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_C 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 XXXXXXXXXG 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 0.000 176.838 176.870 -0.054 0.000 1.165 8 L CA 0.000 54.856 54.840 0.026 0.000 0.813 8 L CB 0.000 42.042 42.059 -0.028 0.000 0.961 9 T N 0.287 114.754 114.554 -0.146 0.000 2.912 9 T HA 0.555 4.905 4.350 0.000 0.000 0.280 9 T C -2.274 172.220 174.700 -0.344 0.000 0.989 9 T CA -1.725 60.123 62.100 -0.419 0.000 0.995 9 T CB 1.738 70.428 68.868 -0.296 0.000 1.077 9 T HN 0.362 nan 8.240 nan 0.000 0.531 10 P HA -0.113 nan 4.420 nan 0.000 0.213 10 P C 1.760 178.982 177.300 -0.130 0.000 1.170 10 P CA 1.987 64.946 63.100 -0.235 0.000 0.902 10 P CB -0.377 31.189 31.700 -0.223 0.000 0.789 11 A N -0.655 122.096 122.820 -0.115 0.000 1.940 11 A HA -0.295 4.025 4.320 0.000 0.000 0.219 11 A C 2.254 179.813 177.584 -0.041 0.000 1.176 11 A CA 1.839 53.841 52.037 -0.059 0.000 0.631 11 A CB -1.395 17.578 19.000 -0.043 0.000 0.814 11 A HN 0.233 nan 8.150 nan 0.000 0.446 12 Q N -0.843 118.924 119.800 -0.056 0.000 2.079 12 Q HA -0.081 4.259 4.340 0.000 0.000 0.200 12 Q C 2.480 178.470 176.000 -0.017 0.000 0.974 12 Q CA 1.311 57.096 55.803 -0.029 0.000 0.840 12 Q CB -0.374 28.345 28.738 -0.032 0.000 0.898 12 Q HN 0.692 nan 8.270 nan 0.000 0.430 13 A N 0.960 123.759 122.820 -0.035 0.000 1.902 13 A HA -0.171 4.150 4.320 0.000 0.000 0.217 13 A C 2.083 179.676 177.584 0.016 0.000 1.181 13 A CA 1.111 53.142 52.037 -0.010 0.000 0.623 13 A CB -0.738 18.249 19.000 -0.023 0.000 0.818 13 A HN 0.281 nan 8.150 nan 0.000 0.443 14 L N -0.427 120.800 121.223 0.006 0.000 2.012 14 L HA -0.225 4.115 4.340 0.000 0.000 0.210 14 L C 2.200 179.095 176.870 0.042 0.000 1.073 14 L CA 1.644 56.500 54.840 0.027 0.000 0.748 14 L CB -0.762 41.305 42.059 0.014 0.000 0.891 14 L HN 0.347 nan 8.230 nan 0.000 0.431 15 D N -0.016 120.402 120.400 0.030 0.000 2.117 15 D HA -0.211 4.429 4.640 0.000 0.000 0.197 15 D C 2.115 178.446 176.300 0.053 0.000 0.987 15 D CA 1.252 55.276 54.000 0.039 0.000 0.829 15 D CB -0.053 40.763 40.800 0.027 0.000 0.961 15 D HN 0.254 nan 8.370 nan 0.000 0.460 16 K N 0.421 120.850 120.400 0.048 0.000 2.148 16 K HA -0.034 4.286 4.320 0.000 0.000 0.204 16 K C 2.291 178.942 176.600 0.085 0.000 1.050 16 K CA 0.356 56.679 56.287 0.059 0.000 0.942 16 K CB 0.006 32.535 32.500 0.049 0.000 0.724 16 K HN 0.072 nan 8.250 nan 0.000 0.446 17 L N 0.843 122.119 121.223 0.089 0.000 2.027 17 L HA -0.210 4.130 4.340 0.000 0.000 0.206 17 L C 2.176 179.144 176.870 0.163 0.000 1.074 17 L CA 1.231 56.142 54.840 0.120 0.000 0.745 17 L CB -0.473 41.644 42.059 0.097 0.000 0.898 17 L HN 0.254 nan 8.230 nan 0.000 0.433 18 D N 0.070 120.553 120.400 0.139 0.000 2.104 18 D HA -0.203 4.437 4.640 0.000 0.000 0.194 18 D C 2.119 178.520 176.300 0.167 0.000 0.994 18 D CA 1.645 55.746 54.000 0.169 0.000 0.830 18 D CB 0.127 40.997 40.800 0.117 0.000 0.959 18 D HN 0.341 nan 8.370 nan 0.000 0.452 19 A N 1.085 123.976 122.820 0.118 0.000 1.841 19 A HA -0.161 4.159 4.320 0.000 0.000 0.216 19 A C 2.512 180.158 177.584 0.104 0.000 1.199 19 A CA 1.095 53.188 52.037 0.092 0.000 0.621 19 A CB -1.032 18.011 19.000 0.070 0.000 0.835 19 A HN 0.220 nan 8.150 nan 0.000 0.445 20 L N -2.074 119.223 121.223 0.122 0.000 2.043 20 L HA -0.241 4.099 4.340 0.000 0.000 0.212 20 L C 2.645 179.614 176.870 0.166 0.000 1.075 20 L CA 2.027 56.945 54.840 0.130 0.000 0.752 20 L CB -0.610 41.533 42.059 0.140 0.000 0.891 20 L HN 0.636 nan 8.230 nan 0.000 0.432 21 Y N 0.902 121.253 120.300 0.084 0.000 2.109 21 Y HA -0.233 4.317 4.550 0.000 0.000 0.285 21 Y C 2.661 178.599 175.900 0.064 0.000 1.131 21 Y CA 1.503 59.655 58.100 0.087 0.000 1.121 21 Y CB -0.194 38.334 38.460 0.113 0.000 0.987 21 Y HN 0.088 nan 8.280 nan 0.000 0.495 22 E N 0.456 120.648 120.200 -0.014 0.000 2.097 22 E HA -0.324 4.026 4.350 0.000 0.000 0.196 22 E C 2.185 178.723 176.600 -0.103 0.000 1.000 22 E CA 1.707 58.046 56.400 -0.101 0.000 0.804 22 E CB -0.471 29.239 29.700 0.017 0.000 0.740 22 E HN 0.682 nan 8.360 nan 0.000 0.454 23 Q N 0.216 119.997 119.800 -0.031 0.000 2.050 23 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 23 Q C 2.268 178.262 176.000 -0.010 0.000 0.980 23 Q CA 1.792 57.591 55.803 -0.007 0.000 0.840 23 Q CB 0.058 28.811 28.738 0.025 0.000 0.898 23 Q HN 0.094 nan 8.270 nan 0.000 0.424 24 S N -0.134 115.554 115.700 -0.020 0.000 2.368 24 S HA -0.135 4.335 4.470 0.000 0.000 0.224 24 S C 1.861 176.437 174.600 -0.040 0.000 1.029 24 S CA 1.097 59.310 58.200 0.022 0.000 0.988 24 S CB -0.353 62.862 63.200 0.025 0.000 0.838 24 S HN 0.434 nan 8.310 nan 0.000 0.462 25 V N 1.761 121.540 119.914 -0.225 0.000 2.343 25 V HA -0.126 3.994 4.120 0.000 0.000 0.247 25 V C 2.042 178.056 176.094 -0.133 0.000 1.051 25 V CA 1.789 63.939 62.300 -0.249 0.000 1.036 25 V CB -0.497 31.067 31.823 -0.433 0.000 0.654 25 V HN 0.367 nan 8.190 nan 0.000 0.451 26 V N 0.768 120.623 119.914 -0.099 0.000 2.295 26 V HA -0.196 3.924 4.120 0.000 0.000 0.246 26 V C 2.914 179.013 176.094 0.007 0.000 1.049 26 V CA 2.205 64.478 62.300 -0.045 0.000 1.024 26 V CB -1.307 30.498 31.823 -0.029 0.000 0.648 26 V HN 0.676 nan 8.190 nan 0.000 0.447 27 A N -0.869 121.990 122.820 0.064 0.000 1.972 27 A HA -0.141 4.179 4.320 0.000 0.000 0.219 27 A C 2.261 180.009 177.584 0.272 0.000 1.169 27 A CA 1.717 53.862 52.037 0.181 0.000 0.635 27 A CB -0.422 18.711 19.000 0.222 0.000 0.810 27 A HN 0.485 nan 8.150 nan 0.000 0.446 28 L N -1.212 120.056 121.223 0.076 0.000 2.068 28 L HA -0.096 4.244 4.340 0.000 0.000 0.204 28 L C 2.811 179.520 176.870 -0.268 0.000 1.076 28 L CA 1.067 55.689 54.840 -0.363 0.000 0.753 28 L CB -0.318 41.459 42.059 -0.469 0.000 0.910 28 L HN 0.372 nan 8.230 nan 0.000 0.439 29 R N -0.306 120.099 120.500 -0.159 0.000 2.091 29 R HA -0.207 4.133 4.340 0.000 0.000 0.238 29 R C 2.130 178.374 176.300 -0.093 0.000 1.136 29 R CA 1.593 57.611 56.100 -0.136 0.000 0.959 29 R CB -0.439 29.807 30.300 -0.090 0.000 0.856 29 R HN 0.463 nan 8.270 nan 0.000 0.437 30 N N 0.676 119.359 118.700 -0.028 0.000 2.039 30 N HA -0.156 4.584 4.740 0.000 0.000 0.193 30 N C 1.702 177.240 175.510 0.046 0.000 1.044 30 N CA 1.712 54.772 53.050 0.018 0.000 0.847 30 N CB -0.094 38.426 38.487 0.056 0.000 1.030 30 N HN 0.200 nan 8.380 nan 0.000 0.422 31 A N 1.396 124.279 122.820 0.106 0.000 1.940 31 A HA -0.120 4.200 4.320 0.000 0.000 0.219 31 A C 2.393 180.063 177.584 0.143 0.000 1.176 31 A CA 1.068 53.240 52.037 0.226 0.000 0.631 31 A CB -0.665 18.623 19.000 0.479 0.000 0.814 31 A HN 0.387 nan 8.150 nan 0.000 0.446 32 I N -0.565 119.891 120.570 -0.190 0.000 2.252 32 I HA -0.188 3.982 4.170 0.000 0.000 0.245 32 I C 2.729 178.790 176.117 -0.093 0.000 1.102 32 I CA 1.093 62.155 61.300 -0.396 0.000 1.385 32 I CB -0.702 36.972 38.000 -0.544 0.000 1.064 32 I HN 0.401 nan 8.210 nan 0.000 0.414 33 G N 0.863 109.627 108.800 -0.059 0.000 2.446 33 G HA2 -0.276 3.684 3.960 0.000 0.000 0.217 33 G HA3 -0.276 3.684 3.960 0.000 0.000 0.217 33 G C 1.368 176.283 174.900 0.026 0.000 1.168 33 G CA 0.999 46.087 45.100 -0.019 0.000 0.771 33 G HN 0.311 nan 8.290 nan 0.000 0.551 34 N N -0.440 118.299 118.700 0.065 0.000 2.104 34 N HA -0.148 4.592 4.740 0.000 0.000 0.190 34 N C 1.760 177.333 175.510 0.106 0.000 1.024 34 N CA 1.252 54.351 53.050 0.082 0.000 0.853 34 N CB -0.509 38.045 38.487 0.112 0.000 1.008 34 N HN 0.478 nan 8.380 nan 0.000 0.424 35 Y N 1.206 121.554 120.300 0.081 0.000 2.163 35 Y HA -0.030 4.520 4.550 0.000 0.000 0.288 35 Y C 2.000 177.926 175.900 0.043 0.000 1.136 35 Y CA 1.296 59.456 58.100 0.102 0.000 1.147 35 Y CB -0.361 38.268 38.460 0.280 0.000 0.987 35 Y HN 0.011 nan 8.280 nan 0.000 0.509 36 I N -0.191 120.394 120.570 0.026 0.000 2.208 36 I HA -0.352 3.818 4.170 0.000 0.000 0.245 36 I C 2.459 178.504 176.117 -0.119 0.000 1.097 36 I CA 2.102 63.361 61.300 -0.069 0.000 1.363 36 I CB -0.747 37.246 38.000 -0.011 0.000 1.051 36 I HN 0.437 nan 8.210 nan 0.000 0.413 37 T N -2.583 111.924 114.554 -0.079 0.000 2.901 37 T HA -0.028 4.322 4.350 0.000 0.000 0.252 37 T C 1.549 176.194 174.700 -0.090 0.000 1.035 37 T CA 0.961 63.018 62.100 -0.071 0.000 1.142 37 T CB -0.312 68.532 68.868 -0.039 0.000 0.869 37 T HN 0.362 nan 8.240 nan 0.000 0.442 38 S N -0.087 115.558 115.700 -0.092 0.000 2.663 38 S HA 0.529 4.999 4.470 0.000 0.000 0.243 38 S C 1.614 176.132 174.600 -0.136 0.000 1.009 38 S CA 0.145 58.290 58.200 -0.091 0.000 0.988 38 S CB -0.159 63.013 63.200 -0.047 0.000 0.896 38 S HN 1.164 nan 8.310 nan 0.000 0.502 39 G N 1.796 110.433 108.800 -0.272 0.000 2.269 39 G HA2 -0.343 3.617 3.960 0.000 0.000 0.277 39 G HA3 -0.343 3.617 3.960 0.000 0.000 0.277 39 G C -0.140 174.684 174.900 -0.127 0.000 1.008 39 G CA 0.715 45.568 45.100 -0.411 0.000 0.774 39 G HN 0.794 nan 8.290 nan 0.000 0.511 40 E N -0.407 119.787 120.200 -0.010 0.000 2.313 40 E HA 0.485 4.835 4.350 0.000 0.000 0.276 40 E C 0.055 176.742 176.600 0.145 0.000 1.031 40 E CA -0.826 55.604 56.400 0.050 0.000 0.857 40 E CB 0.315 30.040 29.700 0.041 0.000 1.040 40 E HN 0.129 nan 8.360 nan 0.000 0.408 41 L N 5.344 126.571 121.223 0.008 0.000 2.352 41 L HA 0.475 4.815 4.340 0.000 0.000 0.269 41 L C -2.032 174.809 176.870 -0.049 0.000 1.034 41 L CA -1.900 52.877 54.840 -0.105 0.000 0.806 41 L CB 0.724 42.586 42.059 -0.328 0.000 1.244 41 L HN 0.599 nan 8.230 nan 0.000 0.447 42 P HA 0.203 nan 4.420 nan 0.000 0.274 42 P C -1.446 175.830 177.300 -0.040 0.000 1.246 42 P CA -0.565 62.556 63.100 0.034 0.000 0.795 42 P CB 0.373 32.178 31.700 0.175 0.000 1.006 43 D N 1.321 121.693 120.400 -0.048 0.000 2.249 43 D HA 0.021 4.661 4.640 0.000 0.000 0.246 43 D C 0.546 176.799 176.300 -0.079 0.000 1.114 43 D CA -0.381 53.583 54.000 -0.060 0.000 0.854 43 D CB 1.182 41.951 40.800 -0.051 0.000 1.132 43 D HN 0.219 nan 8.370 nan 0.000 0.461 44 E N 2.619 122.782 120.200 -0.062 0.000 2.147 44 E HA -0.273 4.077 4.350 0.000 0.000 0.199 44 E C 1.397 177.956 176.600 -0.069 0.000 1.005 44 E CA 1.269 57.635 56.400 -0.058 0.000 0.810 44 E CB -0.267 29.411 29.700 -0.037 0.000 0.736 44 E HN 0.651 nan 8.360 nan 0.000 0.460 45 N N 0.639 119.301 118.700 -0.063 0.000 2.084 45 N HA -0.137 4.603 4.740 0.000 0.000 0.190 45 N C 1.698 177.158 175.510 -0.083 0.000 1.030 45 N CA 1.901 54.914 53.050 -0.061 0.000 0.849 45 N CB -0.219 38.240 38.487 -0.047 0.000 1.012 45 N HN 0.141 nan 8.380 nan 0.000 0.423 46 A N 0.751 123.507 122.820 -0.107 0.000 1.883 46 A HA -0.143 4.177 4.320 0.000 0.000 0.217 46 A C 2.225 179.684 177.584 -0.209 0.000 1.186 46 A CA 1.426 53.377 52.037 -0.143 0.000 0.624 46 A CB -0.585 18.320 19.000 -0.158 0.000 0.822 46 A HN 0.374 nan 8.150 nan 0.000 0.444 47 R N -0.468 119.872 120.500 -0.266 0.000 2.080 47 R HA -0.138 4.202 4.340 0.000 0.000 0.236 47 R C 2.250 178.459 176.300 -0.152 0.000 1.137 47 R CA 1.626 57.541 56.100 -0.309 0.000 0.943 47 R CB -0.366 29.788 30.300 -0.243 0.000 0.846 47 R HN 0.539 nan 8.270 nan 0.000 0.431 48 K N 0.693 121.033 120.400 -0.101 0.000 2.585 48 K HA -0.183 4.137 4.320 0.000 0.000 0.194 48 K C 1.327 177.892 176.600 -0.059 0.000 1.037 48 K CA 1.051 57.301 56.287 -0.062 0.000 0.964 48 K CB 0.206 32.677 32.500 -0.048 0.000 0.787 48 K HN -0.020 nan 8.250 nan 0.000 0.488 49 Q N -0.750 119.004 119.800 -0.076 0.000 2.247 49 Q HA 0.165 4.505 4.340 0.000 0.000 0.211 49 Q C 0.073 176.044 176.000 -0.050 0.000 0.861 49 Q CA 0.611 56.380 55.803 -0.056 0.000 0.949 49 Q CB 1.161 29.865 28.738 -0.057 0.000 1.115 49 Q HN 0.411 nan 8.270 nan 0.000 0.507 50 G N 0.449 109.212 108.800 -0.061 0.000 2.167 50 G HA2 -0.248 3.712 3.960 0.000 0.000 0.194 50 G HA3 -0.248 3.712 3.960 0.000 0.000 0.194 50 G C 0.320 175.188 174.900 -0.053 0.000 1.027 50 G CA 0.320 45.402 45.100 -0.029 0.000 0.717 50 G HN 0.323 nan 8.290 nan 0.000 0.501 51 L N -0.479 120.641 121.223 -0.172 0.000 2.027 51 L HA 0.377 4.717 4.340 0.000 0.000 0.206 51 L C 2.056 178.881 176.870 -0.075 0.000 1.074 51 L CA 2.158 56.841 54.840 -0.262 0.000 0.745 51 L CB -0.368 41.310 42.059 -0.635 0.000 0.898 51 L HN 0.386 nan 8.230 nan 0.000 0.433 52 F N -1.597 118.367 119.950 0.022 0.000 2.639 52 F HA 0.256 4.783 4.527 0.000 0.000 0.302 52 F C 0.583 176.373 175.800 -0.018 0.000 1.097 52 F CA -0.921 57.083 58.000 0.006 0.000 1.294 52 F CB 0.318 39.346 39.000 0.047 0.000 1.027 52 F HN -0.273 nan 8.300 nan 0.000 0.550 53 V N 0.605 120.611 119.914 0.154 0.000 2.732 53 V HA 0.009 4.129 4.120 0.000 0.000 0.297 53 V C 0.021 176.207 176.094 0.153 0.000 1.060 53 V CA -0.566 61.821 62.300 0.146 0.000 1.038 53 V CB 0.662 32.559 31.823 0.124 0.000 1.003 53 V HN 0.084 nan 8.190 nan 0.000 0.481 54 Y N 4.416 124.850 120.300 0.223 0.000 2.326 54 Y HA 0.268 4.818 4.550 0.000 0.000 0.333 54 Y C -1.814 174.200 175.900 0.189 0.000 1.240 54 Y CA -1.610 56.634 58.100 0.240 0.000 1.365 54 Y CB 0.494 39.082 38.460 0.214 0.000 1.289 54 Y HN 0.474 nan 8.280 nan 0.000 0.548 55 P HA 0.063 nan 4.420 nan 0.000 0.274 55 P C -1.029 176.390 177.300 0.199 0.000 1.231 55 P CA -0.289 62.954 63.100 0.239 0.000 0.790 55 P CB 0.963 32.793 31.700 0.216 0.000 0.951 56 S N 1.715 117.506 115.700 0.150 0.000 2.478 56 S HA 0.597 5.067 4.470 0.000 0.000 0.312 56 S C -1.203 173.457 174.600 0.100 0.000 1.094 56 S CA -0.622 57.654 58.200 0.127 0.000 1.081 56 S CB -0.092 63.185 63.200 0.128 0.000 1.007 56 S HN 0.292 nan 8.310 nan 0.000 0.475 57 L N 5.265 126.536 121.223 0.080 0.000 2.305 57 L HA 0.700 5.040 4.340 0.000 0.000 0.284 57 L C -0.601 176.299 176.870 0.050 0.000 1.013 57 L CA 0.340 55.217 54.840 0.061 0.000 0.819 57 L CB 1.607 43.702 42.059 0.060 0.000 1.227 57 L HN 0.666 nan 8.230 nan 0.000 0.417 58 T N 4.374 118.961 114.554 0.055 0.000 2.824 58 T HA 0.698 5.048 4.350 0.000 0.000 0.282 58 T C -0.988 173.736 174.700 0.039 0.000 0.993 58 T CA -0.459 61.678 62.100 0.062 0.000 0.967 58 T CB 1.725 70.658 68.868 0.108 0.000 0.960 58 T HN 0.324 nan 8.240 nan 0.000 0.441 59 V N 3.277 123.235 119.914 0.074 0.000 2.531 59 V HA 0.563 4.683 4.120 0.000 0.000 0.301 59 V C -0.045 176.164 176.094 0.190 0.000 1.034 59 V CA -0.690 61.689 62.300 0.131 0.000 0.865 59 V CB 2.056 33.975 31.823 0.161 0.000 0.995 59 V HN 0.997 nan 8.190 nan 0.000 0.424 60 T N 3.851 118.507 114.554 0.171 0.000 2.888 60 T HA 0.576 4.926 4.350 0.000 0.000 0.284 60 T C -1.425 173.338 174.700 0.105 0.000 1.017 60 T CA -0.385 61.791 62.100 0.127 0.000 1.022 60 T CB 1.737 70.677 68.868 0.120 0.000 1.013 60 T HN 0.680 nan 8.240 nan 0.000 0.465 61 W N 3.772 124.901 121.300 -0.285 0.000 2.900 61 W HA 0.371 5.031 4.660 0.000 0.000 0.336 61 W C 0.474 176.861 176.519 -0.219 0.000 1.064 61 W CA -1.395 55.709 57.345 -0.401 0.000 1.237 61 W CB 1.252 30.075 29.460 -1.062 0.000 1.391 61 W HN 0.778 nan 8.180 nan 0.000 0.468 62 D N 2.300 122.388 120.400 -0.521 0.000 2.234 62 D HA 0.063 4.703 4.640 0.000 0.000 0.205 62 D C 1.486 177.258 176.300 -0.880 0.000 0.962 62 D CA 1.312 54.991 54.000 -0.534 0.000 0.855 62 D CB 0.046 40.644 40.800 -0.336 0.000 0.951 62 D HN 0.879 nan 8.370 nan 0.000 0.500 63 G N -0.072 107.589 108.800 -1.897 0.000 2.238 63 G HA2 -0.223 3.737 3.960 0.000 0.000 0.217 63 G HA3 -0.223 3.737 3.960 0.000 0.000 0.217 63 G C 0.231 174.539 174.900 -0.987 0.000 0.996 63 G CA 0.156 44.073 45.100 -1.970 0.000 0.632 63 G HN 0.406 nan 8.290 nan 0.000 0.503 64 S N 1.350 116.702 115.700 -0.580 0.000 2.475 64 S HA 0.716 5.186 4.470 0.000 0.000 0.281 64 S C -0.092 174.527 174.600 0.032 0.000 1.198 64 S CA 0.434 58.524 58.200 -0.184 0.000 1.063 64 S CB 1.725 64.836 63.200 -0.148 0.000 0.972 64 S HN 0.628 nan 8.310 nan 0.000 0.486 65 T N 2.019 116.640 114.554 0.111 0.000 3.225 65 T HA 0.189 4.539 4.350 0.000 0.000 0.356 65 T C 1.046 175.781 174.700 0.058 0.000 1.460 65 T CA -0.784 61.395 62.100 0.131 0.000 1.126 65 T CB 1.469 70.480 68.868 0.237 0.000 1.321 65 T HN 0.451 nan 8.240 nan 0.000 0.478 66 T N 2.561 117.123 114.554 0.013 0.000 2.428 66 T HA -0.121 4.229 4.350 0.000 0.000 0.248 66 T C 0.880 175.575 174.700 -0.007 0.000 1.284 66 T CA 1.591 63.688 62.100 -0.005 0.000 1.217 66 T CB -0.296 68.559 68.868 -0.021 0.000 0.864 66 T HN 0.813 nan 8.240 nan 0.000 0.402 67 N N 1.927 120.605 118.700 -0.037 0.000 2.648 67 N HA 0.359 5.099 4.740 0.000 0.000 0.261 67 N C -3.530 171.919 175.510 -0.102 0.000 1.138 67 N CA -1.294 51.730 53.050 -0.044 0.000 0.804 67 N CB 1.198 39.662 38.487 -0.038 0.000 1.237 67 N HN 0.159 nan 8.380 nan 0.000 0.532 68 P HA 0.298 nan 4.420 nan 0.000 0.272 68 P C -2.553 174.633 177.300 -0.190 0.000 1.240 68 P CA -0.867 62.052 63.100 -0.301 0.000 0.791 68 P CB -0.131 31.386 31.700 -0.305 0.000 0.978 69 P HA 0.056 nan 4.420 nan 0.000 0.267 69 P C 0.335 177.588 177.300 -0.078 0.000 1.328 69 P CA 0.199 63.221 63.100 -0.129 0.000 0.990 69 P CB 0.095 31.713 31.700 -0.137 0.000 1.168 70 K N 0.999 121.362 120.400 -0.062 0.000 2.365 70 K HA 0.006 4.326 4.320 0.000 0.000 0.197 70 K C 1.398 177.966 176.600 -0.054 0.000 1.042 70 K CA 1.136 57.400 56.287 -0.038 0.000 0.987 70 K CB -0.358 32.129 32.500 -0.022 0.000 0.779 70 K HN 0.434 nan 8.250 nan 0.000 0.484 71 T N -2.417 112.093 114.554 -0.072 0.000 2.990 71 T HA 0.127 4.477 4.350 0.000 0.000 0.250 71 T C 1.010 175.644 174.700 -0.110 0.000 1.041 71 T CA -0.391 61.662 62.100 -0.077 0.000 1.010 71 T CB 0.354 69.183 68.868 -0.066 0.000 1.003 71 T HN -0.022 nan 8.240 nan 0.000 0.499 72 R N 0.825 121.232 120.500 -0.154 0.000 2.623 72 R HA 0.446 4.786 4.340 0.000 0.000 0.271 72 R C 1.503 177.656 176.300 -0.246 0.000 1.043 72 R CA 0.470 56.416 56.100 -0.256 0.000 1.083 72 R CB 0.279 30.377 30.300 -0.337 0.000 0.974 72 R HN 0.269 nan 8.270 nan 0.000 0.436 73 A N 4.946 127.596 122.820 -0.284 0.000 1.968 73 A HA 0.038 4.358 4.320 0.000 0.000 0.217 73 A C 0.251 177.829 177.584 -0.010 0.000 1.169 73 A CA 0.880 52.861 52.037 -0.093 0.000 0.638 73 A CB -0.252 18.802 19.000 0.089 0.000 0.812 73 A HN 0.668 nan 8.150 nan 0.000 0.446 74 F N -4.932 114.990 119.950 -0.047 0.000 2.790 74 F HA 0.658 5.185 4.527 0.000 0.000 0.337 74 F C 0.862 176.578 175.800 -0.140 0.000 1.163 74 F CA -1.252 56.702 58.000 -0.077 0.000 0.997 74 F CB 0.417 39.393 39.000 -0.040 0.000 1.437 74 F HN 0.421 nan 8.300 nan 0.000 0.512 75 G N 1.271 110.147 108.800 0.127 0.000 2.295 75 G HA2 -0.222 3.738 3.960 0.000 0.000 0.287 75 G HA3 -0.222 3.738 3.960 0.000 0.000 0.287 75 G C -0.310 174.392 174.900 -0.330 0.000 1.055 75 G CA 0.232 45.274 45.100 -0.095 0.000 0.922 75 G HN 0.793 nan 8.290 nan 0.000 0.503 76 R N -1.766 118.459 120.500 -0.458 0.000 2.888 76 R HA 0.764 5.105 4.340 0.000 0.000 0.266 76 R C -1.011 174.728 176.300 -0.936 0.000 1.020 76 R CA -0.909 54.867 56.100 -0.540 0.000 0.963 76 R CB 1.150 31.314 30.300 -0.226 0.000 1.197 76 R HN 0.060 nan 8.270 nan 0.000 0.481 77 F N -0.530 118.940 119.950 -0.801 0.000 2.482 77 F HA 0.298 4.825 4.527 0.000 0.000 0.331 77 F C 1.118 176.694 175.800 -0.373 0.000 1.115 77 F CA -0.500 57.007 58.000 -0.822 0.000 0.955 77 F CB 2.363 40.531 39.000 -1.387 0.000 1.136 77 F HN 0.465 nan 8.300 nan 0.000 0.452 78 T N 0.553 115.096 114.554 -0.018 0.000 3.051 78 T HA 0.043 4.393 4.350 0.000 0.000 0.255 78 T C -0.515 174.377 174.700 0.320 0.000 1.085 78 T CA 0.836 63.016 62.100 0.133 0.000 1.109 78 T CB -0.354 68.623 68.868 0.181 0.000 0.921 78 T HN 0.748 nan 8.240 nan 0.000 0.488 79 H N -1.782 117.548 119.070 0.434 0.000 2.967 79 H HA 0.723 5.279 4.556 0.000 0.000 0.318 79 H C -0.945 174.722 175.328 0.565 0.000 1.375 79 H CA -1.153 55.160 56.048 0.442 0.000 1.132 79 H CB 0.437 30.352 29.762 0.254 0.000 1.848 79 H HN -0.026 nan 8.280 nan 0.000 0.524 80 A N 0.356 123.451 122.820 0.458 0.000 2.332 80 A HA 0.784 5.104 4.320 0.000 0.000 0.258 80 A C 0.904 178.627 177.584 0.231 0.000 1.087 80 A CA 0.483 52.642 52.037 0.204 0.000 0.802 80 A CB -0.389 18.506 19.000 -0.175 0.000 1.042 80 A HN 1.840 nan 8.150 nan 0.000 0.489 81 G N -0.767 108.073 108.800 0.068 0.000 2.340 81 G HA2 0.381 4.341 3.960 0.000 0.000 0.282 81 G HA3 0.381 4.341 3.960 0.000 0.000 0.282 81 G C -0.669 174.123 174.900 -0.180 0.000 1.312 81 G CA -0.178 44.871 45.100 -0.084 0.000 0.942 81 G HN 1.180 nan 8.290 nan 0.000 0.495 82 S N -0.324 115.116 115.700 -0.433 0.000 2.475 82 S HA 0.740 5.210 4.470 0.000 0.000 0.298 82 S C -1.406 172.819 174.600 -0.624 0.000 1.119 82 S CA -0.246 57.656 58.200 -0.498 0.000 1.085 82 S CB 0.975 63.619 63.200 -0.926 0.000 1.028 82 S HN 0.483 nan 8.310 nan 0.000 0.489 83 Y N 0.960 121.153 120.300 -0.178 0.000 2.331 83 Y HA 0.575 5.125 4.550 0.000 0.000 0.334 83 Y C 0.633 176.481 175.900 -0.087 0.000 0.960 83 Y CA -0.611 57.430 58.100 -0.099 0.000 1.130 83 Y CB 1.916 40.341 38.460 -0.059 0.000 1.164 83 Y HN 0.538 nan 8.280 nan 0.000 0.458 84 T N 1.145 115.763 114.554 0.107 0.000 2.888 84 T HA 0.803 5.153 4.350 0.000 0.000 0.288 84 T C -1.144 173.583 174.700 0.045 0.000 1.063 84 T CA -0.415 61.754 62.100 0.114 0.000 1.010 84 T CB 1.836 70.877 68.868 0.288 0.000 1.214 84 T HN 0.678 nan 8.240 nan 0.000 0.533 85 T N 1.071 115.644 114.554 0.031 0.000 3.168 85 T HA 0.458 4.808 4.350 0.000 0.000 0.373 85 T C -0.694 174.013 174.700 0.011 0.000 1.681 85 T CA -0.273 61.822 62.100 -0.009 0.000 1.135 85 T CB 0.694 69.510 68.868 -0.088 0.000 1.477 85 T HN 0.996 nan 8.240 nan 0.000 0.480 86 T N 2.866 117.416 114.554 -0.007 0.000 2.899 86 T HA 0.744 5.094 4.350 0.000 0.000 0.295 86 T C 0.231 174.881 174.700 -0.084 0.000 1.033 86 T CA -0.613 61.483 62.100 -0.006 0.000 1.084 86 T CB 0.408 69.236 68.868 -0.066 0.000 0.979 86 T HN 0.586 nan 8.240 nan 0.000 0.532 87 I N 0.518 121.070 120.570 -0.030 0.000 2.730 87 I HA 0.537 4.707 4.170 0.000 0.000 0.298 87 I C -0.048 176.046 176.117 -0.038 0.000 1.089 87 I CA -0.840 60.418 61.300 -0.069 0.000 1.041 87 I CB 2.680 40.676 38.000 -0.007 0.000 1.235 87 I HN 0.784 nan 8.210 nan 0.000 0.423 88 T N 3.624 118.077 114.554 -0.168 0.000 2.896 88 T HA 0.406 4.756 4.350 0.000 0.000 0.297 88 T C -0.650 173.843 174.700 -0.345 0.000 1.108 88 T CA -0.466 61.478 62.100 -0.261 0.000 1.004 88 T CB 0.976 69.856 68.868 0.020 0.000 1.159 88 T HN 0.620 nan 8.240 nan 0.000 0.499 89 R N 1.241 121.307 120.500 -0.723 0.000 3.158 89 R HA -0.134 4.206 4.340 0.000 0.000 0.244 89 R C -2.313 173.996 176.300 0.016 0.000 0.900 89 R CA 0.450 56.416 56.100 -0.223 0.000 0.618 89 R CB -2.051 28.292 30.300 0.073 0.000 1.061 89 R HN 0.584 nan 8.270 nan 0.000 0.471 90 P HA -0.131 nan 4.420 nan 0.000 0.216 90 P C 1.329 178.694 177.300 0.109 0.000 1.150 90 P CA 1.249 64.393 63.100 0.074 0.000 0.837 90 P CB 0.170 31.906 31.700 0.060 0.000 0.786 91 T N 0.012 114.619 114.554 0.087 0.000 2.708 91 T HA -0.148 4.202 4.350 0.000 0.000 0.266 91 T C 1.657 176.364 174.700 0.011 0.000 1.037 91 T CA 1.121 63.257 62.100 0.061 0.000 1.146 91 T CB -0.986 67.921 68.868 0.066 0.000 0.865 91 T HN 0.022 nan 8.240 nan 0.000 0.435 92 L N 0.347 121.546 121.223 -0.040 0.000 2.079 92 L HA 0.052 4.392 4.340 0.000 0.000 0.210 92 L C 1.206 177.875 176.870 -0.336 0.000 1.081 92 L CA 1.765 56.473 54.840 -0.220 0.000 0.752 92 L CB -0.665 41.188 42.059 -0.345 0.000 0.896 92 L HN 0.203 nan 8.230 nan 0.000 0.433 93 F N -1.140 118.803 119.950 -0.011 0.000 2.645 93 F HA 0.241 4.768 4.527 0.000 0.000 0.300 93 F C 2.073 177.903 175.800 0.051 0.000 1.115 93 F CA -0.125 57.890 58.000 0.025 0.000 1.355 93 F CB -0.332 38.690 39.000 0.038 0.000 1.026 93 F HN 0.001 nan 8.300 nan 0.000 0.536 94 R N 0.640 121.218 120.500 0.130 0.000 2.115 94 R HA -0.191 4.149 4.340 0.000 0.000 0.239 94 R C 2.257 178.593 176.300 0.060 0.000 1.133 94 R CA 2.410 58.559 56.100 0.082 0.000 0.935 94 R CB -0.745 29.582 30.300 0.045 0.000 0.853 94 R HN 0.135 nan 8.270 nan 0.000 0.433 95 S N -0.543 115.189 115.700 0.054 0.000 2.359 95 S HA -0.230 4.240 4.470 0.000 0.000 0.223 95 S C 1.628 176.242 174.600 0.024 0.000 1.039 95 S CA 1.554 59.773 58.200 0.033 0.000 1.042 95 S CB -0.796 62.427 63.200 0.038 0.000 0.915 95 S HN 0.473 nan 8.310 nan 0.000 0.439 96 Y N 2.384 122.658 120.300 -0.043 0.000 2.030 96 Y HA -0.189 4.361 4.550 0.000 0.000 0.274 96 Y C 2.084 177.863 175.900 -0.202 0.000 1.153 96 Y CA 1.496 59.539 58.100 -0.095 0.000 1.115 96 Y CB -0.752 37.725 38.460 0.028 0.000 0.969 96 Y HN 0.127 nan 8.280 nan 0.000 0.488 97 L N 0.198 121.345 121.223 -0.127 0.000 2.043 97 L HA -0.300 4.040 4.340 0.000 0.000 0.212 97 L C 2.361 179.050 176.870 -0.302 0.000 1.075 97 L CA 1.909 56.575 54.840 -0.289 0.000 0.752 97 L CB -0.818 41.242 42.059 0.002 0.000 0.891 97 L HN 0.362 nan 8.230 nan 0.000 0.432 98 N N 0.216 118.817 118.700 -0.165 0.000 2.039 98 N HA -0.269 4.471 4.740 0.000 0.000 0.193 98 N C 1.834 177.234 175.510 -0.183 0.000 1.044 98 N CA 1.801 54.771 53.050 -0.133 0.000 0.847 98 N CB -0.096 38.349 38.487 -0.070 0.000 1.030 98 N HN 0.277 nan 8.380 nan 0.000 0.422 99 E N -0.603 119.472 120.200 -0.208 0.000 2.070 99 E HA -0.270 4.080 4.350 0.000 0.000 0.197 99 E C 1.709 178.138 176.600 -0.285 0.000 1.004 99 E CA 1.199 57.478 56.400 -0.202 0.000 0.805 99 E CB -0.027 29.560 29.700 -0.189 0.000 0.744 99 E HN 0.435 nan 8.360 nan 0.000 0.451 100 Q N 0.287 119.750 119.800 -0.561 0.000 2.084 100 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 100 Q C 2.482 178.271 176.000 -0.352 0.000 0.978 100 Q CA 1.013 56.407 55.803 -0.682 0.000 0.844 100 Q CB -0.360 27.375 28.738 -1.670 0.000 0.898 100 Q HN 0.422 nan 8.270 nan 0.000 0.426 101 L N 0.273 121.323 121.223 -0.288 0.000 2.141 101 L HA -0.151 4.189 4.340 0.000 0.000 0.209 101 L C 2.322 179.205 176.870 0.022 0.000 1.094 101 L CA 1.177 55.999 54.840 -0.030 0.000 0.763 101 L CB -0.523 41.519 42.059 -0.028 0.000 0.908 101 L HN 0.220 nan 8.230 nan 0.000 0.437 102 T N 0.234 114.771 114.554 -0.027 0.000 2.746 102 T HA -0.147 4.203 4.350 0.000 0.000 0.267 102 T C 1.975 176.736 174.700 0.102 0.000 1.039 102 T CA 1.113 63.244 62.100 0.051 0.000 1.142 102 T CB -0.187 68.685 68.868 0.006 0.000 0.866 102 T HN 0.183 nan 8.240 nan 0.000 0.444 103 L N 0.552 121.796 121.223 0.034 0.000 2.012 103 L HA -0.084 4.256 4.340 0.000 0.000 0.210 103 L C 2.476 179.413 176.870 0.111 0.000 1.073 103 L CA 1.341 56.209 54.840 0.046 0.000 0.748 103 L CB -0.651 41.410 42.059 0.004 0.000 0.891 103 L HN 0.268 nan 8.230 nan 0.000 0.431 104 L N -2.052 119.228 121.223 0.096 0.000 2.141 104 L HA -0.229 4.111 4.340 0.000 0.000 0.209 104 L C 2.558 179.613 176.870 0.308 0.000 1.094 104 L CA 0.976 55.911 54.840 0.158 0.000 0.763 104 L CB -0.645 41.452 42.059 0.064 0.000 0.908 104 L HN 0.211 nan 8.230 nan 0.000 0.437 105 Y N 1.225 121.602 120.300 0.129 0.000 2.153 105 Y HA -0.208 4.342 4.550 0.000 0.000 0.289 105 Y C 2.683 178.657 175.900 0.122 0.000 1.127 105 Y CA 1.570 59.747 58.100 0.128 0.000 1.131 105 Y CB -0.108 38.401 38.460 0.081 0.000 0.995 105 Y HN 0.162 nan 8.280 nan 0.000 0.505 106 Q N -0.942 118.944 119.800 0.144 0.000 2.269 106 Q HA -0.079 4.261 4.340 0.000 0.000 0.201 106 Q C 0.948 176.950 176.000 0.002 0.000 0.946 106 Q CA 1.362 57.180 55.803 0.026 0.000 0.877 106 Q CB 0.094 28.877 28.738 0.075 0.000 0.963 106 Q HN 0.483 nan 8.270 nan 0.000 0.472 107 D N -1.142 119.287 120.400 0.048 0.000 2.355 107 D HA -0.009 4.631 4.640 0.000 0.000 0.206 107 D C 0.385 176.572 176.300 -0.189 0.000 1.010 107 D CA 0.747 54.704 54.000 -0.072 0.000 0.875 107 D CB 0.343 41.094 40.800 -0.081 0.000 0.966 107 D HN 0.222 nan 8.370 nan 0.000 0.512 108 Y N -0.807 119.509 120.300 0.027 0.000 2.499 108 Y HA 0.322 4.872 4.550 0.000 0.000 0.253 108 Y C 1.305 177.315 175.900 0.183 0.000 1.105 108 Y CA -0.155 58.009 58.100 0.106 0.000 1.240 108 Y CB 0.928 39.337 38.460 -0.086 0.000 1.289 108 Y HN -0.084 nan 8.280 nan 0.000 0.534 109 G N 1.720 110.627 108.800 0.179 0.000 2.350 109 G HA2 -0.095 3.865 3.960 0.000 0.000 0.298 109 G HA3 -0.095 3.865 3.960 0.000 0.000 0.298 109 G C 0.185 175.195 174.900 0.183 0.000 1.037 109 G CA 0.171 45.294 45.100 0.038 0.000 1.074 109 G HN 0.609 nan 8.290 nan 0.000 0.511 110 A N 0.068 123.049 122.820 0.268 0.000 2.322 110 A HA 0.655 4.975 4.320 0.000 0.000 0.269 110 A C 0.276 178.067 177.584 0.345 0.000 1.094 110 A CA -0.123 52.109 52.037 0.325 0.000 0.807 110 A CB 0.527 19.739 19.000 0.352 0.000 1.047 110 A HN 1.288 nan 8.150 nan 0.000 0.487 111 H N 1.676 120.862 119.070 0.194 0.000 2.761 111 H HA 0.511 5.067 4.556 0.000 0.000 0.284 111 H C -0.523 174.905 175.328 0.166 0.000 1.105 111 H CA -0.370 55.781 56.048 0.172 0.000 1.352 111 H CB -0.270 29.555 29.762 0.104 0.000 1.423 111 H HN 0.449 nan 8.280 nan 0.000 0.464 112 I N 4.345 124.839 120.570 -0.126 0.000 2.440 112 I HA 0.279 4.449 4.170 0.000 0.000 0.294 112 I C -0.122 175.807 176.117 -0.314 0.000 0.995 112 I CA -0.447 60.766 61.300 -0.145 0.000 1.306 112 I CB 1.298 39.279 38.000 -0.031 0.000 1.407 112 I HN 0.691 nan 8.210 nan 0.000 0.501 113 S N 4.520 120.111 115.700 -0.182 0.000 2.533 113 S HA 0.727 5.197 4.470 0.000 0.000 0.271 113 S C -1.091 173.503 174.600 -0.010 0.000 1.143 113 S CA -0.797 57.333 58.200 -0.115 0.000 0.891 113 S CB 1.804 64.932 63.200 -0.119 0.000 1.105 113 S HN 0.263 nan 8.310 nan 0.000 0.468 114 V N 3.333 123.259 119.914 0.019 0.000 2.680 114 V HA 0.885 5.005 4.120 0.000 0.000 0.309 114 V C -0.930 175.203 176.094 0.064 0.000 1.052 114 V CA -0.407 61.923 62.300 0.050 0.000 0.908 114 V CB 1.595 33.449 31.823 0.052 0.000 1.001 114 V HN 1.088 nan 8.190 nan 0.000 0.431 115 Q N 3.222 123.070 119.800 0.080 0.000 2.647 115 Q HA 0.466 4.806 4.340 0.000 0.000 0.283 115 Q C -3.332 172.723 176.000 0.092 0.000 0.943 115 Q CA -2.084 53.767 55.803 0.079 0.000 0.813 115 Q CB 1.432 30.214 28.738 0.074 0.000 1.477 115 Q HN 0.372 nan 8.270 nan 0.000 0.393 116 P HA 0.054 nan 4.420 nan 0.000 0.265 116 P C -0.091 177.261 177.300 0.087 0.000 1.193 116 P CA 0.543 63.698 63.100 0.092 0.000 0.765 116 P CB 0.735 32.473 31.700 0.064 0.000 0.823 117 S N 2.821 118.593 115.700 0.121 0.000 2.646 117 S HA 0.188 4.658 4.470 0.000 0.000 0.273 117 S C 0.677 175.284 174.600 0.011 0.000 1.168 117 S CA -0.247 58.011 58.200 0.096 0.000 1.013 117 S CB 0.475 63.801 63.200 0.210 0.000 1.098 117 S HN 0.334 nan 8.310 nan 0.000 0.544 118 Q N 0.107 119.820 119.800 -0.145 0.000 2.219 118 Q HA 0.241 4.581 4.340 0.000 0.000 0.209 118 Q C -0.628 175.181 176.000 -0.320 0.000 0.854 118 Q CA 0.110 55.765 55.803 -0.246 0.000 0.960 118 Q CB 0.045 28.587 28.738 -0.327 0.000 1.116 118 Q HN 0.642 nan 8.270 nan 0.000 0.500 119 H N 0.792 119.958 119.070 0.160 0.000 2.504 119 H HA 0.346 4.902 4.556 0.000 0.000 0.322 119 H C -0.120 175.385 175.328 0.295 0.000 1.055 119 H CA -0.211 55.972 56.048 0.224 0.000 1.231 119 H CB 1.158 31.068 29.762 0.246 0.000 1.417 119 H HN 0.055 nan 8.280 nan 0.000 0.472 120 E N 2.842 123.248 120.200 0.343 0.000 2.343 120 E HA 0.240 4.590 4.350 0.000 0.000 0.269 120 E C 0.259 176.997 176.600 0.230 0.000 1.047 120 E CA -0.591 55.970 56.400 0.268 0.000 0.874 120 E CB 1.727 31.592 29.700 0.275 0.000 1.033 120 E HN 0.440 nan 8.360 nan 0.000 0.409 121 I N 4.058 124.617 120.570 -0.017 0.000 2.452 121 I HA 0.092 4.262 4.170 0.000 0.000 0.287 121 I C -2.116 174.041 176.117 0.067 0.000 1.079 121 I CA -1.955 59.254 61.300 -0.152 0.000 1.387 121 I CB 0.309 38.079 38.000 -0.383 0.000 1.404 121 I HN 0.125 nan 8.210 nan 0.000 0.522 122 P HA -0.051 nan 4.420 nan 0.000 0.267 122 P C 0.251 177.444 177.300 -0.177 0.000 1.209 122 P CA -0.062 63.022 63.100 -0.027 0.000 0.763 122 P CB 0.245 31.877 31.700 -0.113 0.000 0.816 123 Y N 5.798 125.993 120.300 -0.175 0.000 2.181 123 Y HA -0.186 4.364 4.550 0.000 0.000 0.284 123 Y C -1.129 174.620 175.900 -0.251 0.000 1.179 123 Y CA 1.489 59.438 58.100 -0.252 0.000 1.179 123 Y CB -2.988 35.274 38.460 -0.330 0.000 0.973 123 Y HN 0.348 nan 8.280 nan 0.000 0.519 124 P HA -0.167 nan 4.420 nan 0.000 0.219 124 P C 0.632 177.739 177.300 -0.322 0.000 1.146 124 P CA 1.732 64.451 63.100 -0.635 0.000 0.808 124 P CB -0.308 30.861 31.700 -0.885 0.000 0.779 125 Y N -1.451 118.793 120.300 -0.093 0.000 2.490 125 Y HA 0.066 4.616 4.550 0.000 0.000 0.281 125 Y C 1.686 177.581 175.900 -0.009 0.000 1.174 125 Y CA -0.220 57.867 58.100 -0.021 0.000 1.295 125 Y CB -0.943 37.547 38.460 0.050 0.000 1.062 125 Y HN -0.099 nan 8.280 nan 0.000 0.522 126 V N -3.156 116.798 119.914 0.067 0.000 3.319 126 V HA 0.352 4.472 4.120 0.000 0.000 0.317 126 V C 0.401 176.489 176.094 -0.009 0.000 1.411 126 V CA -0.368 61.940 62.300 0.013 0.000 1.112 126 V CB -0.795 30.992 31.823 -0.060 0.000 1.031 126 V HN 0.045 nan 8.190 nan 0.000 0.448 135 D N 0.519 120.932 120.400 0.021 0.000 2.478 135 D HA 0.284 4.924 4.640 0.000 0.000 0.274 135 D C 0.868 177.187 176.300 0.030 0.000 1.234 135 D CA -0.564 53.449 54.000 0.022 0.000 1.069 135 D CB 0.691 41.501 40.800 0.017 0.000 1.113 135 D HN 0.295 nan 8.370 nan 0.000 0.571 136 R N -0.437 120.079 120.500 0.027 0.000 2.170 136 R HA -0.077 4.263 4.340 0.000 0.000 0.242 136 R C 1.046 177.370 176.300 0.041 0.000 1.145 136 R CA 0.497 56.614 56.100 0.030 0.000 0.984 136 R CB -0.976 29.338 30.300 0.023 0.000 0.869 136 R HN 0.516 nan 8.270 nan 0.000 0.455 140 A N 1.680 124.531 122.820 0.053 0.000 1.898 140 A HA 0.301 4.621 4.320 0.000 0.000 0.216 140 A C 2.071 179.649 177.584 -0.010 0.000 1.181 140 A CA 2.088 54.139 52.037 0.024 0.000 0.620 140 A CB -1.258 17.761 19.000 0.031 0.000 0.819 140 A HN 0.561 nan 8.150 nan 0.000 0.442 141 G N -0.228 108.611 108.800 0.064 0.000 2.394 141 G HA2 -0.071 3.889 3.960 0.000 0.000 0.214 141 G HA3 -0.071 3.889 3.960 0.000 0.000 0.214 141 G C 1.562 176.392 174.900 -0.116 0.000 1.176 141 G CA 0.850 45.981 45.100 0.052 0.000 0.786 141 G HN 0.392 nan 8.290 nan 0.000 0.533 142 L N 1.221 122.405 121.223 -0.064 0.000 1.978 142 L HA -0.179 4.161 4.340 0.000 0.000 0.218 142 L C 3.328 180.212 176.870 0.024 0.000 1.075 142 L CA 2.092 56.873 54.840 -0.099 0.000 0.767 142 L CB -1.192 40.593 42.059 -0.457 0.000 0.890 142 L HN 0.452 nan 8.230 nan 0.000 0.434 143 T N -2.835 111.761 114.554 0.070 0.000 2.977 143 T HA -0.211 4.139 4.350 0.000 0.000 0.271 143 T C 1.876 176.557 174.700 -0.032 0.000 1.105 143 T CA 1.013 63.187 62.100 0.123 0.000 1.116 143 T CB -0.213 68.713 68.868 0.096 0.000 0.878 143 T HN 0.309 nan 8.240 nan 0.000 0.509 144 R N -0.604 119.772 120.500 -0.207 0.000 2.075 144 R HA 0.093 4.433 4.340 0.000 0.000 0.220 144 R C 1.303 177.298 176.300 -0.507 0.000 1.118 144 R CA 0.748 56.587 56.100 -0.436 0.000 0.986 144 R CB 0.038 29.893 30.300 -0.742 0.000 0.884 144 R HN 0.501 nan 8.270 nan 0.000 0.439 145 Y N -1.462 118.692 120.300 -0.244 0.000 2.449 145 Y HA 0.294 4.844 4.550 0.000 0.000 0.254 145 Y C -0.192 175.342 175.900 -0.610 0.000 1.140 145 Y CA -0.331 57.497 58.100 -0.454 0.000 1.272 145 Y CB 0.435 38.477 38.460 -0.696 0.000 1.114 145 Y HN -0.125 nan 8.280 nan 0.000 0.525 146 F N 0.100 120.041 119.950 -0.014 0.000 2.575 146 F HA 0.558 5.085 4.527 0.000 0.000 0.330 146 F C -2.326 173.533 175.800 0.098 0.000 1.056 146 F CA -3.329 54.676 58.000 0.009 0.000 0.964 146 F CB 0.744 39.651 39.000 -0.155 0.000 1.258 146 F HN -0.327 nan 8.300 nan 0.000 0.484 147 P HA 0.173 nan 4.420 nan 0.000 0.267 147 P C -0.859 176.556 177.300 0.191 0.000 1.209 147 P CA 0.030 63.273 63.100 0.238 0.000 0.763 147 P CB 0.389 32.224 31.700 0.224 0.000 0.816 148 T N -0.428 114.194 114.554 0.113 0.000 2.916 148 T HA 0.587 4.937 4.350 0.000 0.000 0.292 148 T C 0.137 174.839 174.700 0.002 0.000 1.055 148 T CA -0.801 61.302 62.100 0.006 0.000 1.009 148 T CB 0.848 69.735 68.868 0.031 0.000 1.118 148 T HN 0.216 nan 8.240 nan 0.000 0.497 169 S N 2.134 117.791 115.700 -0.072 0.000 2.638 169 S HA 0.783 5.253 4.470 0.000 0.000 0.302 169 S C -2.921 171.709 174.600 0.052 0.000 1.096 169 S CA -1.672 56.507 58.200 -0.034 0.000 0.953 169 S CB 2.629 65.748 63.200 -0.135 0.000 1.107 169 S HN 0.146 nan 8.310 nan 0.000 0.503 170 P HA 0.204 nan 4.420 nan 0.000 0.276 170 P C 0.339 177.640 177.300 0.003 0.000 1.235 170 P CA -0.378 62.738 63.100 0.027 0.000 0.772 170 P CB 0.512 32.200 31.700 -0.021 0.000 0.871 171 L N 3.274 124.423 121.223 -0.123 0.000 2.270 171 L HA 0.084 4.424 4.340 0.000 0.000 0.210 171 L C 0.625 177.137 176.870 -0.597 0.000 1.104 171 L CA 1.525 56.133 54.840 -0.386 0.000 0.804 171 L CB -0.300 41.443 42.059 -0.526 0.000 0.937 171 L HN 0.425 nan 8.230 nan 0.000 0.450 172 S N -3.641 111.831 115.700 -0.380 0.000 2.740 172 S HA 0.354 4.824 4.470 0.000 0.000 0.300 172 S C 0.809 175.218 174.600 -0.319 0.000 1.147 172 S CA -0.628 57.404 58.200 -0.281 0.000 0.871 172 S CB 0.429 63.620 63.200 -0.014 0.000 1.173 172 S HN 0.205 nan 8.310 nan 0.000 0.510 173 H N -0.242 118.707 119.070 -0.201 0.000 2.363 173 H HA 0.229 4.785 4.556 0.000 0.000 0.301 173 H C -0.343 174.583 175.328 -0.670 0.000 1.074 173 H CA 1.267 57.004 56.048 -0.519 0.000 1.354 173 H CB -0.090 29.170 29.762 -0.837 0.000 1.397 173 H HN 0.482 nan 8.280 nan 0.000 0.516 174 F N 1.245 121.236 119.950 0.069 0.000 2.546 174 F HA 0.230 4.757 4.527 0.000 0.000 0.320 174 F C 0.170 175.911 175.800 -0.098 0.000 1.076 174 F CA -1.459 56.527 58.000 -0.024 0.000 0.928 174 F CB 1.334 40.297 39.000 -0.062 0.000 1.189 174 F HN -0.007 nan 8.300 nan 0.000 0.465 175 D N 0.580 121.016 120.400 0.059 0.000 2.437 175 D HA 0.532 5.172 4.640 0.000 0.000 0.259 175 D C 0.982 177.164 176.300 -0.197 0.000 1.118 175 D CA -0.498 53.446 54.000 -0.093 0.000 1.017 175 D CB 0.864 41.582 40.800 -0.137 0.000 1.120 175 D HN 0.575 nan 8.370 nan 0.000 0.541 176 A N 0.413 123.009 122.820 -0.372 0.000 1.903 176 A HA -0.293 4.027 4.320 0.000 0.000 0.219 176 A C 2.129 179.389 177.584 -0.539 0.000 1.191 176 A CA 1.690 53.345 52.037 -0.638 0.000 0.638 176 A CB -0.679 17.483 19.000 -1.396 0.000 0.823 176 A HN 0.553 nan 8.150 nan 0.000 0.451 177 R N -1.056 119.180 120.500 -0.440 0.000 2.080 177 R HA -0.162 4.178 4.340 0.000 0.000 0.236 177 R C 2.326 178.587 176.300 -0.065 0.000 1.137 177 R CA 1.714 57.737 56.100 -0.129 0.000 0.943 177 R CB -0.713 29.547 30.300 -0.065 0.000 0.846 177 R HN 0.536 nan 8.270 nan 0.000 0.431 178 R N 1.306 121.764 120.500 -0.070 0.000 2.096 178 R HA -0.075 4.265 4.340 0.000 0.000 0.235 178 R C 2.106 178.397 176.300 -0.016 0.000 1.127 178 R CA 1.434 57.539 56.100 0.009 0.000 0.968 178 R CB -0.822 29.518 30.300 0.066 0.000 0.861 178 R HN 0.089 nan 8.270 nan 0.000 0.440 179 V N 0.975 120.821 119.914 -0.113 0.000 2.379 179 V HA -0.178 3.942 4.120 0.000 0.000 0.245 179 V C 1.802 177.792 176.094 -0.174 0.000 1.044 179 V CA 2.118 64.321 62.300 -0.161 0.000 1.036 179 V CB -0.561 31.154 31.823 -0.180 0.000 0.664 179 V HN 0.302 nan 8.190 nan 0.000 0.453 180 D N -0.319 119.933 120.400 -0.247 0.000 2.117 180 D HA -0.187 4.453 4.640 0.000 0.000 0.197 180 D C 1.909 177.826 176.300 -0.639 0.000 0.987 180 D CA 1.341 55.033 54.000 -0.514 0.000 0.829 180 D CB -0.273 40.049 40.800 -0.797 0.000 0.961 180 D HN 0.433 nan 8.370 nan 0.000 0.460 181 F N 1.739 121.376 119.950 -0.522 0.000 2.065 181 F HA -0.239 4.288 4.527 0.000 0.000 0.298 181 F C 2.391 178.093 175.800 -0.164 0.000 1.112 181 F CA 1.615 59.508 58.000 -0.178 0.000 1.212 181 F CB -0.347 38.650 39.000 -0.005 0.000 0.975 181 F HN -0.167 nan 8.300 nan 0.000 0.476 182 S N 0.741 116.307 115.700 -0.224 0.000 2.428 182 S HA -0.050 4.420 4.470 0.000 0.000 0.230 182 S C 2.087 176.455 174.600 -0.387 0.000 1.014 182 S CA 1.070 59.071 58.200 -0.332 0.000 0.957 182 S CB -0.393 62.768 63.200 -0.064 0.000 0.784 182 S HN 0.375 nan 8.310 nan 0.000 0.499 183 L N 1.110 122.155 121.223 -0.297 0.000 2.027 183 L HA -0.107 4.233 4.340 0.000 0.000 0.206 183 L C 2.842 179.560 176.870 -0.254 0.000 1.074 183 L CA 1.211 55.897 54.840 -0.257 0.000 0.745 183 L CB -0.777 41.171 42.059 -0.185 0.000 0.898 183 L HN 0.313 nan 8.230 nan 0.000 0.433 184 A N 0.136 122.807 122.820 -0.248 0.000 1.865 184 A HA -0.279 4.041 4.320 0.000 0.000 0.217 184 A C 2.341 179.757 177.584 -0.280 0.000 1.191 184 A CA 2.021 53.952 52.037 -0.176 0.000 0.623 184 A CB -0.540 18.437 19.000 -0.038 0.000 0.826 184 A HN 0.233 nan 8.150 nan 0.000 0.444 185 R N -0.560 119.642 120.500 -0.495 0.000 2.081 185 R HA 0.009 4.349 4.340 0.000 0.000 0.235 185 R C 2.089 178.162 176.300 -0.378 0.000 1.131 185 R CA 1.206 56.932 56.100 -0.623 0.000 0.960 185 R CB -0.700 28.885 30.300 -1.193 0.000 0.856 185 R HN 0.591 nan 8.270 nan 0.000 0.436 186 L N -0.051 120.983 121.223 -0.315 0.000 2.012 186 L HA -0.255 4.085 4.340 0.000 0.000 0.210 186 L C 2.616 179.477 176.870 -0.015 0.000 1.073 186 L CA 1.766 56.540 54.840 -0.110 0.000 0.748 186 L CB -0.322 41.579 42.059 -0.263 0.000 0.891 186 L HN 0.253 nan 8.230 nan 0.000 0.431 187 R N -1.037 119.424 120.500 -0.067 0.000 2.081 187 R HA -0.262 4.078 4.340 0.000 0.000 0.235 187 R C 2.392 178.675 176.300 -0.029 0.000 1.131 187 R CA 1.892 57.975 56.100 -0.027 0.000 0.960 187 R CB -0.329 29.942 30.300 -0.048 0.000 0.856 187 R HN 0.427 nan 8.270 nan 0.000 0.436 188 H N -0.584 118.377 119.070 -0.181 0.000 2.319 188 H HA -0.177 4.379 4.556 0.000 0.000 0.299 188 H C 1.296 176.553 175.328 -0.119 0.000 1.092 188 H CA 2.368 58.287 56.048 -0.215 0.000 1.302 188 H CB -0.355 29.134 29.762 -0.454 0.000 1.373 188 H HN 0.278 nan 8.280 nan 0.000 0.497 189 Y N -0.715 119.475 120.300 -0.182 0.000 2.395 189 Y HA 0.014 4.564 4.550 0.000 0.000 0.293 189 Y C 2.695 178.526 175.900 -0.116 0.000 1.123 189 Y CA 1.374 59.356 58.100 -0.196 0.000 1.227 189 Y CB -0.286 38.138 38.460 -0.059 0.000 1.012 189 Y HN 0.262 nan 8.280 nan 0.000 0.552 190 T N -1.892 112.680 114.554 0.030 0.000 3.031 190 T HA 0.178 4.528 4.350 0.000 0.000 0.254 190 T C 1.493 175.900 174.700 -0.490 0.000 1.060 190 T CA 0.866 62.902 62.100 -0.108 0.000 1.135 190 T CB -0.422 68.534 68.868 0.147 0.000 0.896 190 T HN 0.456 nan 8.240 nan 0.000 0.472 191 G N 2.101 110.519 108.800 -0.637 0.000 2.272 191 G HA2 -0.207 3.753 3.960 0.000 0.000 0.280 191 G HA3 -0.207 3.753 3.960 0.000 0.000 0.280 191 G C 0.104 174.700 174.900 -0.507 0.000 1.067 191 G CA 0.438 44.882 45.100 -1.093 0.000 0.902 191 G HN 0.543 nan 8.290 nan 0.000 0.500 192 T N -0.013 114.401 114.554 -0.233 0.000 2.982 192 T HA 0.541 4.891 4.350 0.000 0.000 0.321 192 T C -2.960 171.737 174.700 -0.005 0.000 1.229 192 T CA -0.804 61.245 62.100 -0.085 0.000 1.044 192 T CB 2.966 71.822 68.868 -0.021 0.000 1.184 192 T HN -0.002 nan 8.240 nan 0.000 0.477 193 P HA 0.121 nan 4.420 nan 0.000 0.271 193 P C 1.321 178.555 177.300 -0.110 0.000 1.216 193 P CA -0.494 62.471 63.100 -0.224 0.000 0.771 193 P CB 0.531 31.903 31.700 -0.547 0.000 0.864 194 V N 1.323 121.216 119.914 -0.035 0.000 2.594 194 V HA -0.244 3.876 4.120 0.000 0.000 0.253 194 V C 1.256 177.357 176.094 0.012 0.000 1.069 194 V CA 1.683 64.002 62.300 0.031 0.000 1.082 194 V CB -1.423 30.290 31.823 -0.183 0.000 0.680 194 V HN 0.340 nan 8.190 nan 0.000 0.469 195 E N 0.140 120.264 120.200 -0.126 0.000 2.409 195 E HA -0.089 4.261 4.350 0.000 0.000 0.198 195 E C 1.801 178.446 176.600 0.075 0.000 1.024 195 E CA 1.402 57.754 56.400 -0.081 0.000 0.861 195 E CB -0.705 28.939 29.700 -0.095 0.000 0.788 195 E HN 0.886 nan 8.360 nan 0.000 0.521 196 H N -1.466 117.576 119.070 -0.046 0.000 2.553 196 H HA 0.160 4.716 4.556 0.000 0.000 0.265 196 H C -0.179 174.854 175.328 -0.492 0.000 0.964 196 H CA -0.761 55.187 56.048 -0.166 0.000 1.156 196 H CB 0.204 29.898 29.762 -0.114 0.000 1.411 196 H HN 0.068 nan 8.280 nan 0.000 0.558 197 F N 2.705 122.389 119.950 -0.444 0.000 2.578 197 F HA -0.029 4.498 4.527 0.000 0.000 0.376 197 F C 0.755 176.510 175.800 -0.074 0.000 1.085 197 F CA -0.048 57.735 58.000 -0.362 0.000 1.260 197 F CB 0.593 39.482 39.000 -0.186 0.000 1.095 197 F HN 0.125 nan 8.300 nan 0.000 0.573 198 Q N 5.130 125.043 119.800 0.190 0.000 2.205 198 Q HA 0.250 4.590 4.340 0.000 0.000 0.249 198 Q C -1.663 174.449 176.000 0.186 0.000 0.948 198 Q CA -2.009 53.925 55.803 0.218 0.000 0.895 198 Q CB 0.779 29.696 28.738 0.299 0.000 1.249 198 Q HN 0.286 nan 8.270 nan 0.000 0.458 199 P HA -0.032 nan 4.420 nan 0.000 0.223 199 P C -0.498 176.571 177.300 -0.384 0.000 1.151 199 P CA 1.047 64.043 63.100 -0.174 0.000 0.787 199 P CB 0.215 31.723 31.700 -0.320 0.000 0.788 200 F N -0.551 119.475 119.950 0.126 0.000 2.361 200 F HA 0.276 4.803 4.527 0.000 0.000 0.364 200 F C 0.252 176.101 175.800 0.082 0.000 1.117 200 F CA -1.085 56.979 58.000 0.106 0.000 1.071 200 F CB 0.825 39.895 39.000 0.116 0.000 1.188 200 F HN -0.407 nan 8.300 nan 0.000 0.464 201 V N 4.804 124.798 119.914 0.133 0.000 2.547 201 V HA 0.489 4.609 4.120 0.000 0.000 0.299 201 V C -0.524 175.468 176.094 -0.171 0.000 1.040 201 V CA -0.767 61.512 62.300 -0.036 0.000 0.913 201 V CB 1.951 33.701 31.823 -0.121 0.000 0.992 201 V HN 0.418 nan 8.190 nan 0.000 0.449 202 L N 4.282 125.331 121.223 -0.290 0.000 2.362 202 L HA 0.660 5.000 4.340 0.000 0.000 0.275 202 L C -0.987 175.681 176.870 -0.336 0.000 0.998 202 L CA -0.058 54.615 54.840 -0.278 0.000 0.820 202 L CB 1.600 43.513 42.059 -0.244 0.000 1.270 202 L HN 0.426 nan 8.230 nan 0.000 0.415 203 F N 1.197 121.078 119.950 -0.115 0.000 2.482 203 F HA 0.751 5.278 4.527 0.000 0.000 0.331 203 F C 0.399 176.081 175.800 -0.197 0.000 1.115 203 F CA -0.767 57.145 58.000 -0.147 0.000 0.955 203 F CB 2.210 41.113 39.000 -0.162 0.000 1.136 203 F HN 0.444 nan 8.300 nan 0.000 0.452 204 T N -0.987 113.578 114.554 0.017 0.000 2.909 204 T HA 0.389 4.739 4.350 0.000 0.000 0.299 204 T C -0.190 174.485 174.700 -0.041 0.000 1.073 204 T CA -0.937 61.072 62.100 -0.152 0.000 0.999 204 T CB 1.791 70.471 68.868 -0.313 0.000 1.098 204 T HN 0.485 nan 8.240 nan 0.000 0.477 205 N N 0.196 118.864 118.700 -0.054 0.000 2.234 205 N HA 0.138 4.878 4.740 0.000 0.000 0.227 205 N C -1.017 174.572 175.510 0.132 0.000 1.151 205 N CA -0.490 52.581 53.050 0.035 0.000 0.865 205 N CB -0.017 38.483 38.487 0.022 0.000 1.066 205 N HN 0.658 nan 8.380 nan 0.000 0.515 206 Y N 0.241 120.507 120.300 -0.057 0.000 2.322 206 Y HA 0.365 4.915 4.550 0.000 0.000 0.324 206 Y C 1.258 177.238 175.900 0.133 0.000 1.027 206 Y CA -1.046 57.062 58.100 0.013 0.000 1.179 206 Y CB 1.514 39.914 38.460 -0.101 0.000 1.136 206 Y HN -0.092 nan 8.280 nan 0.000 0.449 207 T N 4.193 118.581 114.554 -0.276 0.000 2.649 207 T HA -0.205 4.145 4.350 0.000 0.000 0.268 207 T C 1.997 176.472 174.700 -0.375 0.000 1.036 207 T CA 2.053 63.963 62.100 -0.317 0.000 1.157 207 T CB -0.006 68.540 68.868 -0.536 0.000 0.861 207 T HN 0.628 nan 8.240 nan 0.000 0.445 208 R N -0.482 119.592 120.500 -0.710 0.000 2.211 208 R HA -0.113 4.227 4.340 0.000 0.000 0.240 208 R C 2.072 178.203 176.300 -0.281 0.000 1.144 208 R CA 1.202 57.007 56.100 -0.493 0.000 0.992 208 R CB -0.417 29.548 30.300 -0.558 0.000 0.869 208 R HN 0.566 nan 8.270 nan 0.000 0.462 209 Y N -0.420 119.775 120.300 -0.175 0.000 2.293 209 Y HA -0.205 4.345 4.550 0.000 0.000 0.291 209 Y C 2.424 178.270 175.900 -0.090 0.000 1.137 209 Y CA 1.329 59.383 58.100 -0.077 0.000 1.202 209 Y CB -0.244 38.178 38.460 -0.064 0.000 0.990 209 Y HN -0.061 nan 8.280 nan 0.000 0.537 210 V N -1.751 118.159 119.914 -0.008 0.000 2.548 210 V HA -0.166 3.954 4.120 0.000 0.000 0.249 210 V C 1.708 177.683 176.094 -0.200 0.000 1.055 210 V CA 2.059 64.246 62.300 -0.189 0.000 1.065 210 V CB -0.337 31.175 31.823 -0.518 0.000 0.681 210 V HN 0.226 nan 8.190 nan 0.000 0.462 211 D N 0.591 120.900 120.400 -0.151 0.000 2.084 211 D HA -0.209 4.431 4.640 0.000 0.000 0.194 211 D C 2.124 178.378 176.300 -0.076 0.000 0.990 211 D CA 2.122 56.046 54.000 -0.127 0.000 0.826 211 D CB -0.121 40.602 40.800 -0.128 0.000 0.971 211 D HN 0.648 nan 8.370 nan 0.000 0.453 212 E N 0.267 120.435 120.200 -0.052 0.000 2.110 212 E HA -0.164 4.186 4.350 0.000 0.000 0.193 212 E C 1.898 178.544 176.600 0.078 0.000 0.988 212 E CA 0.617 57.013 56.400 -0.007 0.000 0.804 212 E CB -0.491 29.182 29.700 -0.045 0.000 0.745 212 E HN 0.221 nan 8.360 nan 0.000 0.458 213 F N -0.111 119.796 119.950 -0.072 0.000 2.113 213 F HA -0.129 4.398 4.527 0.000 0.000 0.297 213 F C 1.997 177.807 175.800 0.018 0.000 1.103 213 F CA 1.289 59.274 58.000 -0.024 0.000 1.248 213 F CB -0.422 38.531 39.000 -0.079 0.000 0.999 213 F HN -0.057 nan 8.300 nan 0.000 0.475 214 V N 1.141 120.999 119.914 -0.094 0.000 2.343 214 V HA -0.269 3.851 4.120 0.000 0.000 0.247 214 V C 2.641 178.638 176.094 -0.162 0.000 1.051 214 V CA 2.153 64.330 62.300 -0.205 0.000 1.036 214 V CB -0.775 30.926 31.823 -0.202 0.000 0.654 214 V HN 0.310 nan 8.190 nan 0.000 0.451 215 R N -1.103 119.347 120.500 -0.083 0.000 2.082 215 R HA -0.264 4.076 4.340 0.000 0.000 0.234 215 R C 2.228 178.500 176.300 -0.047 0.000 1.136 215 R CA 2.533 58.601 56.100 -0.054 0.000 0.935 215 R CB -0.551 29.740 30.300 -0.014 0.000 0.842 215 R HN 0.616 nan 8.270 nan 0.000 0.430 216 W N 1.028 122.206 121.300 -0.204 0.000 2.342 216 W HA -0.110 4.550 4.660 0.000 0.000 0.297 216 W C 1.812 178.145 176.519 -0.310 0.000 1.213 216 W CA 2.032 59.249 57.345 -0.214 0.000 1.251 216 W CB -0.656 28.687 29.460 -0.195 0.000 1.136 216 W HN 0.266 nan 8.180 nan 0.000 0.526 217 G N -0.215 108.383 108.800 -0.336 0.000 2.433 217 G HA2 -0.320 3.640 3.960 0.000 0.000 0.216 217 G HA3 -0.320 3.640 3.960 0.000 0.000 0.216 217 G C 1.401 176.014 174.900 -0.477 0.000 1.186 217 G CA 1.455 46.193 45.100 -0.603 0.000 0.779 217 G HN 0.364 nan 8.290 nan 0.000 0.543 218 C N 0.330 119.441 119.300 -0.316 0.000 2.413 218 C HA -0.046 4.415 4.460 0.000 0.000 0.276 218 C C 3.367 178.209 174.990 -0.247 0.000 1.248 218 C CA 1.380 60.256 59.018 -0.237 0.000 1.742 218 C CB -0.866 26.779 27.740 -0.160 0.000 2.017 218 C HN 0.497 nan 8.230 nan 0.000 0.481 219 S N -0.195 115.343 115.700 -0.270 0.000 2.370 219 S HA -0.216 4.254 4.470 0.000 0.000 0.226 219 S C 1.995 176.403 174.600 -0.320 0.000 1.033 219 S CA 1.598 59.644 58.200 -0.256 0.000 1.011 219 S CB -0.285 62.770 63.200 -0.241 0.000 0.852 219 S HN 0.626 nan 8.310 nan 0.000 0.457 220 Q N 0.404 119.902 119.800 -0.504 0.000 2.167 220 Q HA 0.057 4.397 4.340 0.000 0.000 0.202 220 Q C 2.243 178.095 176.000 -0.247 0.000 0.970 220 Q CA 1.041 56.573 55.803 -0.452 0.000 0.855 220 Q CB -0.424 27.888 28.738 -0.711 0.000 0.911 220 Q HN 0.636 nan 8.270 nan 0.000 0.438 221 I N 0.201 120.625 120.570 -0.243 0.000 2.394 221 I HA -0.243 3.927 4.170 0.000 0.000 0.251 221 I C 1.580 177.618 176.117 -0.130 0.000 1.136 221 I CA 0.538 61.740 61.300 -0.163 0.000 1.425 221 I CB -0.077 37.814 38.000 -0.182 0.000 1.079 221 I HN 0.132 nan 8.210 nan 0.000 0.425 222 L N -0.058 121.083 121.223 -0.138 0.000 2.395 222 L HA -0.015 4.325 4.340 0.000 0.000 0.218 222 L C 0.886 177.701 176.870 -0.092 0.000 1.130 222 L CA 1.135 55.913 54.840 -0.103 0.000 0.826 222 L CB -0.864 41.136 42.059 -0.099 0.000 0.941 222 L HN 0.114 nan 8.230 nan 0.000 0.451 223 D N -0.341 119.994 120.400 -0.108 0.000 2.316 223 D HA 0.113 4.753 4.640 0.000 0.000 0.245 223 D C -1.759 174.494 176.300 -0.079 0.000 1.171 223 D CA -2.124 51.823 54.000 -0.090 0.000 0.856 223 D CB 1.750 42.489 40.800 -0.102 0.000 1.090 223 D HN -0.041 nan 8.370 nan 0.000 0.476 224 P HA -0.035 nan 4.420 nan 0.000 0.225 224 P C 0.308 177.574 177.300 -0.058 0.000 1.148 224 P CA 0.698 63.765 63.100 -0.055 0.000 0.779 224 P CB 0.386 32.060 31.700 -0.043 0.000 0.780 225 D N -1.689 118.675 120.400 -0.060 0.000 2.348 225 D HA 0.020 4.660 4.640 0.000 0.000 0.211 225 D C 0.658 176.909 176.300 -0.082 0.000 0.998 225 D CA 0.594 54.558 54.000 -0.060 0.000 0.873 225 D CB 0.010 40.782 40.800 -0.047 0.000 0.925 225 D HN 0.100 nan 8.370 nan 0.000 0.524 226 S N 1.065 116.707 115.700 -0.096 0.000 2.537 226 S HA 0.217 4.687 4.470 0.000 0.000 0.275 226 S C -1.769 172.718 174.600 -0.188 0.000 1.272 226 S CA -1.357 56.763 58.200 -0.135 0.000 1.050 226 S CB 1.748 64.890 63.200 -0.097 0.000 0.961 226 S HN -0.232 nan 8.310 nan 0.000 0.496 227 P HA 0.027 nan 4.420 nan 0.000 0.226 227 P C -0.774 176.331 177.300 -0.325 0.000 1.153 227 P CA 0.653 63.548 63.100 -0.342 0.000 0.777 227 P CB -0.052 31.385 31.700 -0.440 0.000 0.794 228 Y N 0.637 120.872 120.300 -0.109 0.000 2.531 228 Y HA 0.096 4.646 4.550 0.000 0.000 0.347 228 Y C 1.782 177.592 175.900 -0.151 0.000 1.024 228 Y CA -0.336 57.682 58.100 -0.137 0.000 1.306 228 Y CB -0.479 37.850 38.460 -0.217 0.000 1.149 228 Y HN -0.003 nan 8.280 nan 0.000 0.527 229 I N -0.551 120.022 120.570 0.004 0.000 4.181 229 I HA 0.681 4.851 4.170 0.000 0.000 0.331 229 I C 0.548 176.581 176.117 -0.141 0.000 1.312 229 I CA -0.086 61.181 61.300 -0.056 0.000 1.146 229 I CB 0.498 38.483 38.000 -0.025 0.000 1.074 229 I HN 0.416 nan 8.210 nan 0.000 0.402 230 A N 1.386 124.077 122.820 -0.214 0.000 2.594 230 A HA 0.803 5.123 4.320 0.000 0.000 0.291 230 A C -1.899 175.387 177.584 -0.496 0.000 1.105 230 A CA -0.500 51.228 52.037 -0.515 0.000 0.694 230 A CB 2.009 20.503 19.000 -0.844 0.000 1.291 230 A HN 0.226 nan 8.150 nan 0.000 0.410 231 L N 0.856 121.688 121.223 -0.653 0.000 2.471 231 L HA 0.609 4.949 4.340 0.000 0.000 0.263 231 L C -0.218 176.440 176.870 -0.353 0.000 0.985 231 L CA 0.100 54.718 54.840 -0.369 0.000 0.868 231 L CB 1.566 43.485 42.059 -0.233 0.000 1.203 231 L HN 0.684 nan 8.230 nan 0.000 0.429 232 S N 4.043 119.625 115.700 -0.196 0.000 2.499 232 S HA 0.560 5.030 4.470 0.000 0.000 0.275 232 S C -0.285 174.323 174.600 0.013 0.000 1.257 232 S CA -0.304 57.926 58.200 0.051 0.000 1.050 232 S CB -0.022 63.385 63.200 0.345 0.000 0.937 232 S HN 0.776 nan 8.310 nan 0.000 0.490 233 C N 3.998 123.285 119.300 -0.022 0.000 2.435 233 C HA 0.798 5.258 4.460 0.000 0.000 0.333 233 C C 0.818 175.535 174.990 -0.454 0.000 1.202 233 C CA -1.119 57.753 59.018 -0.244 0.000 1.830 233 C CB 0.593 28.376 27.740 0.072 0.000 2.326 233 C HN 1.012 nan 8.230 nan 0.000 0.507 234 A N 1.753 123.973 122.820 -0.999 0.000 2.522 234 A HA 0.487 4.807 4.320 0.000 0.000 0.256 234 A C 1.301 178.629 177.584 -0.427 0.000 1.086 234 A CA 0.989 52.509 52.037 -0.862 0.000 0.763 234 A CB -0.727 17.503 19.000 -1.283 0.000 1.024 234 A HN 2.155 nan 8.150 nan 0.000 0.502 235 G N 1.136 109.751 108.800 -0.307 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 1.310 176.198 174.900 -0.019 0.000 1.012 235 G CA 0.899 45.961 45.100 -0.063 0.000 0.651 235 G HN 2.551 nan 8.290 nan 0.000 0.494 236 G N -0.124 108.662 108.800 -0.024 0.000 3.345 236 G HA2 -0.078 3.882 3.960 0.000 0.000 0.199 236 G HA3 -0.078 3.882 3.960 0.000 0.000 0.199 236 G C 0.053 175.021 174.900 0.113 0.000 1.057 236 G CA 0.557 45.684 45.100 0.046 0.000 0.865 236 G HN 1.003 nan 8.290 nan 0.000 0.449 237 N N 0.637 119.397 118.700 0.100 0.000 2.225 237 N HA 0.214 4.954 4.740 0.000 0.000 0.257 237 N C -0.439 175.200 175.510 0.215 0.000 1.252 237 N CA 0.731 53.864 53.050 0.138 0.000 0.833 237 N CB 0.191 38.741 38.487 0.104 0.000 1.068 237 N HN 0.414 nan 8.380 nan 0.000 0.468 238 W N 5.853 127.162 121.300 0.015 0.000 2.433 238 W HA 0.362 5.022 4.660 0.000 0.000 0.288 238 W C -1.524 174.990 176.519 -0.008 0.000 0.986 238 W CA -0.698 56.644 57.345 -0.005 0.000 1.680 238 W CB 0.206 29.662 29.460 -0.006 0.000 1.615 238 W HN 0.291 nan 8.180 nan 0.000 0.416 239 I N 3.800 124.216 120.570 -0.257 0.000 2.529 239 I HA 0.257 4.427 4.170 0.000 0.000 0.284 239 I C 0.873 176.750 176.117 -0.401 0.000 1.082 239 I CA 0.904 62.064 61.300 -0.234 0.000 1.406 239 I CB 1.500 39.405 38.000 -0.158 0.000 1.405 239 I HN 0.245 nan 8.210 nan 0.000 0.548 240 T N 3.259 117.678 114.554 -0.225 0.000 2.696 240 T HA 0.653 5.003 4.350 0.000 0.000 0.291 240 T C 0.856 175.494 174.700 -0.104 0.000 1.095 240 T CA 0.035 62.021 62.100 -0.190 0.000 1.026 240 T CB 1.160 69.978 68.868 -0.083 0.000 1.390 240 T HN 0.518 nan 8.240 nan 0.000 0.513 241 A N 0.519 123.292 122.820 -0.077 0.000 2.015 241 A HA 0.084 4.404 4.320 0.000 0.000 0.219 241 A C 1.176 178.741 177.584 -0.033 0.000 1.163 241 A CA 1.135 53.137 52.037 -0.058 0.000 0.646 241 A CB -0.328 18.643 19.000 -0.049 0.000 0.806 241 A HN 0.741 nan 8.150 nan 0.000 0.448 242 E N 1.042 121.235 120.200 -0.012 0.000 2.338 242 E HA 0.131 4.481 4.350 0.000 0.000 0.231 242 E C -0.654 175.953 176.600 0.013 0.000 1.231 242 E CA 0.040 56.443 56.400 0.006 0.000 1.490 242 E CB -0.520 29.194 29.700 0.024 0.000 1.360 242 E HN 0.269 nan 8.360 nan 0.000 0.435 243 T N 1.804 116.356 114.554 -0.003 0.000 2.829 243 T HA 0.169 4.519 4.350 0.000 0.000 0.282 243 T C 0.167 174.868 174.700 0.002 0.000 0.990 243 T CA -0.689 61.414 62.100 0.005 0.000 1.028 243 T CB 1.512 70.373 68.868 -0.012 0.000 0.951 243 T HN -0.016 nan 8.240 nan 0.000 0.460 244 E N 2.370 122.578 120.200 0.013 0.000 1.944 244 E HA 0.394 4.744 4.350 0.000 0.000 0.272 244 E C 0.345 176.949 176.600 0.007 0.000 1.195 244 E CA -0.157 56.249 56.400 0.010 0.000 0.926 244 E CB 0.012 29.722 29.700 0.016 0.000 1.051 244 E HN 0.948 nan 8.360 nan 0.000 0.404 245 A N 5.080 127.900 122.820 -0.001 0.000 1.848 245 A HA -0.109 4.211 4.320 0.000 0.000 0.241 245 A C -1.926 175.657 177.584 -0.003 0.000 1.341 245 A CA -0.418 51.617 52.037 -0.003 0.000 0.706 245 A CB -1.024 17.978 19.000 0.003 0.000 1.189 245 A HN 0.386 nan 8.150 nan 0.000 0.259 246 P HA 0.058 nan 4.420 nan 0.000 0.285 246 P C 0.872 178.165 177.300 -0.011 0.000 1.521 246 P CA 0.590 63.677 63.100 -0.021 0.000 0.792 246 P CB 0.261 31.932 31.700 -0.048 0.000 1.613 247 E N -0.421 119.780 120.200 0.002 0.000 2.318 247 E HA -0.107 4.243 4.350 0.000 0.000 0.193 247 E C 1.402 178.020 176.600 0.030 0.000 0.998 247 E CA 0.511 56.917 56.400 0.010 0.000 0.859 247 E CB -0.102 29.604 29.700 0.010 0.000 0.812 247 E HN 0.301 nan 8.360 nan 0.000 0.492 248 E N 1.326 121.548 120.200 0.036 0.000 2.515 248 E HA 0.002 4.352 4.350 0.000 0.000 0.201 248 E C 1.478 178.126 176.600 0.080 0.000 1.071 248 E CA 0.560 56.994 56.400 0.057 0.000 0.880 248 E CB -0.239 29.493 29.700 0.053 0.000 0.828 248 E HN 0.249 nan 8.360 nan 0.000 0.540 249 A N 0.595 123.457 122.820 0.070 0.000 1.849 249 A HA -0.175 4.145 4.320 0.000 0.000 0.216 249 A C 1.072 178.775 177.584 0.199 0.000 1.225 249 A CA 1.199 53.298 52.037 0.104 0.000 0.653 249 A CB -0.569 18.459 19.000 0.047 0.000 0.844 249 A HN 0.301 nan 8.150 nan 0.000 0.453 250 I N 1.012 121.689 120.570 0.178 0.000 2.294 250 I HA 0.109 4.279 4.170 0.000 0.000 0.295 250 I C 0.357 176.632 176.117 0.263 0.000 1.098 250 I CA -0.039 61.425 61.300 0.273 0.000 1.277 250 I CB 0.777 38.896 38.000 0.199 0.000 1.434 250 I HN 0.231 nan 8.210 nan 0.000 0.498 251 S N 4.731 120.591 115.700 0.267 0.000 2.422 251 S HA 0.071 4.541 4.470 0.000 0.000 0.283 251 S C 1.036 175.806 174.600 0.284 0.000 1.163 251 S CA -0.714 57.611 58.200 0.207 0.000 1.054 251 S CB 0.375 63.660 63.200 0.142 0.000 0.967 251 S HN 0.496 nan 8.310 nan 0.000 0.499 252 D N 4.141 124.705 120.400 0.274 0.000 2.190 252 D HA -0.123 4.517 4.640 0.000 0.000 0.200 252 D C 1.584 178.083 176.300 0.332 0.000 0.992 252 D CA 0.813 55.017 54.000 0.338 0.000 0.854 252 D CB -0.106 40.811 40.800 0.194 0.000 0.936 252 D HN 0.506 nan 8.370 nan 0.000 0.462 253 L N 0.366 121.716 121.223 0.212 0.000 2.549 253 L HA 0.016 4.356 4.340 0.000 0.000 0.229 253 L C 2.004 178.966 176.870 0.153 0.000 1.158 253 L CA 0.547 55.482 54.840 0.158 0.000 0.842 253 L CB -0.463 41.656 42.059 0.099 0.000 0.952 253 L HN -0.062 nan 8.230 nan 0.000 0.452 254 A N -0.952 121.969 122.820 0.168 0.000 1.883 254 A HA -0.232 4.088 4.320 0.000 0.000 0.217 254 A C 2.065 179.642 177.584 -0.012 0.000 1.186 254 A CA 1.763 53.816 52.037 0.026 0.000 0.624 254 A CB -0.993 17.884 19.000 -0.204 0.000 0.822 254 A HN 0.641 nan 8.150 nan 0.000 0.444 255 W N -0.086 121.302 121.300 0.146 0.000 2.595 255 W HA -0.011 4.649 4.660 0.000 0.000 0.257 255 W C 2.158 178.711 176.519 0.057 0.000 1.267 255 W CA 1.321 58.734 57.345 0.113 0.000 1.300 255 W CB -0.108 29.415 29.460 0.105 0.000 1.120 255 W HN 0.501 nan 8.180 nan 0.000 0.618 256 K N 1.746 122.275 120.400 0.214 0.000 2.166 256 K HA -0.112 4.208 4.320 0.000 0.000 0.201 256 K C 1.875 178.468 176.600 -0.011 0.000 1.052 256 K CA 1.176 57.526 56.287 0.105 0.000 0.969 256 K CB 0.024 32.577 32.500 0.088 0.000 0.761 256 K HN 0.057 nan 8.250 nan 0.000 0.459 257 K N -0.898 119.430 120.400 -0.120 0.000 2.361 257 K HA 0.075 4.395 4.320 0.000 0.000 0.194 257 K C -0.424 175.769 176.600 -0.678 0.000 1.032 257 K CA 0.178 56.247 56.287 -0.363 0.000 1.048 257 K CB 0.185 32.429 32.500 -0.427 0.000 0.842 257 K HN 0.121 nan 8.250 nan 0.000 0.526 258 H N 0.967 119.984 119.070 -0.087 0.000 2.744 258 H HA 0.162 4.718 4.556 0.000 0.000 0.339 258 H C -0.829 174.453 175.328 -0.076 0.000 1.004 258 H CA -0.825 55.137 56.048 -0.144 0.000 1.257 258 H CB 1.872 31.504 29.762 -0.217 0.000 1.552 258 H HN 0.058 nan 8.280 nan 0.000 0.522 262 A N 1.408 123.772 122.820 -0.760 0.000 2.384 262 A HA 0.937 5.257 4.320 0.000 0.000 0.312 262 A C -1.633 175.321 177.584 -1.050 0.000 1.113 262 A CA -0.553 51.113 52.037 -0.619 0.000 0.779 262 A CB 1.575 20.277 19.000 -0.496 0.000 1.307 262 A HN 0.449 nan 8.150 nan 0.000 0.436 263 W N 1.486 122.410 121.300 -0.627 0.000 3.042 263 W HA 0.362 5.022 4.660 0.000 0.000 0.337 263 W C -1.138 175.086 176.519 -0.492 0.000 1.086 263 W CA -0.294 56.796 57.345 -0.426 0.000 1.236 263 W CB 1.609 31.058 29.460 -0.018 0.000 1.381 263 W HN 0.704 nan 8.180 nan 0.000 0.472 264 H N 4.104 123.256 119.070 0.136 0.000 2.539 264 H HA 0.350 4.906 4.556 0.000 0.000 0.332 264 H C -0.391 174.990 175.328 0.087 0.000 1.031 264 H CA -0.691 55.414 56.048 0.095 0.000 1.206 264 H CB 2.645 32.386 29.762 -0.036 0.000 1.446 264 H HN 0.160 nan 8.280 nan 0.000 0.496 265 L N 5.652 127.019 121.223 0.240 0.000 2.270 265 L HA 0.313 4.653 4.340 0.000 0.000 0.286 265 L C -0.022 176.949 176.870 0.169 0.000 1.059 265 L CA -0.386 54.471 54.840 0.027 0.000 0.839 265 L CB -0.020 41.901 42.059 -0.230 0.000 1.221 265 L HN 0.451 nan 8.230 nan 0.000 0.431 266 I N 2.676 123.306 120.570 0.101 0.000 2.713 266 I HA 0.357 4.527 4.170 0.000 0.000 0.300 266 I C 0.664 176.886 176.117 0.175 0.000 1.009 266 I CA -0.304 61.082 61.300 0.143 0.000 1.305 266 I CB 1.748 39.776 38.000 0.047 0.000 1.430 266 I HN 0.490 nan 8.210 nan 0.000 0.546 267 T N 0.089 114.726 114.554 0.137 0.000 2.901 267 T HA 0.568 4.918 4.350 0.000 0.000 0.293 267 T C 0.621 175.351 174.700 0.050 0.000 1.084 267 T CA -0.332 61.798 62.100 0.051 0.000 1.008 267 T CB 1.823 70.681 68.868 -0.016 0.000 1.170 267 T HN 0.614 nan 8.240 nan 0.000 0.509 268 A N 1.260 124.092 122.820 0.020 0.000 1.917 268 A HA -0.085 4.235 4.320 0.000 0.000 0.219 268 A C 1.715 179.324 177.584 0.040 0.000 1.182 268 A CA 1.964 54.020 52.037 0.032 0.000 0.633 268 A CB -0.981 18.026 19.000 0.012 0.000 0.819 268 A HN 0.967 nan 8.150 nan 0.000 0.448 269 D N -1.380 119.041 120.400 0.034 0.000 2.336 269 D HA 0.264 4.904 4.640 0.000 0.000 0.228 269 D C 0.971 177.314 176.300 0.072 0.000 1.120 269 D CA 0.535 54.562 54.000 0.045 0.000 0.839 269 D CB -1.018 39.802 40.800 0.034 0.000 0.932 269 D HN 0.764 nan 8.370 nan 0.000 0.509 270 G N 1.332 110.185 108.800 0.089 0.000 2.338 270 G HA2 -0.275 3.685 3.960 0.000 0.000 0.296 270 G HA3 -0.275 3.685 3.960 0.000 0.000 0.296 270 G C 0.239 175.238 174.900 0.164 0.000 1.040 270 G CA -0.049 45.121 45.100 0.118 0.000 1.004 270 G HN 0.361 nan 8.290 nan 0.000 0.509 271 Q N -0.594 119.321 119.800 0.190 0.000 2.129 271 Q HA 0.337 4.677 4.340 0.000 0.000 0.274 271 Q C 1.326 177.513 176.000 0.312 0.000 0.854 271 Q CA 0.316 56.297 55.803 0.296 0.000 1.123 271 Q CB 0.703 29.569 28.738 0.215 0.000 1.226 271 Q HN 0.599 nan 8.270 nan 0.000 0.454 272 G N 0.499 109.504 108.800 0.341 0.000 2.546 272 G HA2 0.572 4.532 3.960 0.000 0.000 0.239 272 G HA3 0.572 4.532 3.960 0.000 0.000 0.239 272 G C -0.083 175.100 174.900 0.472 0.000 1.476 272 G CA -0.360 45.014 45.100 0.456 0.000 1.064 272 G HN 0.208 nan 8.290 nan 0.000 0.561 273 I N -0.517 120.313 120.570 0.433 0.000 2.498 273 I HA 0.310 4.480 4.170 0.000 0.000 0.290 273 I C -0.543 175.784 176.117 0.350 0.000 1.032 273 I CA -0.405 61.128 61.300 0.388 0.000 1.073 273 I CB 2.551 40.782 38.000 0.385 0.000 1.251 273 I HN 0.230 nan 8.210 nan 0.000 0.426 274 T N 6.432 121.128 114.554 0.237 0.000 2.823 274 T HA 0.559 4.909 4.350 0.000 0.000 0.279 274 T C -0.841 173.789 174.700 -0.117 0.000 0.998 274 T CA -0.356 61.834 62.100 0.148 0.000 0.994 274 T CB 1.491 70.513 68.868 0.256 0.000 0.960 274 T HN 0.255 nan 8.240 nan 0.000 0.448 275 L N 5.151 126.197 121.223 -0.296 0.000 2.356 275 L HA 0.752 5.092 4.340 0.000 0.000 0.277 275 L C -1.306 175.477 176.870 -0.145 0.000 0.996 275 L CA -0.535 54.056 54.840 -0.415 0.000 0.822 275 L CB 1.457 42.919 42.059 -0.995 0.000 1.256 275 L HN 0.414 nan 8.230 nan 0.000 0.413 276 V N 4.867 124.768 119.914 -0.023 0.000 2.487 276 V HA 0.387 4.507 4.120 0.000 0.000 0.298 276 V C 0.000 176.210 176.094 0.192 0.000 1.028 276 V CA -0.692 61.689 62.300 0.135 0.000 0.860 276 V CB 1.576 33.578 31.823 0.297 0.000 0.991 276 V HN 0.827 nan 8.190 nan 0.000 0.427 277 N N 4.262 123.087 118.700 0.207 0.000 2.482 277 N HA 0.214 4.954 4.740 0.000 0.000 0.242 277 N C 1.291 176.890 175.510 0.149 0.000 1.100 277 N CA -0.356 52.825 53.050 0.219 0.000 0.946 277 N CB 0.675 39.396 38.487 0.391 0.000 1.227 277 N HN 0.862 nan 8.380 nan 0.000 0.508 278 I N 0.902 121.511 120.570 0.066 0.000 3.001 278 I HA 0.181 4.351 4.170 0.000 0.000 0.268 278 I C 1.109 177.215 176.117 -0.018 0.000 1.267 278 I CA 0.346 61.619 61.300 -0.046 0.000 1.472 278 I CB -0.545 37.313 38.000 -0.236 0.000 1.089 278 I HN 0.593 nan 8.210 nan 0.000 0.468 279 G N 1.149 109.983 108.800 0.055 0.000 2.512 279 G HA2 -0.216 3.744 3.960 0.000 0.000 0.240 279 G HA3 -0.216 3.744 3.960 0.000 0.000 0.240 279 G C -0.436 174.482 174.900 0.029 0.000 1.246 279 G CA 0.059 45.201 45.100 0.070 0.000 0.919 279 G HN 0.876 nan 8.290 nan 0.000 0.577 280 V N 0.159 120.087 119.914 0.025 0.000 2.709 280 V HA 0.950 5.070 4.120 0.000 0.000 0.308 280 V C 0.374 176.468 176.094 0.001 0.000 1.062 280 V CA 1.276 63.586 62.300 0.018 0.000 0.901 280 V CB 1.195 33.048 31.823 0.050 0.000 1.003 280 V HN 3.086 nan 8.190 nan 0.000 0.425 281 G N 5.758 114.551 108.800 -0.012 0.000 2.592 281 G HA2 0.018 3.978 3.960 0.000 0.000 0.685 281 G HA3 0.018 3.978 3.960 0.000 0.000 0.685 281 G C -2.773 172.094 174.900 -0.054 0.000 1.278 281 G CA -0.130 44.961 45.100 -0.015 0.000 0.822 281 G HN 0.633 nan 8.290 nan 0.000 0.652 282 P HA -0.007 nan 4.420 nan 0.000 0.218 282 P C 2.083 179.335 177.300 -0.080 0.000 1.149 282 P CA 1.758 64.813 63.100 -0.076 0.000 0.817 282 P CB 0.179 31.846 31.700 -0.056 0.000 0.785 283 S N -0.272 115.398 115.700 -0.049 0.000 2.359 283 S HA -0.198 4.272 4.470 0.000 0.000 0.224 283 S C 1.684 176.229 174.600 -0.093 0.000 1.035 283 S CA 1.872 60.043 58.200 -0.048 0.000 1.018 283 S CB -1.267 61.923 63.200 -0.015 0.000 0.876 283 S HN 0.351 nan 8.310 nan 0.000 0.448 284 N N 1.569 120.203 118.700 -0.110 0.000 2.216 284 N HA 0.080 4.820 4.740 0.000 0.000 0.183 284 N C 1.905 177.271 175.510 -0.240 0.000 1.017 284 N CA 0.844 53.792 53.050 -0.169 0.000 0.861 284 N CB -0.269 38.139 38.487 -0.132 0.000 0.986 284 N HN 0.389 nan 8.380 nan 0.000 0.428 285 A N 1.683 124.360 122.820 -0.239 0.000 1.902 285 A HA -0.202 4.118 4.320 0.000 0.000 0.217 285 A C 2.086 179.481 177.584 -0.315 0.000 1.181 285 A CA 1.372 53.203 52.037 -0.343 0.000 0.623 285 A CB -0.455 18.363 19.000 -0.302 0.000 0.818 285 A HN 0.226 nan 8.150 nan 0.000 0.443 286 K N -0.896 119.380 120.400 -0.206 0.000 2.057 286 K HA -0.121 4.199 4.320 0.000 0.000 0.206 286 K C 2.000 178.503 176.600 -0.162 0.000 1.050 286 K CA 1.797 57.998 56.287 -0.145 0.000 0.935 286 K CB -0.358 32.093 32.500 -0.083 0.000 0.715 286 K HN 0.422 nan 8.250 nan 0.000 0.439 287 T N 1.806 116.240 114.554 -0.200 0.000 2.652 287 T HA -0.172 4.178 4.350 0.000 0.000 0.267 287 T C 1.796 176.298 174.700 -0.331 0.000 1.039 287 T CA 1.468 63.413 62.100 -0.258 0.000 1.153 287 T CB -0.236 68.465 68.868 -0.278 0.000 0.863 287 T HN 0.197 nan 8.240 nan 0.000 0.428 288 I N 0.900 121.279 120.570 -0.317 0.000 2.226 288 I HA -0.141 4.029 4.170 0.000 0.000 0.245 288 I C 2.390 178.386 176.117 -0.201 0.000 1.100 288 I CA 0.939 62.100 61.300 -0.233 0.000 1.374 288 I CB -0.535 37.304 38.000 -0.269 0.000 1.057 288 I HN 0.307 nan 8.210 nan 0.000 0.413 289 C N 0.375 119.504 119.300 -0.285 0.000 2.440 289 C HA -0.131 4.329 4.460 0.000 0.000 0.278 289 C C 2.381 177.378 174.990 0.013 0.000 1.295 289 C CA 0.715 59.624 59.018 -0.181 0.000 1.738 289 C CB -1.299 26.331 27.740 -0.184 0.000 1.987 289 C HN 0.514 nan 8.230 nan 0.000 0.492 290 D N 0.005 120.351 120.400 -0.089 0.000 2.158 290 D HA -0.129 4.511 4.640 0.000 0.000 0.197 290 D C 1.957 177.996 176.300 -0.436 0.000 0.995 290 D CA 1.421 55.295 54.000 -0.210 0.000 0.846 290 D CB -0.365 40.248 40.800 -0.312 0.000 0.941 290 D HN 0.617 nan 8.370 nan 0.000 0.456 291 H N -0.388 118.593 119.070 -0.147 0.000 2.399 291 H HA 0.126 4.682 4.556 0.000 0.000 0.300 291 H C 2.383 177.564 175.328 -0.245 0.000 1.048 291 H CA 0.060 55.977 56.048 -0.218 0.000 1.370 291 H CB -0.546 29.129 29.762 -0.145 0.000 1.428 291 H HN 0.118 nan 8.280 nan 0.000 0.534 292 L N 0.846 122.063 121.223 -0.011 0.000 2.187 292 L HA -0.152 4.188 4.340 0.000 0.000 0.213 292 L C 2.523 179.437 176.870 0.074 0.000 1.100 292 L CA 0.872 55.732 54.840 0.034 0.000 0.765 292 L CB -0.334 41.858 42.059 0.221 0.000 0.904 292 L HN 0.204 nan 8.230 nan 0.000 0.437 293 A N -0.465 122.366 122.820 0.018 0.000 1.978 293 A HA -0.209 4.111 4.320 0.000 0.000 0.220 293 A C 2.187 179.633 177.584 -0.229 0.000 1.170 293 A CA 1.819 53.802 52.037 -0.090 0.000 0.636 293 A CB -0.934 17.753 19.000 -0.521 0.000 0.810 293 A HN 0.442 nan 8.150 nan 0.000 0.448 294 V N -2.439 117.172 119.914 -0.504 0.000 2.913 294 V HA -0.049 4.071 4.120 0.000 0.000 0.260 294 V C 1.851 177.891 176.094 -0.089 0.000 1.098 294 V CA 1.681 63.715 62.300 -0.444 0.000 1.121 294 V CB -0.773 30.727 31.823 -0.539 0.000 0.714 294 V HN 0.449 nan 8.190 nan 0.000 0.487 295 L N -0.240 120.926 121.223 -0.095 0.000 2.599 295 L HA 0.258 4.598 4.340 0.000 0.000 0.230 295 L C 0.917 177.731 176.870 -0.093 0.000 1.141 295 L CA -0.051 54.750 54.840 -0.064 0.000 0.877 295 L CB -0.307 41.657 42.059 -0.158 0.000 1.009 295 L HN 0.336 nan 8.230 nan 0.000 0.447 296 R N -1.379 119.064 120.500 -0.096 0.000 3.188 296 R HA -0.144 4.196 4.340 0.000 0.000 0.247 296 R C -2.226 173.999 176.300 -0.126 0.000 0.918 296 R CA 0.020 56.039 56.100 -0.136 0.000 0.629 296 R CB -2.230 27.884 30.300 -0.311 0.000 1.087 296 R HN 0.251 nan 8.270 nan 0.000 0.462 297 P HA 0.017 nan 4.420 nan 0.000 0.271 297 P C 0.708 177.900 177.300 -0.180 0.000 1.238 297 P CA -0.211 62.818 63.100 -0.119 0.000 0.794 297 P CB 0.525 32.208 31.700 -0.029 0.000 0.959 298 D N -1.054 119.179 120.400 -0.279 0.000 2.327 298 D HA 0.134 4.774 4.640 0.000 0.000 0.205 298 D C 0.167 176.329 176.300 -0.229 0.000 0.989 298 D CA 0.829 54.702 54.000 -0.212 0.000 0.873 298 D CB 0.613 41.120 40.800 -0.488 0.000 0.955 298 D HN 0.068 nan 8.370 nan 0.000 0.515 299 V N 0.300 120.067 119.914 -0.245 0.000 3.155 299 V HA 0.420 4.540 4.120 0.000 0.000 0.272 299 V C -2.190 173.927 176.094 0.039 0.000 1.639 299 V CA -0.941 61.274 62.300 -0.142 0.000 1.006 299 V CB 1.693 33.514 31.823 -0.005 0.000 1.244 299 V HN 0.136 nan 8.190 nan 0.000 0.458 300 W N 6.060 127.374 121.300 0.023 0.000 2.957 300 W HA 0.880 5.540 4.660 0.000 0.000 0.336 300 W C -2.099 174.455 176.519 0.059 0.000 1.087 300 W CA -1.390 55.923 57.345 -0.054 0.000 1.235 300 W CB 0.645 30.029 29.460 -0.127 0.000 1.399 300 W HN 0.507 nan 8.180 nan 0.000 0.480 304 G N 2.845 111.605 108.800 -0.068 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 -1.351 173.711 174.900 0.271 0.000 1.352 304 G CA -0.680 44.384 45.100 -0.061 0.000 0.789 304 G HN 0.411 nan 8.290 nan 0.000 0.509 305 H N -1.670 117.463 119.070 0.105 0.000 2.505 305 H HA 0.536 5.092 4.556 0.000 0.000 0.355 305 H C 0.272 175.632 175.328 0.053 0.000 1.179 305 H CA 0.022 56.114 56.048 0.073 0.000 1.343 305 H CB 1.516 31.265 29.762 -0.022 0.000 1.501 305 H HN 0.801 nan 8.280 nan 0.000 0.569 306 C N 0.048 119.435 119.300 0.145 0.000 3.321 306 C HA 0.694 5.154 4.460 0.000 0.000 0.329 306 C C 0.204 175.222 174.990 0.046 0.000 1.394 306 C CA -0.848 58.222 59.018 0.087 0.000 1.291 306 C CB 0.676 28.453 27.740 0.061 0.000 1.606 306 C HN 0.946 nan 8.230 nan 0.000 0.463 307 G N 0.328 109.168 108.800 0.068 0.000 2.348 307 G HA2 0.611 4.571 3.960 0.000 0.000 0.312 307 G HA3 0.611 4.571 3.960 0.000 0.000 0.312 307 G C 0.174 175.098 174.900 0.041 0.000 1.126 307 G CA 0.104 45.255 45.100 0.086 0.000 0.865 307 G HN 1.570 nan 8.290 nan 0.000 0.474 308 G N 0.536 109.355 108.800 0.031 0.000 2.353 308 G HA2 0.436 4.396 3.960 0.000 0.000 0.284 308 G HA3 0.436 4.396 3.960 0.000 0.000 0.284 308 G C 0.650 175.592 174.900 0.070 0.000 1.172 308 G CA -0.611 44.495 45.100 0.010 0.000 0.854 308 G HN 0.559 nan 8.290 nan 0.000 0.485 309 L N 1.547 122.795 121.223 0.041 0.000 2.616 309 L HA 0.284 4.624 4.340 0.000 0.000 0.229 309 L C 0.826 177.819 176.870 0.204 0.000 1.110 309 L CA -0.117 54.794 54.840 0.119 0.000 0.884 309 L CB -0.068 41.990 42.059 -0.001 0.000 1.115 309 L HN 0.244 nan 8.230 nan 0.000 0.481 310 R N 0.801 121.357 120.500 0.092 0.000 2.407 310 R HA 0.134 4.474 4.340 0.000 0.000 0.303 310 R C 0.945 177.143 176.300 -0.169 0.000 0.981 310 R CA -0.291 55.833 56.100 0.040 0.000 0.905 310 R CB 1.439 31.730 30.300 -0.015 0.000 1.099 310 R HN 0.101 nan 8.270 nan 0.000 0.459 311 E N 0.842 120.857 120.200 -0.309 0.000 2.118 311 E HA -0.196 4.154 4.350 0.000 0.000 0.195 311 E C 1.012 177.417 176.600 -0.325 0.000 0.992 311 E CA 1.984 57.991 56.400 -0.654 0.000 0.804 311 E CB -0.147 29.355 29.700 -0.330 0.000 0.741 311 E HN 0.528 nan 8.360 nan 0.000 0.458 312 S N -0.746 114.850 115.700 -0.173 0.000 2.555 312 S HA -0.082 4.388 4.470 0.000 0.000 0.230 312 S C 0.817 175.348 174.600 -0.115 0.000 0.978 312 S CA -0.119 58.011 58.200 -0.117 0.000 0.934 312 S CB -0.279 62.877 63.200 -0.072 0.000 0.766 312 S HN 0.285 nan 8.310 nan 0.000 0.533 313 Q N 0.878 120.598 119.800 -0.133 0.000 2.299 313 Q HA 0.671 5.011 4.340 0.000 0.000 0.246 313 Q C -0.515 175.411 176.000 -0.124 0.000 0.935 313 Q CA -0.228 55.507 55.803 -0.114 0.000 0.887 313 Q CB 1.411 30.091 28.738 -0.096 0.000 1.223 313 Q HN 0.542 nan 8.270 nan 0.000 0.439 314 A N 2.882 125.630 122.820 -0.121 0.000 2.365 314 A HA 0.510 4.830 4.320 0.000 0.000 0.318 314 A C -0.521 176.979 177.584 -0.140 0.000 1.091 314 A CA -0.795 51.170 52.037 -0.120 0.000 0.763 314 A CB 0.746 19.678 19.000 -0.113 0.000 1.248 314 A HN 0.790 nan 8.150 nan 0.000 0.442 315 I N 1.725 122.218 120.570 -0.128 0.000 2.741 315 I HA 0.216 4.386 4.170 0.000 0.000 0.288 315 I C 1.472 177.475 176.117 -0.189 0.000 1.192 315 I CA 2.069 63.279 61.300 -0.151 0.000 1.426 315 I CB 0.300 38.223 38.000 -0.128 0.000 1.367 315 I HN 1.120 nan 8.210 nan 0.000 0.563 316 G N 4.038 112.689 108.800 -0.249 0.000 2.238 316 G HA2 -0.195 3.765 3.960 0.000 0.000 0.217 316 G HA3 -0.195 3.765 3.960 0.000 0.000 0.217 316 G C 0.059 174.635 174.900 -0.540 0.000 0.996 316 G CA -0.462 44.441 45.100 -0.327 0.000 0.632 316 G HN 0.560 nan 8.290 nan 0.000 0.503 317 D N 0.005 120.153 120.400 -0.420 0.000 2.363 317 D HA 0.521 5.161 4.640 0.000 0.000 0.240 317 D C 0.074 176.055 176.300 -0.532 0.000 1.236 317 D CA 0.442 54.170 54.000 -0.452 0.000 0.927 317 D CB 0.261 40.927 40.800 -0.224 0.000 1.150 317 D HN 0.205 nan 8.370 nan 0.000 0.458 318 Y N -0.837 119.400 120.300 -0.105 0.000 2.446 318 Y HA 0.487 5.037 4.550 0.000 0.000 0.338 318 Y C 0.108 175.964 175.900 -0.073 0.000 1.055 318 Y CA -0.955 57.076 58.100 -0.114 0.000 1.101 318 Y CB 1.497 39.894 38.460 -0.105 0.000 1.221 318 Y HN -0.082 nan 8.280 nan 0.000 0.460 319 V N 4.373 124.362 119.914 0.125 0.000 2.487 319 V HA 0.354 4.474 4.120 0.000 0.000 0.298 319 V C -1.127 175.000 176.094 0.055 0.000 1.028 319 V CA -0.785 61.542 62.300 0.045 0.000 0.860 319 V CB 1.862 33.684 31.823 -0.002 0.000 0.991 319 V HN 0.527 nan 8.190 nan 0.000 0.427 320 L N 5.362 126.601 121.223 0.026 0.000 2.276 320 L HA 0.824 5.164 4.340 0.000 0.000 0.286 320 L C 0.531 177.377 176.870 -0.040 0.000 1.024 320 L CA -0.167 54.694 54.840 0.035 0.000 0.826 320 L CB 0.981 43.085 42.059 0.075 0.000 1.211 320 L HN 0.755 nan 8.230 nan 0.000 0.422 321 A N 3.574 126.368 122.820 -0.042 0.000 2.492 321 A HA 0.339 4.659 4.320 0.000 0.000 0.254 321 A C 0.439 177.959 177.584 -0.107 0.000 1.091 321 A CA 0.298 52.229 52.037 -0.176 0.000 0.768 321 A CB -0.222 18.589 19.000 -0.314 0.000 1.028 321 A HN 0.962 nan 8.150 nan 0.000 0.498 322 H N 0.411 119.348 119.070 -0.221 0.000 2.755 322 H HA 0.629 5.185 4.556 0.000 0.000 0.273 322 H C -0.075 175.142 175.328 -0.185 0.000 1.055 322 H CA -0.152 55.809 56.048 -0.145 0.000 1.191 322 H CB -0.391 29.319 29.762 -0.087 0.000 1.536 322 H HN 0.991 nan 8.280 nan 0.000 0.529 323 A N -0.156 122.659 122.820 -0.008 0.000 2.567 323 A HA 0.577 4.897 4.320 0.000 0.000 0.291 323 A C -2.195 175.153 177.584 -0.394 0.000 1.048 323 A CA -0.892 51.043 52.037 -0.170 0.000 0.661 323 A CB 0.658 19.586 19.000 -0.119 0.000 1.288 323 A HN 0.157 nan 8.150 nan 0.000 0.424 324 Y N -0.322 119.994 120.300 0.027 0.000 2.442 324 Y HA 0.604 5.154 4.550 0.000 0.000 0.344 324 Y C -0.299 175.575 175.900 -0.044 0.000 0.976 324 Y CA -0.725 57.366 58.100 -0.015 0.000 1.040 324 Y CB 2.147 40.586 38.460 -0.034 0.000 1.228 324 Y HN 0.604 nan 8.280 nan 0.000 0.451 325 L N 4.445 125.716 121.223 0.079 0.000 2.270 325 L HA 0.500 4.840 4.340 0.000 0.000 0.286 325 L C -0.322 176.547 176.870 -0.002 0.000 1.059 325 L CA -0.706 54.144 54.840 0.017 0.000 0.839 325 L CB 0.336 42.382 42.059 -0.023 0.000 1.221 325 L HN 0.537 nan 8.230 nan 0.000 0.431 326 R N 3.657 124.147 120.500 -0.016 0.000 2.878 326 R HA 0.138 4.478 4.340 0.000 0.000 0.239 326 R C -0.462 175.769 176.300 -0.115 0.000 1.515 326 R CA 0.030 56.089 56.100 -0.068 0.000 1.210 326 R CB -0.130 30.123 30.300 -0.078 0.000 1.209 326 R HN 0.545 nan 8.270 nan 0.000 0.610 327 D N 0.941 121.247 120.400 -0.157 0.000 2.587 327 D HA -0.040 4.600 4.640 0.000 0.000 0.233 327 D C 0.417 176.416 176.300 -0.501 0.000 1.213 327 D CA 0.244 54.074 54.000 -0.283 0.000 0.827 327 D CB 0.519 41.230 40.800 -0.148 0.000 1.006 327 D HN 0.467 nan 8.370 nan 0.000 0.490 328 D N -0.974 119.204 120.400 -0.370 0.000 2.346 328 D HA -0.112 4.528 4.640 0.000 0.000 0.206 328 D C 0.844 177.017 176.300 -0.212 0.000 1.001 328 D CA 0.408 54.244 54.000 -0.273 0.000 0.871 328 D CB 0.071 40.783 40.800 -0.146 0.000 0.943 328 D HN 0.107 nan 8.370 nan 0.000 0.518 329 H N -0.566 118.495 119.070 -0.014 0.000 5.008 329 H HA -0.215 4.341 4.556 0.000 0.000 0.076 329 H C 1.853 177.171 175.328 -0.017 0.000 0.562 329 H CA 1.393 57.435 56.048 -0.010 0.000 1.089 329 H CB -1.644 28.120 29.762 0.003 0.000 0.500 329 H HN 0.244 nan 8.280 nan 0.000 0.725 330 V N 1.673 121.641 119.914 0.090 0.000 2.527 330 V HA -0.196 3.924 4.120 0.000 0.000 0.255 330 V C 2.127 178.230 176.094 0.015 0.000 1.081 330 V CA 2.477 64.802 62.300 0.041 0.000 1.092 330 V CB -0.409 31.418 31.823 0.006 0.000 0.673 330 V HN 0.369 nan 8.190 nan 0.000 0.470 331 L N -0.783 120.436 121.223 -0.006 0.000 2.808 331 L HA 0.215 4.555 4.340 0.000 0.000 0.246 331 L C 1.577 178.441 176.870 -0.011 0.000 1.153 331 L CA -0.098 54.730 54.840 -0.021 0.000 0.956 331 L CB 0.046 42.068 42.059 -0.061 0.000 1.270 331 L HN 0.207 nan 8.230 nan 0.000 0.528 332 D N 1.395 121.804 120.400 0.016 0.000 2.149 332 D HA -0.201 4.439 4.640 0.000 0.000 0.198 332 D C 2.217 178.525 176.300 0.013 0.000 0.990 332 D CA 1.548 55.560 54.000 0.021 0.000 0.839 332 D CB 0.156 40.990 40.800 0.057 0.000 0.948 332 D HN 0.343 nan 8.370 nan 0.000 0.460 333 A N 0.427 123.256 122.820 0.016 0.000 1.930 333 A HA -0.089 4.231 4.320 0.000 0.000 0.217 333 A C 2.317 179.907 177.584 0.011 0.000 1.175 333 A CA 1.772 53.817 52.037 0.014 0.000 0.627 333 A CB -0.482 18.527 19.000 0.016 0.000 0.815 333 A HN 0.256 nan 8.150 nan 0.000 0.443 334 V N -4.281 115.638 119.914 0.008 0.000 3.506 334 V HA 0.442 4.562 4.120 0.000 0.000 0.263 334 V C 0.463 176.557 176.094 0.001 0.000 1.203 334 V CA 0.495 62.800 62.300 0.008 0.000 1.133 334 V CB 0.086 31.915 31.823 0.009 0.000 0.802 334 V HN 0.297 nan 8.190 nan 0.000 0.459 335 L N 1.675 122.892 121.223 -0.011 0.000 2.534 335 L HA 0.668 5.008 4.340 0.000 0.000 0.259 335 L C -2.912 173.940 176.870 -0.030 0.000 1.108 335 L CA -1.611 53.216 54.840 -0.021 0.000 0.905 335 L CB 1.464 43.492 42.059 -0.051 0.000 1.138 335 L HN -0.012 nan 8.230 nan 0.000 0.475 336 P HA 0.086 nan 4.420 nan 0.000 0.264 336 P C -2.055 175.230 177.300 -0.026 0.000 1.179 336 P CA -0.635 62.459 63.100 -0.010 0.000 0.763 336 P CB 0.211 31.911 31.700 -0.001 0.000 0.806 337 P HA -0.181 nan 4.420 nan 0.000 0.223 337 P C 0.721 178.005 177.300 -0.025 0.000 1.144 337 P CA 1.381 64.467 63.100 -0.023 0.000 0.783 337 P CB -0.192 31.509 31.700 0.001 0.000 0.771 338 D N -1.637 118.753 120.400 -0.017 0.000 2.340 338 D HA -0.036 4.604 4.640 0.000 0.000 0.220 338 D C 0.481 176.769 176.300 -0.020 0.000 1.039 338 D CA 0.174 54.166 54.000 -0.013 0.000 0.866 338 D CB -0.171 40.628 40.800 -0.001 0.000 0.913 338 D HN 0.094 nan 8.370 nan 0.000 0.523 339 I N 3.731 124.278 120.570 -0.038 0.000 2.436 339 I HA 0.137 4.307 4.170 0.000 0.000 0.289 339 I C -1.981 174.076 176.117 -0.101 0.000 1.083 339 I CA -2.176 59.095 61.300 -0.047 0.000 1.372 339 I CB 0.228 38.195 38.000 -0.054 0.000 1.408 339 I HN -0.129 nan 8.210 nan 0.000 0.516 340 P HA 0.198 nan 4.420 nan 0.000 0.271 340 P C -0.639 176.562 177.300 -0.166 0.000 1.220 340 P CA -0.259 62.798 63.100 -0.071 0.000 0.768 340 P CB 1.249 32.944 31.700 -0.009 0.000 0.848 341 I N 5.998 126.474 120.570 -0.157 0.000 2.307 341 I HA 0.237 4.407 4.170 0.000 0.000 0.287 341 I C -1.293 174.897 176.117 0.122 0.000 1.054 341 I CA -2.543 58.640 61.300 -0.194 0.000 1.218 341 I CB 0.412 38.285 38.000 -0.211 0.000 1.398 341 I HN 0.268 nan 8.210 nan 0.000 0.475 342 P HA 0.283 nan 4.420 nan 0.000 0.279 342 P C -0.362 177.123 177.300 0.309 0.000 1.282 342 P CA -0.360 62.869 63.100 0.216 0.000 0.788 342 P CB 1.035 32.843 31.700 0.180 0.000 1.139 343 S N -0.137 115.663 115.700 0.168 0.000 2.578 343 S HA 0.412 4.882 4.470 0.000 0.000 0.283 343 S C 0.234 174.831 174.600 -0.005 0.000 1.195 343 S CA -0.591 57.680 58.200 0.118 0.000 1.050 343 S CB 0.325 63.572 63.200 0.078 0.000 1.012 343 S HN 0.224 nan 8.310 nan 0.000 0.511 344 I N 3.018 123.512 120.570 -0.127 0.000 2.301 344 I HA 0.219 4.389 4.170 0.000 0.000 0.292 344 I C 1.408 177.480 176.117 -0.075 0.000 1.046 344 I CA -0.554 60.650 61.300 -0.160 0.000 1.282 344 I CB -0.171 37.640 38.000 -0.314 0.000 1.409 344 I HN 0.808 nan 8.210 nan 0.000 0.484 345 A N 6.093 128.887 122.820 -0.043 0.000 1.903 345 A HA -0.224 4.096 4.320 0.000 0.000 0.219 345 A C 1.963 179.539 177.584 -0.014 0.000 1.191 345 A CA 1.808 53.831 52.037 -0.023 0.000 0.638 345 A CB -0.327 18.661 19.000 -0.020 0.000 0.823 345 A HN 0.693 nan 8.150 nan 0.000 0.451 346 E N -0.329 119.861 120.200 -0.017 0.000 2.058 346 E HA -0.125 4.225 4.350 0.000 0.000 0.194 346 E C 1.944 178.552 176.600 0.014 0.000 0.997 346 E CA 1.375 57.778 56.400 0.004 0.000 0.801 346 E CB -0.617 29.088 29.700 0.009 0.000 0.746 346 E HN 0.376 nan 8.360 nan 0.000 0.450 347 V N 1.209 121.117 119.914 -0.009 0.000 2.427 347 V HA -0.248 3.872 4.120 0.000 0.000 0.248 347 V C 2.222 178.341 176.094 0.042 0.000 1.051 347 V CA 1.567 63.875 62.300 0.013 0.000 1.048 347 V CB -0.529 31.278 31.823 -0.026 0.000 0.666 347 V HN 0.248 nan 8.190 nan 0.000 0.456 348 Q N 0.174 119.993 119.800 0.031 0.000 2.084 348 Q HA -0.167 4.173 4.340 0.000 0.000 0.202 348 Q C 2.440 178.487 176.000 0.079 0.000 0.978 348 Q CA 1.577 57.412 55.803 0.053 0.000 0.844 348 Q CB -0.365 28.388 28.738 0.026 0.000 0.898 348 Q HN 0.622 nan 8.270 nan 0.000 0.426 349 R N 0.291 120.827 120.500 0.059 0.000 2.075 349 R HA -0.031 4.309 4.340 0.000 0.000 0.232 349 R C 2.333 178.711 176.300 0.130 0.000 1.126 349 R CA 1.069 57.224 56.100 0.092 0.000 0.963 349 R CB -0.449 29.884 30.300 0.054 0.000 0.858 349 R HN 0.212 nan 8.270 nan 0.000 0.435 350 A N 1.482 124.354 122.820 0.088 0.000 1.883 350 A HA -0.179 4.141 4.320 0.000 0.000 0.217 350 A C 2.068 179.697 177.584 0.075 0.000 1.186 350 A CA 1.273 53.355 52.037 0.076 0.000 0.624 350 A CB -0.484 18.556 19.000 0.067 0.000 0.822 350 A HN 0.096 nan 8.150 nan 0.000 0.444 351 L N -1.940 119.335 121.223 0.086 0.000 2.046 351 L HA -0.136 4.204 4.340 0.000 0.000 0.208 351 L C 2.338 179.255 176.870 0.078 0.000 1.077 351 L CA 1.894 56.776 54.840 0.071 0.000 0.747 351 L CB -1.488 40.624 42.059 0.088 0.000 0.896 351 L HN 0.610 nan 8.230 nan 0.000 0.432 352 Y N 0.701 121.000 120.300 -0.001 0.000 2.133 352 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 352 Y C 2.428 178.324 175.900 -0.006 0.000 1.134 352 Y CA 1.865 59.963 58.100 -0.003 0.000 1.133 352 Y CB -0.159 38.304 38.460 0.006 0.000 0.987 352 Y HN 0.257 nan 8.280 nan 0.000 0.502 353 D N 0.156 120.618 120.400 0.104 0.000 2.104 353 D HA -0.208 4.432 4.640 0.000 0.000 0.194 353 D C 2.295 178.559 176.300 -0.061 0.000 0.994 353 D CA 1.602 55.607 54.000 0.008 0.000 0.830 353 D CB -0.773 40.070 40.800 0.072 0.000 0.959 353 D HN 0.471 nan 8.370 nan 0.000 0.452 354 A N 0.373 123.173 122.820 -0.034 0.000 1.986 354 A HA -0.193 4.128 4.320 0.000 0.000 0.220 354 A C 2.359 179.882 177.584 -0.101 0.000 1.171 354 A CA 2.159 54.165 52.037 -0.052 0.000 0.640 354 A CB -0.861 18.118 19.000 -0.035 0.000 0.811 354 A HN 0.237 nan 8.150 nan 0.000 0.451 355 T N -0.538 113.925 114.554 -0.152 0.000 2.857 355 T HA -0.073 4.277 4.350 0.000 0.000 0.266 355 T C 1.931 176.522 174.700 -0.181 0.000 1.048 355 T CA 1.476 63.455 62.100 -0.203 0.000 1.139 355 T CB -0.098 68.625 68.868 -0.242 0.000 0.874 355 T HN 0.526 nan 8.240 nan 0.000 0.455 356 K N 0.713 120.974 120.400 -0.231 0.000 1.985 356 K HA 0.003 4.323 4.320 0.000 0.000 0.210 356 K C 2.198 178.741 176.600 -0.095 0.000 1.047 356 K CA 1.081 57.256 56.287 -0.188 0.000 0.932 356 K CB -0.415 31.961 32.500 -0.207 0.000 0.716 356 K HN 0.261 nan 8.250 nan 0.000 0.439 357 L N 0.563 121.741 121.223 -0.074 0.000 1.933 357 L HA -0.262 4.078 4.340 0.000 0.000 0.220 357 L C 2.450 179.302 176.870 -0.031 0.000 1.078 357 L CA 1.394 56.210 54.840 -0.039 0.000 0.773 357 L CB -1.045 40.998 42.059 -0.027 0.000 0.890 357 L HN 0.015 nan 8.230 nan 0.000 0.434 358 V N -0.838 119.055 119.914 -0.036 0.000 2.252 358 V HA -0.255 3.865 4.120 0.000 0.000 0.249 358 V C 1.618 177.710 176.094 -0.004 0.000 1.056 358 V CA 1.789 64.076 62.300 -0.022 0.000 1.022 358 V CB -0.506 31.294 31.823 -0.037 0.000 0.641 358 V HN 0.426 nan 8.190 nan 0.000 0.445 359 S N -0.046 115.648 115.700 -0.010 0.000 3.072 359 S HA 0.455 4.925 4.470 0.000 0.000 0.306 359 S C 0.669 175.277 174.600 0.015 0.000 1.207 359 S CA 0.334 58.556 58.200 0.037 0.000 1.008 359 S CB -1.151 62.104 63.200 0.092 0.000 1.390 359 S HN 1.083 nan 8.310 nan 0.000 0.523 360 G N 4.908 113.716 108.800 0.014 0.000 2.575 360 G HA2 -0.257 3.703 3.960 0.000 0.000 0.267 360 G HA3 -0.257 3.703 3.960 0.000 0.000 0.267 360 G C -0.278 174.617 174.900 -0.008 0.000 1.264 360 G CA 0.017 45.120 45.100 0.004 0.000 0.935 360 G HN 0.957 nan 8.290 nan 0.000 0.568 361 R N 0.654 121.149 120.500 -0.009 0.000 2.531 361 R HA 0.567 4.907 4.340 0.000 0.000 0.273 361 R C -2.184 174.102 176.300 -0.024 0.000 1.070 361 R CA -1.377 54.715 56.100 -0.013 0.000 1.112 361 R CB -0.389 29.907 30.300 -0.006 0.000 1.049 361 R HN 0.383 nan 8.270 nan 0.000 0.508 362 P HA 0.132 nan 4.420 nan 0.000 0.330 362 P C 0.192 177.479 177.300 -0.021 0.000 1.436 362 P CA 0.662 63.739 63.100 -0.038 0.000 0.845 362 P CB -0.135 31.552 31.700 -0.022 0.000 2.027 363 G N -0.204 108.596 108.800 0.001 0.000 2.645 363 G HA2 -0.177 3.783 3.960 0.000 0.000 0.239 363 G HA3 -0.177 3.783 3.960 0.000 0.000 0.239 363 G C 0.473 175.397 174.900 0.040 0.000 1.331 363 G CA 0.357 45.471 45.100 0.024 0.000 0.890 363 G HN 0.613 nan 8.290 nan 0.000 0.572 364 E N 0.544 120.772 120.200 0.047 0.000 2.465 364 E HA 0.048 4.398 4.350 0.000 0.000 0.191 364 E C 1.616 178.239 176.600 0.039 0.000 1.053 364 E CA 1.203 57.641 56.400 0.063 0.000 0.869 364 E CB 0.084 29.817 29.700 0.055 0.000 0.977 364 E HN 0.809 nan 8.360 nan 0.000 0.483 365 E N 1.181 121.392 120.200 0.018 0.000 2.347 365 E HA -0.111 4.239 4.350 0.000 0.000 0.196 365 E C 1.892 178.493 176.600 0.001 0.000 1.008 365 E CA 1.023 57.427 56.400 0.007 0.000 0.852 365 E CB 0.045 29.745 29.700 -0.000 0.000 0.783 365 E HN 0.238 nan 8.360 nan 0.000 0.505 366 V N -0.365 119.545 119.914 -0.007 0.000 2.407 366 V HA -0.239 3.881 4.120 0.000 0.000 0.248 366 V C 2.054 178.158 176.094 0.017 0.000 1.055 366 V CA 1.405 63.691 62.300 -0.023 0.000 1.049 366 V CB -0.607 31.146 31.823 -0.116 0.000 0.662 366 V HN 0.105 nan 8.190 nan 0.000 0.455 367 K N 0.611 121.036 120.400 0.043 0.000 2.189 367 K HA -0.279 4.041 4.320 0.000 0.000 0.207 367 K C 2.246 178.856 176.600 0.017 0.000 1.046 367 K CA 2.403 58.717 56.287 0.045 0.000 0.928 367 K CB -0.435 32.091 32.500 0.044 0.000 0.720 367 K HN 0.712 nan 8.250 nan 0.000 0.458 368 Q N -0.486 119.317 119.800 0.005 0.000 2.297 368 Q HA -0.107 4.233 4.340 0.000 0.000 0.204 368 Q C 1.928 177.913 176.000 -0.026 0.000 0.962 368 Q CA 0.907 56.702 55.803 -0.013 0.000 0.879 368 Q CB 0.048 28.776 28.738 -0.016 0.000 0.947 368 Q HN 0.097 nan 8.270 nan 0.000 0.462 369 R N -0.357 120.135 120.500 -0.012 0.000 2.316 369 R HA 0.176 4.516 4.340 0.000 0.000 0.201 369 R C -0.558 175.752 176.300 0.017 0.000 0.888 369 R CA 0.106 56.191 56.100 -0.024 0.000 1.041 369 R CB 0.629 30.932 30.300 0.006 0.000 1.115 369 R HN 0.045 nan 8.270 nan 0.000 0.559 370 L N 0.987 122.241 121.223 0.052 0.000 2.356 370 L HA 0.597 4.937 4.340 0.000 0.000 0.277 370 L C -1.387 175.517 176.870 0.056 0.000 0.996 370 L CA -0.826 54.067 54.840 0.089 0.000 0.822 370 L CB 1.615 43.735 42.059 0.101 0.000 1.256 370 L HN -0.069 nan 8.230 nan 0.000 0.413 371 R N 2.430 122.950 120.500 0.033 0.000 2.494 371 R HA 0.710 5.050 4.340 0.000 0.000 0.305 371 R C -1.257 175.025 176.300 -0.030 0.000 0.959 371 R CA -0.215 55.881 56.100 -0.008 0.000 0.864 371 R CB 1.700 31.976 30.300 -0.039 0.000 1.159 371 R HN 0.706 nan 8.270 nan 0.000 0.446 372 T N 2.814 117.329 114.554 -0.064 0.000 2.758 372 T HA 0.785 5.135 4.350 0.000 0.000 0.285 372 T C -0.476 174.002 174.700 -0.371 0.000 0.981 372 T CA 0.068 62.084 62.100 -0.141 0.000 0.965 372 T CB 1.395 70.223 68.868 -0.067 0.000 0.927 372 T HN 0.782 nan 8.240 nan 0.000 0.448 373 G N 1.807 110.249 108.800 -0.596 0.000 2.427 373 G HA2 0.448 4.408 3.960 0.000 0.000 0.306 373 G HA3 0.448 4.408 3.960 0.000 0.000 0.306 373 G C -1.013 173.467 174.900 -0.700 0.000 1.280 373 G CA -0.714 43.789 45.100 -0.994 0.000 0.837 373 G HN 0.515 nan 8.290 nan 0.000 0.482 374 T N 0.589 114.962 114.554 -0.302 0.000 2.794 374 T HA 0.499 4.849 4.350 0.000 0.000 0.296 374 T C 0.082 174.685 174.700 -0.161 0.000 0.949 374 T CA -0.013 62.039 62.100 -0.079 0.000 1.101 374 T CB 1.244 70.140 68.868 0.047 0.000 0.905 374 T HN 0.491 nan 8.240 nan 0.000 0.516 375 V N 4.425 124.236 119.914 -0.172 0.000 2.483 375 V HA 0.377 4.497 4.120 0.000 0.000 0.295 375 V C 0.110 176.144 176.094 -0.100 0.000 1.035 375 V CA -0.778 61.439 62.300 -0.138 0.000 0.896 375 V CB 1.905 33.685 31.823 -0.071 0.000 0.986 375 V HN 0.649 nan 8.190 nan 0.000 0.447 376 V N 3.706 123.502 119.914 -0.197 0.000 2.407 376 V HA 0.393 4.513 4.120 0.000 0.000 0.278 376 V C 0.340 176.348 176.094 -0.143 0.000 1.037 376 V CA -0.164 62.010 62.300 -0.210 0.000 0.900 376 V CB 1.726 33.281 31.823 -0.447 0.000 0.983 376 V HN 0.965 nan 8.190 nan 0.000 0.459 377 T N 3.803 118.310 114.554 -0.078 0.000 2.770 377 T HA 0.459 4.809 4.350 0.000 0.000 0.283 377 T C -0.041 174.602 174.700 -0.095 0.000 0.988 377 T CA -0.146 61.915 62.100 -0.066 0.000 0.957 377 T CB 1.366 70.207 68.868 -0.045 0.000 0.930 377 T HN 0.790 nan 8.240 nan 0.000 0.443 378 T N 1.071 115.583 114.554 -0.070 0.000 2.942 378 T HA 0.412 4.762 4.350 0.000 0.000 0.289 378 T C 0.022 174.721 174.700 -0.003 0.000 1.044 378 T CA -0.836 61.233 62.100 -0.051 0.000 1.023 378 T CB 1.186 70.059 68.868 0.009 0.000 1.123 378 T HN 0.616 nan 8.240 nan 0.000 0.512 379 D N 0.806 121.213 120.400 0.012 0.000 2.395 379 D HA 0.153 4.793 4.640 0.000 0.000 0.213 379 D C -0.122 176.249 176.300 0.119 0.000 1.110 379 D CA -0.191 53.847 54.000 0.063 0.000 0.835 379 D CB 0.205 41.058 40.800 0.088 0.000 0.965 379 D HN 0.378 nan 8.370 nan 0.000 0.505 380 D N 0.660 121.157 120.400 0.160 0.000 2.458 380 D HA 0.151 4.791 4.640 0.000 0.000 0.258 380 D C 1.331 177.798 176.300 0.279 0.000 1.134 380 D CA -0.578 53.544 54.000 0.203 0.000 0.915 380 D CB 1.042 41.978 40.800 0.227 0.000 1.028 380 D HN -0.212 nan 8.370 nan 0.000 0.508 381 R N 2.501 123.119 120.500 0.197 0.000 2.133 381 R HA -0.071 4.269 4.340 0.000 0.000 0.247 381 R C 0.429 176.779 176.300 0.083 0.000 1.151 381 R CA 1.432 57.644 56.100 0.187 0.000 0.971 381 R CB -0.208 30.152 30.300 0.100 0.000 0.866 381 R HN 0.225 nan 8.270 nan 0.000 0.447 382 N N 1.095 119.813 118.700 0.030 0.000 2.389 382 N HA -0.024 4.716 4.740 0.000 0.000 0.237 382 N C 0.445 175.886 175.510 -0.115 0.000 1.148 382 N CA 0.394 53.377 53.050 -0.111 0.000 0.854 382 N CB -0.262 38.189 38.487 -0.061 0.000 1.115 382 N HN 0.487 nan 8.380 nan 0.000 0.492 383 W N 0.765 122.107 121.300 0.070 0.000 2.341 383 W HA -0.162 4.498 4.660 0.000 0.000 0.283 383 W C 0.468 177.030 176.519 0.072 0.000 1.215 383 W CA 0.386 57.781 57.345 0.083 0.000 1.211 383 W CB -0.662 28.881 29.460 0.137 0.000 1.131 383 W HN 0.053 nan 8.180 nan 0.000 0.552 384 E N 1.393 121.126 120.200 -0.777 0.000 2.160 384 E HA -0.157 4.193 4.350 0.000 0.000 0.195 384 E C 2.248 178.730 176.600 -0.196 0.000 0.991 384 E CA 1.723 57.721 56.400 -0.671 0.000 0.810 384 E CB -0.809 28.394 29.700 -0.830 0.000 0.742 384 E HN 0.310 nan 8.360 nan 0.000 0.466 385 L N 0.054 121.192 121.223 -0.141 0.000 2.549 385 L HA -0.064 4.276 4.340 0.000 0.000 0.230 385 L C 0.774 177.651 176.870 0.012 0.000 1.162 385 L CA 0.864 55.672 54.840 -0.053 0.000 0.834 385 L CB -0.131 41.902 42.059 -0.043 0.000 0.947 385 L HN 0.009 nan 8.230 nan 0.000 0.452 386 R N -2.088 118.451 120.500 0.065 0.000 2.711 386 R HA 0.054 4.394 4.340 0.000 0.000 0.350 386 R C 0.590 176.970 176.300 0.134 0.000 1.146 386 R CA -0.280 55.870 56.100 0.083 0.000 1.190 386 R CB 0.203 30.552 30.300 0.083 0.000 1.312 386 R HN -0.042 nan 8.270 nan 0.000 0.635 387 Y N 2.173 122.479 120.300 0.009 0.000 2.081 387 Y HA -0.334 4.216 4.550 0.000 0.000 0.280 387 Y C 2.319 178.177 175.900 -0.069 0.000 1.163 387 Y CA 2.207 60.310 58.100 0.005 0.000 1.135 387 Y CB -0.343 38.118 38.460 0.002 0.000 0.970 387 Y HN 0.243 nan 8.280 nan 0.000 0.498 388 S N 0.576 116.107 115.700 -0.281 0.000 2.368 388 S HA -0.334 4.136 4.470 0.000 0.000 0.226 388 S C 2.307 176.730 174.600 -0.296 0.000 1.044 388 S CA 1.835 59.812 58.200 -0.371 0.000 1.062 388 S CB -1.537 61.557 63.200 -0.176 0.000 0.931 388 S HN 0.580 nan 8.310 nan 0.000 0.440 389 A N 1.380 124.105 122.820 -0.158 0.000 1.978 389 A HA -0.018 4.302 4.320 0.000 0.000 0.220 389 A C 2.414 179.911 177.584 -0.146 0.000 1.170 389 A CA 1.937 53.909 52.037 -0.109 0.000 0.636 389 A CB -0.932 18.047 19.000 -0.035 0.000 0.810 389 A HN 0.589 nan 8.150 nan 0.000 0.448 390 S N -0.607 114.962 115.700 -0.219 0.000 2.404 390 S HA 0.202 4.672 4.470 0.000 0.000 0.223 390 S C 2.340 176.592 174.600 -0.579 0.000 1.040 390 S CA 0.675 58.659 58.200 -0.360 0.000 0.957 390 S CB -0.443 62.495 63.200 -0.437 0.000 0.826 390 S HN 0.814 nan 8.310 nan 0.000 0.491 391 A N 2.053 124.456 122.820 -0.694 0.000 1.929 391 A HA -0.228 4.092 4.320 0.000 0.000 0.221 391 A C 2.106 179.551 177.584 -0.232 0.000 1.211 391 A CA 1.996 53.681 52.037 -0.587 0.000 0.657 391 A CB -1.007 17.455 19.000 -0.897 0.000 0.827 391 A HN 0.437 nan 8.150 nan 0.000 0.462 392 L N -0.460 120.647 121.223 -0.194 0.000 2.083 392 L HA -0.165 4.175 4.340 0.000 0.000 0.209 392 L C 2.503 179.373 176.870 0.001 0.000 1.083 392 L CA 2.156 56.951 54.840 -0.076 0.000 0.752 392 L CB -0.447 41.570 42.059 -0.070 0.000 0.899 392 L HN 0.393 nan 8.230 nan 0.000 0.433 393 R N -1.655 118.855 120.500 0.017 0.000 2.066 393 R HA -0.118 4.222 4.340 0.000 0.000 0.232 393 R C 2.230 178.679 176.300 0.247 0.000 1.131 393 R CA 1.430 57.601 56.100 0.117 0.000 0.955 393 R CB -0.572 29.813 30.300 0.141 0.000 0.851 393 R HN 0.257 nan 8.270 nan 0.000 0.432 394 F N 1.591 121.525 119.950 -0.028 0.000 2.091 394 F HA -0.234 4.293 4.527 0.000 0.000 0.299 394 F C 2.241 178.040 175.800 -0.001 0.000 1.103 394 F CA 0.841 58.828 58.000 -0.022 0.000 1.228 394 F CB -1.117 37.892 39.000 0.014 0.000 0.984 394 F HN 0.161 nan 8.300 nan 0.000 0.477 395 N N 0.229 119.063 118.700 0.224 0.000 2.106 395 N HA -0.161 4.579 4.740 0.000 0.000 0.188 395 N C 1.913 177.472 175.510 0.082 0.000 1.029 395 N CA 0.705 53.830 53.050 0.125 0.000 0.848 395 N CB -0.156 38.381 38.487 0.083 0.000 1.007 395 N HN 0.100 nan 8.380 nan 0.000 0.423 396 L N 1.224 122.490 121.223 0.072 0.000 2.131 396 L HA -0.087 4.253 4.340 0.000 0.000 0.210 396 L C 2.224 179.121 176.870 0.045 0.000 1.092 396 L CA 1.505 56.374 54.840 0.048 0.000 0.759 396 L CB -0.705 41.378 42.059 0.041 0.000 0.903 396 L HN 0.254 nan 8.230 nan 0.000 0.435 397 S N -1.929 113.803 115.700 0.053 0.000 2.556 397 S HA 0.088 4.558 4.470 0.000 0.000 0.216 397 S C 0.715 175.331 174.600 0.027 0.000 0.970 397 S CA -0.507 57.712 58.200 0.032 0.000 0.912 397 S CB 0.032 63.243 63.200 0.017 0.000 0.790 397 S HN 0.371 nan 8.310 nan 0.000 0.504 398 R N 0.611 121.132 120.500 0.036 0.000 3.516 398 R HA -0.137 4.203 4.340 0.000 0.000 0.271 398 R C 0.401 176.692 176.300 -0.016 0.000 1.098 398 R CA 0.774 56.890 56.100 0.027 0.000 0.732 398 R CB -3.100 27.222 30.300 0.037 0.000 1.152 398 R HN 0.774 nan 8.270 nan 0.000 0.455 399 A N 0.022 122.811 122.820 -0.053 0.000 2.587 399 A HA 0.196 4.516 4.320 0.000 0.000 0.233 399 A C 1.493 178.982 177.584 -0.159 0.000 1.049 399 A CA 0.697 52.629 52.037 -0.174 0.000 0.754 399 A CB 0.539 19.301 19.000 -0.397 0.000 0.977 399 A HN 0.150 nan 8.150 nan 0.000 0.509 400 V N 1.292 121.097 119.914 -0.181 0.000 3.484 400 V HA 0.496 4.616 4.120 0.000 0.000 0.252 400 V C 0.912 176.919 176.094 -0.146 0.000 1.282 400 V CA 1.532 63.748 62.300 -0.140 0.000 1.104 400 V CB 0.128 31.864 31.823 -0.146 0.000 0.868 400 V HN 1.351 nan 8.190 nan 0.000 0.457 401 A N -0.334 122.368 122.820 -0.196 0.000 2.609 401 A HA 0.801 5.121 4.320 0.000 0.000 0.291 401 A C -1.746 175.690 177.584 -0.247 0.000 1.096 401 A CA -0.365 51.572 52.037 -0.167 0.000 0.684 401 A CB 1.897 20.842 19.000 -0.092 0.000 1.282 401 A HN 0.130 nan 8.150 nan 0.000 0.412 402 I N 1.208 121.664 120.570 -0.191 0.000 2.569 402 I HA 0.563 4.733 4.170 0.000 0.000 0.290 402 I C -1.737 174.347 176.117 -0.054 0.000 1.088 402 I CA -0.342 60.818 61.300 -0.233 0.000 1.047 402 I CB 1.775 39.498 38.000 -0.462 0.000 1.237 402 I HN 0.956 nan 8.210 nan 0.000 0.421 406 S N 1.350 117.031 115.700 -0.031 0.000 2.404 406 S HA -0.327 4.143 4.470 0.000 0.000 0.230 406 S C 2.132 176.609 174.600 -0.205 0.000 1.046 406 S CA 2.040 60.249 58.200 0.014 0.000 1.135 406 S CB -0.640 62.687 63.200 0.212 0.000 1.056 406 S HN 0.456 nan 8.310 nan 0.000 0.426 407 A N 0.938 123.612 122.820 -0.243 0.000 1.978 407 A HA -0.144 4.176 4.320 0.000 0.000 0.220 407 A C 2.323 179.652 177.584 -0.424 0.000 1.170 407 A CA 2.189 53.903 52.037 -0.539 0.000 0.636 407 A CB -1.329 17.530 19.000 -0.234 0.000 0.810 407 A HN 0.561 nan 8.150 nan 0.000 0.448 408 T N 0.436 114.828 114.554 -0.270 0.000 2.737 408 T HA -0.090 4.260 4.350 0.000 0.000 0.265 408 T C 1.798 176.356 174.700 -0.238 0.000 1.038 408 T CA 1.359 63.322 62.100 -0.228 0.000 1.144 408 T CB -0.276 68.480 68.868 -0.188 0.000 0.866 408 T HN 0.306 nan 8.240 nan 0.000 0.434 409 I N 1.933 122.352 120.570 -0.251 0.000 2.163 409 I HA -0.143 4.027 4.170 0.000 0.000 0.243 409 I C 2.921 179.007 176.117 -0.053 0.000 1.085 409 I CA 1.228 62.404 61.300 -0.207 0.000 1.347 409 I CB -1.665 36.219 38.000 -0.194 0.000 1.044 409 I HN 0.200 nan 8.210 nan 0.000 0.408 410 A N 0.835 123.477 122.820 -0.296 0.000 1.877 410 A HA -0.111 4.209 4.320 0.000 0.000 0.216 410 A C 2.589 179.715 177.584 -0.763 0.000 1.186 410 A CA 2.091 53.726 52.037 -0.670 0.000 0.620 410 A CB -0.888 17.518 19.000 -0.989 0.000 0.822 410 A HN 0.410 nan 8.150 nan 0.000 0.443 411 A N -1.213 121.301 122.820 -0.511 0.000 1.908 411 A HA -0.204 4.116 4.320 0.000 0.000 0.218 411 A C 2.146 179.619 177.584 -0.186 0.000 1.181 411 A CA 1.718 53.541 52.037 -0.357 0.000 0.627 411 A CB -0.516 18.308 19.000 -0.293 0.000 0.818 411 A HN 0.513 nan 8.150 nan 0.000 0.445 412 Q N -0.617 119.126 119.800 -0.095 0.000 2.084 412 Q HA -0.143 4.197 4.340 0.000 0.000 0.202 412 Q C 2.272 178.414 176.000 0.238 0.000 0.978 412 Q CA 1.631 57.468 55.803 0.055 0.000 0.844 412 Q CB -0.925 27.959 28.738 0.242 0.000 0.898 412 Q HN 0.667 nan 8.270 nan 0.000 0.426 413 G N -0.117 108.903 108.800 0.366 0.000 2.446 413 G HA2 -0.319 3.642 3.960 0.000 0.000 0.217 413 G HA3 -0.319 3.642 3.960 0.000 0.000 0.217 413 G C 1.393 176.366 174.900 0.122 0.000 1.168 413 G CA 0.953 46.192 45.100 0.231 0.000 0.771 413 G HN 0.444 nan 8.290 nan 0.000 0.551 414 Y N 1.467 121.668 120.300 -0.166 0.000 2.128 414 Y HA -0.139 4.411 4.550 0.000 0.000 0.284 414 Y C 3.067 178.917 175.900 -0.084 0.000 1.154 414 Y CA 2.102 60.196 58.100 -0.009 0.000 1.149 414 Y CB -0.114 38.272 38.460 -0.123 0.000 0.976 414 Y HN 0.026 nan 8.280 nan 0.000 0.505 415 R N -0.771 119.726 120.500 -0.004 0.000 2.091 415 R HA -0.162 4.178 4.340 0.000 0.000 0.238 415 R C 1.250 177.335 176.300 -0.358 0.000 1.136 415 R CA 1.606 57.540 56.100 -0.277 0.000 0.959 415 R CB -0.571 29.371 30.300 -0.597 0.000 0.856 415 R HN 0.350 nan 8.270 nan 0.000 0.437 416 F N 0.437 120.393 119.950 0.011 0.000 2.645 416 F HA 0.229 4.756 4.527 0.000 0.000 0.300 416 F C 0.202 175.852 175.800 -0.250 0.000 1.115 416 F CA -0.615 57.337 58.000 -0.079 0.000 1.355 416 F CB -0.061 39.001 39.000 0.103 0.000 1.026 416 F HN -0.188 nan 8.300 nan 0.000 0.536 417 R N -0.441 120.000 120.500 -0.098 0.000 3.333 417 R HA -0.142 4.198 4.340 0.000 0.000 0.256 417 R C -1.298 174.893 176.300 -0.182 0.000 1.010 417 R CA 0.113 56.129 56.100 -0.141 0.000 0.680 417 R CB -2.572 27.635 30.300 -0.154 0.000 1.102 417 R HN 0.060 nan 8.270 nan 0.000 0.440 418 V N 0.779 120.555 119.914 -0.230 0.000 2.326 418 V HA 0.335 4.455 4.120 0.000 0.000 0.281 418 V C -1.889 173.976 176.094 -0.382 0.000 1.015 418 V CA -2.173 59.847 62.300 -0.466 0.000 0.823 418 V CB 2.080 33.297 31.823 -1.009 0.000 1.009 418 V HN 0.017 nan 8.190 nan 0.000 0.436 419 P HA 0.044 nan 4.420 nan 0.000 0.264 419 P C -1.236 175.926 177.300 -0.230 0.000 1.173 419 P CA 0.640 63.523 63.100 -0.362 0.000 0.761 419 P CB 0.073 31.534 31.700 -0.399 0.000 0.794 420 Y N 0.183 120.456 120.300 -0.046 0.000 2.615 420 Y HA 0.895 5.445 4.550 0.000 0.000 0.341 420 Y C -0.163 175.849 175.900 0.188 0.000 1.089 420 Y CA -1.422 56.756 58.100 0.130 0.000 1.049 420 Y CB 1.079 39.691 38.460 0.254 0.000 1.296 420 Y HN 0.566 nan 8.280 nan 0.000 0.470 421 G N -0.197 108.859 108.800 0.425 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 -1.960 173.152 174.900 0.354 0.000 1.450 421 G CA -1.045 44.252 45.100 0.327 0.000 0.837 421 G HN 0.681 nan 8.290 nan 0.000 0.505 422 T N 0.571 115.315 114.554 0.318 0.000 2.879 422 T HA 0.549 4.899 4.350 0.000 0.000 0.290 422 T C -1.307 173.510 174.700 0.195 0.000 0.993 422 T CA -0.324 61.943 62.100 0.278 0.000 0.975 422 T CB 1.537 70.627 68.868 0.370 0.000 0.981 422 T HN 0.620 nan 8.240 nan 0.000 0.439 423 L N 5.009 126.345 121.223 0.187 0.000 2.427 423 L HA 0.612 4.952 4.340 0.000 0.000 0.264 423 L C -1.442 175.602 176.870 0.290 0.000 0.989 423 L CA -0.423 54.527 54.840 0.184 0.000 0.865 423 L CB 0.585 42.731 42.059 0.145 0.000 1.209 423 L HN 0.589 nan 8.230 nan 0.000 0.430 424 L N 3.396 124.750 121.223 0.218 0.000 2.358 424 L HA 0.633 4.973 4.340 0.000 0.000 0.268 424 L C -0.404 176.549 176.870 0.139 0.000 1.032 424 L CA -0.765 54.216 54.840 0.235 0.000 0.805 424 L CB 1.836 43.988 42.059 0.155 0.000 1.253 424 L HN 0.626 nan 8.230 nan 0.000 0.452 425 C N 1.736 121.104 119.300 0.113 0.000 2.340 425 C HA 0.551 5.011 4.460 0.000 0.000 0.323 425 C C 0.169 175.118 174.990 -0.068 0.000 1.260 425 C CA -0.607 58.380 59.018 -0.052 0.000 1.464 425 C CB 0.770 28.441 27.740 -0.115 0.000 2.156 425 C HN 0.519 nan 8.230 nan 0.000 0.476 426 V N 7.220 127.046 119.914 -0.145 0.000 2.458 426 V HA 0.138 4.258 4.120 0.000 0.000 0.287 426 V C 1.326 177.284 176.094 -0.227 0.000 1.009 426 V CA 1.175 63.389 62.300 -0.144 0.000 1.091 426 V CB 0.870 32.611 31.823 -0.135 0.000 0.960 426 V HN 1.070 nan 8.190 nan 0.000 0.476 427 S N 1.823 117.373 115.700 -0.250 0.000 2.523 427 S HA 0.200 4.670 4.470 0.000 0.000 0.217 427 S C 0.221 174.705 174.600 -0.194 0.000 0.996 427 S CA -0.036 57.946 58.200 -0.363 0.000 0.921 427 S CB 0.121 62.948 63.200 -0.621 0.000 0.829 427 S HN 0.903 nan 8.310 nan 0.000 0.495 428 D N 0.047 120.383 120.400 -0.106 0.000 2.694 428 D HA 0.248 4.888 4.640 0.000 0.000 0.260 428 D C -1.737 174.564 176.300 0.001 0.000 1.250 428 D CA -0.648 53.323 54.000 -0.050 0.000 0.763 428 D CB 0.939 41.721 40.800 -0.029 0.000 1.311 428 D HN 0.037 nan 8.370 nan 0.000 0.420 429 K N 0.852 121.268 120.400 0.026 0.000 2.687 429 K HA 0.320 4.640 4.320 0.000 0.000 0.197 429 K C -2.149 174.506 176.600 0.091 0.000 1.049 429 K CA -1.587 54.756 56.287 0.093 0.000 1.030 429 K CB 2.184 34.745 32.500 0.103 0.000 1.261 429 K HN 0.053 nan 8.250 nan 0.000 0.565 430 P HA -0.200 nan 4.420 nan 0.000 0.217 430 P C 0.818 178.069 177.300 -0.082 0.000 1.151 430 P CA 0.959 64.064 63.100 0.008 0.000 0.849 430 P CB 0.287 32.067 31.700 0.133 0.000 0.787 431 L N -2.804 118.373 121.223 -0.078 0.000 2.492 431 L HA -0.005 4.335 4.340 0.000 0.000 0.223 431 L C 0.724 177.244 176.870 -0.584 0.000 1.132 431 L CA 1.438 56.048 54.840 -0.383 0.000 0.850 431 L CB -1.418 40.370 42.059 -0.451 0.000 0.966 431 L HN 0.111 nan 8.230 nan 0.000 0.454 432 H N -1.429 117.619 119.070 -0.036 0.000 2.587 432 H HA 0.508 5.064 4.556 0.000 0.000 0.245 432 H C 0.970 176.277 175.328 -0.035 0.000 1.238 432 H CA -0.276 55.754 56.048 -0.030 0.000 0.963 432 H CB 0.052 29.803 29.762 -0.019 0.000 1.904 432 H HN 0.061 nan 8.280 nan 0.000 0.584 433 G N 1.793 110.597 108.800 0.007 0.000 2.290 433 G HA2 -0.303 3.657 3.960 0.000 0.000 0.270 433 G HA3 -0.303 3.657 3.960 0.000 0.000 0.270 433 G C 0.144 175.050 174.900 0.008 0.000 0.891 433 G CA 0.582 45.680 45.100 -0.004 0.000 1.321 433 G HN 0.699 nan 8.290 nan 0.000 0.425 434 E N -0.463 119.738 120.200 0.002 0.000 3.601 434 E HA 0.099 4.449 4.350 0.000 0.000 0.142 434 E C 0.205 176.794 176.600 -0.019 0.000 0.966 434 E CA -0.730 55.665 56.400 -0.008 0.000 1.527 434 E CB 0.236 29.934 29.700 -0.002 0.000 1.089 434 E HN 0.436 nan 8.360 nan 0.000 0.383 435 I N 1.552 122.106 120.570 -0.028 0.000 2.823 435 I HA 0.052 4.222 4.170 0.000 0.000 0.290 435 I C 1.136 177.231 176.117 -0.038 0.000 1.091 435 I CA 0.003 61.281 61.300 -0.037 0.000 1.365 435 I CB 0.319 38.284 38.000 -0.059 0.000 1.427 435 I HN -0.068 nan 8.210 nan 0.000 0.583 448 A N 0.622 123.456 122.820 0.025 0.000 2.178 448 A HA 0.201 4.521 4.320 0.000 0.000 0.218 448 A C 1.713 179.366 177.584 0.114 0.000 1.157 448 A CA 1.063 53.141 52.037 0.068 0.000 0.689 448 A CB -0.432 18.583 19.000 0.026 0.000 0.787 448 A HN 0.529 nan 8.150 nan 0.000 0.465 449 I N -0.563 120.030 120.570 0.038 0.000 3.616 449 I HA 0.071 4.241 4.170 0.000 0.000 0.306 449 I C 1.561 177.605 176.117 -0.121 0.000 1.232 449 I CA 0.980 62.225 61.300 -0.091 0.000 1.182 449 I CB -0.569 37.355 38.000 -0.127 0.000 1.007 449 I HN 0.189 nan 8.210 nan 0.000 0.479 450 S N -0.376 115.325 115.700 0.002 0.000 3.084 450 S HA 0.044 4.514 4.470 0.000 0.000 0.262 450 S C 1.830 176.458 174.600 0.046 0.000 1.081 450 S CA 0.000 58.200 58.200 -0.000 0.000 0.855 450 S CB -0.080 63.120 63.200 0.000 0.000 0.857 450 S HN 0.476 nan 8.310 nan 0.000 0.449 451 E N 0.772 121.031 120.200 0.099 0.000 2.051 451 E HA -0.252 4.098 4.350 0.000 0.000 0.192 451 E C 1.758 178.464 176.600 0.177 0.000 0.991 451 E CA 1.480 57.954 56.400 0.124 0.000 0.799 451 E CB -0.461 29.340 29.700 0.169 0.000 0.748 451 E HN 0.755 nan 8.360 nan 0.000 0.449 452 H N -0.320 118.857 119.070 0.179 0.000 2.290 452 H HA -0.182 4.374 4.556 0.000 0.000 0.298 452 H C 2.363 177.759 175.328 0.113 0.000 1.087 452 H CA 1.357 57.519 56.048 0.191 0.000 1.291 452 H CB 0.010 30.052 29.762 0.468 0.000 1.369 452 H HN 0.248 nan 8.280 nan 0.000 0.492 453 L N 1.151 122.497 121.223 0.205 0.000 2.079 453 L HA -0.209 4.131 4.340 0.000 0.000 0.210 453 L C 2.286 179.095 176.870 -0.101 0.000 1.081 453 L CA 1.502 56.363 54.840 0.035 0.000 0.752 453 L CB -0.680 41.428 42.059 0.081 0.000 0.896 453 L HN 0.345 nan 8.230 nan 0.000 0.433 454 Q N -0.311 119.428 119.800 -0.101 0.000 2.124 454 Q HA -0.144 4.196 4.340 0.000 0.000 0.202 454 Q C 2.352 178.281 176.000 -0.118 0.000 0.977 454 Q CA 2.016 57.717 55.803 -0.169 0.000 0.850 454 Q CB -0.317 28.356 28.738 -0.109 0.000 0.901 454 Q HN 0.625 nan 8.270 nan 0.000 0.429 455 I N -0.172 120.353 120.570 -0.075 0.000 2.179 455 I HA -0.224 3.946 4.170 0.000 0.000 0.242 455 I C 2.293 178.367 176.117 -0.071 0.000 1.088 455 I CA 1.247 62.495 61.300 -0.088 0.000 1.357 455 I CB -0.748 37.164 38.000 -0.147 0.000 1.051 455 I HN 0.215 nan 8.210 nan 0.000 0.409 456 G N 1.448 110.203 108.800 -0.074 0.000 2.459 456 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 456 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 456 G C 1.691 176.550 174.900 -0.068 0.000 1.183 456 G CA 0.799 45.855 45.100 -0.073 0.000 0.776 456 G HN 0.324 nan 8.290 nan 0.000 0.552 457 I N 0.196 120.692 120.570 -0.124 0.000 2.226 457 I HA -0.144 4.026 4.170 0.000 0.000 0.245 457 I C 2.817 178.897 176.117 -0.061 0.000 1.100 457 I CA 1.276 62.498 61.300 -0.131 0.000 1.374 457 I CB -0.186 37.599 38.000 -0.359 0.000 1.057 457 I HN 0.081 nan 8.210 nan 0.000 0.413 458 R N 1.666 122.128 120.500 -0.063 0.000 2.096 458 R HA -0.104 4.236 4.340 0.000 0.000 0.235 458 R C 2.176 178.470 176.300 -0.010 0.000 1.127 458 R CA 1.763 57.849 56.100 -0.024 0.000 0.968 458 R CB -0.695 29.588 30.300 -0.029 0.000 0.861 458 R HN 0.357 nan 8.270 nan 0.000 0.440 459 A N 0.818 123.632 122.820 -0.009 0.000 1.902 459 A HA -0.101 4.219 4.320 0.000 0.000 0.217 459 A C 2.094 179.697 177.584 0.030 0.000 1.181 459 A CA 1.497 53.544 52.037 0.017 0.000 0.623 459 A CB -0.518 18.498 19.000 0.027 0.000 0.818 459 A HN 0.291 nan 8.150 nan 0.000 0.443 460 I N 0.493 121.076 120.570 0.022 0.000 2.163 460 I HA -0.231 3.939 4.170 0.000 0.000 0.243 460 I C 1.926 177.979 176.117 -0.107 0.000 1.085 460 I CA 1.810 63.115 61.300 0.008 0.000 1.347 460 I CB -1.520 36.485 38.000 0.009 0.000 1.044 460 I HN 0.291 nan 8.210 nan 0.000 0.408 461 D N 1.030 121.388 120.400 -0.069 0.000 2.104 461 D HA -0.168 4.472 4.640 0.000 0.000 0.194 461 D C 2.436 178.706 176.300 -0.050 0.000 0.994 461 D CA 1.114 55.071 54.000 -0.071 0.000 0.830 461 D CB -0.398 40.401 40.800 -0.003 0.000 0.959 461 D HN 0.277 nan 8.370 nan 0.000 0.452 462 L N 0.172 121.390 121.223 -0.010 0.000 2.042 462 L HA -0.171 4.169 4.340 0.000 0.000 0.210 462 L C 2.577 179.466 176.870 0.031 0.000 1.076 462 L CA 0.788 55.636 54.840 0.014 0.000 0.749 462 L CB -0.370 41.705 42.059 0.028 0.000 0.893 462 L HN 0.062 nan 8.230 nan 0.000 0.432 463 L N -0.834 120.419 121.223 0.050 0.000 2.156 463 L HA -0.156 4.184 4.340 0.000 0.000 0.208 463 L C 2.803 179.765 176.870 0.153 0.000 1.095 463 L CA 0.831 55.744 54.840 0.122 0.000 0.770 463 L CB -0.450 41.727 42.059 0.196 0.000 0.914 463 L HN 0.254 nan 8.230 nan 0.000 0.439 464 R N 0.473 120.963 120.500 -0.017 0.000 2.075 464 R HA -0.131 4.209 4.340 0.000 0.000 0.232 464 R C 2.277 178.594 176.300 0.028 0.000 1.126 464 R CA 1.338 57.385 56.100 -0.088 0.000 0.963 464 R CB -0.126 29.873 30.300 -0.501 0.000 0.858 464 R HN 0.313 nan 8.270 nan 0.000 0.435 465 A N 0.632 123.454 122.820 0.003 0.000 1.968 465 A HA -0.150 4.170 4.320 0.000 0.000 0.217 465 A C 1.859 179.473 177.584 0.050 0.000 1.169 465 A CA 1.380 53.429 52.037 0.021 0.000 0.638 465 A CB -0.367 18.637 19.000 0.007 0.000 0.812 465 A HN 0.436 nan 8.150 nan 0.000 0.446 466 E N -0.522 119.718 120.200 0.067 0.000 2.233 466 E HA 0.030 4.380 4.350 0.000 0.000 0.199 466 E C 1.370 178.024 176.600 0.090 0.000 1.004 466 E CA 1.301 57.748 56.400 0.078 0.000 0.819 466 E CB -0.460 29.297 29.700 0.096 0.000 0.738 466 E HN 0.804 nan 8.360 nan 0.000 0.478 467 G N -0.139 108.729 108.800 0.113 0.000 2.557 467 G HA2 -0.391 3.569 3.960 0.000 0.000 0.292 467 G HA3 -0.391 3.569 3.960 0.000 0.000 0.292 467 G C 0.718 175.700 174.900 0.137 0.000 1.162 467 G CA 0.307 45.475 45.100 0.113 0.000 0.964 467 G HN 0.359 nan 8.290 nan 0.000 0.541 468 D N 0.758 121.224 120.400 0.111 0.000 2.346 468 D HA 0.087 4.727 4.640 0.000 0.000 0.206 468 D C 2.567 178.951 176.300 0.141 0.000 1.001 468 D CA 0.322 54.402 54.000 0.134 0.000 0.871 468 D CB 0.050 40.901 40.800 0.085 0.000 0.943 468 D HN 0.259 nan 8.370 nan 0.000 0.518 469 R N 0.845 121.406 120.500 0.101 0.000 2.249 469 R HA -0.108 4.232 4.340 0.000 0.000 0.230 469 R C 1.990 178.354 176.300 0.106 0.000 1.121 469 R CA 0.183 56.331 56.100 0.080 0.000 0.997 469 R CB -0.595 29.739 30.300 0.057 0.000 0.867 469 R HN 0.165 nan 8.270 nan 0.000 0.465 470 L N -0.225 121.096 121.223 0.163 0.000 1.989 470 L HA -0.114 4.226 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 1.787 56.728 54.840 0.167 0.000 0.749 470 L CB -0.427 41.789 42.059 0.262 0.000 0.890 470 L HN 0.153 nan 8.230 nan 0.000 0.431 471 H N -0.413 118.707 119.070 0.083 0.000 2.620 471 H HA 0.502 5.058 4.556 0.000 0.000 0.313 471 H C 0.434 175.796 175.328 0.056 0.000 1.075 471 H CA 0.098 56.204 56.048 0.097 0.000 1.397 471 H CB 0.722 30.642 29.762 0.263 0.000 1.446 471 H HN 0.417 nan 8.280 nan 0.000 0.493 472 S N 2.164 117.916 115.700 0.087 0.000 2.841 472 S HA 0.471 4.941 4.470 0.000 0.000 0.318 472 S C 0.748 175.360 174.600 0.020 0.000 1.127 472 S CA -1.085 57.134 58.200 0.031 0.000 0.883 472 S CB 1.868 65.064 63.200 -0.007 0.000 1.271 472 S HN 0.642 nan 8.310 nan 0.000 0.567 473 R N 0.195 120.688 120.500 -0.011 0.000 2.317 473 R HA 0.251 4.591 4.340 0.000 0.000 0.208 473 R C 1.432 177.710 176.300 -0.037 0.000 0.914 473 R CA -0.021 56.063 56.100 -0.026 0.000 1.060 473 R CB -0.124 30.148 30.300 -0.046 0.000 1.015 473 R HN 0.592 nan 8.270 nan 0.000 0.498 474 K N 0.626 121.009 120.400 -0.029 0.000 2.281 474 K HA -0.100 4.220 4.320 0.000 0.000 0.203 474 K C 1.267 177.844 176.600 -0.039 0.000 1.046 474 K CA 1.010 57.287 56.287 -0.017 0.000 0.938 474 K CB 0.086 32.586 32.500 -0.001 0.000 0.737 474 K HN 0.238 nan 8.250 nan 0.000 0.458 475 L N 0.147 121.325 121.223 -0.075 0.000 2.693 475 L HA 0.132 4.472 4.340 0.000 0.000 0.235 475 L C 0.436 177.219 176.870 -0.144 0.000 1.127 475 L CA -0.277 54.468 54.840 -0.159 0.000 0.914 475 L CB 0.113 42.092 42.059 -0.134 0.000 1.193 475 L HN 0.002 nan 8.230 nan 0.000 0.502 476 R N 0.509 120.961 120.500 -0.080 0.000 2.537 476 R HA 0.169 4.509 4.340 0.000 0.000 0.280 476 R C 0.196 176.451 176.300 -0.075 0.000 1.058 476 R CA 0.224 56.290 56.100 -0.057 0.000 1.057 476 R CB 0.816 31.080 30.300 -0.061 0.000 0.973 476 R HN -0.085 nan 8.270 nan 0.000 0.438 477 T N 1.384 115.928 114.554 -0.017 0.000 2.897 477 T HA 0.200 4.550 4.350 0.000 0.000 0.278 477 T C 0.987 175.725 174.700 0.064 0.000 0.981 477 T CA -0.551 61.588 62.100 0.066 0.000 0.973 477 T CB 0.454 69.384 68.868 0.103 0.000 1.092 477 T HN 0.350 nan 8.240 nan 0.000 0.543 478 F N 1.299 121.268 119.950 0.033 0.000 2.186 478 F HA 0.013 4.540 4.527 0.000 0.000 0.299 478 F C 1.965 177.810 175.800 0.074 0.000 1.090 478 F CA 0.964 58.995 58.000 0.052 0.000 1.307 478 F CB -0.428 38.605 39.000 0.054 0.000 1.019 478 F HN 0.558 nan 8.300 nan 0.000 0.489 479 N N -0.290 118.569 118.700 0.266 0.000 2.378 479 N HA 0.047 4.787 4.740 0.000 0.000 0.243 479 N C -0.262 175.317 175.510 0.115 0.000 1.137 479 N CA -0.165 53.004 53.050 0.198 0.000 0.862 479 N CB -0.423 38.166 38.487 0.171 0.000 1.116 479 N HN -0.025 nan 8.380 nan 0.000 0.499 480 E N 1.724 121.967 120.200 0.072 0.000 2.558 480 E HA 0.082 4.432 4.350 0.000 0.000 0.255 480 E C -2.169 174.383 176.600 -0.079 0.000 0.968 480 E CA -1.405 54.998 56.400 0.007 0.000 0.939 480 E CB 0.302 30.000 29.700 -0.002 0.000 0.921 480 E HN 0.296 nan 8.360 nan 0.000 0.477 481 P HA 0.076 nan 4.420 nan 0.000 0.272 481 P C -2.210 174.896 177.300 -0.322 0.000 1.223 481 P CA -1.050 61.880 63.100 -0.284 0.000 0.784 481 P CB 0.542 31.955 31.700 -0.478 0.000 0.923 482 P HA -0.105 nan 4.420 nan 0.000 0.215 482 P C 0.136 177.365 177.300 -0.120 0.000 1.153 482 P CA 1.227 64.013 63.100 -0.524 0.000 0.853 482 P CB -0.088 31.061 31.700 -0.919 0.000 0.788 483 F N 0.211 119.975 119.950 -0.310 0.000 2.484 483 F HA 0.153 4.680 4.527 0.000 0.000 0.360 483 F C 1.667 177.442 175.800 -0.042 0.000 1.101 483 F CA -1.307 56.575 58.000 -0.196 0.000 1.251 483 F CB -0.670 38.254 39.000 -0.126 0.000 1.132 483 F HN -0.178 nan 8.300 nan 0.000 0.570 484 R N 0.000 120.557 120.500 0.094 0.000 2.786 484 R HA 0.000 4.340 4.340 0.000 0.000 0.208 484 R CA 0.000 56.120 56.100 0.034 0.000 0.921 484 R CB 0.000 29.960 30.300 -0.567 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535