.000 2.004 363 G N 0.003 108.808 108.800 0.010 0.000 2.642 363 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.231 363 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.231 363 G C 0.496 175.425 174.900 0.049 0.000 1.338 363 G CA 0.439 45.558 45.100 0.031 0.000 0.883 363 G HN 0.709 nan 8.290 nan 0.000 0.570 364 E N 0.573 120.804 120.200 0.050 0.000 2.465 364 E HA 0.060 4.410 4.350 -0.000 0.000 0.191 364 E C 1.574 178.198 176.600 0.040 0.000 1.053 364 E CA 1.171 57.609 56.400 0.064 0.000 0.869 364 E CB 0.145 29.877 29.700 0.053 0.000 0.977 364 E HN 0.808 nan 8.360 nan 0.000 0.483 365 E N 1.159 121.371 120.200 0.020 0.000 2.347 365 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 365 E C 1.867 178.467 176.600 0.001 0.000 1.008 365 E CA 0.966 57.371 56.400 0.007 0.000 0.852 365 E CB 0.088 29.787 29.700 -0.001 0.000 0.783 365 E HN 0.230 nan 8.360 nan 0.000 0.505 366 V N -0.353 119.558 119.914 -0.005 0.000 2.407 366 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 366 V C 2.070 178.175 176.094 0.019 0.000 1.055 366 V CA 1.319 63.606 62.300 -0.021 0.000 1.049 366 V CB -0.608 31.149 31.823 -0.111 0.000 0.662 366 V HN 0.093 nan 8.190 nan 0.000 0.455 367 K N 0.659 121.086 120.400 0.045 0.000 2.144 367 K HA -0.284 4.036 4.320 -0.000 0.000 0.209 367 K C 2.247 178.857 176.600 0.016 0.000 1.047 367 K CA 2.426 58.741 56.287 0.046 0.000 0.927 367 K CB -0.467 32.059 32.500 0.043 0.000 0.716 367 K HN 0.707 nan 8.250 nan 0.000 0.454 368 Q N -0.464 119.339 119.800 0.004 0.000 2.297 368 Q HA -0.116 4.224 4.340 -0.000 0.000 0.204 368 Q C 1.958 177.941 176.000 -0.029 0.000 0.962 368 Q CA 0.952 56.746 55.803 -0.015 0.000 0.879 368 Q CB 0.029 28.757 28.738 -0.017 0.000 0.947 368 Q HN 0.100 nan 8.270 nan 0.000 0.462 369 R N -0.354 120.137 120.500 -0.016 0.000 2.250 369 R HA 0.168 4.508 4.340 -0.000 0.000 0.194 369 R C -0.517 175.787 176.300 0.007 0.000 0.927 369 R CA 0.130 56.211 56.100 -0.031 0.000 1.052 369 R CB 0.603 30.902 30.300 -0.002 0.000 1.055 369 R HN 0.050 nan 8.270 nan 0.000 0.537 370 L N 1.161 122.413 121.223 0.048 0.000 2.349 370 L HA 0.583 4.923 4.340 -0.000 0.000 0.278 370 L C -1.354 175.550 176.870 0.057 0.000 0.996 370 L CA -0.833 54.059 54.840 0.087 0.000 0.825 370 L CB 1.553 43.676 42.059 0.105 0.000 1.243 370 L HN -0.082 nan 8.230 nan 0.000 0.412 371 R N 2.629 123.148 120.500 0.032 0.000 2.387 371 R HA 0.662 5.002 4.340 -0.000 0.000 0.314 371 R C -1.150 175.131 176.300 -0.032 0.000 0.958 371 R CA -0.192 55.903 56.100 -0.008 0.000 0.846 371 R CB 1.452 31.730 30.300 -0.038 0.000 1.147 371 R HN 0.707 nan 8.270 nan 0.000 0.447 372 T N 3.004 117.519 114.554 -0.064 0.000 2.749 372 T HA 0.764 5.114 4.350 -0.000 0.000 0.287 372 T C -0.390 174.087 174.700 -0.370 0.000 0.970 372 T CA 0.093 62.104 62.100 -0.147 0.000 0.980 372 T CB 1.336 70.153 68.868 -0.084 0.000 0.924 372 T HN 0.778 nan 8.240 nan 0.000 0.456 373 G N 1.881 110.333 108.800 -0.579 0.000 2.490 373 G HA2 0.474 4.434 3.960 -0.000 0.000 0.308 373 G HA3 0.474 4.434 3.960 -0.000 0.000 0.308 373 G C -0.996 173.502 174.900 -0.669 0.000 1.286 373 G CA -0.678 43.880 45.100 -0.903 0.000 0.825 373 G HN 0.514 nan 8.290 nan 0.000 0.479 374 T N 0.410 114.810 114.554 -0.258 0.000 2.832 374 T HA 0.519 4.869 4.350 -0.000 0.000 0.296 374 T C -0.016 174.594 174.700 -0.151 0.000 0.968 374 T CA -0.030 62.033 62.100 -0.062 0.000 1.107 374 T CB 1.312 70.216 68.868 0.060 0.000 0.916 374 T HN 0.468 nan 8.240 nan 0.000 0.517 375 V N 4.194 124.010 119.914 -0.165 0.000 2.513 375 V HA 0.408 4.528 4.120 -0.000 0.000 0.299 375 V C -0.017 176.018 176.094 -0.097 0.000 1.035 375 V CA -0.785 61.438 62.300 -0.128 0.000 0.889 375 V CB 1.955 33.749 31.823 -0.048 0.000 0.988 375 V HN 0.662 nan 8.190 nan 0.000 0.440 376 V N 3.501 123.292 119.914 -0.205 0.000 2.394 376 V HA 0.402 4.522 4.120 -0.000 0.000 0.282 376 V C 0.314 176.309 176.094 -0.164 0.000 1.031 376 V CA -0.236 61.925 62.300 -0.232 0.000 0.881 376 V CB 1.611 33.135 31.823 -0.499 0.000 0.982 376 V HN 0.952 nan 8.190 nan 0.000 0.451 377 T N 3.762 118.259 114.554 -0.095 0.000 2.756 377 T HA 0.462 4.812 4.350 -0.000 0.000 0.290 377 T C 0.015 174.646 174.700 -0.115 0.000 0.985 377 T CA -0.145 61.906 62.100 -0.083 0.000 0.955 377 T CB 1.331 70.160 68.868 -0.064 0.000 0.930 377 T HN 0.801 nan 8.240 nan 0.000 0.451 378 T N 1.076 115.573 114.554 -0.096 0.000 2.942 378 T HA 0.414 4.764 4.350 -0.000 0.000 0.289 378 T C 0.003 174.685 174.700 -0.030 0.000 1.044 378 T CA -0.849 61.202 62.100 -0.081 0.000 1.023 378 T CB 1.213 70.061 68.868 -0.032 0.000 1.123 378 T HN 0.606 nan 8.240 nan 0.000 0.512 379 D N 0.829 121.216 120.400 -0.022 0.000 2.402 379 D HA 0.158 4.798 4.640 -0.000 0.000 0.216 379 D C -0.133 176.226 176.300 0.098 0.000 1.128 379 D CA -0.198 53.823 54.000 0.035 0.000 0.833 379 D CB 0.207 41.037 40.800 0.051 0.000 0.971 379 D HN 0.395 nan 8.370 nan 0.000 0.503 380 D N 0.622 121.106 120.400 0.140 0.000 2.458 380 D HA 0.153 4.793 4.640 -0.000 0.000 0.258 380 D C 1.331 177.797 176.300 0.277 0.000 1.134 380 D CA -0.587 53.528 54.000 0.191 0.000 0.915 380 D CB 1.071 42.000 40.800 0.215 0.000 1.028 380 D HN -0.220 nan 8.370 nan 0.000 0.508 381 R N 2.500 123.119 120.500 0.199 0.000 2.119 381 R HA -0.087 4.253 4.340 -0.000 0.000 0.246 381 R C 0.472 176.834 176.300 0.105 0.000 1.146 381 R CA 1.477 57.693 56.100 0.194 0.000 0.962 381 R CB -0.259 30.101 30.300 0.100 0.000 0.863 381 R HN 0.239 nan 8.270 nan 0.000 0.442 382 N N 1.121 119.850 118.700 0.049 0.000 2.389 382 N HA -0.031 4.709 4.740 -0.000 0.000 0.237 382 N C 0.522 175.981 175.510 -0.085 0.000 1.148 382 N CA 0.463 53.459 53.050 -0.089 0.000 0.854 382 N CB -0.303 38.155 38.487 -0.049 0.000 1.115 382 N HN 0.493 nan 8.380 nan 0.000 0.492 383 W N 0.880 122.221 121.300 0.069 0.000 2.341 383 W HA -0.179 4.481 4.660 -0.000 0.000 0.283 383 W C 0.494 177.057 176.519 0.072 0.000 1.215 383 W CA 0.448 57.844 57.345 0.085 0.000 1.211 383 W CB -0.733 28.811 29.460 0.141 0.000 1.131 383 W HN 0.066 nan 8.180 nan 0.000 0.552 384 E N 1.334 121.082 120.200 -0.754 0.000 2.209 384 E HA -0.155 4.195 4.350 -0.000 0.000 0.196 384 E C 2.219 178.703 176.600 -0.193 0.000 0.993 384 E CA 1.656 57.665 56.400 -0.652 0.000 0.819 384 E CB -0.737 28.457 29.700 -0.843 0.000 0.745 384 E HN 0.324 nan 8.360 nan 0.000 0.477 385 L N 0.005 121.150 121.223 -0.131 0.000 2.549 385 L HA -0.038 4.302 4.340 -0.000 0.000 0.229 385 L C 0.809 177.690 176.870 0.019 0.000 1.158 385 L CA 0.790 55.601 54.840 -0.048 0.000 0.842 385 L CB -0.055 41.982 42.059 -0.038 0.000 0.952 385 L HN -0.003 nan 8.230 nan 0.000 0.452 386 R N -1.999 118.546 120.500 0.075 0.000 2.711 386 R HA 0.052 4.392 4.340 -0.000 0.000 0.350 386 R C 0.562 176.948 176.300 0.144 0.000 1.146 386 R CA -0.272 55.883 56.100 0.091 0.000 1.190 386 R CB 0.254 30.610 30.300 0.093 0.000 1.312 386 R HN -0.035 nan 8.270 nan 0.000 0.635 387 Y N 2.045 122.351 120.300 0.011 0.000 2.081 387 Y HA -0.323 4.227 4.550 -0.000 0.000 0.280 387 Y C 2.284 178.140 175.900 -0.074 0.000 1.163 387 Y CA 2.186 60.285 58.100 -0.001 0.000 1.135 387 Y CB -0.308 38.146 38.460 -0.011 0.000 0.970 387 Y HN 0.241 nan 8.280 nan 0.000 0.498 388 S N 0.636 116.161 115.700 -0.292 0.000 2.368 388 S HA -0.332 4.138 4.470 -0.000 0.000 0.226 388 S C 2.323 176.742 174.600 -0.302 0.000 1.044 388 S CA 1.820 59.789 58.200 -0.383 0.000 1.062 388 S CB -1.552 61.538 63.200 -0.182 0.000 0.931 388 S HN 0.578 nan 8.310 nan 0.000 0.440 389 A N 1.457 124.183 122.820 -0.156 0.000 1.978 389 A HA -0.044 4.276 4.320 -0.000 0.000 0.220 389 A C 2.419 179.925 177.584 -0.130 0.000 1.170 389 A CA 2.020 53.996 52.037 -0.101 0.000 0.636 389 A CB -0.984 18.000 19.000 -0.027 0.000 0.810 389 A HN 0.593 nan 8.150 nan 0.000 0.448 390 S N -0.620 114.962 115.700 -0.197 0.000 2.404 390 S HA 0.204 4.674 4.470 -0.000 0.000 0.223 390 S C 2.333 176.610 174.600 -0.537 0.000 1.040 390 S CA 0.684 58.694 58.200 -0.317 0.000 0.957 390 S CB -0.432 62.531 63.200 -0.395 0.000 0.826 390 S HN 0.816 nan 8.310 nan 0.000 0.491 391 A N 2.126 124.544 122.820 -0.670 0.000 1.929 391 A HA -0.223 4.097 4.320 -0.000 0.000 0.221 391 A C 2.114 179.564 177.584 -0.223 0.000 1.211 391 A CA 1.992 53.682 52.037 -0.579 0.000 0.657 391 A CB -1.034 17.416 19.000 -0.916 0.000 0.827 391 A HN 0.435 nan 8.150 nan 0.000 0.462 392 L N -0.410 120.703 121.223 -0.184 0.000 2.042 392 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 392 L C 2.525 179.401 176.870 0.011 0.000 1.076 392 L CA 2.217 57.016 54.840 -0.068 0.000 0.749 392 L CB -0.462 41.558 42.059 -0.066 0.000 0.893 392 L HN 0.393 nan 8.230 nan 0.000 0.432 393 R N -1.622 118.899 120.500 0.036 0.000 2.066 393 R HA -0.134 4.206 4.340 -0.000 0.000 0.232 393 R C 2.236 178.688 176.300 0.253 0.000 1.131 393 R CA 1.536 57.716 56.100 0.133 0.000 0.955 393 R CB -0.596 29.804 30.300 0.166 0.000 0.851 393 R HN 0.266 nan 8.270 nan 0.000 0.432 394 F N 1.518 121.454 119.950 -0.023 0.000 2.095 394 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 394 F C 2.262 178.064 175.800 0.004 0.000 1.104 394 F CA 0.846 58.836 58.000 -0.017 0.000 1.232 394 F CB -1.111 37.901 39.000 0.020 0.000 0.987 394 F HN 0.159 nan 8.300 nan 0.000 0.475 395 N N 0.275 119.111 118.700 0.227 0.000 2.142 395 N HA -0.160 4.580 4.740 -0.000 0.000 0.186 395 N C 1.913 177.473 175.510 0.084 0.000 1.023 395 N CA 0.749 53.876 53.050 0.128 0.000 0.852 395 N CB -0.138 38.399 38.487 0.083 0.000 0.998 395 N HN 0.101 nan 8.380 nan 0.000 0.424 396 L N 1.258 122.526 121.223 0.075 0.000 2.083 396 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 396 L C 2.336 179.233 176.870 0.044 0.000 1.083 396 L CA 1.558 56.428 54.840 0.049 0.000 0.752 396 L CB -0.929 41.155 42.059 0.042 0.000 0.899 396 L HN 0.247 nan 8.230 nan 0.000 0.433 397 S N -1.675 114.056 115.700 0.052 0.000 2.575 397 S HA 0.047 4.517 4.470 -0.000 0.000 0.215 397 S C 0.715 175.330 174.600 0.026 0.000 0.966 397 S CA -0.458 57.760 58.200 0.029 0.000 0.911 397 S CB -0.040 63.166 63.200 0.009 0.000 0.780 397 S HN 0.380 nan 8.310 nan 0.000 0.514 398 R N 0.439 120.962 120.500 0.040 0.000 3.525 398 R HA -0.130 4.210 4.340 -0.000 0.000 0.276 398 R C 0.373 176.671 176.300 -0.004 0.000 1.116 398 R CA 0.777 56.898 56.100 0.034 0.000 0.745 398 R CB -3.106 27.220 30.300 0.043 0.000 1.185 398 R HN 0.771 nan 8.270 nan 0.000 0.454 399 A N -0.002 122.795 122.820 -0.039 0.000 2.561 399 A HA 0.215 4.535 4.320 -0.000 0.000 0.234 399 A C 1.497 179.003 177.584 -0.130 0.000 1.055 399 A CA 0.660 52.605 52.037 -0.153 0.000 0.756 399 A CB 0.549 19.325 19.000 -0.373 0.000 0.986 399 A HN 0.140 nan 8.150 nan 0.000 0.505 400 V N 1.321 121.142 119.914 -0.156 0.000 3.484 400 V HA 0.491 4.611 4.120 -0.000 0.000 0.252 400 V C 0.928 176.950 176.094 -0.120 0.000 1.282 400 V CA 1.544 63.775 62.300 -0.116 0.000 1.104 400 V CB 0.109 31.856 31.823 -0.126 0.000 0.868 400 V HN 1.328 nan 8.190 nan 0.000 0.457 401 A N -0.362 122.354 122.820 -0.172 0.000 2.602 401 A HA 0.808 5.128 4.320 -0.000 0.000 0.290 401 A C -1.758 175.685 177.584 -0.235 0.000 1.114 401 A CA -0.371 51.578 52.037 -0.147 0.000 0.683 401 A CB 1.915 20.869 19.000 -0.078 0.000 1.281 401 A HN 0.128 nan 8.150 nan 0.000 0.416 402 I N 1.091 121.551 120.570 -0.184 0.000 2.607 402 I HA 0.564 4.734 4.170 -0.000 0.000 0.290 402 I C -1.781 174.299 176.117 -0.062 0.000 1.129 402 I CA -0.322 60.836 61.300 -0.237 0.000 1.042 402 I CB 1.819 39.545 38.000 -0.458 0.000 1.242 402 I HN 0.960 nan 8.210 nan 0.000 0.421 406 S N 1.324 116.994 115.700 -0.049 0.000 2.404 406 S HA -0.316 4.154 4.470 -0.000 0.000 0.230 406 S C 2.132 176.569 174.600 -0.272 0.000 1.046 406 S CA 1.995 60.183 58.200 -0.019 0.000 1.135 406 S CB -0.614 62.702 63.200 0.194 0.000 1.056 406 S HN 0.453 nan 8.310 nan 0.000 0.426 407 A N 1.017 123.659 122.820 -0.297 0.000 1.940 407 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 407 A C 2.331 179.653 177.584 -0.438 0.000 1.176 407 A CA 2.210 53.911 52.037 -0.561 0.000 0.631 407 A CB -1.366 17.498 19.000 -0.227 0.000 0.814 407 A HN 0.559 nan 8.150 nan 0.000 0.446 408 T N 0.464 114.849 114.554 -0.282 0.000 2.701 408 T HA -0.097 4.253 4.350 -0.000 0.000 0.263 408 T C 1.809 176.363 174.700 -0.242 0.000 1.040 408 T CA 1.383 63.343 62.100 -0.233 0.000 1.147 408 T CB -0.296 68.455 68.868 -0.195 0.000 0.865 408 T HN 0.294 nan 8.240 nan 0.000 0.426 409 I N 2.005 122.419 120.570 -0.260 0.000 2.163 409 I HA -0.162 4.008 4.170 -0.000 0.000 0.243 409 I C 2.941 179.027 176.117 -0.051 0.000 1.085 409 I CA 1.311 62.483 61.300 -0.214 0.000 1.347 409 I CB -1.695 36.186 38.000 -0.199 0.000 1.044 409 I HN 0.207 nan 8.210 nan 0.000 0.408 410 A N 0.781 123.429 122.820 -0.287 0.000 1.877 410 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 410 A C 2.584 179.733 177.584 -0.725 0.000 1.186 410 A CA 2.161 53.827 52.037 -0.620 0.000 0.620 410 A CB -0.897 17.537 19.000 -0.943 0.000 0.822 410 A HN 0.421 nan 8.150 nan 0.000 0.443 411 A N -1.176 121.353 122.820 -0.486 0.000 1.908 411 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 411 A C 2.143 179.621 177.584 -0.177 0.000 1.181 411 A CA 1.715 53.552 52.037 -0.333 0.000 0.627 411 A CB -0.509 18.329 19.000 -0.270 0.000 0.818 411 A HN 0.521 nan 8.150 nan 0.000 0.445 412 Q N -0.623 119.124 119.800 -0.088 0.000 2.084 412 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 412 Q C 2.266 178.409 176.000 0.238 0.000 0.978 412 Q CA 1.549 57.384 55.803 0.053 0.000 0.844 412 Q CB -0.893 27.999 28.738 0.257 0.000 0.898 412 Q HN 0.667 nan 8.270 nan 0.000 0.426 413 G N -0.015 108.996 108.800 0.352 0.000 2.446 413 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 413 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 413 G C 1.389 176.346 174.900 0.094 0.000 1.168 413 G CA 0.958 46.181 45.100 0.204 0.000 0.771 413 G HN 0.427 nan 8.290 nan 0.000 0.551 414 Y N 1.545 121.722 120.300 -0.205 0.000 2.128 414 Y HA -0.151 4.399 4.550 -0.000 0.000 0.284 414 Y C 3.080 178.921 175.900 -0.098 0.000 1.154 414 Y CA 2.152 60.227 58.100 -0.042 0.000 1.149 414 Y CB -0.129 38.245 38.460 -0.142 0.000 0.976 414 Y HN 0.038 nan 8.280 nan 0.000 0.505 415 R N -0.822 119.649 120.500 -0.048 0.000 2.091 415 R HA -0.165 4.175 4.340 -0.000 0.000 0.238 415 R C 1.232 177.302 176.300 -0.384 0.000 1.136 415 R CA 1.649 57.559 56.100 -0.318 0.000 0.959 415 R CB -0.607 29.322 30.300 -0.619 0.000 0.856 415 R HN 0.345 nan 8.270 nan 0.000 0.437 416 F N 0.490 120.444 119.950 0.006 0.000 2.660 416 F HA 0.243 4.770 4.527 -0.000 0.000 0.297 416 F C 0.189 175.841 175.800 -0.246 0.000 1.132 416 F CA -0.634 57.321 58.000 -0.076 0.000 1.372 416 F CB -0.096 38.974 39.000 0.117 0.000 1.003 416 F HN -0.198 nan 8.300 nan 0.000 0.524 417 R N -0.361 120.078 120.500 -0.101 0.000 3.322 417 R HA -0.145 4.195 4.340 -0.000 0.000 0.253 417 R C -1.271 174.926 176.300 -0.172 0.000 0.987 417 R CA 0.111 56.129 56.100 -0.137 0.000 0.666 417 R CB -2.509 27.703 30.300 -0.147 0.000 1.072 417 R HN 0.085 nan 8.270 nan 0.000 0.447 418 V N 0.860 120.640 119.914 -0.224 0.000 2.350 418 V HA 0.336 4.456 4.120 -0.000 0.000 0.285 418 V C -1.880 173.984 176.094 -0.383 0.000 1.014 418 V CA -2.187 59.839 62.300 -0.457 0.000 0.831 418 V CB 2.110 33.341 31.823 -0.987 0.000 1.000 418 V HN 0.019 nan 8.190 nan 0.000 0.433 419 P HA 0.050 nan 4.420 nan 0.000 0.264 419 P C -1.262 175.891 177.300 -0.246 0.000 1.179 419 P CA 0.636 63.516 63.100 -0.367 0.000 0.763 419 P CB 0.081 31.540 31.700 -0.402 0.000 0.806 420 Y N 0.098 120.362 120.300 -0.059 0.000 2.615 420 Y HA 0.891 5.441 4.550 -0.000 0.000 0.341 420 Y C -0.193 175.816 175.900 0.181 0.000 1.089 420 Y CA -1.395 56.774 58.100 0.114 0.000 1.049 420 Y CB 1.023 39.623 38.460 0.234 0.000 1.296 420 Y HN 0.577 nan 8.280 nan 0.000 0.470 421 G N -0.242 108.808 108.800 0.416 0.000 2.673 421 G HA2 0.546 4.506 3.960 -0.000 0.000 0.292 421 G HA3 0.546 4.506 3.960 -0.000 0.000 0.292 421 G C -1.970 173.142 174.900 0.354 0.000 1.450 421 G CA -1.040 44.253 45.100 0.322 0.000 0.837 421 G HN 0.683 nan 8.290 nan 0.000 0.505 422 T N 0.499 115.243 114.554 0.316 0.000 2.928 422 T HA 0.551 4.901 4.350 -0.000 0.000 0.296 422 T C -1.328 173.490 174.700 0.195 0.000 1.000 422 T CA -0.319 61.948 62.100 0.278 0.000 0.989 422 T CB 1.539 70.630 68.868 0.371 0.000 1.005 422 T HN 0.637 nan 8.240 nan 0.000 0.442 423 L N 4.994 126.329 121.223 0.186 0.000 2.471 423 L HA 0.605 4.945 4.340 -0.000 0.000 0.263 423 L C -1.389 175.657 176.870 0.294 0.000 0.985 423 L CA -0.400 54.550 54.840 0.185 0.000 0.868 423 L CB 0.547 42.691 42.059 0.142 0.000 1.203 423 L HN 0.593 nan 8.230 nan 0.000 0.429 424 L N 3.141 124.502 121.223 0.229 0.000 2.365 424 L HA 0.639 4.979 4.340 -0.000 0.000 0.267 424 L C -0.436 176.537 176.870 0.171 0.000 1.033 424 L CA -0.798 54.195 54.840 0.255 0.000 0.802 424 L CB 1.831 43.988 42.059 0.164 0.000 1.267 424 L HN 0.621 nan 8.230 nan 0.000 0.457 425 C N 1.309 120.698 119.300 0.148 0.000 2.364 425 C HA 0.530 4.990 4.460 -0.000 0.000 0.324 425 C C 0.072 175.020 174.990 -0.070 0.000 1.234 425 C CA -0.617 58.382 59.018 -0.032 0.000 1.417 425 C CB 0.804 28.480 27.740 -0.107 0.000 2.101 425 C HN 0.494 nan 8.230 nan 0.000 0.466 426 V N 7.014 126.842 119.914 -0.142 0.000 2.493 426 V HA 0.133 4.253 4.120 -0.000 0.000 0.292 426 V C 1.330 177.289 176.094 -0.225 0.000 1.016 426 V CA 1.230 63.446 62.300 -0.141 0.000 1.097 426 V CB 0.856 32.598 31.823 -0.134 0.000 0.947 426 V HN 1.061 nan 8.190 nan 0.000 0.479 427 S N 1.753 117.310 115.700 -0.239 0.000 2.540 427 S HA 0.208 4.678 4.470 -0.000 0.000 0.222 427 S C 0.202 174.694 174.600 -0.179 0.000 1.008 427 S CA -0.003 57.990 58.200 -0.344 0.000 0.939 427 S CB 0.109 62.974 63.200 -0.558 0.000 0.865 427 S HN 0.914 nan 8.310 nan 0.000 0.499 428 D N 0.007 120.348 120.400 -0.098 0.000 2.710 428 D HA 0.243 4.883 4.640 -0.000 0.000 0.276 428 D C -1.730 174.572 176.300 0.004 0.000 1.267 428 D CA -0.647 53.326 54.000 -0.044 0.000 0.772 428 D CB 0.857 41.643 40.800 -0.024 0.000 1.299 428 D HN 0.049 nan 8.370 nan 0.000 0.421 429 K N 0.693 121.111 120.400 0.030 0.000 2.687 429 K HA 0.319 4.639 4.320 -0.000 0.000 0.197 429 K C -2.176 174.482 176.600 0.096 0.000 1.049 429 K CA -1.541 54.806 56.287 0.100 0.000 1.030 429 K CB 2.239 34.800 32.500 0.101 0.000 1.261 429 K HN 0.051 nan 8.250 nan 0.000 0.565 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 0.787 178.032 177.300 -0.092 0.000 1.150 430 P CA 0.888 63.984 63.100 -0.006 0.000 0.843 430 P CB 0.296 32.045 31.700 0.081 0.000 0.787 431 L N -2.713 118.458 121.223 -0.086 0.000 2.558 431 L HA 0.019 4.359 4.340 -0.000 0.000 0.225 431 L C 0.607 177.131 176.870 -0.576 0.000 1.128 431 L CA 1.286 55.895 54.840 -0.387 0.000 0.868 431 L CB -1.429 40.348 42.059 -0.469 0.000 1.006 431 L HN 0.100 nan 8.230 nan 0.000 0.454 432 H N -1.534 117.512 119.070 -0.039 0.000 2.528 432 H HA 0.496 5.052 4.556 -0.000 0.000 0.256 432 H C 1.280 176.586 175.328 -0.036 0.000 1.204 432 H CA -0.007 56.021 56.048 -0.032 0.000 0.955 432 H CB 0.102 29.852 29.762 -0.020 0.000 1.817 432 H HN 0.082 nan 8.280 nan 0.000 0.579 433 G N 1.182 109.987 108.800 0.007 0.000 2.258 433 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.274 433 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.274 433 G C 0.176 175.075 174.900 -0.001 0.000 1.021 433 G CA 0.315 45.412 45.100 -0.006 0.000 0.798 433 G HN 0.592 nan 8.290 nan 0.000 0.507 434 E N -0.536 119.667 120.200 0.005 0.000 3.898 434 E HA 0.358 4.708 4.350 -0.000 0.000 0.219 434 E C 0.020 176.609 176.600 -0.018 0.000 1.207 434 E CA -0.752 55.644 56.400 -0.006 0.000 1.240 434 E CB 0.546 30.246 29.700 0.000 0.000 1.239 434 E HN 0.337 nan 8.360 nan 0.000 0.422 435 I N 1.308 121.858 120.570 -0.034 0.000 2.823 435 I HA 0.047 4.217 4.170 -0.000 0.000 0.290 435 I C 1.131 177.224 176.117 -0.039 0.000 1.091 435 I CA -0.077 61.195 61.300 -0.047 0.000 1.365 435 I CB 0.420 38.378 38.000 -0.070 0.000 1.427 435 I HN 0.036 nan 8.210 nan 0.000 0.583 447 G N 1.637 110.437 108.800 0.000 0.000 2.674 447 G HA2 -0.493 3.467 3.960 -0.000 0.000 0.236 447 G HA3 -0.493 3.467 3.960 -0.000 0.000 0.236 447 G C 1.292 176.208 174.900 0.026 0.000 1.178 447 G CA 1.064 46.167 45.100 0.006 0.000 0.721 447 G HN 0.574 nan 8.290 nan 0.000 0.515 448 A N 0.240 123.080 122.820 0.033 0.000 2.016 448 A HA 0.500 4.820 4.320 -0.000 0.000 0.217 448 A C 2.359 180.033 177.584 0.149 0.000 1.162 448 A CA 1.551 53.635 52.037 0.078 0.000 0.662 448 A CB -0.255 18.756 19.000 0.018 0.000 0.812 448 A HN 0.693 nan 8.150 nan 0.000 0.450 449 I N -0.839 119.770 120.570 0.064 0.000 2.179 449 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 449 I C 2.828 178.915 176.117 -0.050 0.000 1.088 449 I CA 1.573 62.827 61.300 -0.078 0.000 1.357 449 I CB -0.252 37.583 38.000 -0.275 0.000 1.051 449 I HN 0.379 nan 8.210 nan 0.000 0.409 450 S N 0.174 115.857 115.700 -0.027 0.000 2.356 450 S HA -0.273 4.197 4.470 -0.000 0.000 0.223 450 S C 2.022 176.639 174.600 0.028 0.000 1.032 450 S CA 1.950 60.140 58.200 -0.016 0.000 1.005 450 S CB -0.236 62.957 63.200 -0.011 0.000 0.867 450 S HN 0.476 nan 8.310 nan 0.000 0.449 451 E N -0.272 119.978 120.200 0.083 0.000 2.051 451 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 451 E C 1.983 178.675 176.600 0.154 0.000 0.991 451 E CA 1.367 57.830 56.400 0.106 0.000 0.799 451 E CB -0.459 29.332 29.700 0.151 0.000 0.748 451 E HN 0.805 nan 8.360 nan 0.000 0.449 452 H N -0.295 118.864 119.070 0.148 0.000 2.289 452 H HA -0.183 4.373 4.556 -0.000 0.000 0.296 452 H C 2.349 177.733 175.328 0.093 0.000 1.091 452 H CA 1.361 57.502 56.048 0.154 0.000 1.274 452 H CB 0.021 30.044 29.762 0.436 0.000 1.364 452 H HN 0.249 nan 8.280 nan 0.000 0.490 453 L N 1.096 122.432 121.223 0.188 0.000 2.127 453 L HA -0.194 4.146 4.340 -0.000 0.000 0.211 453 L C 2.211 179.018 176.870 -0.106 0.000 1.089 453 L CA 1.452 56.310 54.840 0.029 0.000 0.757 453 L CB -0.588 41.508 42.059 0.061 0.000 0.899 453 L HN 0.340 nan 8.230 nan 0.000 0.434 454 Q N -0.378 119.357 119.800 -0.107 0.000 2.119 454 Q HA -0.096 4.244 4.340 -0.000 0.000 0.201 454 Q C 2.334 178.258 176.000 -0.125 0.000 0.972 454 Q CA 1.831 57.528 55.803 -0.178 0.000 0.847 454 Q CB -0.231 28.433 28.738 -0.123 0.000 0.903 454 Q HN 0.621 nan 8.270 nan 0.000 0.433 455 I N -0.202 120.319 120.570 -0.082 0.000 2.226 455 I HA -0.202 3.968 4.170 -0.000 0.000 0.245 455 I C 2.284 178.357 176.117 -0.074 0.000 1.100 455 I CA 1.197 62.441 61.300 -0.093 0.000 1.374 455 I CB -0.710 37.199 38.000 -0.153 0.000 1.057 455 I HN 0.197 nan 8.210 nan 0.000 0.413 456 G N 1.524 110.280 108.800 -0.073 0.000 2.459 456 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 456 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 456 G C 1.692 176.551 174.900 -0.070 0.000 1.183 456 G CA 0.803 45.861 45.100 -0.070 0.000 0.776 456 G HN 0.325 nan 8.290 nan 0.000 0.552 457 I N 0.210 120.703 120.570 -0.128 0.000 2.226 457 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 457 I C 2.808 178.881 176.117 -0.073 0.000 1.100 457 I CA 1.243 62.458 61.300 -0.142 0.000 1.374 457 I CB -0.186 37.586 38.000 -0.381 0.000 1.057 457 I HN 0.079 nan 8.210 nan 0.000 0.413 458 R N 1.682 122.137 120.500 -0.074 0.000 2.096 458 R HA -0.094 4.246 4.340 -0.000 0.000 0.235 458 R C 2.183 178.473 176.300 -0.017 0.000 1.127 458 R CA 1.752 57.833 56.100 -0.033 0.000 0.968 458 R CB -0.692 29.586 30.300 -0.038 0.000 0.861 458 R HN 0.350 nan 8.270 nan 0.000 0.440 459 A N 0.918 123.729 122.820 -0.015 0.000 1.877 459 A HA -0.104 4.216 4.320 -0.000 0.000 0.216 459 A C 2.126 179.726 177.584 0.027 0.000 1.186 459 A CA 1.530 53.575 52.037 0.014 0.000 0.620 459 A CB -0.552 18.463 19.000 0.024 0.000 0.822 459 A HN 0.294 nan 8.150 nan 0.000 0.443 460 I N 0.441 121.023 120.570 0.020 0.000 2.118 460 I HA -0.257 3.913 4.170 -0.000 0.000 0.241 460 I C 2.009 178.061 176.117 -0.107 0.000 1.070 460 I CA 1.953 63.257 61.300 0.008 0.000 1.327 460 I CB -1.505 36.497 38.000 0.004 0.000 1.034 460 I HN 0.303 nan 8.210 nan 0.000 0.405 461 D N 1.054 121.409 120.400 -0.074 0.000 2.106 461 D HA -0.185 4.455 4.640 -0.000 0.000 0.191 461 D C 2.416 178.684 176.300 -0.052 0.000 0.997 461 D CA 1.193 55.148 54.000 -0.074 0.000 0.834 461 D CB -0.477 40.319 40.800 -0.008 0.000 0.956 461 D HN 0.272 nan 8.370 nan 0.000 0.448 462 L N 0.215 121.431 121.223 -0.012 0.000 2.013 462 L HA -0.201 4.139 4.340 -0.000 0.000 0.212 462 L C 2.645 179.533 176.870 0.031 0.000 1.073 462 L CA 0.855 55.703 54.840 0.013 0.000 0.753 462 L CB -0.419 41.656 42.059 0.026 0.000 0.890 462 L HN 0.077 nan 8.230 nan 0.000 0.432 463 L N -0.870 120.383 121.223 0.050 0.000 2.093 463 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 463 L C 2.838 179.798 176.870 0.150 0.000 1.085 463 L CA 0.953 55.866 54.840 0.122 0.000 0.755 463 L CB -0.490 41.688 42.059 0.198 0.000 0.904 463 L HN 0.262 nan 8.230 nan 0.000 0.435 464 R N 0.504 120.996 120.500 -0.012 0.000 2.081 464 R HA -0.165 4.175 4.340 -0.000 0.000 0.235 464 R C 2.272 178.589 176.300 0.029 0.000 1.131 464 R CA 1.479 57.527 56.100 -0.086 0.000 0.960 464 R CB -0.176 29.826 30.300 -0.497 0.000 0.856 464 R HN 0.327 nan 8.270 nan 0.000 0.436 465 A N 0.639 123.460 122.820 0.002 0.000 1.969 465 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 465 A C 1.873 179.487 177.584 0.050 0.000 1.169 465 A CA 1.447 53.496 52.037 0.020 0.000 0.635 465 A CB -0.390 18.614 19.000 0.007 0.000 0.810 465 A HN 0.460 nan 8.150 nan 0.000 0.445 466 E N -0.557 119.683 120.200 0.067 0.000 2.219 466 E HA 0.043 4.393 4.350 -0.000 0.000 0.198 466 E C 1.365 178.020 176.600 0.093 0.000 0.998 466 E CA 1.297 57.744 56.400 0.079 0.000 0.818 466 E CB -0.451 29.307 29.700 0.096 0.000 0.741 466 E HN 0.806 nan 8.360 nan 0.000 0.477 467 G N -0.129 108.741 108.800 0.116 0.000 2.557 467 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.292 467 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.292 467 G C 0.696 175.684 174.900 0.147 0.000 1.162 467 G CA 0.300 45.471 45.100 0.118 0.000 0.964 467 G HN 0.356 nan 8.290 nan 0.000 0.541 468 D N 0.759 121.232 120.400 0.121 0.000 2.354 468 D HA 0.094 4.734 4.640 -0.000 0.000 0.209 468 D C 2.553 178.943 176.300 0.149 0.000 1.015 468 D CA 0.305 54.395 54.000 0.150 0.000 0.867 468 D CB 0.048 40.905 40.800 0.095 0.000 0.933 468 D HN 0.262 nan 8.370 nan 0.000 0.520 469 R N 0.850 121.412 120.500 0.105 0.000 2.249 469 R HA -0.107 4.233 4.340 -0.000 0.000 0.230 469 R C 1.985 178.350 176.300 0.108 0.000 1.121 469 R CA 0.187 56.336 56.100 0.081 0.000 0.997 469 R CB -0.601 29.734 30.300 0.058 0.000 0.867 469 R HN 0.165 nan 8.270 nan 0.000 0.465 470 L N -0.230 121.094 121.223 0.168 0.000 1.989 470 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 470 L C 0.010 176.963 176.870 0.138 0.000 1.071 470 L CA 1.786 56.728 54.840 0.170 0.000 0.749 470 L CB -0.443 41.776 42.059 0.266 0.000 0.890 470 L HN 0.152 nan 8.230 nan 0.000 0.431 471 H N -0.409 118.720 119.070 0.098 0.000 2.690 471 H HA 0.501 5.057 4.556 -0.000 0.000 0.314 471 H C 0.439 175.805 175.328 0.064 0.000 1.069 471 H CA 0.114 56.231 56.048 0.116 0.000 1.436 471 H CB 0.719 30.668 29.762 0.311 0.000 1.462 471 H HN 0.419 nan 8.280 nan 0.000 0.511 472 S N 2.165 117.918 115.700 0.088 0.000 2.841 472 S HA 0.470 4.940 4.470 -0.000 0.000 0.318 472 S C 0.762 175.376 174.600 0.024 0.000 1.127 472 S CA -1.082 57.138 58.200 0.033 0.000 0.883 472 S CB 1.875 65.073 63.200 -0.004 0.000 1.271 472 S HN 0.642 nan 8.310 nan 0.000 0.567 473 R N 0.191 120.687 120.500 -0.007 0.000 2.317 473 R HA 0.249 4.589 4.340 -0.000 0.000 0.208 473 R C 1.456 177.739 176.300 -0.028 0.000 0.914 473 R CA -0.001 56.087 56.100 -0.021 0.000 1.060 473 R CB -0.131 30.143 30.300 -0.042 0.000 1.015 473 R HN 0.591 nan 8.270 nan 0.000 0.498 474 K N 0.634 121.023 120.400 -0.017 0.000 2.281 474 K HA -0.102 4.218 4.320 -0.000 0.000 0.203 474 K C 1.285 177.878 176.600 -0.012 0.000 1.046 474 K CA 1.016 57.303 56.287 0.001 0.000 0.938 474 K CB 0.080 32.590 32.500 0.017 0.000 0.737 474 K HN 0.235 nan 8.250 nan 0.000 0.458 475 L N 0.115 121.307 121.223 -0.051 0.000 2.640 475 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 475 L C 0.436 177.226 176.870 -0.133 0.000 1.123 475 L CA -0.274 54.484 54.840 -0.135 0.000 0.900 475 L CB 0.119 42.112 42.059 -0.110 0.000 1.146 475 L HN -0.002 nan 8.230 nan 0.000 0.484 476 R N 0.528 120.985 120.500 -0.071 0.000 2.537 476 R HA 0.156 4.496 4.340 -0.000 0.000 0.280 476 R C 0.199 176.456 176.300 -0.071 0.000 1.058 476 R CA 0.227 56.296 56.100 -0.051 0.000 1.057 476 R CB 0.772 31.038 30.300 -0.057 0.000 0.973 476 R HN -0.084 nan 8.270 nan 0.000 0.438 477 T N 1.419 115.964 114.554 -0.014 0.000 2.897 477 T HA 0.198 4.548 4.350 -0.000 0.000 0.278 477 T C 0.989 175.733 174.700 0.073 0.000 0.981 477 T CA -0.552 61.589 62.100 0.068 0.000 0.973 477 T CB 0.455 69.384 68.868 0.101 0.000 1.092 477 T HN 0.352 nan 8.240 nan 0.000 0.543 478 F N 1.272 121.243 119.950 0.034 0.000 2.186 478 F HA 0.017 4.544 4.527 0.000 0.000 0.299 478 F C 1.934 177.779 175.800 0.076 0.000 1.090 478 F CA 0.923 58.956 58.000 0.054 0.000 1.307 478 F CB -0.425 38.608 39.000 0.056 0.000 1.019 478 F HN 0.558 nan 8.300 nan 0.000 0.489 479 N N -0.300 118.558 118.700 0.265 0.000 2.378 479 N HA 0.057 4.797 4.740 -0.000 0.000 0.243 479 N C -0.293 175.288 175.510 0.119 0.000 1.137 479 N CA -0.182 52.986 53.050 0.197 0.000 0.862 479 N CB -0.398 38.188 38.487 0.165 0.000 1.116 479 N HN -0.026 nan 8.380 nan 0.000 0.499 480 E N 1.654 121.901 120.200 0.079 0.000 2.558 480 E HA 0.088 4.438 4.350 -0.000 0.000 0.255 480 E C -2.167 174.396 176.600 -0.062 0.000 0.968 480 E CA -1.406 55.003 56.400 0.015 0.000 0.939 480 E CB 0.303 30.006 29.700 0.005 0.000 0.921 480 E HN 0.290 nan 8.360 nan 0.000 0.477 481 P HA 0.066 nan 4.420 nan 0.000 0.271 481 P C -2.206 174.928 177.300 -0.278 0.000 1.218 481 P CA -1.005 61.941 63.100 -0.258 0.000 0.780 481 P CB 0.601 32.008 31.700 -0.488 0.000 0.901 482 P HA -0.115 nan 4.420 nan 0.000 0.215 482 P C 0.141 177.393 177.300 -0.080 0.000 1.153 482 P CA 1.194 64.021 63.100 -0.456 0.000 0.853 482 P CB -0.103 31.125 31.700 -0.787 0.000 0.788 483 F N 0.366 120.149 119.950 -0.278 0.000 2.538 483 F HA 0.104 4.631 4.527 0.000 0.000 0.371 483 F C 1.683 177.482 175.800 -0.001 0.000 1.087 483 F CA -1.075 56.827 58.000 -0.163 0.000 1.250 483 F CB -0.766 38.179 39.000 -0.092 0.000 1.110 483 F HN -0.159 nan 8.300 nan 0.000 0.570 484 R N 0.000 120.581 120.500 0.134 0.000 2.786 484 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 484 R CA 0.000 56.149 56.100 0.082 0.000 0.921 484 R CB 0.000 30.026 30.300 -0.457 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535