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_A 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 0.000 176.825 176.870 -0.076 0.000 1.165 8 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 8 L CB 0.000 42.023 42.059 -0.060 0.000 0.961 9 T N 0.384 114.842 114.554 -0.160 0.000 2.912 9 T HA 0.546 4.896 4.350 0.000 0.000 0.280 9 T C -2.250 172.232 174.700 -0.363 0.000 0.989 9 T CA -1.690 60.147 62.100 -0.439 0.000 0.995 9 T CB 1.676 70.360 68.868 -0.308 0.000 1.077 9 T HN 0.365 nan 8.240 nan 0.000 0.531 10 P HA -0.102 nan 4.420 nan 0.000 0.213 10 P C 1.753 178.967 177.300 -0.143 0.000 1.170 10 P CA 1.947 64.897 63.100 -0.250 0.000 0.902 10 P CB -0.379 31.180 31.700 -0.235 0.000 0.789 11 A N -0.656 122.089 122.820 -0.125 0.000 1.940 11 A HA -0.292 4.028 4.320 0.000 0.000 0.219 11 A C 2.251 179.804 177.584 -0.052 0.000 1.176 11 A CA 1.840 53.836 52.037 -0.068 0.000 0.631 11 A CB -1.397 17.573 19.000 -0.050 0.000 0.814 11 A HN 0.229 nan 8.150 nan 0.000 0.446 12 Q N -0.812 118.948 119.800 -0.066 0.000 2.079 12 Q HA -0.062 4.278 4.340 0.000 0.000 0.200 12 Q C 2.469 178.450 176.000 -0.032 0.000 0.974 12 Q CA 1.292 57.071 55.803 -0.040 0.000 0.840 12 Q CB -0.379 28.334 28.738 -0.042 0.000 0.898 12 Q HN 0.689 nan 8.270 nan 0.000 0.430 13 A N 0.944 123.732 122.820 -0.053 0.000 1.902 13 A HA -0.177 4.143 4.320 0.000 0.000 0.217 13 A C 2.075 179.656 177.584 -0.005 0.000 1.181 13 A CA 1.162 53.181 52.037 -0.031 0.000 0.623 13 A CB -0.745 18.228 19.000 -0.045 0.000 0.818 13 A HN 0.289 nan 8.150 nan 0.000 0.443 14 L N -0.484 120.732 121.223 -0.012 0.000 2.046 14 L HA -0.212 4.128 4.340 0.000 0.000 0.208 14 L C 2.150 179.034 176.870 0.024 0.000 1.077 14 L CA 1.563 56.408 54.840 0.008 0.000 0.747 14 L CB -0.722 41.336 42.059 -0.003 0.000 0.896 14 L HN 0.332 nan 8.230 nan 0.000 0.432 15 D N -0.026 120.383 120.400 0.015 0.000 2.117 15 D HA -0.199 4.441 4.640 0.000 0.000 0.197 15 D C 2.122 178.445 176.300 0.039 0.000 0.987 15 D CA 1.195 55.211 54.000 0.026 0.000 0.829 15 D CB -0.024 40.786 40.800 0.016 0.000 0.961 15 D HN 0.239 nan 8.370 nan 0.000 0.460 16 K N 0.364 120.784 120.400 0.033 0.000 2.155 16 K HA -0.018 4.302 4.320 0.000 0.000 0.203 16 K C 2.277 178.917 176.600 0.067 0.000 1.052 16 K CA 0.333 56.646 56.287 0.044 0.000 0.948 16 K CB 0.010 32.529 32.500 0.032 0.000 0.728 16 K HN 0.067 nan 8.250 nan 0.000 0.448 17 L N 0.873 122.137 121.223 0.067 0.000 2.017 17 L HA -0.223 4.117 4.340 0.000 0.000 0.208 17 L C 2.167 179.120 176.870 0.139 0.000 1.073 17 L CA 1.263 56.159 54.840 0.093 0.000 0.745 17 L CB -0.470 41.628 42.059 0.066 0.000 0.894 17 L HN 0.269 nan 8.230 nan 0.000 0.432 18 D N 0.009 120.480 120.400 0.117 0.000 2.104 18 D HA -0.191 4.449 4.640 0.000 0.000 0.194 18 D C 2.125 178.520 176.300 0.159 0.000 0.994 18 D CA 1.612 55.703 54.000 0.151 0.000 0.830 18 D CB 0.146 41.007 40.800 0.101 0.000 0.959 18 D HN 0.337 nan 8.370 nan 0.000 0.452 19 A N 1.083 123.969 122.820 0.109 0.000 1.835 19 A HA -0.158 4.162 4.320 0.000 0.000 0.215 19 A C 2.505 180.148 177.584 0.099 0.000 1.199 19 A CA 1.082 53.170 52.037 0.086 0.000 0.615 19 A CB -1.021 18.016 19.000 0.062 0.000 0.838 19 A HN 0.212 nan 8.150 nan 0.000 0.444 20 L N -2.087 119.203 121.223 0.113 0.000 2.043 20 L HA -0.242 4.098 4.340 0.000 0.000 0.212 20 L C 2.640 179.606 176.870 0.160 0.000 1.075 20 L CA 2.036 56.948 54.840 0.120 0.000 0.752 20 L CB -0.647 41.486 42.059 0.125 0.000 0.891 20 L HN 0.625 nan 8.230 nan 0.000 0.432 21 Y N 0.928 121.273 120.300 0.075 0.000 2.114 21 Y HA -0.248 4.302 4.550 0.000 0.000 0.284 21 Y C 2.673 178.609 175.900 0.059 0.000 1.143 21 Y CA 1.587 59.737 58.100 0.083 0.000 1.135 21 Y CB -0.168 38.356 38.460 0.106 0.000 0.980 21 Y HN 0.097 nan 8.280 nan 0.000 0.499 22 E N 0.409 120.618 120.200 0.015 0.000 2.097 22 E HA -0.315 4.035 4.350 0.000 0.000 0.196 22 E C 2.196 178.741 176.600 -0.093 0.000 1.000 22 E CA 1.665 58.016 56.400 -0.082 0.000 0.804 22 E CB -0.491 29.226 29.700 0.028 0.000 0.740 22 E HN 0.680 nan 8.360 nan 0.000 0.454 23 Q N 0.263 120.047 119.800 -0.026 0.000 2.050 23 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 23 Q C 2.260 178.252 176.000 -0.012 0.000 0.980 23 Q CA 1.800 57.599 55.803 -0.007 0.000 0.840 23 Q CB 0.060 28.811 28.738 0.022 0.000 0.898 23 Q HN 0.094 nan 8.270 nan 0.000 0.424 24 S N -0.147 115.538 115.700 -0.025 0.000 2.368 24 S HA -0.133 4.337 4.470 0.000 0.000 0.224 24 S C 1.855 176.426 174.600 -0.048 0.000 1.029 24 S CA 1.105 59.314 58.200 0.014 0.000 0.988 24 S CB -0.327 62.880 63.200 0.013 0.000 0.838 24 S HN 0.437 nan 8.310 nan 0.000 0.462 25 V N 1.690 121.466 119.914 -0.230 0.000 2.358 25 V HA -0.107 4.013 4.120 0.000 0.000 0.246 25 V C 2.009 178.020 176.094 -0.140 0.000 1.047 25 V CA 1.686 63.833 62.300 -0.255 0.000 1.035 25 V CB -0.444 31.117 31.823 -0.436 0.000 0.658 25 V HN 0.366 nan 8.190 nan 0.000 0.452 26 V N 0.750 120.603 119.914 -0.101 0.000 2.358 26 V HA -0.167 3.953 4.120 0.000 0.000 0.246 26 V C 2.914 179.010 176.094 0.003 0.000 1.047 26 V CA 2.075 64.346 62.300 -0.048 0.000 1.035 26 V CB -1.233 30.571 31.823 -0.031 0.000 0.658 26 V HN 0.669 nan 8.190 nan 0.000 0.452 27 A N -0.715 122.141 122.820 0.059 0.000 1.933 27 A HA -0.160 4.160 4.320 0.000 0.000 0.218 27 A C 2.270 180.013 177.584 0.266 0.000 1.175 27 A CA 1.798 53.943 52.037 0.180 0.000 0.628 27 A CB -0.456 18.682 19.000 0.230 0.000 0.814 27 A HN 0.478 nan 8.150 nan 0.000 0.444 28 L N -1.178 120.085 121.223 0.066 0.000 2.044 28 L HA -0.122 4.218 4.340 0.000 0.000 0.205 28 L C 2.842 179.546 176.870 -0.276 0.000 1.075 28 L CA 1.193 55.803 54.840 -0.384 0.000 0.747 28 L CB -0.320 41.444 42.059 -0.492 0.000 0.903 28 L HN 0.375 nan 8.230 nan 0.000 0.435 29 R N -0.368 120.031 120.500 -0.168 0.000 2.105 29 R HA -0.202 4.138 4.340 0.000 0.000 0.239 29 R C 2.130 178.371 176.300 -0.098 0.000 1.135 29 R CA 1.528 57.541 56.100 -0.144 0.000 0.967 29 R CB -0.412 29.829 30.300 -0.097 0.000 0.861 29 R HN 0.471 nan 8.270 nan 0.000 0.442 30 N N 0.678 119.359 118.700 -0.032 0.000 2.039 30 N HA -0.153 4.587 4.740 0.000 0.000 0.193 30 N C 1.696 177.232 175.510 0.044 0.000 1.044 30 N CA 1.678 54.737 53.050 0.016 0.000 0.847 30 N CB -0.083 38.437 38.487 0.054 0.000 1.030 30 N HN 0.193 nan 8.380 nan 0.000 0.422 31 A N 1.405 124.289 122.820 0.106 0.000 1.948 31 A HA -0.121 4.199 4.320 0.000 0.000 0.220 31 A C 2.379 180.047 177.584 0.140 0.000 1.177 31 A CA 1.070 53.244 52.037 0.229 0.000 0.636 31 A CB -0.659 18.636 19.000 0.491 0.000 0.815 31 A HN 0.390 nan 8.150 nan 0.000 0.449 32 I N -0.619 119.834 120.570 -0.196 0.000 2.252 32 I HA -0.176 3.994 4.170 0.000 0.000 0.245 32 I C 2.715 178.772 176.117 -0.100 0.000 1.102 32 I CA 1.063 62.120 61.300 -0.405 0.000 1.385 32 I CB -0.671 36.991 38.000 -0.564 0.000 1.064 32 I HN 0.401 nan 8.210 nan 0.000 0.414 33 G N 0.866 109.629 108.800 -0.063 0.000 2.421 33 G HA2 -0.264 3.696 3.960 0.000 0.000 0.216 33 G HA3 -0.264 3.696 3.960 0.000 0.000 0.216 33 G C 1.363 176.276 174.900 0.023 0.000 1.171 33 G CA 0.915 46.002 45.100 -0.022 0.000 0.775 33 G HN 0.309 nan 8.290 nan 0.000 0.543 34 N N -0.413 118.325 118.700 0.062 0.000 2.104 34 N HA -0.149 4.591 4.740 0.000 0.000 0.190 34 N C 1.754 177.325 175.510 0.101 0.000 1.024 34 N CA 1.242 54.339 53.050 0.078 0.000 0.853 34 N CB -0.510 38.042 38.487 0.109 0.000 1.008 34 N HN 0.477 nan 8.380 nan 0.000 0.424 35 Y N 1.198 121.544 120.300 0.076 0.000 2.163 35 Y HA -0.033 4.517 4.550 0.000 0.000 0.288 35 Y C 1.999 177.922 175.900 0.039 0.000 1.136 35 Y CA 1.315 59.473 58.100 0.097 0.000 1.147 35 Y CB -0.357 38.268 38.460 0.275 0.000 0.987 35 Y HN 0.009 nan 8.280 nan 0.000 0.509 36 I N -0.194 120.395 120.570 0.032 0.000 2.208 36 I HA -0.346 3.824 4.170 0.000 0.000 0.245 36 I C 2.432 178.480 176.117 -0.115 0.000 1.097 36 I CA 2.062 63.325 61.300 -0.061 0.000 1.363 36 I CB -0.718 37.277 38.000 -0.009 0.000 1.051 36 I HN 0.435 nan 8.210 nan 0.000 0.413 37 T N -2.624 111.883 114.554 -0.080 0.000 2.901 37 T HA -0.024 4.326 4.350 0.000 0.000 0.252 37 T C 1.537 176.182 174.700 -0.093 0.000 1.035 37 T CA 0.948 63.004 62.100 -0.072 0.000 1.142 37 T CB -0.317 68.527 68.868 -0.041 0.000 0.869 37 T HN 0.360 nan 8.240 nan 0.000 0.442 38 S N -0.056 115.585 115.700 -0.097 0.000 2.663 38 S HA 0.534 5.004 4.470 0.000 0.000 0.243 38 S C 1.605 176.117 174.600 -0.147 0.000 1.009 38 S CA 0.117 58.258 58.200 -0.097 0.000 0.988 38 S CB -0.129 63.040 63.200 -0.052 0.000 0.896 38 S HN 1.149 nan 8.310 nan 0.000 0.502 39 G N 1.811 110.438 108.800 -0.288 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 -0.139 174.666 174.900 -0.158 0.000 1.008 39 G CA 0.713 45.548 45.100 -0.441 0.000 0.774 39 G HN 0.793 nan 8.290 nan 0.000 0.511 40 E N -0.405 119.777 120.200 -0.029 0.000 2.313 40 E HA 0.491 4.841 4.350 0.000 0.000 0.276 40 E C 0.033 176.719 176.600 0.142 0.000 1.031 40 E CA -0.830 55.594 56.400 0.041 0.000 0.857 40 E CB 0.323 30.044 29.700 0.035 0.000 1.040 40 E HN 0.126 nan 8.360 nan 0.000 0.408 41 L N 5.315 126.543 121.223 0.008 0.000 2.334 41 L HA 0.477 4.817 4.340 0.000 0.000 0.270 41 L C -2.036 174.807 176.870 -0.045 0.000 1.018 41 L CA -1.915 52.867 54.840 -0.098 0.000 0.811 41 L CB 0.747 42.614 42.059 -0.321 0.000 1.271 41 L HN 0.602 nan 8.230 nan 0.000 0.443 42 P HA 0.198 nan 4.420 nan 0.000 0.274 42 P C -1.440 175.836 177.300 -0.040 0.000 1.246 42 P CA -0.552 62.567 63.100 0.032 0.000 0.795 42 P CB 0.365 32.163 31.700 0.164 0.000 1.006 43 D N 1.182 121.553 120.400 -0.049 0.000 2.225 43 D HA 0.025 4.665 4.640 0.000 0.000 0.248 43 D C 0.540 176.795 176.300 -0.076 0.000 1.096 43 D CA -0.392 53.573 54.000 -0.059 0.000 0.863 43 D CB 1.193 41.964 40.800 -0.050 0.000 1.156 43 D HN 0.222 nan 8.370 nan 0.000 0.450 44 E N 2.543 122.709 120.200 -0.058 0.000 2.147 44 E HA -0.268 4.082 4.350 0.000 0.000 0.199 44 E C 1.397 177.959 176.600 -0.063 0.000 1.005 44 E CA 1.248 57.616 56.400 -0.053 0.000 0.810 44 E CB -0.252 29.429 29.700 -0.031 0.000 0.736 44 E HN 0.650 nan 8.360 nan 0.000 0.460 45 N N 0.665 119.330 118.700 -0.058 0.000 2.084 45 N HA -0.135 4.605 4.740 0.000 0.000 0.190 45 N C 1.699 177.162 175.510 -0.079 0.000 1.030 45 N CA 1.859 54.876 53.050 -0.056 0.000 0.849 45 N CB -0.200 38.261 38.487 -0.043 0.000 1.012 45 N HN 0.137 nan 8.380 nan 0.000 0.423 46 A N 0.782 123.539 122.820 -0.104 0.000 1.883 46 A HA -0.144 4.176 4.320 0.000 0.000 0.217 46 A C 2.223 179.685 177.584 -0.205 0.000 1.186 46 A CA 1.443 53.395 52.037 -0.142 0.000 0.624 46 A CB -0.601 18.302 19.000 -0.162 0.000 0.822 46 A HN 0.376 nan 8.150 nan 0.000 0.444 47 R N -0.471 119.872 120.500 -0.261 0.000 2.083 47 R HA -0.142 4.198 4.340 0.000 0.000 0.237 47 R C 2.247 178.463 176.300 -0.140 0.000 1.137 47 R CA 1.641 57.564 56.100 -0.296 0.000 0.951 47 R CB -0.355 29.807 30.300 -0.230 0.000 0.851 47 R HN 0.547 nan 8.270 nan 0.000 0.434 48 K N 0.671 121.016 120.400 -0.091 0.000 2.585 48 K HA -0.174 4.146 4.320 0.000 0.000 0.194 48 K C 1.328 177.899 176.600 -0.048 0.000 1.037 48 K CA 1.010 57.267 56.287 -0.051 0.000 0.964 48 K CB 0.222 32.700 32.500 -0.037 0.000 0.787 48 K HN -0.026 nan 8.250 nan 0.000 0.488 49 Q N -0.760 118.999 119.800 -0.068 0.000 2.219 49 Q HA 0.165 4.505 4.340 0.000 0.000 0.209 49 Q C 0.137 176.110 176.000 -0.045 0.000 0.854 49 Q CA 0.618 56.391 55.803 -0.050 0.000 0.960 49 Q CB 1.144 29.850 28.738 -0.053 0.000 1.116 49 Q HN 0.416 nan 8.270 nan 0.000 0.500 50 G N 0.356 109.122 108.800 -0.057 0.000 2.141 50 G HA2 -0.256 3.704 3.960 0.000 0.000 0.195 50 G HA3 -0.256 3.704 3.960 0.000 0.000 0.195 50 G C 0.376 175.243 174.900 -0.054 0.000 1.012 50 G CA 0.324 45.407 45.100 -0.028 0.000 0.696 50 G HN 0.330 nan 8.290 nan 0.000 0.508 51 L N -0.425 120.694 121.223 -0.173 0.000 2.017 51 L HA 0.342 4.682 4.340 0.000 0.000 0.208 51 L C 2.042 178.863 176.870 -0.081 0.000 1.073 51 L CA 2.256 56.938 54.840 -0.265 0.000 0.745 51 L CB -0.362 41.319 42.059 -0.630 0.000 0.894 51 L HN 0.389 nan 8.230 nan 0.000 0.432 52 F N -1.692 118.266 119.950 0.013 0.000 2.639 52 F HA 0.256 4.783 4.527 0.000 0.000 0.302 52 F C 0.576 176.353 175.800 -0.039 0.000 1.097 52 F CA -0.935 57.059 58.000 -0.009 0.000 1.294 52 F CB 0.335 39.354 39.000 0.032 0.000 1.027 52 F HN -0.280 nan 8.300 nan 0.000 0.550 53 V N 0.699 120.699 119.914 0.143 0.000 2.732 53 V HA 0.006 4.126 4.120 0.000 0.000 0.297 53 V C 0.044 176.221 176.094 0.138 0.000 1.060 53 V CA -0.558 61.821 62.300 0.130 0.000 1.038 53 V CB 0.593 32.487 31.823 0.118 0.000 1.003 53 V HN 0.091 nan 8.190 nan 0.000 0.481 54 Y N 4.660 125.085 120.300 0.209 0.000 2.326 54 Y HA 0.260 4.810 4.550 0.000 0.000 0.333 54 Y C -1.791 174.210 175.900 0.170 0.000 1.240 54 Y CA -1.601 56.634 58.100 0.226 0.000 1.365 54 Y CB 0.381 38.961 38.460 0.200 0.000 1.289 54 Y HN 0.477 nan 8.280 nan 0.000 0.548 55 P HA 0.075 nan 4.420 nan 0.000 0.274 55 P C -1.036 176.356 177.300 0.152 0.000 1.237 55 P CA -0.358 62.867 63.100 0.208 0.000 0.793 55 P CB 0.963 32.775 31.700 0.187 0.000 0.977 56 S N 1.386 117.140 115.700 0.090 0.000 2.519 56 S HA 0.587 5.057 4.470 0.000 0.000 0.309 56 S C -1.237 173.364 174.600 0.001 0.000 1.100 56 S CA -0.628 57.594 58.200 0.036 0.000 1.059 56 S CB -0.077 63.134 63.200 0.019 0.000 1.008 56 S HN 0.291 nan 8.310 nan 0.000 0.478 57 L N 5.267 126.474 121.223 -0.027 0.000 2.287 57 L HA 0.701 5.041 4.340 0.000 0.000 0.287 57 L C -0.572 176.251 176.870 -0.079 0.000 1.022 57 L CA 0.378 55.199 54.840 -0.031 0.000 0.814 57 L CB 1.502 43.562 42.059 0.001 0.000 1.217 57 L HN 0.671 nan 8.230 nan 0.000 0.420 58 T N 4.461 118.978 114.554 -0.062 0.000 2.824 58 T HA 0.691 5.041 4.350 0.000 0.000 0.282 58 T C -0.981 173.729 174.700 0.017 0.000 0.993 58 T CA -0.452 61.611 62.100 -0.063 0.000 0.967 58 T CB 1.679 70.499 68.868 -0.081 0.000 0.960 58 T HN 0.327 nan 8.240 nan 0.000 0.441 59 V N 3.386 123.354 119.914 0.091 0.000 2.483 59 V HA 0.551 4.671 4.120 0.000 0.000 0.297 59 V C -0.045 176.229 176.094 0.301 0.000 1.027 59 V CA -0.708 61.703 62.300 0.184 0.000 0.855 59 V CB 2.028 33.962 31.823 0.185 0.000 0.995 59 V HN 0.996 nan 8.190 nan 0.000 0.424 60 T N 3.853 118.583 114.554 0.292 0.000 2.888 60 T HA 0.570 4.920 4.350 0.000 0.000 0.284 60 T C -1.399 173.425 174.700 0.206 0.000 1.017 60 T CA -0.384 61.880 62.100 0.272 0.000 1.022 60 T CB 1.732 70.765 68.868 0.275 0.000 1.013 60 T HN 0.675 nan 8.240 nan 0.000 0.465 61 W N 3.917 125.107 121.300 -0.183 0.000 2.781 61 W HA 0.364 5.024 4.660 0.000 0.000 0.333 61 W C 0.489 176.922 176.519 -0.143 0.000 1.047 61 W CA -1.454 55.698 57.345 -0.321 0.000 1.236 61 W CB 1.226 30.090 29.460 -0.994 0.000 1.394 61 W HN 0.782 nan 8.180 nan 0.000 0.466 62 D N 2.357 122.491 120.400 -0.444 0.000 2.224 62 D HA 0.051 4.691 4.640 0.000 0.000 0.205 62 D C 1.494 177.312 176.300 -0.803 0.000 0.965 62 D CA 1.349 55.069 54.000 -0.466 0.000 0.852 62 D CB 0.034 40.662 40.800 -0.285 0.000 0.947 62 D HN 0.865 nan 8.370 nan 0.000 0.494 63 G N -0.109 107.633 108.800 -1.764 0.000 2.259 63 G HA2 -0.224 3.736 3.960 0.000 0.000 0.217 63 G HA3 -0.224 3.736 3.960 0.000 0.000 0.217 63 G C 0.249 174.593 174.900 -0.927 0.000 1.001 63 G CA 0.157 44.151 45.100 -1.843 0.000 0.627 63 G HN 0.408 nan 8.290 nan 0.000 0.501 64 S N 1.379 116.761 115.700 -0.529 0.000 2.489 64 S HA 0.709 5.179 4.470 0.000 0.000 0.277 64 S C -0.081 174.550 174.600 0.052 0.000 1.230 64 S CA 0.497 58.603 58.200 -0.157 0.000 1.053 64 S CB 1.678 64.805 63.200 -0.122 0.000 0.955 64 S HN 0.632 nan 8.310 nan 0.000 0.488 65 T N 2.071 116.697 114.554 0.121 0.000 3.225 65 T HA 0.183 4.533 4.350 0.000 0.000 0.356 65 T C 1.048 175.787 174.700 0.063 0.000 1.460 65 T CA -0.779 61.403 62.100 0.138 0.000 1.126 65 T CB 1.456 70.465 68.868 0.234 0.000 1.321 65 T HN 0.452 nan 8.240 nan 0.000 0.478 66 T N 2.555 117.121 114.554 0.019 0.000 2.452 66 T HA -0.120 4.230 4.350 0.000 0.000 0.251 66 T C 0.886 175.585 174.700 -0.002 0.000 1.232 66 T CA 1.599 63.700 62.100 0.002 0.000 1.226 66 T CB -0.292 68.567 68.868 -0.015 0.000 0.864 66 T HN 0.811 nan 8.240 nan 0.000 0.399 67 N N 1.897 120.578 118.700 -0.031 0.000 2.648 67 N HA 0.355 5.095 4.740 0.000 0.000 0.261 67 N C -3.522 171.931 175.510 -0.094 0.000 1.138 67 N CA -1.281 51.746 53.050 -0.038 0.000 0.804 67 N CB 1.152 39.620 38.487 -0.032 0.000 1.237 67 N HN 0.159 nan 8.380 nan 0.000 0.532 68 P HA 0.288 nan 4.420 nan 0.000 0.271 68 P C -2.547 174.645 177.300 -0.179 0.000 1.233 68 P CA -0.825 62.101 63.100 -0.290 0.000 0.789 68 P CB -0.134 31.384 31.700 -0.302 0.000 0.951 69 P HA 0.060 nan 4.420 nan 0.000 0.267 69 P C 0.342 177.601 177.300 -0.069 0.000 1.328 69 P CA 0.184 63.214 63.100 -0.117 0.000 0.990 69 P CB 0.113 31.740 31.700 -0.122 0.000 1.168 70 K N 1.004 121.372 120.400 -0.055 0.000 2.365 70 K HA 0.001 4.321 4.320 0.000 0.000 0.197 70 K C 1.429 178.001 176.600 -0.047 0.000 1.042 70 K CA 1.179 57.447 56.287 -0.031 0.000 0.987 70 K CB -0.397 32.094 32.500 -0.016 0.000 0.779 70 K HN 0.434 nan 8.250 nan 0.000 0.484 71 T N -2.404 112.110 114.554 -0.067 0.000 2.990 71 T HA 0.125 4.475 4.350 0.000 0.000 0.250 71 T C 1.023 175.658 174.700 -0.109 0.000 1.041 71 T CA -0.380 61.676 62.100 -0.073 0.000 1.010 71 T CB 0.336 69.167 68.868 -0.062 0.000 1.003 71 T HN -0.026 nan 8.240 nan 0.000 0.499 72 R N 0.815 121.224 120.500 -0.153 0.000 2.623 72 R HA 0.443 4.783 4.340 0.000 0.000 0.271 72 R C 1.510 177.659 176.300 -0.253 0.000 1.043 72 R CA 0.466 56.411 56.100 -0.260 0.000 1.083 72 R CB 0.277 30.376 30.300 -0.336 0.000 0.974 72 R HN 0.278 nan 8.270 nan 0.000 0.436 73 A N 4.963 127.603 122.820 -0.301 0.000 1.968 73 A HA 0.034 4.354 4.320 0.000 0.000 0.217 73 A C 0.252 177.815 177.584 -0.034 0.000 1.169 73 A CA 0.893 52.863 52.037 -0.112 0.000 0.638 73 A CB -0.258 18.783 19.000 0.068 0.000 0.812 73 A HN 0.666 nan 8.150 nan 0.000 0.446 74 F N -4.866 115.054 119.950 -0.051 0.000 2.790 74 F HA 0.661 5.188 4.527 0.000 0.000 0.337 74 F C 0.877 176.588 175.800 -0.149 0.000 1.163 74 F CA -1.314 56.636 58.000 -0.083 0.000 0.997 74 F CB 0.382 39.346 39.000 -0.059 0.000 1.437 74 F HN 0.412 nan 8.300 nan 0.000 0.512 75 G N 1.259 110.136 108.800 0.129 0.000 2.323 75 G HA2 -0.230 3.730 3.960 0.000 0.000 0.292 75 G HA3 -0.230 3.730 3.960 0.000 0.000 0.292 75 G C -0.290 174.402 174.900 -0.347 0.000 1.040 75 G CA 0.224 45.262 45.100 -0.104 0.000 0.942 75 G HN 0.784 nan 8.290 nan 0.000 0.506 76 R N -1.702 118.526 120.500 -0.453 0.000 2.854 76 R HA 0.736 5.076 4.340 0.000 0.000 0.271 76 R C -0.975 174.805 176.300 -0.866 0.000 0.996 76 R CA -0.893 54.892 56.100 -0.526 0.000 0.961 76 R CB 1.146 31.318 30.300 -0.214 0.000 1.182 76 R HN 0.059 nan 8.270 nan 0.000 0.479 77 F N -0.362 119.131 119.950 -0.761 0.000 2.458 77 F HA 0.290 4.817 4.527 0.000 0.000 0.336 77 F C 1.183 176.793 175.800 -0.318 0.000 1.114 77 F CA -0.479 57.062 58.000 -0.765 0.000 0.987 77 F CB 2.303 40.515 39.000 -1.314 0.000 1.130 77 F HN 0.471 nan 8.300 nan 0.000 0.458 78 T N 0.684 115.256 114.554 0.030 0.000 3.067 78 T HA 0.041 4.391 4.350 0.000 0.000 0.257 78 T C -0.498 174.410 174.700 0.347 0.000 1.105 78 T CA 0.830 63.025 62.100 0.159 0.000 1.104 78 T CB -0.376 68.601 68.868 0.181 0.000 0.925 78 T HN 0.750 nan 8.240 nan 0.000 0.498 79 H N -1.768 117.586 119.070 0.474 0.000 2.932 79 H HA 0.725 5.281 4.556 0.000 0.000 0.307 79 H C -0.944 174.740 175.328 0.593 0.000 1.391 79 H CA -1.148 55.183 56.048 0.471 0.000 1.130 79 H CB 0.432 30.361 29.762 0.278 0.000 1.836 79 H HN -0.032 nan 8.280 nan 0.000 0.522 80 A N 0.298 123.421 122.820 0.506 0.000 2.304 80 A HA 0.793 5.113 4.320 0.000 0.000 0.271 80 A C 0.899 178.681 177.584 0.331 0.000 1.091 80 A CA 0.442 52.631 52.037 0.255 0.000 0.812 80 A CB -0.383 18.538 19.000 -0.130 0.000 1.056 80 A HN 1.866 nan 8.150 nan 0.000 0.489 81 G N -0.796 108.120 108.800 0.193 0.000 2.346 81 G HA2 0.379 4.339 3.960 0.000 0.000 0.294 81 G HA3 0.379 4.339 3.960 0.000 0.000 0.294 81 G C -0.636 174.338 174.900 0.123 0.000 1.294 81 G CA -0.188 44.978 45.100 0.111 0.000 0.962 81 G HN 1.189 nan 8.290 nan 0.000 0.508 82 S N -0.430 115.315 115.700 0.074 0.000 2.489 82 S HA 0.760 5.230 4.470 0.000 0.000 0.291 82 S C -1.382 173.238 174.600 0.033 0.000 1.151 82 S CA -0.259 58.083 58.200 0.235 0.000 1.082 82 S CB 1.043 64.567 63.200 0.540 0.000 1.019 82 S HN 0.494 nan 8.310 nan 0.000 0.492 83 Y N 0.809 121.191 120.300 0.137 0.000 2.350 83 Y HA 0.599 5.149 4.550 0.000 0.000 0.338 83 Y C 0.609 176.428 175.900 -0.136 0.000 0.961 83 Y CA -0.613 57.502 58.100 0.025 0.000 1.100 83 Y CB 1.998 40.467 38.460 0.015 0.000 1.179 83 Y HN 0.556 nan 8.280 nan 0.000 0.454 84 T N 1.060 115.547 114.554 -0.112 0.000 2.887 84 T HA 0.804 5.154 4.350 0.000 0.000 0.292 84 T C -1.196 173.393 174.700 -0.185 0.000 1.087 84 T CA -0.406 61.552 62.100 -0.236 0.000 1.009 84 T CB 1.877 70.437 68.868 -0.514 0.000 1.203 84 T HN 0.691 nan 8.240 nan 0.000 0.518 85 T N 0.993 115.448 114.554 -0.165 0.000 3.033 85 T HA 0.480 4.830 4.350 0.000 0.000 0.362 85 T C -0.723 173.923 174.700 -0.090 0.000 1.723 85 T CA -0.242 61.781 62.100 -0.129 0.000 1.110 85 T CB 0.801 69.572 68.868 -0.161 0.000 1.515 85 T HN 1.006 nan 8.240 nan 0.000 0.484 86 T N 2.530 117.034 114.554 -0.082 0.000 2.868 86 T HA 0.759 5.109 4.350 0.000 0.000 0.292 86 T C 0.175 174.793 174.700 -0.136 0.000 1.028 86 T CA -0.653 61.407 62.100 -0.067 0.000 1.059 86 T CB 0.431 69.239 68.868 -0.101 0.000 0.991 86 T HN 0.577 nan 8.240 nan 0.000 0.531 87 I N 0.620 121.138 120.570 -0.086 0.000 2.647 87 I HA 0.486 4.657 4.170 0.000 0.000 0.295 87 I C -0.044 176.012 176.117 -0.101 0.000 1.078 87 I CA -0.822 60.406 61.300 -0.120 0.000 1.048 87 I CB 2.625 40.595 38.000 -0.050 0.000 1.239 87 I HN 0.763 nan 8.210 nan 0.000 0.421 88 T N 4.140 118.562 114.554 -0.219 0.000 2.906 88 T HA 0.416 4.766 4.350 0.000 0.000 0.295 88 T C -0.431 174.031 174.700 -0.397 0.000 1.075 88 T CA -0.440 61.493 62.100 -0.278 0.000 1.005 88 T CB 0.913 69.768 68.868 -0.021 0.000 1.136 88 T HN 0.626 nan 8.240 nan 0.000 0.498 89 R N 1.418 121.424 120.500 -0.824 0.000 3.158 89 R HA -0.130 4.210 4.340 0.000 0.000 0.244 89 R C -2.314 173.956 176.300 -0.051 0.000 0.900 89 R CA 0.400 56.318 56.100 -0.303 0.000 0.618 89 R CB -2.015 28.305 30.300 0.032 0.000 1.061 89 R HN 0.586 nan 8.270 nan 0.000 0.471 90 P HA -0.120 nan 4.420 nan 0.000 0.218 90 P C 1.294 178.635 177.300 0.069 0.000 1.148 90 P CA 1.191 64.305 63.100 0.023 0.000 0.822 90 P CB 0.200 31.907 31.700 0.012 0.000 0.784 91 T N -0.081 114.503 114.554 0.049 0.000 2.737 91 T HA -0.114 4.236 4.350 0.000 0.000 0.265 91 T C 1.643 176.333 174.700 -0.018 0.000 1.038 91 T CA 0.940 63.059 62.100 0.032 0.000 1.144 91 T CB -0.952 67.941 68.868 0.041 0.000 0.866 91 T HN 0.021 nan 8.240 nan 0.000 0.434 92 L N 0.495 121.674 121.223 -0.073 0.000 2.079 92 L HA 0.024 4.364 4.340 0.000 0.000 0.210 92 L C 1.196 177.839 176.870 -0.379 0.000 1.081 92 L CA 1.812 56.498 54.840 -0.256 0.000 0.752 92 L CB -0.692 41.137 42.059 -0.384 0.000 0.896 92 L HN 0.206 nan 8.230 nan 0.000 0.433 93 F N -1.114 118.812 119.950 -0.039 0.000 2.645 93 F HA 0.243 4.770 4.527 0.000 0.000 0.300 93 F C 2.079 177.898 175.800 0.031 0.000 1.115 93 F CA -0.091 57.907 58.000 -0.003 0.000 1.355 93 F CB -0.343 38.656 39.000 -0.002 0.000 1.026 93 F HN 0.005 nan 8.300 nan 0.000 0.536 94 R N 0.623 121.187 120.500 0.106 0.000 2.115 94 R HA -0.196 4.144 4.340 0.000 0.000 0.239 94 R C 2.241 178.570 176.300 0.048 0.000 1.133 94 R CA 2.410 58.549 56.100 0.065 0.000 0.935 94 R CB -0.719 29.599 30.300 0.029 0.000 0.853 94 R HN 0.137 nan 8.270 nan 0.000 0.433 95 S N -0.591 115.136 115.700 0.044 0.000 2.351 95 S HA -0.222 4.248 4.470 0.000 0.000 0.220 95 S C 1.620 176.231 174.600 0.019 0.000 1.035 95 S CA 1.510 59.725 58.200 0.025 0.000 1.031 95 S CB -0.792 62.427 63.200 0.032 0.000 0.928 95 S HN 0.480 nan 8.310 nan 0.000 0.433 96 Y N 2.416 122.686 120.300 -0.050 0.000 2.030 96 Y HA -0.203 4.347 4.550 0.000 0.000 0.274 96 Y C 2.065 177.847 175.900 -0.197 0.000 1.153 96 Y CA 1.553 59.593 58.100 -0.099 0.000 1.115 96 Y CB -0.704 37.765 38.460 0.015 0.000 0.969 96 Y HN 0.129 nan 8.280 nan 0.000 0.488 97 L N 0.166 121.343 121.223 -0.077 0.000 2.042 97 L HA -0.289 4.051 4.340 0.000 0.000 0.210 97 L C 2.365 179.062 176.870 -0.288 0.000 1.076 97 L CA 1.853 56.541 54.840 -0.253 0.000 0.749 97 L CB -0.826 41.234 42.059 0.003 0.000 0.893 97 L HN 0.349 nan 8.230 nan 0.000 0.432 98 N N 0.265 118.867 118.700 -0.163 0.000 2.058 98 N HA -0.265 4.475 4.740 0.000 0.000 0.191 98 N C 1.819 177.215 175.510 -0.190 0.000 1.037 98 N CA 1.800 54.767 53.050 -0.139 0.000 0.848 98 N CB -0.081 38.360 38.487 -0.077 0.000 1.021 98 N HN 0.295 nan 8.380 nan 0.000 0.422 99 E N -0.550 119.518 120.200 -0.220 0.000 2.049 99 E HA -0.274 4.076 4.350 0.000 0.000 0.198 99 E C 1.732 178.148 176.600 -0.306 0.000 1.007 99 E CA 1.244 57.511 56.400 -0.221 0.000 0.809 99 E CB -0.052 29.515 29.700 -0.220 0.000 0.749 99 E HN 0.405 nan 8.360 nan 0.000 0.450 100 Q N 0.290 119.740 119.800 -0.585 0.000 2.096 100 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 100 Q C 2.471 178.232 176.000 -0.398 0.000 0.982 100 Q CA 1.136 56.507 55.803 -0.718 0.000 0.850 100 Q CB -0.380 27.361 28.738 -1.662 0.000 0.901 100 Q HN 0.426 nan 8.270 nan 0.000 0.422 101 L N 0.106 121.140 121.223 -0.316 0.000 2.141 101 L HA -0.136 4.204 4.340 0.000 0.000 0.209 101 L C 2.329 179.198 176.870 -0.001 0.000 1.094 101 L CA 1.149 55.952 54.840 -0.061 0.000 0.763 101 L CB -0.516 41.512 42.059 -0.053 0.000 0.908 101 L HN 0.201 nan 8.230 nan 0.000 0.437 102 T N 0.256 114.783 114.554 -0.045 0.000 2.746 102 T HA -0.141 4.209 4.350 0.000 0.000 0.267 102 T C 1.979 176.736 174.700 0.094 0.000 1.039 102 T CA 1.114 63.239 62.100 0.041 0.000 1.142 102 T CB -0.184 68.684 68.868 0.000 0.000 0.866 102 T HN 0.179 nan 8.240 nan 0.000 0.444 103 L N 0.534 121.771 121.223 0.023 0.000 2.012 103 L HA -0.088 4.252 4.340 0.000 0.000 0.210 103 L C 2.468 179.396 176.870 0.098 0.000 1.073 103 L CA 1.343 56.205 54.840 0.038 0.000 0.748 103 L CB -0.626 41.428 42.059 -0.007 0.000 0.891 103 L HN 0.273 nan 8.230 nan 0.000 0.431 104 L N -2.068 119.198 121.223 0.072 0.000 2.141 104 L HA -0.227 4.113 4.340 0.000 0.000 0.209 104 L C 2.562 179.612 176.870 0.300 0.000 1.094 104 L CA 0.963 55.877 54.840 0.123 0.000 0.763 104 L CB -0.638 41.438 42.059 0.028 0.000 0.908 104 L HN 0.213 nan 8.230 nan 0.000 0.437 105 Y N 1.187 121.561 120.300 0.124 0.000 2.184 105 Y HA -0.218 4.332 4.550 0.000 0.000 0.290 105 Y C 2.672 178.649 175.900 0.128 0.000 1.129 105 Y CA 1.602 59.780 58.100 0.129 0.000 1.144 105 Y CB -0.089 38.418 38.460 0.079 0.000 0.995 105 Y HN 0.162 nan 8.280 nan 0.000 0.513 106 Q N -0.946 118.948 119.800 0.157 0.000 2.269 106 Q HA -0.080 4.260 4.340 0.000 0.000 0.201 106 Q C 0.998 177.009 176.000 0.017 0.000 0.946 106 Q CA 1.339 57.165 55.803 0.037 0.000 0.877 106 Q CB 0.113 28.899 28.738 0.080 0.000 0.963 106 Q HN 0.474 nan 8.270 nan 0.000 0.472 107 D N -1.154 119.287 120.400 0.067 0.000 2.346 107 D HA -0.016 4.624 4.640 0.000 0.000 0.206 107 D C 0.380 176.589 176.300 -0.153 0.000 1.001 107 D CA 0.773 54.746 54.000 -0.044 0.000 0.871 107 D CB 0.332 41.102 40.800 -0.049 0.000 0.943 107 D HN 0.227 nan 8.370 nan 0.000 0.518 108 Y N -0.855 119.470 120.300 0.042 0.000 2.499 108 Y HA 0.320 4.870 4.550 0.000 0.000 0.253 108 Y C 1.363 177.392 175.900 0.215 0.000 1.105 108 Y CA -0.131 58.048 58.100 0.132 0.000 1.240 108 Y CB 0.904 39.340 38.460 -0.040 0.000 1.289 108 Y HN -0.078 nan 8.280 nan 0.000 0.534 109 G N 1.662 110.586 108.800 0.207 0.000 2.350 109 G HA2 -0.110 3.850 3.960 0.000 0.000 0.298 109 G HA3 -0.110 3.850 3.960 0.000 0.000 0.298 109 G C 0.204 175.236 174.900 0.219 0.000 1.037 109 G CA 0.159 45.302 45.100 0.071 0.000 1.074 109 G HN 0.612 nan 8.290 nan 0.000 0.511 110 A N -0.055 122.951 122.820 0.310 0.000 2.340 110 A HA 0.636 4.956 4.320 0.000 0.000 0.268 110 A C 0.284 178.094 177.584 0.376 0.000 1.100 110 A CA -0.002 52.258 52.037 0.372 0.000 0.803 110 A CB 0.458 19.702 19.000 0.407 0.000 1.043 110 A HN 1.302 nan 8.150 nan 0.000 0.488 111 H N 1.810 121.022 119.070 0.236 0.000 2.705 111 H HA 0.520 5.076 4.556 0.000 0.000 0.291 111 H C -0.502 174.941 175.328 0.193 0.000 1.085 111 H CA -0.299 55.873 56.048 0.206 0.000 1.357 111 H CB -0.151 29.700 29.762 0.148 0.000 1.419 111 H HN 0.464 nan 8.280 nan 0.000 0.462 112 I N 4.367 124.836 120.570 -0.169 0.000 2.440 112 I HA 0.301 4.471 4.170 0.000 0.000 0.294 112 I C -0.170 175.739 176.117 -0.347 0.000 0.995 112 I CA -0.525 60.673 61.300 -0.169 0.000 1.306 112 I CB 1.418 39.385 38.000 -0.056 0.000 1.407 112 I HN 0.700 nan 8.210 nan 0.000 0.501 113 S N 4.352 119.938 115.700 -0.190 0.000 2.533 113 S HA 0.717 5.187 4.470 0.000 0.000 0.271 113 S C -1.120 173.454 174.600 -0.043 0.000 1.143 113 S CA -0.787 57.339 58.200 -0.125 0.000 0.891 113 S CB 1.752 64.898 63.200 -0.089 0.000 1.105 113 S HN 0.271 nan 8.310 nan 0.000 0.468 114 V N 3.471 123.376 119.914 -0.015 0.000 2.680 114 V HA 0.881 5.001 4.120 0.000 0.000 0.309 114 V C -0.909 175.199 176.094 0.024 0.000 1.052 114 V CA -0.407 61.898 62.300 0.008 0.000 0.908 114 V CB 1.598 33.432 31.823 0.018 0.000 1.001 114 V HN 1.083 nan 8.190 nan 0.000 0.431 115 Q N 3.278 123.098 119.800 0.032 0.000 2.647 115 Q HA 0.485 4.825 4.340 0.000 0.000 0.283 115 Q C -3.327 172.705 176.000 0.054 0.000 0.943 115 Q CA -2.113 53.714 55.803 0.041 0.000 0.813 115 Q CB 1.499 30.258 28.738 0.035 0.000 1.477 115 Q HN 0.373 nan 8.270 nan 0.000 0.393 116 P HA 0.064 nan 4.420 nan 0.000 0.268 116 P C -0.137 177.203 177.300 0.066 0.000 1.205 116 P CA 0.489 63.633 63.100 0.073 0.000 0.771 116 P CB 0.730 32.463 31.700 0.055 0.000 0.858 117 S N 2.538 118.298 115.700 0.100 0.000 2.666 117 S HA 0.213 4.683 4.470 0.000 0.000 0.279 117 S C 0.637 175.246 174.600 0.016 0.000 1.149 117 S CA -0.321 57.926 58.200 0.078 0.000 1.020 117 S CB 0.496 63.805 63.200 0.182 0.000 1.127 117 S HN 0.326 nan 8.310 nan 0.000 0.537 118 Q N 0.175 119.897 119.800 -0.129 0.000 2.198 118 Q HA 0.249 4.589 4.340 0.000 0.000 0.209 118 Q C -0.639 175.192 176.000 -0.282 0.000 0.848 118 Q CA 0.110 55.785 55.803 -0.214 0.000 0.974 118 Q CB -0.003 28.567 28.738 -0.280 0.000 1.115 118 Q HN 0.632 nan 8.270 nan 0.000 0.494 119 H N 0.753 119.923 119.070 0.165 0.000 2.476 119 H HA 0.348 4.904 4.556 0.000 0.000 0.328 119 H C -0.123 175.374 175.328 0.281 0.000 1.073 119 H CA -0.217 55.967 56.048 0.226 0.000 1.229 119 H CB 1.182 31.095 29.762 0.251 0.000 1.432 119 H HN 0.060 nan 8.280 nan 0.000 0.477 120 E N 2.830 123.230 120.200 0.334 0.000 2.313 120 E HA 0.244 4.594 4.350 0.000 0.000 0.272 120 E C 0.241 176.949 176.600 0.180 0.000 1.038 120 E CA -0.617 55.928 56.400 0.243 0.000 0.863 120 E CB 1.749 31.604 29.700 0.258 0.000 1.060 120 E HN 0.439 nan 8.360 nan 0.000 0.402 121 I N 4.174 124.697 120.570 -0.078 0.000 2.452 121 I HA 0.087 4.257 4.170 0.000 0.000 0.287 121 I C -2.118 174.016 176.117 0.029 0.000 1.079 121 I CA -1.921 59.248 61.300 -0.218 0.000 1.387 121 I CB 0.257 38.001 38.000 -0.426 0.000 1.404 121 I HN 0.126 nan 8.210 nan 0.000 0.522 122 P HA -0.063 nan 4.420 nan 0.000 0.267 122 P C 0.253 177.440 177.300 -0.188 0.000 1.209 122 P CA -0.039 63.035 63.100 -0.044 0.000 0.763 122 P CB 0.249 31.876 31.700 -0.123 0.000 0.816 123 Y N 5.834 126.022 120.300 -0.187 0.000 2.181 123 Y HA -0.168 4.382 4.550 0.000 0.000 0.284 123 Y C -1.131 174.613 175.900 -0.259 0.000 1.179 123 Y CA 1.435 59.378 58.100 -0.262 0.000 1.179 123 Y CB -2.964 35.293 38.460 -0.338 0.000 0.973 123 Y HN 0.347 nan 8.280 nan 0.000 0.519 124 P HA -0.163 nan 4.420 nan 0.000 0.221 124 P C 0.589 177.689 177.300 -0.333 0.000 1.145 124 P CA 1.682 64.401 63.100 -0.635 0.000 0.795 124 P CB -0.311 30.867 31.700 -0.870 0.000 0.775 125 Y N -1.478 118.760 120.300 -0.103 0.000 2.490 125 Y HA 0.072 4.622 4.550 0.000 0.000 0.281 125 Y C 1.696 177.582 175.900 -0.023 0.000 1.174 125 Y CA -0.213 57.867 58.100 -0.032 0.000 1.295 125 Y CB -0.866 37.618 38.460 0.040 0.000 1.062 125 Y HN -0.094 nan 8.280 nan 0.000 0.522 126 V N -3.486 116.461 119.914 0.054 0.000 3.276 126 V HA 0.320 4.440 4.120 0.000 0.000 0.319 126 V C 0.452 176.535 176.094 -0.020 0.000 1.427 126 V CA -0.245 62.054 62.300 -0.001 0.000 1.102 126 V CB -0.270 31.509 31.823 -0.073 0.000 1.020 126 V HN -0.102 nan 8.190 nan 0.000 0.456 135 D N 0.407 120.817 120.400 0.016 0.000 2.440 135 D HA 0.278 4.918 4.640 0.000 0.000 0.269 135 D C 0.733 177.049 176.300 0.026 0.000 1.249 135 D CA -0.180 53.831 54.000 0.018 0.000 1.055 135 D CB 0.701 41.510 40.800 0.015 0.000 1.104 135 D HN 0.795 nan 8.370 nan 0.000 0.561 136 R N -0.662 119.853 120.500 0.025 0.000 2.236 136 R HA -0.002 4.338 4.340 0.000 0.000 0.208 136 R C 0.951 177.275 176.300 0.039 0.000 1.036 136 R CA 0.106 56.223 56.100 0.028 0.000 1.001 136 R CB -0.014 30.299 30.300 0.022 0.000 0.896 136 R HN 0.404 nan 8.270 nan 0.000 0.464 140 A N 1.653 124.506 122.820 0.056 0.000 1.898 140 A HA 0.322 4.642 4.320 0.000 0.000 0.216 140 A C 2.060 179.644 177.584 -0.000 0.000 1.181 140 A CA 2.040 54.094 52.037 0.029 0.000 0.620 140 A CB -1.217 17.804 19.000 0.035 0.000 0.819 140 A HN 0.554 nan 8.150 nan 0.000 0.442 141 G N -0.231 108.612 108.800 0.073 0.000 2.395 141 G HA2 -0.055 3.905 3.960 0.000 0.000 0.214 141 G HA3 -0.055 3.905 3.960 0.000 0.000 0.214 141 G C 1.558 176.400 174.900 -0.097 0.000 1.177 141 G CA 0.825 45.966 45.100 0.068 0.000 0.794 141 G HN 0.388 nan 8.290 nan 0.000 0.532 142 L N 1.236 122.427 121.223 -0.054 0.000 1.978 142 L HA -0.179 4.161 4.340 0.000 0.000 0.218 142 L C 3.331 180.232 176.870 0.051 0.000 1.075 142 L CA 2.095 56.885 54.840 -0.084 0.000 0.767 142 L CB -1.205 40.594 42.059 -0.434 0.000 0.890 142 L HN 0.449 nan 8.230 nan 0.000 0.434 143 T N -2.767 111.842 114.554 0.092 0.000 2.977 143 T HA -0.219 4.131 4.350 0.000 0.000 0.271 143 T C 1.877 176.560 174.700 -0.027 0.000 1.105 143 T CA 1.084 63.259 62.100 0.126 0.000 1.116 143 T CB -0.225 68.698 68.868 0.092 0.000 0.878 143 T HN 0.311 nan 8.240 nan 0.000 0.509 144 R N -0.663 119.720 120.500 -0.195 0.000 2.075 144 R HA 0.097 4.437 4.340 0.000 0.000 0.220 144 R C 1.366 177.372 176.300 -0.490 0.000 1.118 144 R CA 0.739 56.588 56.100 -0.419 0.000 0.986 144 R CB 0.029 29.899 30.300 -0.717 0.000 0.884 144 R HN 0.499 nan 8.270 nan 0.000 0.439 145 Y N -1.450 118.710 120.300 -0.233 0.000 2.458 145 Y HA 0.287 4.837 4.550 0.000 0.000 0.254 145 Y C -0.147 175.401 175.900 -0.588 0.000 1.120 145 Y CA -0.290 57.546 58.100 -0.440 0.000 1.282 145 Y CB 0.424 38.475 38.460 -0.683 0.000 1.109 145 Y HN -0.123 nan 8.280 nan 0.000 0.526 146 F N 0.097 120.042 119.950 -0.008 0.000 2.575 146 F HA 0.559 5.086 4.527 0.000 0.000 0.330 146 F C -2.327 173.532 175.800 0.098 0.000 1.056 146 F CA -3.306 54.703 58.000 0.014 0.000 0.964 146 F CB 0.725 39.638 39.000 -0.145 0.000 1.258 146 F HN -0.329 nan 8.300 nan 0.000 0.484 147 P HA 0.197 nan 4.420 nan 0.000 0.271 147 P C -0.762 176.649 177.300 0.184 0.000 1.226 147 P CA -0.029 63.209 63.100 0.229 0.000 0.765 147 P CB 0.521 32.345 31.700 0.207 0.000 0.835 148 T N -0.583 114.030 114.554 0.098 0.000 2.926 148 T HA 0.588 4.939 4.350 0.000 0.000 0.289 148 T C 0.063 174.746 174.700 -0.029 0.000 1.054 148 T CA -0.748 61.334 62.100 -0.030 0.000 1.015 148 T CB 1.375 70.243 68.868 0.000 0.000 1.167 148 T HN 0.288 nan 8.240 nan 0.000 0.526 169 S N 0.518 116.241 115.700 0.040 0.000 2.638 169 S HA 0.740 5.210 4.470 0.000 0.000 0.298 169 S C -2.937 171.693 174.600 0.051 0.000 1.111 169 S CA -1.348 56.851 58.200 -0.002 0.000 1.027 169 S CB 1.981 65.118 63.200 -0.106 0.000 1.064 169 S HN 0.165 nan 8.310 nan 0.000 0.525 170 P HA 0.141 nan 4.420 nan 0.000 0.271 170 P C 0.437 177.736 177.300 -0.002 0.000 1.220 170 P CA -0.342 62.758 63.100 -0.001 0.000 0.768 170 P CB 0.448 32.129 31.700 -0.031 0.000 0.848 171 L N 3.292 124.438 121.223 -0.127 0.000 2.209 171 L HA 0.065 4.405 4.340 0.000 0.000 0.207 171 L C 0.658 177.197 176.870 -0.551 0.000 1.094 171 L CA 1.598 56.232 54.840 -0.344 0.000 0.790 171 L CB -0.353 41.406 42.059 -0.501 0.000 0.932 171 L HN 0.445 nan 8.230 nan 0.000 0.447 172 S N -3.614 111.865 115.700 -0.367 0.000 2.740 172 S HA 0.347 4.817 4.470 0.000 0.000 0.300 172 S C 0.832 175.246 174.600 -0.310 0.000 1.147 172 S CA -0.621 57.413 58.200 -0.277 0.000 0.871 172 S CB 0.434 63.627 63.200 -0.011 0.000 1.173 172 S HN 0.220 nan 8.310 nan 0.000 0.510 173 H N -0.205 118.756 119.070 -0.181 0.000 2.357 173 H HA 0.211 4.767 4.556 0.000 0.000 0.301 173 H C -0.336 174.633 175.328 -0.599 0.000 1.082 173 H CA 1.282 57.044 56.048 -0.477 0.000 1.342 173 H CB -0.108 29.181 29.762 -0.789 0.000 1.389 173 H HN 0.486 nan 8.280 nan 0.000 0.511 174 F N 1.269 121.255 119.950 0.059 0.000 2.546 174 F HA 0.227 4.754 4.527 0.000 0.000 0.320 174 F C 0.181 175.913 175.800 -0.113 0.000 1.076 174 F CA -1.468 56.512 58.000 -0.033 0.000 0.928 174 F CB 1.333 40.291 39.000 -0.070 0.000 1.189 174 F HN -0.011 nan 8.300 nan 0.000 0.465 175 D N 0.610 121.043 120.400 0.055 0.000 2.387 175 D HA 0.519 5.160 4.640 0.000 0.000 0.255 175 D C 0.967 177.140 176.300 -0.212 0.000 1.081 175 D CA -0.516 53.421 54.000 -0.106 0.000 0.994 175 D CB 0.927 41.638 40.800 -0.149 0.000 1.127 175 D HN 0.573 nan 8.370 nan 0.000 0.513 176 A N 0.486 123.074 122.820 -0.387 0.000 1.903 176 A HA -0.285 4.035 4.320 0.000 0.000 0.219 176 A C 2.123 179.373 177.584 -0.557 0.000 1.191 176 A CA 1.581 53.224 52.037 -0.656 0.000 0.638 176 A CB -0.654 17.527 19.000 -1.365 0.000 0.823 176 A HN 0.550 nan 8.150 nan 0.000 0.451 177 R N -1.066 119.180 120.500 -0.422 0.000 2.083 177 R HA -0.152 4.188 4.340 0.000 0.000 0.237 177 R C 2.322 178.586 176.300 -0.059 0.000 1.137 177 R CA 1.674 57.706 56.100 -0.113 0.000 0.951 177 R CB -0.654 29.619 30.300 -0.046 0.000 0.851 177 R HN 0.521 nan 8.270 nan 0.000 0.434 178 R N 1.309 121.768 120.500 -0.069 0.000 2.096 178 R HA -0.064 4.276 4.340 0.000 0.000 0.235 178 R C 2.088 178.368 176.300 -0.033 0.000 1.127 178 R CA 1.358 57.460 56.100 0.004 0.000 0.968 178 R CB -0.809 29.527 30.300 0.061 0.000 0.861 178 R HN 0.079 nan 8.270 nan 0.000 0.440 179 V N 1.023 120.853 119.914 -0.140 0.000 2.307 179 V HA -0.183 3.937 4.120 0.000 0.000 0.245 179 V C 1.807 177.780 176.094 -0.201 0.000 1.045 179 V CA 2.134 64.316 62.300 -0.197 0.000 1.024 179 V CB -0.557 31.130 31.823 -0.228 0.000 0.651 179 V HN 0.294 nan 8.190 nan 0.000 0.449 180 D N -0.317 119.921 120.400 -0.271 0.000 2.117 180 D HA -0.187 4.453 4.640 0.000 0.000 0.197 180 D C 1.917 177.801 176.300 -0.693 0.000 0.987 180 D CA 1.350 55.029 54.000 -0.535 0.000 0.829 180 D CB -0.272 40.053 40.800 -0.793 0.000 0.961 180 D HN 0.437 nan 8.370 nan 0.000 0.460 181 F N 1.699 121.309 119.950 -0.568 0.000 2.091 181 F HA -0.235 4.292 4.527 0.000 0.000 0.299 181 F C 2.419 178.118 175.800 -0.168 0.000 1.103 181 F CA 1.537 59.415 58.000 -0.204 0.000 1.228 181 F CB -0.331 38.660 39.000 -0.014 0.000 0.984 181 F HN -0.173 nan 8.300 nan 0.000 0.477 182 S N 0.655 116.202 115.700 -0.256 0.000 2.387 182 S HA -0.044 4.426 4.470 0.000 0.000 0.226 182 S C 2.088 176.448 174.600 -0.399 0.000 1.026 182 S CA 1.077 59.073 58.200 -0.340 0.000 0.972 182 S CB -0.391 62.758 63.200 -0.085 0.000 0.814 182 S HN 0.372 nan 8.310 nan 0.000 0.477 183 L N 1.165 122.201 121.223 -0.312 0.000 2.017 183 L HA -0.135 4.205 4.340 0.000 0.000 0.208 183 L C 2.819 179.525 176.870 -0.274 0.000 1.073 183 L CA 1.283 55.957 54.840 -0.275 0.000 0.745 183 L CB -0.753 41.186 42.059 -0.200 0.000 0.894 183 L HN 0.308 nan 8.230 nan 0.000 0.432 184 A N 0.020 122.680 122.820 -0.267 0.000 1.908 184 A HA -0.262 4.058 4.320 0.000 0.000 0.218 184 A C 2.355 179.766 177.584 -0.288 0.000 1.181 184 A CA 1.932 53.854 52.037 -0.190 0.000 0.627 184 A CB -0.490 18.486 19.000 -0.039 0.000 0.818 184 A HN 0.238 nan 8.150 nan 0.000 0.445 185 R N -0.591 119.611 120.500 -0.496 0.000 2.092 185 R HA 0.084 4.424 4.340 0.000 0.000 0.231 185 R C 2.058 178.118 176.300 -0.399 0.000 1.119 185 R CA 0.985 56.712 56.100 -0.622 0.000 0.970 185 R CB -0.617 28.971 30.300 -1.187 0.000 0.864 185 R HN 0.577 nan 8.270 nan 0.000 0.440 186 L N -0.046 120.975 121.223 -0.336 0.000 2.012 186 L HA -0.239 4.101 4.340 0.000 0.000 0.210 186 L C 2.594 179.428 176.870 -0.060 0.000 1.073 186 L CA 1.718 56.468 54.840 -0.150 0.000 0.748 186 L CB -0.319 41.552 42.059 -0.313 0.000 0.891 186 L HN 0.238 nan 8.230 nan 0.000 0.431 187 R N -0.977 119.462 120.500 -0.103 0.000 2.081 187 R HA -0.269 4.071 4.340 0.000 0.000 0.235 187 R C 2.412 178.692 176.300 -0.034 0.000 1.131 187 R CA 1.962 58.034 56.100 -0.047 0.000 0.960 187 R CB -0.350 29.913 30.300 -0.063 0.000 0.856 187 R HN 0.417 nan 8.270 nan 0.000 0.436 188 H N -0.640 118.317 119.070 -0.190 0.000 2.319 188 H HA -0.178 4.378 4.556 0.000 0.000 0.299 188 H C 1.326 176.579 175.328 -0.124 0.000 1.092 188 H CA 2.358 58.277 56.048 -0.215 0.000 1.302 188 H CB -0.337 29.158 29.762 -0.445 0.000 1.373 188 H HN 0.288 nan 8.280 nan 0.000 0.497 189 Y N -0.726 119.461 120.300 -0.188 0.000 2.337 189 Y HA 0.002 4.552 4.550 0.000 0.000 0.293 189 Y C 2.787 178.618 175.900 -0.115 0.000 1.123 189 Y CA 1.418 59.391 58.100 -0.211 0.000 1.201 189 Y CB -0.383 38.030 38.460 -0.079 0.000 1.011 189 Y HN 0.254 nan 8.280 nan 0.000 0.545 190 T N -1.790 112.786 114.554 0.036 0.000 3.009 190 T HA 0.160 4.510 4.350 0.000 0.000 0.258 190 T C 1.460 175.893 174.700 -0.446 0.000 1.063 190 T CA 0.979 63.028 62.100 -0.084 0.000 1.139 190 T CB -0.535 68.437 68.868 0.173 0.000 0.890 190 T HN 0.488 nan 8.240 nan 0.000 0.471 191 G N 1.975 110.421 108.800 -0.590 0.000 2.272 191 G HA2 -0.201 3.759 3.960 0.000 0.000 0.280 191 G HA3 -0.201 3.759 3.960 0.000 0.000 0.280 191 G C 0.109 174.712 174.900 -0.495 0.000 1.067 191 G CA 0.391 44.843 45.100 -1.080 0.000 0.902 191 G HN 0.553 nan 8.290 nan 0.000 0.500 192 T N -0.057 114.374 114.554 -0.204 0.000 2.932 192 T HA 0.549 4.899 4.350 0.000 0.000 0.318 192 T C -2.988 171.740 174.700 0.047 0.000 1.265 192 T CA -0.798 61.282 62.100 -0.033 0.000 1.036 192 T CB 2.999 71.905 68.868 0.064 0.000 1.209 192 T HN 0.002 nan 8.240 nan 0.000 0.484 193 P HA 0.142 nan 4.420 nan 0.000 0.276 193 P C 1.312 178.561 177.300 -0.085 0.000 1.230 193 P CA -0.534 62.459 63.100 -0.178 0.000 0.776 193 P CB 0.562 31.981 31.700 -0.468 0.000 0.888 194 V N 1.185 121.060 119.914 -0.065 0.000 2.720 194 V HA -0.241 3.879 4.120 0.000 0.000 0.256 194 V C 1.239 177.300 176.094 -0.056 0.000 1.082 194 V CA 1.689 63.956 62.300 -0.056 0.000 1.101 194 V CB -1.414 30.254 31.823 -0.260 0.000 0.693 194 V HN 0.342 nan 8.190 nan 0.000 0.479 195 E N 0.143 120.230 120.200 -0.189 0.000 2.409 195 E HA -0.084 4.266 4.350 0.000 0.000 0.198 195 E C 1.811 178.407 176.600 -0.007 0.000 1.024 195 E CA 1.416 57.722 56.400 -0.156 0.000 0.861 195 E CB -0.667 28.923 29.700 -0.182 0.000 0.788 195 E HN 0.889 nan 8.360 nan 0.000 0.521 196 H N -1.462 117.575 119.070 -0.055 0.000 2.563 196 H HA 0.160 4.716 4.556 0.000 0.000 0.264 196 H C -0.161 174.882 175.328 -0.476 0.000 0.957 196 H CA -0.742 55.204 56.048 -0.170 0.000 1.173 196 H CB 0.199 29.883 29.762 -0.130 0.000 1.420 196 H HN 0.065 nan 8.280 nan 0.000 0.551 197 F N 2.594 122.263 119.950 -0.469 0.000 2.578 197 F HA -0.035 4.492 4.527 0.000 0.000 0.376 197 F C 0.747 176.510 175.800 -0.063 0.000 1.085 197 F CA -0.063 57.728 58.000 -0.348 0.000 1.260 197 F CB 0.579 39.472 39.000 -0.179 0.000 1.095 197 F HN 0.132 nan 8.300 nan 0.000 0.573 198 Q N 4.967 124.884 119.800 0.194 0.000 2.215 198 Q HA 0.251 4.591 4.340 0.000 0.000 0.256 198 Q C -1.650 174.451 176.000 0.168 0.000 0.972 198 Q CA -2.040 53.889 55.803 0.209 0.000 0.889 198 Q CB 0.869 29.780 28.738 0.289 0.000 1.281 198 Q HN 0.276 nan 8.270 nan 0.000 0.456 199 P HA -0.053 nan 4.420 nan 0.000 0.222 199 P C -0.464 176.589 177.300 -0.412 0.000 1.147 199 P CA 1.111 64.087 63.100 -0.206 0.000 0.790 199 P CB 0.202 31.679 31.700 -0.371 0.000 0.780 200 F N -0.602 119.425 119.950 0.129 0.000 2.361 200 F HA 0.276 4.803 4.527 0.000 0.000 0.364 200 F C 0.331 176.175 175.800 0.073 0.000 1.117 200 F CA -1.033 57.030 58.000 0.106 0.000 1.071 200 F CB 0.733 39.800 39.000 0.113 0.000 1.188 200 F HN -0.396 nan 8.300 nan 0.000 0.464 201 V N 4.714 124.703 119.914 0.125 0.000 2.630 201 V HA 0.509 4.629 4.120 0.000 0.000 0.305 201 V C -0.566 175.419 176.094 -0.182 0.000 1.046 201 V CA -0.795 61.471 62.300 -0.056 0.000 0.934 201 V CB 2.052 33.779 31.823 -0.160 0.000 1.003 201 V HN 0.428 nan 8.190 nan 0.000 0.451 202 L N 3.830 124.855 121.223 -0.330 0.000 2.385 202 L HA 0.661 5.001 4.340 0.000 0.000 0.273 202 L C -1.057 175.592 176.870 -0.369 0.000 0.990 202 L CA -0.036 54.624 54.840 -0.300 0.000 0.821 202 L CB 1.663 43.558 42.059 -0.273 0.000 1.279 202 L HN 0.430 nan 8.230 nan 0.000 0.412 203 F N 1.165 121.045 119.950 -0.116 0.000 2.495 203 F HA 0.774 5.301 4.527 0.000 0.000 0.327 203 F C 0.380 176.063 175.800 -0.194 0.000 1.103 203 F CA -0.701 57.212 58.000 -0.145 0.000 0.949 203 F CB 2.285 41.192 39.000 -0.156 0.000 1.142 203 F HN 0.444 nan 8.300 nan 0.000 0.457 204 T N -1.047 113.522 114.554 0.025 0.000 2.909 204 T HA 0.382 4.732 4.350 0.000 0.000 0.299 204 T C -0.288 174.388 174.700 -0.040 0.000 1.073 204 T CA -0.953 61.059 62.100 -0.146 0.000 0.999 204 T CB 1.758 70.447 68.868 -0.299 0.000 1.098 204 T HN 0.492 nan 8.240 nan 0.000 0.477 205 N N 0.296 118.959 118.700 -0.062 0.000 2.234 205 N HA 0.147 4.887 4.740 0.000 0.000 0.227 205 N C -1.038 174.541 175.510 0.115 0.000 1.151 205 N CA -0.495 52.572 53.050 0.027 0.000 0.865 205 N CB -0.013 38.484 38.487 0.017 0.000 1.066 205 N HN 0.654 nan 8.380 nan 0.000 0.515 206 Y N 0.246 120.496 120.300 -0.084 0.000 2.322 206 Y HA 0.360 4.910 4.550 0.000 0.000 0.324 206 Y C 1.254 177.221 175.900 0.112 0.000 1.027 206 Y CA -1.063 57.028 58.100 -0.015 0.000 1.179 206 Y CB 1.483 39.864 38.460 -0.131 0.000 1.136 206 Y HN -0.091 nan 8.280 nan 0.000 0.449 207 T N 4.187 118.570 114.554 -0.286 0.000 2.649 207 T HA -0.212 4.138 4.350 0.000 0.000 0.268 207 T C 2.023 176.485 174.700 -0.397 0.000 1.036 207 T CA 2.091 63.978 62.100 -0.355 0.000 1.157 207 T CB -0.004 68.511 68.868 -0.588 0.000 0.861 207 T HN 0.626 nan 8.240 nan 0.000 0.445 208 R N -0.453 119.614 120.500 -0.722 0.000 2.170 208 R HA -0.130 4.210 4.340 0.000 0.000 0.242 208 R C 2.140 178.277 176.300 -0.272 0.000 1.145 208 R CA 1.380 57.181 56.100 -0.499 0.000 0.984 208 R CB -0.502 29.458 30.300 -0.567 0.000 0.869 208 R HN 0.569 nan 8.270 nan 0.000 0.455 209 Y N -0.330 119.867 120.300 -0.172 0.000 2.274 209 Y HA -0.217 4.333 4.550 0.000 0.000 0.290 209 Y C 2.446 178.302 175.900 -0.073 0.000 1.145 209 Y CA 1.397 59.456 58.100 -0.068 0.000 1.203 209 Y CB -0.305 38.122 38.460 -0.054 0.000 0.984 209 Y HN -0.045 nan 8.280 nan 0.000 0.533 210 V N -1.652 118.272 119.914 0.016 0.000 2.548 210 V HA -0.172 3.948 4.120 0.000 0.000 0.249 210 V C 1.739 177.728 176.094 -0.175 0.000 1.055 210 V CA 2.050 64.267 62.300 -0.139 0.000 1.065 210 V CB -0.362 31.211 31.823 -0.417 0.000 0.681 210 V HN 0.221 nan 8.190 nan 0.000 0.462 211 D N 0.593 120.904 120.400 -0.147 0.000 2.092 211 D HA -0.226 4.414 4.640 0.000 0.000 0.193 211 D C 2.124 178.375 176.300 -0.082 0.000 0.994 211 D CA 2.209 56.130 54.000 -0.131 0.000 0.828 211 D CB -0.193 40.526 40.800 -0.134 0.000 0.963 211 D HN 0.649 nan 8.370 nan 0.000 0.450 212 E N 0.217 120.385 120.200 -0.054 0.000 2.085 212 E HA -0.174 4.176 4.350 0.000 0.000 0.194 212 E C 1.928 178.573 176.600 0.076 0.000 0.994 212 E CA 0.681 57.077 56.400 -0.007 0.000 0.801 212 E CB -0.528 29.148 29.700 -0.039 0.000 0.743 212 E HN 0.233 nan 8.360 nan 0.000 0.453 213 F N -0.091 119.821 119.950 -0.063 0.000 2.134 213 F HA -0.136 4.391 4.527 0.000 0.000 0.299 213 F C 1.997 177.806 175.800 0.016 0.000 1.097 213 F CA 1.291 59.283 58.000 -0.013 0.000 1.264 213 F CB -0.424 38.536 39.000 -0.067 0.000 1.001 213 F HN -0.050 nan 8.300 nan 0.000 0.479 214 V N 1.090 120.912 119.914 -0.154 0.000 2.358 214 V HA -0.262 3.858 4.120 0.000 0.000 0.246 214 V C 2.636 178.609 176.094 -0.202 0.000 1.047 214 V CA 2.128 64.269 62.300 -0.266 0.000 1.035 214 V CB -0.788 30.883 31.823 -0.253 0.000 0.658 214 V HN 0.305 nan 8.190 nan 0.000 0.452 215 R N -1.052 119.382 120.500 -0.109 0.000 2.082 215 R HA -0.271 4.069 4.340 0.000 0.000 0.234 215 R C 2.228 178.486 176.300 -0.071 0.000 1.136 215 R CA 2.597 58.654 56.100 -0.073 0.000 0.935 215 R CB -0.565 29.719 30.300 -0.026 0.000 0.842 215 R HN 0.616 nan 8.270 nan 0.000 0.430 216 W N 1.014 122.187 121.300 -0.212 0.000 2.342 216 W HA -0.112 4.548 4.660 0.000 0.000 0.297 216 W C 1.831 178.163 176.519 -0.312 0.000 1.213 216 W CA 2.057 59.272 57.345 -0.217 0.000 1.251 216 W CB -0.707 28.639 29.460 -0.190 0.000 1.136 216 W HN 0.271 nan 8.180 nan 0.000 0.526 217 G N -0.150 108.409 108.800 -0.403 0.000 2.433 217 G HA2 -0.331 3.629 3.960 0.000 0.000 0.216 217 G HA3 -0.331 3.629 3.960 0.000 0.000 0.216 217 G C 1.419 175.996 174.900 -0.539 0.000 1.186 217 G CA 1.493 46.184 45.100 -0.680 0.000 0.779 217 G HN 0.372 nan 8.290 nan 0.000 0.543 218 C N 0.343 119.426 119.300 -0.362 0.000 2.413 218 C HA -0.053 4.407 4.460 0.000 0.000 0.276 218 C C 3.390 178.213 174.990 -0.277 0.000 1.248 218 C CA 1.429 60.284 59.018 -0.271 0.000 1.742 218 C CB -0.863 26.765 27.740 -0.186 0.000 2.017 218 C HN 0.519 nan 8.230 nan 0.000 0.481 219 S N -0.111 115.410 115.700 -0.299 0.000 2.365 219 S HA -0.240 4.230 4.470 0.000 0.000 0.225 219 S C 1.967 176.365 174.600 -0.337 0.000 1.039 219 S CA 1.721 59.755 58.200 -0.277 0.000 1.033 219 S CB -0.326 62.718 63.200 -0.260 0.000 0.887 219 S HN 0.640 nan 8.310 nan 0.000 0.447 220 Q N 0.376 119.853 119.800 -0.538 0.000 2.167 220 Q HA 0.048 4.388 4.340 0.000 0.000 0.202 220 Q C 2.266 178.110 176.000 -0.261 0.000 0.970 220 Q CA 1.105 56.623 55.803 -0.476 0.000 0.855 220 Q CB -0.423 27.848 28.738 -0.779 0.000 0.911 220 Q HN 0.654 nan 8.270 nan 0.000 0.438 221 I N 0.137 120.550 120.570 -0.262 0.000 2.394 221 I HA -0.241 3.929 4.170 0.000 0.000 0.251 221 I C 1.608 177.642 176.117 -0.138 0.000 1.136 221 I CA 0.517 61.712 61.300 -0.176 0.000 1.425 221 I CB -0.083 37.798 38.000 -0.199 0.000 1.079 221 I HN 0.135 nan 8.210 nan 0.000 0.425 222 L N -0.005 121.130 121.223 -0.146 0.000 2.313 222 L HA -0.032 4.308 4.340 0.000 0.000 0.214 222 L C 0.942 177.755 176.870 -0.094 0.000 1.119 222 L CA 1.169 55.944 54.840 -0.109 0.000 0.809 222 L CB -0.903 41.093 42.059 -0.106 0.000 0.933 222 L HN 0.129 nan 8.230 nan 0.000 0.449 223 D N -0.246 120.089 120.400 -0.109 0.000 2.325 223 D HA 0.093 4.733 4.640 0.000 0.000 0.251 223 D C -1.754 174.501 176.300 -0.074 0.000 1.196 223 D CA -2.053 51.895 54.000 -0.087 0.000 0.866 223 D CB 1.719 42.461 40.800 -0.096 0.000 1.101 223 D HN -0.028 nan 8.370 nan 0.000 0.476 224 P HA -0.033 nan 4.420 nan 0.000 0.225 224 P C 0.333 177.602 177.300 -0.052 0.000 1.148 224 P CA 0.679 63.749 63.100 -0.051 0.000 0.779 224 P CB 0.386 32.062 31.700 -0.040 0.000 0.780 225 D N -1.649 118.720 120.400 -0.052 0.000 2.348 225 D HA 0.014 4.654 4.640 0.000 0.000 0.211 225 D C 0.678 176.936 176.300 -0.069 0.000 0.998 225 D CA 0.613 54.582 54.000 -0.051 0.000 0.873 225 D CB -0.013 40.764 40.800 -0.038 0.000 0.925 225 D HN 0.101 nan 8.370 nan 0.000 0.524 226 S N 1.132 116.784 115.700 -0.080 0.000 2.523 226 S HA 0.201 4.671 4.470 0.000 0.000 0.275 226 S C -1.762 172.739 174.600 -0.165 0.000 1.281 226 S CA -1.350 56.785 58.200 -0.108 0.000 1.050 226 S CB 1.722 64.883 63.200 -0.065 0.000 0.937 226 S HN -0.227 nan 8.310 nan 0.000 0.492 227 P HA 0.021 nan 4.420 nan 0.000 0.226 227 P C -0.772 176.339 177.300 -0.315 0.000 1.153 227 P CA 0.666 63.568 63.100 -0.331 0.000 0.777 227 P CB -0.058 31.383 31.700 -0.432 0.000 0.794 228 Y N 0.646 120.885 120.300 -0.101 0.000 2.531 228 Y HA 0.098 4.648 4.550 0.000 0.000 0.347 228 Y C 1.797 177.605 175.900 -0.154 0.000 1.024 228 Y CA -0.316 57.704 58.100 -0.133 0.000 1.306 228 Y CB -0.444 37.890 38.460 -0.210 0.000 1.149 228 Y HN -0.006 nan 8.280 nan 0.000 0.527 229 I N -0.555 120.016 120.570 0.002 0.000 4.181 229 I HA 0.683 4.853 4.170 0.000 0.000 0.331 229 I C 0.521 176.545 176.117 -0.155 0.000 1.312 229 I CA -0.082 61.180 61.300 -0.062 0.000 1.146 229 I CB 0.477 38.459 38.000 -0.030 0.000 1.074 229 I HN 0.427 nan 8.210 nan 0.000 0.402 230 A N 1.442 124.122 122.820 -0.232 0.000 2.609 230 A HA 0.790 5.110 4.320 0.000 0.000 0.291 230 A C -1.906 175.367 177.584 -0.519 0.000 1.096 230 A CA -0.494 51.217 52.037 -0.544 0.000 0.684 230 A CB 2.003 20.478 19.000 -0.876 0.000 1.282 230 A HN 0.229 nan 8.150 nan 0.000 0.412 231 L N 0.953 121.773 121.223 -0.672 0.000 2.471 231 L HA 0.612 4.952 4.340 0.000 0.000 0.263 231 L C -0.198 176.461 176.870 -0.352 0.000 0.985 231 L CA 0.092 54.702 54.840 -0.383 0.000 0.868 231 L CB 1.532 43.439 42.059 -0.253 0.000 1.203 231 L HN 0.695 nan 8.230 nan 0.000 0.429 232 S N 4.080 119.659 115.700 -0.202 0.000 2.499 232 S HA 0.555 5.025 4.470 0.000 0.000 0.275 232 S C -0.234 174.382 174.600 0.027 0.000 1.257 232 S CA -0.320 57.904 58.200 0.042 0.000 1.050 232 S CB -0.086 63.273 63.200 0.265 0.000 0.937 232 S HN 0.776 nan 8.310 nan 0.000 0.490 233 C N 3.966 123.264 119.300 -0.004 0.000 2.435 233 C HA 0.807 5.267 4.460 0.000 0.000 0.333 233 C C 0.819 175.547 174.990 -0.437 0.000 1.202 233 C CA -1.173 57.721 59.018 -0.207 0.000 1.830 233 C CB 0.542 28.355 27.740 0.121 0.000 2.326 233 C HN 1.008 nan 8.230 nan 0.000 0.507 234 A N 1.623 123.850 122.820 -0.989 0.000 2.522 234 A HA 0.494 4.814 4.320 0.000 0.000 0.256 234 A C 1.289 178.615 177.584 -0.431 0.000 1.086 234 A CA 0.967 52.482 52.037 -0.869 0.000 0.763 234 A CB -0.777 17.428 19.000 -1.325 0.000 1.024 234 A HN 2.154 nan 8.150 nan 0.000 0.502 235 G N 1.165 109.771 108.800 -0.322 0.000 2.436 235 G HA2 0.238 4.198 3.960 0.000 0.000 0.204 235 G HA3 0.238 4.198 3.960 0.000 0.000 0.204 235 G C 1.274 176.156 174.900 -0.031 0.000 1.026 235 G CA 0.877 45.925 45.100 -0.086 0.000 0.658 235 G HN 2.520 nan 8.290 nan 0.000 0.499 236 G N -0.157 108.626 108.800 -0.030 0.000 3.211 236 G HA2 -0.076 3.884 3.960 0.000 0.000 0.202 236 G HA3 -0.076 3.884 3.960 0.000 0.000 0.202 236 G C 0.037 175.000 174.900 0.106 0.000 1.035 236 G CA 0.562 45.686 45.100 0.040 0.000 0.846 236 G HN 0.948 nan 8.290 nan 0.000 0.464 237 N N 0.583 119.340 118.700 0.096 0.000 2.293 237 N HA 0.249 4.989 4.740 0.000 0.000 0.253 237 N C -0.461 175.178 175.510 0.215 0.000 1.248 237 N CA 0.660 53.791 53.050 0.136 0.000 0.845 237 N CB 0.214 38.764 38.487 0.105 0.000 1.073 237 N HN 0.405 nan 8.380 nan 0.000 0.464 238 W N 5.780 127.081 121.300 0.002 0.000 2.492 238 W HA 0.362 5.022 4.660 0.000 0.000 0.287 238 W C -1.570 174.936 176.519 -0.021 0.000 1.008 238 W CA -0.685 56.646 57.345 -0.022 0.000 1.557 238 W CB 0.233 29.677 29.460 -0.025 0.000 1.419 238 W HN 0.286 nan 8.180 nan 0.000 0.408 239 I N 3.944 124.360 120.570 -0.257 0.000 2.529 239 I HA 0.273 4.443 4.170 0.000 0.000 0.284 239 I C 0.854 176.720 176.117 -0.419 0.000 1.082 239 I CA 0.867 62.020 61.300 -0.244 0.000 1.406 239 I CB 1.524 39.420 38.000 -0.173 0.000 1.405 239 I HN 0.256 nan 8.210 nan 0.000 0.548 240 T N 3.283 117.691 114.554 -0.242 0.000 2.696 240 T HA 0.653 5.003 4.350 0.000 0.000 0.291 240 T C 0.858 175.488 174.700 -0.117 0.000 1.095 240 T CA 0.041 62.016 62.100 -0.209 0.000 1.026 240 T CB 1.163 69.968 68.868 -0.106 0.000 1.390 240 T HN 0.515 nan 8.240 nan 0.000 0.513 241 A N 0.525 123.292 122.820 -0.087 0.000 2.015 241 A HA 0.084 4.404 4.320 0.000 0.000 0.219 241 A C 1.184 178.745 177.584 -0.039 0.000 1.163 241 A CA 1.131 53.128 52.037 -0.066 0.000 0.646 241 A CB -0.331 18.636 19.000 -0.055 0.000 0.806 241 A HN 0.743 nan 8.150 nan 0.000 0.448 242 E N 1.086 121.276 120.200 -0.018 0.000 2.320 242 E HA 0.128 4.478 4.350 0.000 0.000 0.234 242 E C -0.651 175.953 176.600 0.007 0.000 1.290 242 E CA 0.050 56.450 56.400 0.000 0.000 1.545 242 E CB -0.536 29.176 29.700 0.019 0.000 1.379 242 E HN 0.279 nan 8.360 nan 0.000 0.437 243 T N 1.769 116.317 114.554 -0.009 0.000 2.829 243 T HA 0.171 4.521 4.350 0.000 0.000 0.282 243 T C 0.168 174.866 174.700 -0.003 0.000 0.990 243 T CA -0.702 61.397 62.100 -0.001 0.000 1.028 243 T CB 1.538 70.394 68.868 -0.019 0.000 0.951 243 T HN -0.017 nan 8.240 nan 0.000 0.460 244 E N 2.357 122.562 120.200 0.008 0.000 1.944 244 E HA 0.394 4.744 4.350 0.000 0.000 0.272 244 E C 0.347 176.948 176.600 0.003 0.000 1.195 244 E CA -0.153 56.250 56.400 0.006 0.000 0.926 244 E CB 0.015 29.723 29.700 0.013 0.000 1.051 244 E HN 0.951 nan 8.360 nan 0.000 0.404 245 A N 5.095 127.911 122.820 -0.006 0.000 1.848 245 A HA -0.109 4.211 4.320 0.000 0.000 0.241 245 A C -1.911 175.668 177.584 -0.009 0.000 1.341 245 A CA -0.415 51.617 52.037 -0.008 0.000 0.706 245 A CB -1.035 17.964 19.000 -0.001 0.000 1.189 245 A HN 0.390 nan 8.150 nan 0.000 0.259 246 P HA 0.045 nan 4.420 nan 0.000 0.299 246 P C 0.881 178.169 177.300 -0.021 0.000 1.515 246 P CA 0.645 63.726 63.100 -0.031 0.000 0.770 246 P CB 0.247 31.912 31.700 -0.059 0.000 1.614 247 E N -0.464 119.732 120.200 -0.006 0.000 2.385 247 E HA -0.105 4.245 4.350 0.000 0.000 0.194 247 E C 1.393 178.006 176.600 0.022 0.000 1.013 247 E CA 0.507 56.909 56.400 0.002 0.000 0.866 247 E CB -0.108 29.595 29.700 0.004 0.000 0.832 247 E HN 0.295 nan 8.360 nan 0.000 0.500 248 E N 1.322 121.539 120.200 0.029 0.000 2.516 248 E HA 0.013 4.363 4.350 0.000 0.000 0.199 248 E C 1.468 178.111 176.600 0.072 0.000 1.069 248 E CA 0.550 56.980 56.400 0.050 0.000 0.876 248 E CB -0.250 29.478 29.700 0.048 0.000 0.843 248 E HN 0.248 nan 8.360 nan 0.000 0.530 249 A N 0.587 123.442 122.820 0.058 0.000 1.849 249 A HA -0.174 4.146 4.320 0.000 0.000 0.216 249 A C 1.079 178.772 177.584 0.182 0.000 1.225 249 A CA 1.192 53.281 52.037 0.087 0.000 0.653 249 A CB -0.570 18.444 19.000 0.023 0.000 0.844 249 A HN 0.301 nan 8.150 nan 0.000 0.453 250 I N 1.038 121.700 120.570 0.154 0.000 2.294 250 I HA 0.104 4.274 4.170 0.000 0.000 0.295 250 I C 0.361 176.628 176.117 0.249 0.000 1.098 250 I CA -0.040 61.407 61.300 0.245 0.000 1.277 250 I CB 0.730 38.833 38.000 0.171 0.000 1.434 250 I HN 0.226 nan 8.210 nan 0.000 0.498 251 S N 4.683 120.536 115.700 0.254 0.000 2.422 251 S HA 0.066 4.536 4.470 0.000 0.000 0.283 251 S C 1.049 175.809 174.600 0.266 0.000 1.163 251 S CA -0.713 57.605 58.200 0.196 0.000 1.054 251 S CB 0.349 63.629 63.200 0.133 0.000 0.967 251 S HN 0.495 nan 8.310 nan 0.000 0.499 252 D N 4.145 124.705 120.400 0.268 0.000 2.190 252 D HA -0.123 4.517 4.640 0.000 0.000 0.200 252 D C 1.565 178.061 176.300 0.327 0.000 0.992 252 D CA 0.815 55.019 54.000 0.341 0.000 0.854 252 D CB -0.098 40.824 40.800 0.203 0.000 0.936 252 D HN 0.503 nan 8.370 nan 0.000 0.462 253 L N 0.305 121.651 121.223 0.205 0.000 2.549 253 L HA 0.030 4.370 4.340 0.000 0.000 0.229 253 L C 1.994 178.947 176.870 0.138 0.000 1.158 253 L CA 0.506 55.437 54.840 0.152 0.000 0.842 253 L CB -0.433 41.684 42.059 0.097 0.000 0.952 253 L HN -0.064 nan 8.230 nan 0.000 0.452 254 A N -1.000 121.900 122.820 0.133 0.000 1.902 254 A HA -0.221 4.099 4.320 0.000 0.000 0.217 254 A C 2.047 179.586 177.584 -0.074 0.000 1.181 254 A CA 1.668 53.691 52.037 -0.024 0.000 0.623 254 A CB -0.942 17.888 19.000 -0.282 0.000 0.818 254 A HN 0.633 nan 8.150 nan 0.000 0.443 255 W N -0.049 121.342 121.300 0.153 0.000 2.595 255 W HA -0.004 4.656 4.660 0.000 0.000 0.257 255 W C 2.152 178.708 176.519 0.062 0.000 1.267 255 W CA 1.305 58.721 57.345 0.117 0.000 1.300 255 W CB -0.126 29.399 29.460 0.108 0.000 1.120 255 W HN 0.489 nan 8.180 nan 0.000 0.618 256 K N 1.720 122.242 120.400 0.204 0.000 2.166 256 K HA -0.112 4.208 4.320 0.000 0.000 0.201 256 K C 1.876 178.467 176.600 -0.015 0.000 1.052 256 K CA 1.180 57.528 56.287 0.101 0.000 0.969 256 K CB 0.025 32.578 32.500 0.088 0.000 0.761 256 K HN 0.059 nan 8.250 nan 0.000 0.459 257 K N -0.926 119.400 120.400 -0.123 0.000 2.367 257 K HA 0.080 4.400 4.320 0.000 0.000 0.194 257 K C -0.449 175.703 176.600 -0.747 0.000 1.027 257 K CA 0.136 56.193 56.287 -0.382 0.000 1.075 257 K CB 0.206 32.445 32.500 -0.434 0.000 0.845 257 K HN 0.113 nan 8.250 nan 0.000 0.529 258 H N 0.860 119.874 119.070 -0.092 0.000 2.689 258 H HA 0.169 4.725 4.556 0.000 0.000 0.346 258 H C -0.892 174.390 175.328 -0.076 0.000 1.037 258 H CA -0.814 55.146 56.048 -0.147 0.000 1.234 258 H CB 1.924 31.554 29.762 -0.221 0.000 1.572 258 H HN 0.049 nan 8.280 nan 0.000 0.524 262 A N 1.460 123.833 122.820 -0.745 0.000 2.350 262 A HA 0.952 5.272 4.320 0.000 0.000 0.318 262 A C -1.627 175.349 177.584 -1.014 0.000 1.132 262 A CA -0.545 51.132 52.037 -0.601 0.000 0.811 262 A CB 1.565 20.280 19.000 -0.476 0.000 1.313 262 A HN 0.449 nan 8.150 nan 0.000 0.454 263 W N 1.251 122.191 121.300 -0.599 0.000 3.042 263 W HA 0.355 5.015 4.660 0.000 0.000 0.337 263 W C -1.184 175.035 176.519 -0.500 0.000 1.086 263 W CA -0.299 56.805 57.345 -0.402 0.000 1.236 263 W CB 1.581 31.044 29.460 0.005 0.000 1.381 263 W HN 0.708 nan 8.180 nan 0.000 0.472 264 H N 4.123 123.267 119.070 0.123 0.000 2.539 264 H HA 0.343 4.899 4.556 0.000 0.000 0.332 264 H C -0.381 174.991 175.328 0.073 0.000 1.031 264 H CA -0.679 55.415 56.048 0.076 0.000 1.206 264 H CB 2.672 32.401 29.762 -0.055 0.000 1.446 264 H HN 0.150 nan 8.280 nan 0.000 0.496 265 L N 5.719 127.079 121.223 0.229 0.000 2.288 265 L HA 0.311 4.651 4.340 0.000 0.000 0.283 265 L C -0.060 176.921 176.870 0.185 0.000 1.072 265 L CA -0.392 54.468 54.840 0.033 0.000 0.862 265 L CB -0.070 41.871 42.059 -0.196 0.000 1.245 265 L HN 0.461 nan 8.230 nan 0.000 0.432 266 I N 2.742 123.380 120.570 0.113 0.000 2.612 266 I HA 0.304 4.474 4.170 0.000 0.000 0.295 266 I C 0.728 176.951 176.117 0.176 0.000 1.011 266 I CA -0.230 61.161 61.300 0.151 0.000 1.326 266 I CB 1.736 39.770 38.000 0.057 0.000 1.427 266 I HN 0.493 nan 8.210 nan 0.000 0.537 267 T N 0.538 115.177 114.554 0.141 0.000 2.916 267 T HA 0.576 4.926 4.350 0.000 0.000 0.292 267 T C 0.669 175.400 174.700 0.052 0.000 1.064 267 T CA -0.329 61.801 62.100 0.051 0.000 1.011 267 T CB 1.839 70.698 68.868 -0.014 0.000 1.152 267 T HN 0.606 nan 8.240 nan 0.000 0.510 268 A N 1.265 124.097 122.820 0.021 0.000 1.908 268 A HA -0.079 4.241 4.320 0.000 0.000 0.218 268 A C 1.759 179.369 177.584 0.043 0.000 1.181 268 A CA 1.939 53.997 52.037 0.034 0.000 0.627 268 A CB -0.999 18.010 19.000 0.014 0.000 0.818 268 A HN 0.970 nan 8.150 nan 0.000 0.445 269 D N -1.297 119.124 120.400 0.035 0.000 2.319 269 D HA 0.251 4.891 4.640 0.000 0.000 0.230 269 D C 0.977 177.320 176.300 0.071 0.000 1.094 269 D CA 0.591 54.618 54.000 0.046 0.000 0.856 269 D CB -1.016 39.805 40.800 0.035 0.000 0.915 269 D HN 0.805 nan 8.370 nan 0.000 0.517 270 G N 1.254 110.107 108.800 0.089 0.000 2.350 270 G HA2 -0.264 3.696 3.960 0.000 0.000 0.298 270 G HA3 -0.264 3.696 3.960 0.000 0.000 0.298 270 G C 0.170 175.167 174.900 0.163 0.000 1.037 270 G CA -0.090 45.081 45.100 0.118 0.000 1.074 270 G HN 0.357 nan 8.290 nan 0.000 0.511 271 Q N -0.661 119.257 119.800 0.196 0.000 2.144 271 Q HA 0.334 4.674 4.340 0.000 0.000 0.305 271 Q C 1.296 177.499 176.000 0.338 0.000 0.876 271 Q CA 0.286 56.276 55.803 0.312 0.000 1.130 271 Q CB 0.694 29.573 28.738 0.235 0.000 1.267 271 Q HN 0.621 nan 8.270 nan 0.000 0.433 272 G N 0.528 109.541 108.800 0.355 0.000 2.514 272 G HA2 0.578 4.538 3.960 0.000 0.000 0.245 272 G HA3 0.578 4.538 3.960 0.000 0.000 0.245 272 G C -0.059 175.139 174.900 0.495 0.000 1.488 272 G CA -0.328 45.056 45.100 0.474 0.000 1.063 272 G HN 0.204 nan 8.290 nan 0.000 0.557 273 I N -0.522 120.315 120.570 0.446 0.000 2.533 273 I HA 0.312 4.482 4.170 0.000 0.000 0.290 273 I C -0.647 175.665 176.117 0.325 0.000 1.056 273 I CA -0.418 61.111 61.300 0.383 0.000 1.057 273 I CB 2.593 40.819 38.000 0.376 0.000 1.240 273 I HN 0.229 nan 8.210 nan 0.000 0.423 274 T N 6.448 121.121 114.554 0.198 0.000 2.797 274 T HA 0.546 4.896 4.350 0.000 0.000 0.279 274 T C -0.816 173.781 174.700 -0.171 0.000 0.991 274 T CA -0.367 61.784 62.100 0.085 0.000 0.979 274 T CB 1.551 70.533 68.868 0.190 0.000 0.943 274 T HN 0.257 nan 8.240 nan 0.000 0.444 275 L N 5.192 126.215 121.223 -0.333 0.000 2.333 275 L HA 0.761 5.101 4.340 0.000 0.000 0.280 275 L C -1.271 175.501 176.870 -0.165 0.000 1.004 275 L CA -0.550 54.031 54.840 -0.432 0.000 0.820 275 L CB 1.398 42.887 42.059 -0.949 0.000 1.247 275 L HN 0.421 nan 8.230 nan 0.000 0.416 276 V N 4.764 124.643 119.914 -0.058 0.000 2.487 276 V HA 0.398 4.518 4.120 0.000 0.000 0.298 276 V C -0.029 176.180 176.094 0.193 0.000 1.028 276 V CA -0.706 61.663 62.300 0.114 0.000 0.860 276 V CB 1.564 33.538 31.823 0.253 0.000 0.991 276 V HN 0.835 nan 8.190 nan 0.000 0.427 277 N N 4.289 123.123 118.700 0.223 0.000 2.602 277 N HA 0.225 4.965 4.740 0.000 0.000 0.238 277 N C 1.259 176.873 175.510 0.175 0.000 1.084 277 N CA -0.377 52.818 53.050 0.241 0.000 0.952 277 N CB 0.696 39.441 38.487 0.429 0.000 1.244 277 N HN 0.875 nan 8.380 nan 0.000 0.512 278 I N 0.835 121.461 120.570 0.093 0.000 3.001 278 I HA 0.176 4.346 4.170 0.000 0.000 0.268 278 I C 1.083 177.199 176.117 -0.002 0.000 1.267 278 I CA 0.351 61.642 61.300 -0.016 0.000 1.472 278 I CB -0.594 37.291 38.000 -0.192 0.000 1.089 278 I HN 0.591 nan 8.210 nan 0.000 0.468 279 G N 1.164 110.003 108.800 0.065 0.000 2.512 279 G HA2 -0.225 3.735 3.960 0.000 0.000 0.240 279 G HA3 -0.225 3.735 3.960 0.000 0.000 0.240 279 G C -0.425 174.495 174.900 0.033 0.000 1.246 279 G CA 0.066 45.211 45.100 0.074 0.000 0.919 279 G HN 0.850 nan 8.290 nan 0.000 0.577 280 V N 0.213 120.144 119.914 0.029 0.000 2.709 280 V HA 0.948 5.068 4.120 0.000 0.000 0.308 280 V C 0.429 176.526 176.094 0.004 0.000 1.062 280 V CA 1.306 63.619 62.300 0.021 0.000 0.901 280 V CB 1.188 33.041 31.823 0.050 0.000 1.003 280 V HN 3.088 nan 8.190 nan 0.000 0.425 281 G N 5.761 114.557 108.800 -0.007 0.000 2.576 281 G HA2 0.015 3.975 3.960 0.000 0.000 0.686 281 G HA3 0.015 3.975 3.960 0.000 0.000 0.686 281 G C -2.803 172.068 174.900 -0.048 0.000 1.242 281 G CA -0.130 44.964 45.100 -0.010 0.000 0.819 281 G HN 0.637 nan 8.290 nan 0.000 0.655 282 P HA 0.026 nan 4.420 nan 0.000 0.219 282 P C 2.070 179.326 177.300 -0.074 0.000 1.150 282 P CA 1.686 64.745 63.100 -0.068 0.000 0.814 282 P CB 0.165 31.838 31.700 -0.046 0.000 0.787 283 S N -0.073 115.601 115.700 -0.044 0.000 2.359 283 S HA -0.210 4.260 4.470 0.000 0.000 0.224 283 S C 1.699 176.247 174.600 -0.088 0.000 1.035 283 S CA 1.944 60.118 58.200 -0.043 0.000 1.018 283 S CB -1.310 61.883 63.200 -0.013 0.000 0.876 283 S HN 0.350 nan 8.310 nan 0.000 0.448 284 N N 1.448 120.085 118.700 -0.105 0.000 2.216 284 N HA 0.084 4.824 4.740 0.000 0.000 0.183 284 N C 1.887 177.260 175.510 -0.229 0.000 1.017 284 N CA 0.833 53.785 53.050 -0.163 0.000 0.861 284 N CB -0.248 38.164 38.487 -0.124 0.000 0.986 284 N HN 0.391 nan 8.380 nan 0.000 0.428 285 A N 1.668 124.352 122.820 -0.226 0.000 1.902 285 A HA -0.179 4.141 4.320 0.000 0.000 0.217 285 A C 2.082 179.485 177.584 -0.302 0.000 1.181 285 A CA 1.281 53.120 52.037 -0.330 0.000 0.623 285 A CB -0.433 18.387 19.000 -0.300 0.000 0.818 285 A HN 0.203 nan 8.150 nan 0.000 0.443 286 K N -0.755 119.528 120.400 -0.195 0.000 2.026 286 K HA -0.139 4.181 4.320 0.000 0.000 0.208 286 K C 2.030 178.537 176.600 -0.155 0.000 1.048 286 K CA 1.889 58.095 56.287 -0.134 0.000 0.929 286 K CB -0.409 32.047 32.500 -0.073 0.000 0.713 286 K HN 0.429 nan 8.250 nan 0.000 0.439 287 T N 1.829 116.270 114.554 -0.189 0.000 2.652 287 T HA -0.195 4.155 4.350 0.000 0.000 0.267 287 T C 1.809 176.321 174.700 -0.315 0.000 1.039 287 T CA 1.594 63.547 62.100 -0.244 0.000 1.153 287 T CB -0.269 68.436 68.868 -0.273 0.000 0.863 287 T HN 0.222 nan 8.240 nan 0.000 0.428 288 I N 0.748 121.135 120.570 -0.305 0.000 2.286 288 I HA -0.125 4.045 4.170 0.000 0.000 0.248 288 I C 2.352 178.343 176.117 -0.209 0.000 1.115 288 I CA 0.882 62.050 61.300 -0.220 0.000 1.392 288 I CB -0.471 37.383 38.000 -0.244 0.000 1.065 288 I HN 0.310 nan 8.210 nan 0.000 0.418 289 C N 0.329 119.451 119.300 -0.298 0.000 2.440 289 C HA -0.112 4.348 4.460 0.000 0.000 0.278 289 C C 2.374 177.336 174.990 -0.047 0.000 1.295 289 C CA 0.619 59.502 59.018 -0.225 0.000 1.738 289 C CB -1.240 26.380 27.740 -0.199 0.000 1.987 289 C HN 0.506 nan 8.230 nan 0.000 0.492 290 D N 0.113 120.435 120.400 -0.130 0.000 2.133 290 D HA -0.131 4.509 4.640 0.000 0.000 0.195 290 D C 1.943 177.965 176.300 -0.463 0.000 0.997 290 D CA 1.443 55.290 54.000 -0.255 0.000 0.840 290 D CB -0.378 40.221 40.800 -0.334 0.000 0.947 290 D HN 0.622 nan 8.370 nan 0.000 0.452 291 H N -0.278 118.696 119.070 -0.159 0.000 2.370 291 H HA 0.116 4.672 4.556 0.000 0.000 0.304 291 H C 2.436 177.614 175.328 -0.251 0.000 1.055 291 H CA 0.060 55.972 56.048 -0.227 0.000 1.373 291 H CB -0.576 29.091 29.762 -0.159 0.000 1.423 291 H HN 0.111 nan 8.280 nan 0.000 0.533 292 L N 0.905 122.110 121.223 -0.030 0.000 2.127 292 L HA -0.179 4.161 4.340 0.000 0.000 0.211 292 L C 2.585 179.499 176.870 0.074 0.000 1.089 292 L CA 0.939 55.789 54.840 0.016 0.000 0.757 292 L CB -0.369 41.785 42.059 0.159 0.000 0.899 292 L HN 0.213 nan 8.230 nan 0.000 0.434 293 A N -0.443 122.400 122.820 0.039 0.000 1.986 293 A HA -0.227 4.093 4.320 0.000 0.000 0.220 293 A C 2.172 179.650 177.584 -0.176 0.000 1.171 293 A CA 1.959 53.976 52.037 -0.034 0.000 0.640 293 A CB -1.005 17.703 19.000 -0.486 0.000 0.811 293 A HN 0.456 nan 8.150 nan 0.000 0.451 294 V N -2.608 117.019 119.914 -0.479 0.000 2.913 294 V HA -0.041 4.079 4.120 0.000 0.000 0.260 294 V C 1.865 177.903 176.094 -0.093 0.000 1.098 294 V CA 1.664 63.684 62.300 -0.467 0.000 1.121 294 V CB -0.783 30.686 31.823 -0.590 0.000 0.714 294 V HN 0.450 nan 8.190 nan 0.000 0.487 295 L N -0.343 120.838 121.223 -0.070 0.000 2.599 295 L HA 0.274 4.614 4.340 0.000 0.000 0.230 295 L C 0.911 177.742 176.870 -0.065 0.000 1.141 295 L CA -0.073 54.752 54.840 -0.024 0.000 0.877 295 L CB -0.254 41.733 42.059 -0.120 0.000 1.009 295 L HN 0.322 nan 8.230 nan 0.000 0.447 296 R N -1.504 118.954 120.500 -0.070 0.000 3.205 296 R HA -0.135 4.205 4.340 0.000 0.000 0.249 296 R C -2.242 174.007 176.300 -0.084 0.000 0.937 296 R CA -0.001 56.037 56.100 -0.104 0.000 0.641 296 R CB -2.301 27.818 30.300 -0.301 0.000 1.114 296 R HN 0.235 nan 8.270 nan 0.000 0.451 297 P HA -0.004 nan 4.420 nan 0.000 0.270 297 P C 0.739 177.957 177.300 -0.138 0.000 1.221 297 P CA -0.147 62.911 63.100 -0.070 0.000 0.788 297 P CB 0.522 32.247 31.700 0.041 0.000 0.904 298 D N -0.839 119.416 120.400 -0.242 0.000 2.327 298 D HA 0.121 4.761 4.640 0.000 0.000 0.205 298 D C 0.188 176.366 176.300 -0.203 0.000 0.989 298 D CA 0.868 54.758 54.000 -0.183 0.000 0.873 298 D CB 0.578 41.099 40.800 -0.466 0.000 0.955 298 D HN 0.080 nan 8.370 nan 0.000 0.515 299 V N 0.248 120.037 119.914 -0.208 0.000 3.155 299 V HA 0.420 4.540 4.120 0.000 0.000 0.272 299 V C -2.205 173.928 176.094 0.066 0.000 1.639 299 V CA -0.938 61.293 62.300 -0.116 0.000 1.006 299 V CB 1.594 33.425 31.823 0.014 0.000 1.244 299 V HN 0.135 nan 8.190 nan 0.000 0.458 300 W N 6.149 127.484 121.300 0.059 0.000 2.957 300 W HA 0.881 5.541 4.660 0.000 0.000 0.336 300 W C -2.110 174.474 176.519 0.109 0.000 1.087 300 W CA -1.369 55.975 57.345 -0.002 0.000 1.235 300 W CB 0.699 30.136 29.460 -0.039 0.000 1.399 300 W HN 0.525 nan 8.180 nan 0.000 0.480 304 G N 2.943 111.690 108.800 -0.089 0.000 2.682 304 G HA2 0.537 4.497 3.960 0.000 0.000 0.303 304 G HA3 0.537 4.497 3.960 0.000 0.000 0.303 304 G C -1.306 173.758 174.900 0.274 0.000 1.341 304 G CA -0.680 44.371 45.100 -0.082 0.000 0.784 304 G HN 0.413 nan 8.290 nan 0.000 0.497 305 H N -1.635 117.491 119.070 0.093 0.000 2.546 305 H HA 0.532 5.088 4.556 0.000 0.000 0.365 305 H C 0.243 175.604 175.328 0.056 0.000 1.220 305 H CA 0.078 56.170 56.048 0.074 0.000 1.386 305 H CB 1.488 31.237 29.762 -0.020 0.000 1.510 305 H HN 0.805 nan 8.280 nan 0.000 0.591 306 C N -0.107 119.280 119.300 0.146 0.000 3.306 306 C HA 0.667 5.127 4.460 0.000 0.000 0.335 306 C C 0.191 175.210 174.990 0.048 0.000 1.382 306 C CA -0.890 58.181 59.018 0.087 0.000 1.254 306 C CB 0.649 28.427 27.740 0.064 0.000 1.555 306 C HN 0.953 nan 8.230 nan 0.000 0.463 307 G N 0.446 109.286 108.800 0.067 0.000 2.332 307 G HA2 0.605 4.565 3.960 0.000 0.000 0.310 307 G HA3 0.605 4.565 3.960 0.000 0.000 0.310 307 G C 0.232 175.158 174.900 0.043 0.000 1.123 307 G CA 0.135 45.286 45.100 0.085 0.000 0.873 307 G HN 1.566 nan 8.290 nan 0.000 0.460 308 G N 0.636 109.458 108.800 0.036 0.000 2.390 308 G HA2 0.423 4.383 3.960 0.000 0.000 0.270 308 G HA3 0.423 4.383 3.960 0.000 0.000 0.270 308 G C 0.668 175.615 174.900 0.078 0.000 1.211 308 G CA -0.588 44.523 45.100 0.019 0.000 0.842 308 G HN 0.567 nan 8.290 nan 0.000 0.519 309 L N 1.514 122.767 121.223 0.051 0.000 2.664 309 L HA 0.285 4.625 4.340 0.000 0.000 0.233 309 L C 0.802 177.805 176.870 0.221 0.000 1.113 309 L CA -0.148 54.766 54.840 0.122 0.000 0.896 309 L CB -0.039 42.020 42.059 0.001 0.000 1.163 309 L HN 0.248 nan 8.230 nan 0.000 0.497 310 R N 0.792 121.365 120.500 0.122 0.000 2.474 310 R HA 0.137 4.477 4.340 0.000 0.000 0.295 310 R C 0.940 177.168 176.300 -0.120 0.000 0.980 310 R CA -0.300 55.846 56.100 0.077 0.000 0.934 310 R CB 1.436 31.738 30.300 0.003 0.000 1.101 310 R HN 0.105 nan 8.270 nan 0.000 0.469 311 E N 0.825 120.855 120.200 -0.283 0.000 2.118 311 E HA -0.197 4.153 4.350 0.000 0.000 0.195 311 E C 1.021 177.428 176.600 -0.322 0.000 0.992 311 E CA 2.001 58.006 56.400 -0.658 0.000 0.804 311 E CB -0.182 29.309 29.700 -0.349 0.000 0.741 311 E HN 0.527 nan 8.360 nan 0.000 0.458 312 S N -0.668 114.931 115.700 -0.168 0.000 2.555 312 S HA -0.101 4.369 4.470 0.000 0.000 0.230 312 S C 0.804 175.337 174.600 -0.112 0.000 0.978 312 S CA -0.054 58.077 58.200 -0.115 0.000 0.934 312 S CB -0.307 62.851 63.200 -0.070 0.000 0.766 312 S HN 0.292 nan 8.310 nan 0.000 0.533 313 Q N 0.944 120.668 119.800 -0.127 0.000 2.293 313 Q HA 0.663 5.003 4.340 0.000 0.000 0.251 313 Q C -0.545 175.385 176.000 -0.117 0.000 0.930 313 Q CA -0.261 55.477 55.803 -0.107 0.000 0.893 313 Q CB 1.440 30.128 28.738 -0.084 0.000 1.215 313 Q HN 0.541 nan 8.270 nan 0.000 0.425 314 A N 3.290 126.041 122.820 -0.116 0.000 2.350 314 A HA 0.493 4.813 4.320 0.000 0.000 0.324 314 A C -0.410 177.095 177.584 -0.132 0.000 1.118 314 A CA -0.789 51.178 52.037 -0.116 0.000 0.783 314 A CB 0.691 19.624 19.000 -0.112 0.000 1.236 314 A HN 0.810 nan 8.150 nan 0.000 0.457 315 I N 1.763 122.261 120.570 -0.119 0.000 2.821 315 I HA 0.149 4.319 4.170 0.000 0.000 0.294 315 I C 1.491 177.502 176.117 -0.176 0.000 1.210 315 I CA 2.124 63.342 61.300 -0.137 0.000 1.430 315 I CB 0.179 38.110 38.000 -0.116 0.000 1.356 315 I HN 1.124 nan 8.210 nan 0.000 0.563 316 G N 4.006 112.671 108.800 -0.225 0.000 2.218 316 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 316 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 316 G C 0.042 174.639 174.900 -0.506 0.000 0.994 316 G CA -0.428 44.493 45.100 -0.298 0.000 0.637 316 G HN 0.572 nan 8.290 nan 0.000 0.505 317 D N -0.025 120.135 120.400 -0.399 0.000 2.360 317 D HA 0.530 5.170 4.640 0.000 0.000 0.242 317 D C 0.101 176.112 176.300 -0.481 0.000 1.184 317 D CA 0.346 54.071 54.000 -0.457 0.000 0.930 317 D CB 0.338 41.000 40.800 -0.230 0.000 1.161 317 D HN 0.174 nan 8.370 nan 0.000 0.447 318 Y N -0.742 119.497 120.300 -0.102 0.000 2.420 318 Y HA 0.469 5.019 4.550 0.000 0.000 0.334 318 Y C 0.223 176.083 175.900 -0.067 0.000 1.094 318 Y CA -0.992 57.043 58.100 -0.108 0.000 1.126 318 Y CB 1.409 39.809 38.460 -0.100 0.000 1.217 318 Y HN -0.091 nan 8.280 nan 0.000 0.462 319 V N 4.330 124.324 119.914 0.133 0.000 2.483 319 V HA 0.328 4.448 4.120 0.000 0.000 0.297 319 V C -1.130 174.998 176.094 0.056 0.000 1.027 319 V CA -0.774 61.556 62.300 0.050 0.000 0.855 319 V CB 1.816 33.643 31.823 0.007 0.000 0.995 319 V HN 0.523 nan 8.190 nan 0.000 0.424 320 L N 5.481 126.721 121.223 0.028 0.000 2.276 320 L HA 0.820 5.160 4.340 0.000 0.000 0.286 320 L C 0.547 177.391 176.870 -0.042 0.000 1.024 320 L CA -0.166 54.694 54.840 0.034 0.000 0.826 320 L CB 1.012 43.115 42.059 0.073 0.000 1.211 320 L HN 0.744 nan 8.230 nan 0.000 0.422 321 A N 3.681 126.474 122.820 -0.044 0.000 2.451 321 A HA 0.336 4.656 4.320 0.000 0.000 0.266 321 A C 0.451 177.960 177.584 -0.126 0.000 1.119 321 A CA 0.212 52.140 52.037 -0.180 0.000 0.786 321 A CB -0.256 18.557 19.000 -0.312 0.000 1.061 321 A HN 0.954 nan 8.150 nan 0.000 0.503 322 H N 0.592 119.525 119.070 -0.229 0.000 2.652 322 H HA 0.625 5.181 4.556 0.000 0.000 0.274 322 H C -0.014 175.196 175.328 -0.198 0.000 1.021 322 H CA -0.127 55.827 56.048 -0.156 0.000 1.187 322 H CB -0.378 29.328 29.762 -0.093 0.000 1.505 322 H HN 0.948 nan 8.280 nan 0.000 0.530 323 A N -0.224 122.576 122.820 -0.034 0.000 2.567 323 A HA 0.590 4.910 4.320 0.000 0.000 0.291 323 A C -2.164 175.170 177.584 -0.416 0.000 1.048 323 A CA -0.902 51.019 52.037 -0.193 0.000 0.661 323 A CB 0.700 19.618 19.000 -0.137 0.000 1.288 323 A HN 0.161 nan 8.150 nan 0.000 0.424 324 Y N -0.548 119.765 120.300 0.022 0.000 2.442 324 Y HA 0.611 5.161 4.550 0.000 0.000 0.344 324 Y C -0.374 175.498 175.900 -0.047 0.000 0.976 324 Y CA -0.747 57.343 58.100 -0.017 0.000 1.040 324 Y CB 2.159 40.598 38.460 -0.035 0.000 1.228 324 Y HN 0.595 nan 8.280 nan 0.000 0.451 325 L N 4.201 125.473 121.223 0.081 0.000 2.272 325 L HA 0.507 4.847 4.340 0.000 0.000 0.284 325 L C -0.341 176.527 176.870 -0.004 0.000 1.045 325 L CA -0.752 54.097 54.840 0.015 0.000 0.842 325 L CB 0.357 42.400 42.059 -0.026 0.000 1.224 325 L HN 0.541 nan 8.230 nan 0.000 0.430 326 R N 3.537 124.026 120.500 -0.018 0.000 2.878 326 R HA 0.130 4.470 4.340 0.000 0.000 0.239 326 R C -0.454 175.776 176.300 -0.116 0.000 1.515 326 R CA 0.053 56.112 56.100 -0.068 0.000 1.210 326 R CB -0.138 30.116 30.300 -0.077 0.000 1.209 326 R HN 0.545 nan 8.270 nan 0.000 0.610 327 D N 0.859 121.166 120.400 -0.155 0.000 2.587 327 D HA -0.036 4.604 4.640 0.000 0.000 0.233 327 D C 0.379 176.417 176.300 -0.437 0.000 1.213 327 D CA 0.229 54.061 54.000 -0.279 0.000 0.827 327 D CB 0.530 41.234 40.800 -0.159 0.000 1.006 327 D HN 0.456 nan 8.370 nan 0.000 0.490 328 D N -1.088 119.125 120.400 -0.312 0.000 2.346 328 D HA -0.105 4.535 4.640 0.000 0.000 0.206 328 D C 0.870 177.086 176.300 -0.138 0.000 1.001 328 D CA 0.398 54.270 54.000 -0.215 0.000 0.871 328 D CB 0.065 40.793 40.800 -0.120 0.000 0.943 328 D HN 0.113 nan 8.370 nan 0.000 0.518 329 H N -0.528 118.534 119.070 -0.012 0.000 5.008 329 H HA -0.215 4.341 4.556 0.000 0.000 0.076 329 H C 1.841 177.160 175.328 -0.015 0.000 0.562 329 H CA 1.441 57.484 56.048 -0.008 0.000 1.089 329 H CB -1.614 28.151 29.762 0.004 0.000 0.500 329 H HN 0.239 nan 8.280 nan 0.000 0.725 330 V N 1.678 121.656 119.914 0.106 0.000 2.636 330 V HA -0.194 3.926 4.120 0.000 0.000 0.258 330 V C 2.075 178.180 176.094 0.020 0.000 1.092 330 V CA 2.449 64.778 62.300 0.048 0.000 1.110 330 V CB -0.423 31.410 31.823 0.016 0.000 0.685 330 V HN 0.362 nan 8.190 nan 0.000 0.481 331 L N -0.962 120.263 121.223 0.003 0.000 2.906 331 L HA 0.232 4.572 4.340 0.000 0.000 0.255 331 L C 1.539 178.405 176.870 -0.007 0.000 1.166 331 L CA -0.110 54.721 54.840 -0.015 0.000 0.977 331 L CB 0.160 42.187 42.059 -0.053 0.000 1.313 331 L HN 0.188 nan 8.230 nan 0.000 0.549 332 D N 1.397 121.808 120.400 0.019 0.000 2.133 332 D HA -0.203 4.437 4.640 0.000 0.000 0.195 332 D C 2.212 178.520 176.300 0.014 0.000 0.997 332 D CA 1.589 55.602 54.000 0.023 0.000 0.840 332 D CB 0.163 40.998 40.800 0.058 0.000 0.947 332 D HN 0.342 nan 8.370 nan 0.000 0.452 333 A N 0.399 123.229 122.820 0.016 0.000 1.930 333 A HA -0.096 4.224 4.320 0.000 0.000 0.217 333 A C 2.322 179.913 177.584 0.011 0.000 1.175 333 A CA 1.824 53.869 52.037 0.014 0.000 0.627 333 A CB -0.454 18.556 19.000 0.016 0.000 0.815 333 A HN 0.259 nan 8.150 nan 0.000 0.443 334 V N -4.398 115.521 119.914 0.007 0.000 3.471 334 V HA 0.449 4.569 4.120 0.000 0.000 0.258 334 V C 0.444 176.538 176.094 -0.001 0.000 1.192 334 V CA 0.417 62.721 62.300 0.006 0.000 1.116 334 V CB 0.104 31.930 31.823 0.005 0.000 0.792 334 V HN 0.293 nan 8.190 nan 0.000 0.459 335 L N 1.778 122.995 121.223 -0.010 0.000 2.563 335 L HA 0.679 5.019 4.340 0.000 0.000 0.259 335 L C -2.939 173.916 176.870 -0.025 0.000 1.034 335 L CA -1.703 53.127 54.840 -0.017 0.000 0.899 335 L CB 1.517 43.551 42.059 -0.042 0.000 1.159 335 L HN -0.018 nan 8.230 nan 0.000 0.456 336 P HA 0.101 nan 4.420 nan 0.000 0.264 336 P C -2.078 175.208 177.300 -0.024 0.000 1.179 336 P CA -0.662 62.433 63.100 -0.008 0.000 0.763 336 P CB 0.198 31.898 31.700 -0.000 0.000 0.806 337 P HA -0.171 nan 4.420 nan 0.000 0.223 337 P C 0.726 178.010 177.300 -0.026 0.000 1.144 337 P CA 1.337 64.422 63.100 -0.025 0.000 0.783 337 P CB -0.189 31.509 31.700 -0.003 0.000 0.771 338 D N -1.582 118.808 120.400 -0.018 0.000 2.349 338 D HA -0.039 4.601 4.640 0.000 0.000 0.215 338 D C 0.510 176.797 176.300 -0.022 0.000 1.016 338 D CA 0.193 54.185 54.000 -0.014 0.000 0.870 338 D CB -0.166 40.632 40.800 -0.003 0.000 0.917 338 D HN 0.088 nan 8.370 nan 0.000 0.524 339 I N 3.750 124.297 120.570 -0.038 0.000 2.452 339 I HA 0.128 4.298 4.170 0.000 0.000 0.287 339 I C -1.979 174.076 176.117 -0.103 0.000 1.079 339 I CA -2.245 59.026 61.300 -0.049 0.000 1.387 339 I CB 0.179 38.148 38.000 -0.052 0.000 1.404 339 I HN -0.126 nan 8.210 nan 0.000 0.522 340 P HA 0.177 nan 4.420 nan 0.000 0.271 340 P C -0.619 176.573 177.300 -0.181 0.000 1.226 340 P CA -0.215 62.836 63.100 -0.082 0.000 0.765 340 P CB 1.049 32.738 31.700 -0.019 0.000 0.835 341 I N 6.475 126.940 120.570 -0.174 0.000 2.287 341 I HA 0.232 4.402 4.170 0.000 0.000 0.290 341 I C -1.230 174.943 176.117 0.093 0.000 1.069 341 I CA -2.502 58.667 61.300 -0.218 0.000 1.237 341 I CB 0.452 38.322 38.000 -0.215 0.000 1.418 341 I HN 0.267 nan 8.210 nan 0.000 0.481 342 P HA 0.280 nan 4.420 nan 0.000 0.279 342 P C -0.396 177.073 177.300 0.281 0.000 1.282 342 P CA -0.383 62.830 63.100 0.190 0.000 0.788 342 P CB 1.039 32.837 31.700 0.162 0.000 1.139 343 S N -0.103 115.685 115.700 0.148 0.000 2.525 343 S HA 0.408 4.878 4.470 0.000 0.000 0.290 343 S C 0.227 174.817 174.600 -0.017 0.000 1.152 343 S CA -0.582 57.678 58.200 0.100 0.000 1.072 343 S CB 0.305 63.545 63.200 0.067 0.000 1.027 343 S HN 0.217 nan 8.310 nan 0.000 0.500 344 I N 3.078 123.562 120.570 -0.144 0.000 2.301 344 I HA 0.214 4.384 4.170 0.000 0.000 0.292 344 I C 1.421 177.489 176.117 -0.082 0.000 1.046 344 I CA -0.533 60.665 61.300 -0.170 0.000 1.282 344 I CB -0.151 37.656 38.000 -0.322 0.000 1.409 344 I HN 0.802 nan 8.210 nan 0.000 0.484 345 A N 6.201 128.992 122.820 -0.048 0.000 1.884 345 A HA -0.217 4.103 4.320 0.000 0.000 0.219 345 A C 1.949 179.523 177.584 -0.017 0.000 1.197 345 A CA 1.763 53.784 52.037 -0.026 0.000 0.637 345 A CB -0.361 18.626 19.000 -0.021 0.000 0.827 345 A HN 0.702 nan 8.150 nan 0.000 0.450 346 E N -0.328 119.861 120.200 -0.019 0.000 2.085 346 E HA -0.119 4.231 4.350 0.000 0.000 0.194 346 E C 1.912 178.518 176.600 0.010 0.000 0.994 346 E CA 1.340 57.741 56.400 0.002 0.000 0.801 346 E CB -0.582 29.121 29.700 0.006 0.000 0.743 346 E HN 0.376 nan 8.360 nan 0.000 0.453 347 V N 1.126 121.032 119.914 -0.015 0.000 2.427 347 V HA -0.225 3.895 4.120 0.000 0.000 0.248 347 V C 2.190 178.306 176.094 0.036 0.000 1.051 347 V CA 1.456 63.760 62.300 0.007 0.000 1.048 347 V CB -0.476 31.326 31.823 -0.035 0.000 0.666 347 V HN 0.242 nan 8.190 nan 0.000 0.456 348 Q N 0.186 120.002 119.800 0.026 0.000 2.084 348 Q HA -0.162 4.178 4.340 0.000 0.000 0.202 348 Q C 2.433 178.480 176.000 0.079 0.000 0.978 348 Q CA 1.560 57.393 55.803 0.049 0.000 0.844 348 Q CB -0.349 28.402 28.738 0.022 0.000 0.898 348 Q HN 0.618 nan 8.270 nan 0.000 0.426 349 R N 0.280 120.816 120.500 0.060 0.000 2.075 349 R HA -0.026 4.314 4.340 0.000 0.000 0.232 349 R C 2.330 178.711 176.300 0.134 0.000 1.126 349 R CA 1.085 57.245 56.100 0.100 0.000 0.963 349 R CB -0.450 29.886 30.300 0.060 0.000 0.858 349 R HN 0.210 nan 8.270 nan 0.000 0.435 350 A N 1.411 124.283 122.820 0.087 0.000 1.883 350 A HA -0.173 4.147 4.320 0.000 0.000 0.217 350 A C 2.058 179.685 177.584 0.072 0.000 1.186 350 A CA 1.255 53.335 52.037 0.072 0.000 0.624 350 A CB -0.446 18.590 19.000 0.060 0.000 0.822 350 A HN 0.100 nan 8.150 nan 0.000 0.444 351 L N -1.973 119.301 121.223 0.085 0.000 2.083 351 L HA -0.117 4.223 4.340 0.000 0.000 0.209 351 L C 2.301 179.220 176.870 0.082 0.000 1.083 351 L CA 1.774 56.657 54.840 0.072 0.000 0.752 351 L CB -1.399 40.713 42.059 0.088 0.000 0.899 351 L HN 0.608 nan 8.230 nan 0.000 0.433 352 Y N 0.652 120.954 120.300 0.003 0.000 2.109 352 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 352 Y C 2.405 178.306 175.900 0.002 0.000 1.131 352 Y CA 1.805 59.908 58.100 0.004 0.000 1.121 352 Y CB -0.178 38.288 38.460 0.009 0.000 0.987 352 Y HN 0.244 nan 8.280 nan 0.000 0.495 353 D N 0.181 120.623 120.400 0.071 0.000 2.104 353 D HA -0.205 4.435 4.640 0.000 0.000 0.194 353 D C 2.291 178.546 176.300 -0.074 0.000 0.994 353 D CA 1.632 55.620 54.000 -0.021 0.000 0.830 353 D CB -0.797 40.039 40.800 0.060 0.000 0.959 353 D HN 0.463 nan 8.370 nan 0.000 0.452 354 A N 0.351 123.147 122.820 -0.039 0.000 1.978 354 A HA -0.194 4.126 4.320 0.000 0.000 0.220 354 A C 2.349 179.877 177.584 -0.093 0.000 1.170 354 A CA 2.164 54.170 52.037 -0.052 0.000 0.636 354 A CB -0.868 18.110 19.000 -0.036 0.000 0.810 354 A HN 0.244 nan 8.150 nan 0.000 0.448 355 T N -0.423 114.049 114.554 -0.136 0.000 2.821 355 T HA -0.087 4.263 4.350 0.000 0.000 0.267 355 T C 1.933 176.541 174.700 -0.152 0.000 1.046 355 T CA 1.525 63.526 62.100 -0.164 0.000 1.139 355 T CB -0.113 68.645 68.868 -0.183 0.000 0.871 355 T HN 0.535 nan 8.240 nan 0.000 0.454 356 K N 0.709 120.975 120.400 -0.223 0.000 1.985 356 K HA 0.004 4.324 4.320 0.000 0.000 0.210 356 K C 2.213 178.758 176.600 -0.091 0.000 1.047 356 K CA 1.068 57.245 56.287 -0.183 0.000 0.932 356 K CB -0.438 31.931 32.500 -0.218 0.000 0.716 356 K HN 0.259 nan 8.250 nan 0.000 0.439 357 L N 0.580 121.759 121.223 -0.073 0.000 1.933 357 L HA -0.265 4.075 4.340 0.000 0.000 0.220 357 L C 2.448 179.301 176.870 -0.027 0.000 1.078 357 L CA 1.401 56.218 54.840 -0.039 0.000 0.773 357 L CB -1.040 41.002 42.059 -0.028 0.000 0.890 357 L HN 0.013 nan 8.230 nan 0.000 0.434 358 V N -0.852 119.044 119.914 -0.030 0.000 2.252 358 V HA -0.252 3.868 4.120 0.000 0.000 0.249 358 V C 1.541 177.638 176.094 0.006 0.000 1.056 358 V CA 1.750 64.041 62.300 -0.015 0.000 1.022 358 V CB -0.499 31.307 31.823 -0.028 0.000 0.641 358 V HN 0.425 nan 8.190 nan 0.000 0.445 359 S N -0.183 115.524 115.700 0.011 0.000 2.485 359 S HA 0.476 4.946 4.470 0.000 0.000 0.312 359 S C 0.630 175.243 174.600 0.022 0.000 1.102 359 S CA 0.268 58.500 58.200 0.054 0.000 1.066 359 S CB -0.802 62.482 63.200 0.139 0.000 1.102 359 S HN 1.087 nan 8.310 nan 0.000 0.519 360 G N 5.207 114.017 108.800 0.016 0.000 2.578 360 G HA2 -0.255 3.705 3.960 0.000 0.000 0.275 360 G HA3 -0.255 3.705 3.960 0.000 0.000 0.275 360 G C -0.269 174.627 174.900 -0.007 0.000 1.271 360 G CA 0.112 45.214 45.100 0.003 0.000 0.941 360 G HN 0.990 nan 8.290 nan 0.000 0.564 361 R N 0.702 121.196 120.500 -0.010 0.000 2.500 361 R HA 0.589 4.929 4.340 0.000 0.000 0.275 361 R C -2.168 174.119 176.300 -0.022 0.000 1.051 361 R CA -1.434 54.659 56.100 -0.012 0.000 1.088 361 R CB -0.362 29.934 30.300 -0.007 0.000 1.063 361 R HN 0.389 nan 8.270 nan 0.000 0.511 362 P HA 0.147 nan 4.420 nan 0.000 0.335 362 P C 0.165 177.455 177.300 -0.016 0.000 1.416 362 P CA 0.641 63.722 63.100 -0.032 0.000 0.828 362 P CB -0.154 31.535 31.700 -0.019 0.000 1.966 363 G N -0.177 108.624 108.800 0.002 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 0.469 175.392 174.900 0.038 0.000 1.331 363 G CA 0.335 45.448 45.100 0.021 0.000 0.890 363 G HN 0.627 nan 8.290 nan 0.000 0.572 364 E N 0.513 120.739 120.200 0.044 0.000 2.476 364 E HA 0.043 4.393 4.350 0.000 0.000 0.191 364 E C 1.600 178.225 176.600 0.043 0.000 1.064 364 E CA 1.220 57.657 56.400 0.062 0.000 0.866 364 E CB 0.116 29.847 29.700 0.052 0.000 0.952 364 E HN 0.814 nan 8.360 nan 0.000 0.492 365 E N 1.202 121.415 120.200 0.021 0.000 2.274 365 E HA -0.117 4.233 4.350 0.000 0.000 0.194 365 E C 1.968 178.571 176.600 0.005 0.000 0.996 365 E CA 1.118 57.523 56.400 0.009 0.000 0.840 365 E CB 0.024 29.723 29.700 -0.000 0.000 0.772 365 E HN 0.213 nan 8.360 nan 0.000 0.491 366 V N 0.192 120.105 119.914 -0.001 0.000 2.370 366 V HA -0.313 3.807 4.120 0.000 0.000 0.252 366 V C 2.074 178.181 176.094 0.022 0.000 1.068 366 V CA 1.745 64.036 62.300 -0.014 0.000 1.061 366 V CB -0.760 31.008 31.823 -0.091 0.000 0.656 366 V HN 0.135 nan 8.190 nan 0.000 0.455 367 K N 0.494 120.922 120.400 0.047 0.000 2.189 367 K HA -0.283 4.037 4.320 0.000 0.000 0.207 367 K C 2.255 178.863 176.600 0.013 0.000 1.046 367 K CA 2.454 58.768 56.287 0.045 0.000 0.928 367 K CB -0.451 32.074 32.500 0.042 0.000 0.720 367 K HN 0.737 nan 8.250 nan 0.000 0.458 368 Q N -0.482 119.317 119.800 -0.001 0.000 2.297 368 Q HA -0.109 4.231 4.340 0.000 0.000 0.204 368 Q C 1.944 177.920 176.000 -0.039 0.000 0.962 368 Q CA 0.917 56.707 55.803 -0.021 0.000 0.879 368 Q CB 0.035 28.759 28.738 -0.023 0.000 0.947 368 Q HN 0.099 nan 8.270 nan 0.000 0.462 369 R N -0.324 120.157 120.500 -0.031 0.000 2.316 369 R HA 0.167 4.507 4.340 0.000 0.000 0.201 369 R C -0.534 175.751 176.300 -0.025 0.000 0.888 369 R CA 0.117 56.180 56.100 -0.061 0.000 1.041 369 R CB 0.611 30.883 30.300 -0.045 0.000 1.115 369 R HN 0.050 nan 8.270 nan 0.000 0.559 370 L N 1.109 122.352 121.223 0.034 0.000 2.356 370 L HA 0.587 4.927 4.340 0.000 0.000 0.277 370 L C -1.373 175.530 176.870 0.055 0.000 0.996 370 L CA -0.840 54.049 54.840 0.083 0.000 0.822 370 L CB 1.583 43.713 42.059 0.119 0.000 1.256 370 L HN -0.069 nan 8.230 nan 0.000 0.413 371 R N 2.584 123.102 120.500 0.030 0.000 2.387 371 R HA 0.675 5.015 4.340 0.000 0.000 0.314 371 R C -1.175 175.103 176.300 -0.035 0.000 0.958 371 R CA -0.189 55.904 56.100 -0.010 0.000 0.846 371 R CB 1.500 31.776 30.300 -0.040 0.000 1.147 371 R HN 0.714 nan 8.270 nan 0.000 0.447 372 T N 2.973 117.485 114.554 -0.070 0.000 2.749 372 T HA 0.767 5.117 4.350 0.000 0.000 0.287 372 T C -0.375 174.099 174.700 -0.376 0.000 0.970 372 T CA 0.117 62.126 62.100 -0.152 0.000 0.980 372 T CB 1.358 70.172 68.868 -0.091 0.000 0.924 372 T HN 0.782 nan 8.240 nan 0.000 0.456 373 G N 1.855 110.302 108.800 -0.588 0.000 2.427 373 G HA2 0.465 4.425 3.960 0.000 0.000 0.306 373 G HA3 0.465 4.425 3.960 0.000 0.000 0.306 373 G C -1.026 173.473 174.900 -0.669 0.000 1.280 373 G CA -0.671 43.875 45.100 -0.923 0.000 0.837 373 G HN 0.519 nan 8.290 nan 0.000 0.482 374 T N 0.493 114.892 114.554 -0.259 0.000 2.817 374 T HA 0.523 4.873 4.350 0.000 0.000 0.293 374 T C 0.033 174.645 174.700 -0.147 0.000 0.964 374 T CA -0.050 62.015 62.100 -0.058 0.000 1.085 374 T CB 1.264 70.169 68.868 0.060 0.000 0.921 374 T HN 0.487 nan 8.240 nan 0.000 0.502 375 V N 4.274 124.091 119.914 -0.161 0.000 2.483 375 V HA 0.400 4.520 4.120 0.000 0.000 0.295 375 V C 0.069 176.109 176.094 -0.091 0.000 1.035 375 V CA -0.806 61.418 62.300 -0.126 0.000 0.896 375 V CB 1.873 33.662 31.823 -0.056 0.000 0.986 375 V HN 0.643 nan 8.190 nan 0.000 0.447 376 V N 3.533 123.331 119.914 -0.194 0.000 2.407 376 V HA 0.374 4.494 4.120 0.000 0.000 0.278 376 V C 0.365 176.372 176.094 -0.146 0.000 1.037 376 V CA -0.171 62.004 62.300 -0.209 0.000 0.900 376 V CB 1.650 33.208 31.823 -0.442 0.000 0.983 376 V HN 0.968 nan 8.190 nan 0.000 0.459 377 T N 3.859 118.366 114.554 -0.077 0.000 2.756 377 T HA 0.450 4.800 4.350 0.000 0.000 0.290 377 T C 0.010 174.655 174.700 -0.092 0.000 0.985 377 T CA -0.119 61.942 62.100 -0.065 0.000 0.955 377 T CB 1.291 70.131 68.868 -0.046 0.000 0.930 377 T HN 0.796 nan 8.240 nan 0.000 0.451 378 T N 1.108 115.620 114.554 -0.070 0.000 2.942 378 T HA 0.406 4.756 4.350 0.000 0.000 0.289 378 T C 0.070 174.773 174.700 0.004 0.000 1.044 378 T CA -0.851 61.219 62.100 -0.049 0.000 1.023 378 T CB 1.220 70.086 68.868 -0.003 0.000 1.123 378 T HN 0.610 nan 8.240 nan 0.000 0.512 379 D N 0.912 121.325 120.400 0.021 0.000 2.402 379 D HA 0.153 4.793 4.640 0.000 0.000 0.216 379 D C -0.118 176.255 176.300 0.121 0.000 1.128 379 D CA -0.190 53.852 54.000 0.071 0.000 0.833 379 D CB 0.209 41.070 40.800 0.101 0.000 0.971 379 D HN 0.382 nan 8.370 nan 0.000 0.503 380 D N 0.594 121.090 120.400 0.159 0.000 2.458 380 D HA 0.154 4.794 4.640 0.000 0.000 0.258 380 D C 1.312 177.784 176.300 0.286 0.000 1.134 380 D CA -0.583 53.538 54.000 0.202 0.000 0.915 380 D CB 1.056 41.992 40.800 0.226 0.000 1.028 380 D HN -0.203 nan 8.370 nan 0.000 0.508 381 R N 2.508 123.131 120.500 0.205 0.000 2.133 381 R HA -0.080 4.261 4.340 0.000 0.000 0.247 381 R C 0.413 176.779 176.300 0.109 0.000 1.151 381 R CA 1.466 57.687 56.100 0.201 0.000 0.971 381 R CB -0.224 30.141 30.300 0.109 0.000 0.866 381 R HN 0.220 nan 8.270 nan 0.000 0.447 382 N N 1.110 119.836 118.700 0.042 0.000 2.389 382 N HA -0.024 4.716 4.740 0.000 0.000 0.237 382 N C 0.471 175.915 175.510 -0.110 0.000 1.148 382 N CA 0.416 53.403 53.050 -0.107 0.000 0.854 382 N CB -0.315 38.137 38.487 -0.059 0.000 1.115 382 N HN 0.485 nan 8.380 nan 0.000 0.492 383 W N 0.807 122.149 121.300 0.069 0.000 2.341 383 W HA -0.171 4.489 4.660 0.000 0.000 0.283 383 W C 0.514 177.074 176.519 0.070 0.000 1.215 383 W CA 0.428 57.823 57.345 0.082 0.000 1.211 383 W CB -0.731 28.811 29.460 0.137 0.000 1.131 383 W HN 0.066 nan 8.180 nan 0.000 0.552 384 E N 1.398 121.082 120.200 -0.859 0.000 2.171 384 E HA -0.172 4.178 4.350 0.000 0.000 0.197 384 E C 2.217 178.687 176.600 -0.217 0.000 0.997 384 E CA 1.830 57.798 56.400 -0.720 0.000 0.810 384 E CB -0.812 28.370 29.700 -0.863 0.000 0.738 384 E HN 0.311 nan 8.360 nan 0.000 0.467 385 L N 0.032 121.163 121.223 -0.154 0.000 2.642 385 L HA -0.060 4.280 4.340 0.000 0.000 0.236 385 L C 0.726 177.601 176.870 0.009 0.000 1.169 385 L CA 0.834 55.639 54.840 -0.059 0.000 0.851 385 L CB -0.139 41.892 42.059 -0.046 0.000 0.968 385 L HN 0.013 nan 8.230 nan 0.000 0.453 386 R N -2.160 118.378 120.500 0.062 0.000 2.711 386 R HA 0.051 4.391 4.340 0.000 0.000 0.350 386 R C 0.565 176.948 176.300 0.138 0.000 1.146 386 R CA -0.282 55.868 56.100 0.084 0.000 1.190 386 R CB 0.198 30.549 30.300 0.085 0.000 1.312 386 R HN -0.055 nan 8.270 nan 0.000 0.635 387 Y N 2.134 122.436 120.300 0.003 0.000 2.081 387 Y HA -0.339 4.211 4.550 0.000 0.000 0.280 387 Y C 2.278 178.135 175.900 -0.073 0.000 1.163 387 Y CA 2.227 60.325 58.100 -0.003 0.000 1.135 387 Y CB -0.371 38.083 38.460 -0.010 0.000 0.970 387 Y HN 0.245 nan 8.280 nan 0.000 0.498 388 S N 0.656 116.206 115.700 -0.249 0.000 2.369 388 S HA -0.350 4.120 4.470 0.000 0.000 0.225 388 S C 2.317 176.744 174.600 -0.287 0.000 1.043 388 S CA 1.927 59.915 58.200 -0.352 0.000 1.074 388 S CB -1.596 61.504 63.200 -0.167 0.000 0.962 388 S HN 0.588 nan 8.310 nan 0.000 0.433 389 A N 1.419 124.150 122.820 -0.149 0.000 1.978 389 A HA -0.049 4.271 4.320 0.000 0.000 0.220 389 A C 2.407 179.907 177.584 -0.140 0.000 1.170 389 A CA 2.016 53.991 52.037 -0.103 0.000 0.636 389 A CB -0.963 18.018 19.000 -0.031 0.000 0.810 389 A HN 0.591 nan 8.150 nan 0.000 0.448 390 S N -0.634 114.939 115.700 -0.213 0.000 2.404 390 S HA 0.202 4.672 4.470 0.000 0.000 0.223 390 S C 2.353 176.603 174.600 -0.583 0.000 1.040 390 S CA 0.692 58.676 58.200 -0.360 0.000 0.957 390 S CB -0.488 62.445 63.200 -0.445 0.000 0.826 390 S HN 0.829 nan 8.310 nan 0.000 0.491 391 A N 2.087 124.488 122.820 -0.699 0.000 1.929 391 A HA -0.234 4.086 4.320 0.000 0.000 0.221 391 A C 2.114 179.555 177.584 -0.238 0.000 1.211 391 A CA 2.044 53.721 52.037 -0.599 0.000 0.657 391 A CB -1.050 17.393 19.000 -0.928 0.000 0.827 391 A HN 0.437 nan 8.150 nan 0.000 0.462 392 L N -0.441 120.664 121.223 -0.197 0.000 2.079 392 L HA -0.177 4.163 4.340 0.000 0.000 0.210 392 L C 2.514 179.384 176.870 0.001 0.000 1.081 392 L CA 2.186 56.980 54.840 -0.077 0.000 0.752 392 L CB -0.434 41.582 42.059 -0.072 0.000 0.896 392 L HN 0.395 nan 8.230 nan 0.000 0.433 393 R N -1.599 118.912 120.500 0.018 0.000 2.066 393 R HA -0.119 4.221 4.340 0.000 0.000 0.232 393 R C 2.237 178.689 176.300 0.253 0.000 1.131 393 R CA 1.455 57.628 56.100 0.121 0.000 0.955 393 R CB -0.605 29.783 30.300 0.147 0.000 0.851 393 R HN 0.263 nan 8.270 nan 0.000 0.432 394 F N 1.589 121.522 119.950 -0.028 0.000 2.091 394 F HA -0.235 4.292 4.527 0.000 0.000 0.299 394 F C 2.224 178.023 175.800 -0.001 0.000 1.103 394 F CA 0.830 58.818 58.000 -0.021 0.000 1.228 394 F CB -1.173 37.837 39.000 0.017 0.000 0.984 394 F HN 0.172 nan 8.300 nan 0.000 0.477 395 N N 0.184 119.016 118.700 0.221 0.000 2.106 395 N HA -0.166 4.574 4.740 0.000 0.000 0.188 395 N C 1.924 177.482 175.510 0.080 0.000 1.029 395 N CA 0.683 53.806 53.050 0.123 0.000 0.848 395 N CB -0.140 38.395 38.487 0.079 0.000 1.007 395 N HN 0.081 nan 8.380 nan 0.000 0.423 396 L N 1.258 122.523 121.223 0.070 0.000 2.127 396 L HA -0.105 4.235 4.340 0.000 0.000 0.211 396 L C 2.312 179.208 176.870 0.043 0.000 1.089 396 L CA 1.589 56.457 54.840 0.046 0.000 0.757 396 L CB -0.827 41.256 42.059 0.039 0.000 0.899 396 L HN 0.266 nan 8.230 nan 0.000 0.434 397 S N -1.975 113.756 115.700 0.051 0.000 2.556 397 S HA 0.069 4.539 4.470 0.000 0.000 0.216 397 S C 0.752 175.368 174.600 0.027 0.000 0.970 397 S CA -0.450 57.768 58.200 0.030 0.000 0.912 397 S CB 0.052 63.261 63.200 0.015 0.000 0.790 397 S HN 0.382 nan 8.310 nan 0.000 0.504 398 R N 0.489 121.011 120.500 0.037 0.000 3.641 398 R HA -0.124 4.216 4.340 0.000 0.000 0.286 398 R C 0.367 176.661 176.300 -0.010 0.000 1.153 398 R CA 0.754 56.871 56.100 0.029 0.000 0.775 398 R CB -3.100 27.223 30.300 0.038 0.000 1.215 398 R HN 0.780 nan 8.270 nan 0.000 0.474 399 A N 0.128 122.920 122.820 -0.046 0.000 2.587 399 A HA 0.172 4.492 4.320 0.000 0.000 0.235 399 A C 1.516 179.012 177.584 -0.147 0.000 1.044 399 A CA 0.786 52.725 52.037 -0.164 0.000 0.754 399 A CB 0.485 19.252 19.000 -0.387 0.000 0.968 399 A HN 0.149 nan 8.150 nan 0.000 0.509 400 V N 1.582 121.396 119.914 -0.167 0.000 3.570 400 V HA 0.497 4.617 4.120 0.000 0.000 0.257 400 V C 0.953 176.966 176.094 -0.134 0.000 1.272 400 V CA 1.639 63.862 62.300 -0.129 0.000 1.079 400 V CB -0.013 31.727 31.823 -0.137 0.000 0.829 400 V HN 1.386 nan 8.190 nan 0.000 0.454 401 A N -0.456 122.251 122.820 -0.189 0.000 2.586 401 A HA 0.772 5.092 4.320 0.000 0.000 0.290 401 A C -1.808 175.622 177.584 -0.257 0.000 1.086 401 A CA -0.342 51.595 52.037 -0.166 0.000 0.665 401 A CB 1.693 20.641 19.000 -0.087 0.000 1.279 401 A HN 0.109 nan 8.150 nan 0.000 0.423 402 I N 1.234 121.681 120.570 -0.206 0.000 2.534 402 I HA 0.548 4.718 4.170 0.000 0.000 0.288 402 I C -1.736 174.340 176.117 -0.068 0.000 1.077 402 I CA -0.333 60.818 61.300 -0.249 0.000 1.051 402 I CB 1.708 39.411 38.000 -0.495 0.000 1.234 402 I HN 0.952 nan 8.210 nan 0.000 0.425 406 S N 1.344 117.023 115.700 -0.036 0.000 2.404 406 S HA -0.327 4.143 4.470 0.000 0.000 0.230 406 S C 2.139 176.604 174.600 -0.223 0.000 1.046 406 S CA 2.024 60.227 58.200 0.005 0.000 1.135 406 S CB -0.645 62.678 63.200 0.205 0.000 1.056 406 S HN 0.455 nan 8.310 nan 0.000 0.426 407 A N 1.024 123.690 122.820 -0.257 0.000 1.948 407 A HA -0.165 4.155 4.320 0.000 0.000 0.220 407 A C 2.341 179.667 177.584 -0.431 0.000 1.177 407 A CA 2.278 53.986 52.037 -0.549 0.000 0.636 407 A CB -1.450 17.417 19.000 -0.221 0.000 0.815 407 A HN 0.559 nan 8.150 nan 0.000 0.449 408 T N 0.491 114.885 114.554 -0.267 0.000 2.674 408 T HA -0.113 4.237 4.350 0.000 0.000 0.265 408 T C 1.802 176.365 174.700 -0.228 0.000 1.039 408 T CA 1.446 63.414 62.100 -0.220 0.000 1.150 408 T CB -0.299 68.461 68.868 -0.180 0.000 0.864 408 T HN 0.323 nan 8.240 nan 0.000 0.427 409 I N 1.776 122.201 120.570 -0.243 0.000 2.226 409 I HA -0.129 4.041 4.170 0.000 0.000 0.245 409 I C 2.913 179.020 176.117 -0.017 0.000 1.100 409 I CA 1.231 62.421 61.300 -0.184 0.000 1.374 409 I CB -1.605 36.279 38.000 -0.193 0.000 1.057 409 I HN 0.205 nan 8.210 nan 0.000 0.413 410 A N 0.820 123.469 122.820 -0.286 0.000 1.873 410 A HA -0.061 4.259 4.320 0.000 0.000 0.215 410 A C 2.594 179.725 177.584 -0.754 0.000 1.186 410 A CA 1.817 53.454 52.037 -0.668 0.000 0.616 410 A CB -0.788 17.664 19.000 -0.913 0.000 0.823 410 A HN 0.398 nan 8.150 nan 0.000 0.442 411 A N -1.021 121.500 122.820 -0.499 0.000 1.908 411 A HA -0.212 4.108 4.320 0.000 0.000 0.218 411 A C 2.140 179.620 177.584 -0.174 0.000 1.181 411 A CA 1.720 53.554 52.037 -0.338 0.000 0.627 411 A CB -0.509 18.326 19.000 -0.275 0.000 0.818 411 A HN 0.512 nan 8.150 nan 0.000 0.445 412 Q N -0.677 119.075 119.800 -0.080 0.000 2.119 412 Q HA -0.123 4.217 4.340 0.000 0.000 0.201 412 Q C 2.261 178.411 176.000 0.250 0.000 0.972 412 Q CA 1.503 57.355 55.803 0.080 0.000 0.847 412 Q CB -0.835 28.070 28.738 0.278 0.000 0.903 412 Q HN 0.672 nan 8.270 nan 0.000 0.433 413 G N -0.040 108.938 108.800 0.297 0.000 2.446 413 G HA2 -0.318 3.642 3.960 0.000 0.000 0.217 413 G HA3 -0.318 3.642 3.960 0.000 0.000 0.217 413 G C 1.380 176.322 174.900 0.069 0.000 1.168 413 G CA 0.909 46.084 45.100 0.126 0.000 0.771 413 G HN 0.413 nan 8.290 nan 0.000 0.551 414 Y N 1.528 121.705 120.300 -0.205 0.000 2.097 414 Y HA -0.159 4.391 4.550 0.000 0.000 0.282 414 Y C 3.072 178.911 175.900 -0.103 0.000 1.152 414 Y CA 2.175 60.251 58.100 -0.041 0.000 1.136 414 Y CB -0.146 38.226 38.460 -0.146 0.000 0.975 414 Y HN 0.028 nan 8.280 nan 0.000 0.498 415 R N -0.839 119.627 120.500 -0.058 0.000 2.091 415 R HA -0.171 4.169 4.340 0.000 0.000 0.238 415 R C 1.330 177.379 176.300 -0.418 0.000 1.136 415 R CA 1.698 57.596 56.100 -0.336 0.000 0.959 415 R CB -0.617 29.295 30.300 -0.647 0.000 0.856 415 R HN 0.360 nan 8.270 nan 0.000 0.437 416 F N 0.259 120.196 119.950 -0.023 0.000 2.645 416 F HA 0.246 4.773 4.527 0.000 0.000 0.300 416 F C 0.201 175.841 175.800 -0.267 0.000 1.115 416 F CA -0.587 57.346 58.000 -0.111 0.000 1.355 416 F CB 0.017 39.075 39.000 0.096 0.000 1.026 416 F HN -0.198 nan 8.300 nan 0.000 0.536 417 R N -0.282 120.149 120.500 -0.115 0.000 3.333 417 R HA -0.134 4.206 4.340 0.000 0.000 0.256 417 R C -1.360 174.843 176.300 -0.161 0.000 1.010 417 R CA 0.088 56.102 56.100 -0.144 0.000 0.680 417 R CB -2.515 27.685 30.300 -0.167 0.000 1.102 417 R HN 0.073 nan 8.270 nan 0.000 0.440 418 V N 0.867 120.652 119.914 -0.214 0.000 2.376 418 V HA 0.347 4.467 4.120 0.000 0.000 0.287 418 V C -1.930 173.948 176.094 -0.359 0.000 1.015 418 V CA -2.153 59.888 62.300 -0.431 0.000 0.834 418 V CB 2.168 33.426 31.823 -0.942 0.000 1.001 418 V HN 0.016 nan 8.190 nan 0.000 0.428 419 P HA 0.074 nan 4.420 nan 0.000 0.264 419 P C -1.254 175.904 177.300 -0.237 0.000 1.179 419 P CA 0.589 63.477 63.100 -0.352 0.000 0.763 419 P CB 0.081 31.544 31.700 -0.394 0.000 0.806 420 Y N 0.447 120.699 120.300 -0.080 0.000 2.644 420 Y HA 0.912 5.462 4.550 0.000 0.000 0.338 420 Y C -0.136 175.862 175.900 0.163 0.000 1.119 420 Y CA -1.420 56.725 58.100 0.075 0.000 1.060 420 Y CB 1.022 39.581 38.460 0.166 0.000 1.294 420 Y HN 0.583 nan 8.280 nan 0.000 0.472 421 G N -0.325 108.736 108.800 0.436 0.000 2.632 421 G HA2 0.531 4.491 3.960 0.000 0.000 0.292 421 G HA3 0.531 4.491 3.960 0.000 0.000 0.292 421 G C -1.986 173.131 174.900 0.361 0.000 1.465 421 G CA -0.998 44.302 45.100 0.335 0.000 0.824 421 G HN 0.688 nan 8.290 nan 0.000 0.509 422 T N 0.453 115.197 114.554 0.317 0.000 2.928 422 T HA 0.561 4.911 4.350 0.000 0.000 0.296 422 T C -1.286 173.528 174.700 0.189 0.000 1.000 422 T CA -0.326 61.940 62.100 0.276 0.000 0.989 422 T CB 1.575 70.661 68.868 0.364 0.000 1.005 422 T HN 0.675 nan 8.240 nan 0.000 0.442 423 L N 4.892 126.221 121.223 0.177 0.000 2.485 423 L HA 0.579 4.919 4.340 0.000 0.000 0.260 423 L C -1.335 175.697 176.870 0.271 0.000 0.998 423 L CA -0.401 54.540 54.840 0.169 0.000 0.883 423 L CB 0.467 42.600 42.059 0.123 0.000 1.196 423 L HN 0.587 nan 8.230 nan 0.000 0.443 424 L N 2.923 124.272 121.223 0.210 0.000 2.387 424 L HA 0.596 4.936 4.340 0.000 0.000 0.266 424 L C -0.279 176.688 176.870 0.160 0.000 1.059 424 L CA -0.731 54.251 54.840 0.236 0.000 0.801 424 L CB 1.697 43.850 42.059 0.157 0.000 1.223 424 L HN 0.607 nan 8.230 nan 0.000 0.456 425 C N 1.613 121.006 119.300 0.156 0.000 2.340 425 C HA 0.537 4.997 4.460 0.000 0.000 0.323 425 C C 0.144 175.118 174.990 -0.027 0.000 1.260 425 C CA -0.629 58.404 59.018 0.025 0.000 1.464 425 C CB 0.719 28.439 27.740 -0.033 0.000 2.156 425 C HN 0.507 nan 8.230 nan 0.000 0.476 426 V N 7.100 126.954 119.914 -0.099 0.000 2.493 426 V HA 0.143 4.263 4.120 0.000 0.000 0.292 426 V C 1.316 177.292 176.094 -0.196 0.000 1.016 426 V CA 1.211 63.442 62.300 -0.114 0.000 1.097 426 V CB 0.909 32.665 31.823 -0.112 0.000 0.947 426 V HN 1.064 nan 8.190 nan 0.000 0.479 427 S N 1.688 117.257 115.700 -0.218 0.000 2.540 427 S HA 0.215 4.685 4.470 0.000 0.000 0.222 427 S C 0.184 174.680 174.600 -0.174 0.000 1.008 427 S CA -0.016 57.986 58.200 -0.330 0.000 0.939 427 S CB 0.119 62.972 63.200 -0.577 0.000 0.865 427 S HN 0.916 nan 8.310 nan 0.000 0.499 428 D N 0.043 120.389 120.400 -0.091 0.000 2.710 428 D HA 0.233 4.873 4.640 0.000 0.000 0.276 428 D C -1.754 174.552 176.300 0.011 0.000 1.267 428 D CA -0.642 53.335 54.000 -0.038 0.000 0.772 428 D CB 0.871 41.660 40.800 -0.019 0.000 1.299 428 D HN 0.048 nan 8.370 nan 0.000 0.421 429 K N 0.780 121.201 120.400 0.034 0.000 2.687 429 K HA 0.321 4.641 4.320 0.000 0.000 0.197 429 K C -2.182 174.472 176.600 0.089 0.000 1.049 429 K CA -1.566 54.781 56.287 0.099 0.000 1.030 429 K CB 2.269 34.836 32.500 0.112 0.000 1.261 429 K HN 0.053 nan 8.250 nan 0.000 0.565 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 0.845 178.093 177.300 -0.087 0.000 1.150 430 P CA 0.880 63.985 63.100 0.010 0.000 0.843 430 P CB 0.300 32.087 31.700 0.146 0.000 0.787 431 L N -2.672 118.492 121.223 -0.098 0.000 2.492 431 L HA 0.003 4.343 4.340 0.000 0.000 0.223 431 L C 0.671 177.203 176.870 -0.562 0.000 1.132 431 L CA 1.365 55.966 54.840 -0.398 0.000 0.850 431 L CB -1.473 40.290 42.059 -0.493 0.000 0.966 431 L HN 0.107 nan 8.230 nan 0.000 0.454 432 H N -1.743 117.307 119.070 -0.032 0.000 2.534 432 H HA 0.542 5.098 4.556 0.000 0.000 0.250 432 H C 1.346 176.655 175.328 -0.032 0.000 1.256 432 H CA 0.235 56.267 56.048 -0.027 0.000 1.000 432 H CB 0.144 29.897 29.762 -0.016 0.000 1.801 432 H HN 0.150 nan 8.280 nan 0.000 0.569 433 G N 1.178 109.985 108.800 0.012 0.000 4.655 433 G HA2 -0.400 3.560 3.960 0.000 0.000 0.220 433 G HA3 -0.400 3.560 3.960 0.000 0.000 0.220 433 G C 0.459 175.355 174.900 -0.006 0.000 1.403 433 G CA 0.101 45.200 45.100 -0.001 0.000 0.931 433 G HN 0.513 nan 8.290 nan 0.000 0.654 434 E N 2.243 122.450 120.200 0.011 0.000 1.943 434 E HA 0.405 4.755 4.350 0.000 0.000 0.254 434 E C 0.960 177.553 176.600 -0.011 0.000 1.239 434 E CA 0.351 56.749 56.400 -0.005 0.000 1.027 434 E CB -0.235 29.461 29.700 -0.006 0.000 1.087 434 E HN 0.639 nan 8.360 nan 0.000 0.437 435 I N 0.640 121.195 120.570 -0.025 0.000 4.412 435 I HA 0.388 4.558 4.170 0.000 0.000 0.217 435 I C 0.661 176.757 176.117 -0.034 0.000 1.248 435 I CA -1.235 60.044 61.300 -0.034 0.000 1.427 435 I CB 0.812 38.774 38.000 -0.062 0.000 1.430 435 I HN 0.122 nan 8.210 nan 0.000 0.486 448 A N 0.473 123.316 122.820 0.039 0.000 2.066 448 A HA 0.313 4.633 4.320 0.000 0.000 0.218 448 A C 2.284 179.966 177.584 0.163 0.000 1.157 448 A CA 1.711 53.803 52.037 0.092 0.000 0.670 448 A CB -0.414 18.609 19.000 0.038 0.000 0.804 448 A HN 0.429 nan 8.150 nan 0.000 0.453 449 I N -0.580 120.033 120.570 0.071 0.000 2.179 449 I HA -0.192 3.978 4.170 0.000 0.000 0.242 449 I C 2.686 178.783 176.117 -0.034 0.000 1.088 449 I CA 1.824 63.079 61.300 -0.076 0.000 1.357 449 I CB -0.777 37.058 38.000 -0.275 0.000 1.051 449 I HN 0.268 nan 8.210 nan 0.000 0.409 450 S N -0.215 115.475 115.700 -0.016 0.000 2.356 450 S HA -0.261 4.209 4.470 0.000 0.000 0.223 450 S C 2.160 176.784 174.600 0.040 0.000 1.032 450 S CA 1.741 59.938 58.200 -0.005 0.000 1.005 450 S CB -0.315 62.883 63.200 -0.003 0.000 0.867 450 S HN 0.570 nan 8.310 nan 0.000 0.449 451 E N -0.220 120.035 120.200 0.092 0.000 2.051 451 E HA -0.252 4.098 4.350 0.000 0.000 0.192 451 E C 1.986 178.681 176.600 0.158 0.000 0.991 451 E CA 1.411 57.880 56.400 0.115 0.000 0.799 451 E CB -0.468 29.330 29.700 0.163 0.000 0.748 451 E HN 0.808 nan 8.360 nan 0.000 0.449 452 H N -0.314 118.840 119.070 0.141 0.000 2.289 452 H HA -0.183 4.373 4.556 0.000 0.000 0.296 452 H C 2.365 177.735 175.328 0.070 0.000 1.091 452 H CA 1.341 57.457 56.048 0.113 0.000 1.274 452 H CB 0.022 30.020 29.762 0.393 0.000 1.364 452 H HN 0.241 nan 8.280 nan 0.000 0.490 453 L N 1.110 122.447 121.223 0.190 0.000 2.079 453 L HA -0.206 4.134 4.340 0.000 0.000 0.210 453 L C 2.252 179.059 176.870 -0.105 0.000 1.081 453 L CA 1.507 56.365 54.840 0.029 0.000 0.752 453 L CB -0.632 41.474 42.059 0.077 0.000 0.896 453 L HN 0.345 nan 8.230 nan 0.000 0.433 454 Q N -0.412 119.326 119.800 -0.103 0.000 2.119 454 Q HA -0.111 4.229 4.340 0.000 0.000 0.201 454 Q C 2.347 178.274 176.000 -0.122 0.000 0.972 454 Q CA 1.855 57.556 55.803 -0.171 0.000 0.847 454 Q CB -0.253 28.415 28.738 -0.116 0.000 0.903 454 Q HN 0.618 nan 8.270 nan 0.000 0.433 455 I N -0.160 120.361 120.570 -0.081 0.000 2.179 455 I HA -0.214 3.956 4.170 0.000 0.000 0.242 455 I C 2.294 178.363 176.117 -0.079 0.000 1.088 455 I CA 1.230 62.475 61.300 -0.091 0.000 1.357 455 I CB -0.718 37.193 38.000 -0.148 0.000 1.051 455 I HN 0.207 nan 8.210 nan 0.000 0.409 456 G N 1.464 110.213 108.800 -0.086 0.000 2.459 456 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 456 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 456 G C 1.687 176.540 174.900 -0.080 0.000 1.183 456 G CA 0.834 45.883 45.100 -0.085 0.000 0.776 456 G HN 0.324 nan 8.290 nan 0.000 0.552 457 I N 0.198 120.687 120.570 -0.135 0.000 2.179 457 I HA -0.148 4.022 4.170 0.000 0.000 0.242 457 I C 2.820 178.890 176.117 -0.078 0.000 1.088 457 I CA 1.319 62.532 61.300 -0.145 0.000 1.357 457 I CB -0.215 37.565 38.000 -0.366 0.000 1.051 457 I HN 0.084 nan 8.210 nan 0.000 0.409 458 R N 1.685 122.138 120.500 -0.078 0.000 2.096 458 R HA -0.111 4.229 4.340 0.000 0.000 0.235 458 R C 2.190 178.477 176.300 -0.023 0.000 1.127 458 R CA 1.764 57.841 56.100 -0.037 0.000 0.968 458 R CB -0.717 29.560 30.300 -0.038 0.000 0.861 458 R HN 0.362 nan 8.270 nan 0.000 0.440 459 A N 0.886 123.693 122.820 -0.021 0.000 1.877 459 A HA -0.123 4.197 4.320 0.000 0.000 0.216 459 A C 2.103 179.695 177.584 0.014 0.000 1.186 459 A CA 1.584 53.625 52.037 0.006 0.000 0.620 459 A CB -0.559 18.451 19.000 0.017 0.000 0.822 459 A HN 0.294 nan 8.150 nan 0.000 0.443 460 I N 0.497 121.069 120.570 0.005 0.000 2.163 460 I HA -0.239 3.931 4.170 0.000 0.000 0.243 460 I C 1.944 177.978 176.117 -0.139 0.000 1.085 460 I CA 1.865 63.154 61.300 -0.019 0.000 1.347 460 I CB -1.567 36.426 38.000 -0.012 0.000 1.044 460 I HN 0.296 nan 8.210 nan 0.000 0.408 461 D N 0.996 121.342 120.400 -0.089 0.000 2.104 461 D HA -0.169 4.471 4.640 0.000 0.000 0.194 461 D C 2.432 178.692 176.300 -0.066 0.000 0.994 461 D CA 1.118 55.066 54.000 -0.087 0.000 0.830 461 D CB -0.409 40.382 40.800 -0.014 0.000 0.959 461 D HN 0.276 nan 8.370 nan 0.000 0.452 462 L N 0.149 121.358 121.223 -0.024 0.000 2.042 462 L HA -0.166 4.174 4.340 0.000 0.000 0.210 462 L C 2.574 179.454 176.870 0.017 0.000 1.076 462 L CA 0.749 55.590 54.840 0.002 0.000 0.749 462 L CB -0.345 41.725 42.059 0.018 0.000 0.893 462 L HN 0.061 nan 8.230 nan 0.000 0.432 463 L N -0.824 120.416 121.223 0.029 0.000 2.156 463 L HA -0.167 4.173 4.340 0.000 0.000 0.208 463 L C 2.818 179.758 176.870 0.117 0.000 1.095 463 L CA 0.906 55.804 54.840 0.098 0.000 0.770 463 L CB -0.462 41.699 42.059 0.170 0.000 0.914 463 L HN 0.251 nan 8.230 nan 0.000 0.439 464 R N 0.493 120.955 120.500 -0.064 0.000 2.075 464 R HA -0.157 4.183 4.340 0.000 0.000 0.232 464 R C 2.268 178.576 176.300 0.013 0.000 1.126 464 R CA 1.431 57.453 56.100 -0.129 0.000 0.963 464 R CB -0.161 29.825 30.300 -0.524 0.000 0.858 464 R HN 0.323 nan 8.270 nan 0.000 0.435 465 A N 0.610 123.424 122.820 -0.009 0.000 1.968 465 A HA -0.152 4.168 4.320 0.000 0.000 0.217 465 A C 1.866 179.477 177.584 0.045 0.000 1.169 465 A CA 1.405 53.451 52.037 0.015 0.000 0.638 465 A CB -0.373 18.628 19.000 0.002 0.000 0.812 465 A HN 0.449 nan 8.150 nan 0.000 0.446 466 E N -0.524 119.713 120.200 0.061 0.000 2.273 466 E HA 0.045 4.395 4.350 0.000 0.000 0.198 466 E C 1.368 178.022 176.600 0.091 0.000 1.002 466 E CA 1.234 57.679 56.400 0.075 0.000 0.828 466 E CB -0.465 29.290 29.700 0.092 0.000 0.747 466 E HN 0.793 nan 8.360 nan 0.000 0.491 467 G N -0.064 108.804 108.800 0.114 0.000 2.543 467 G HA2 -0.392 3.568 3.960 0.000 0.000 0.286 467 G HA3 -0.392 3.568 3.960 0.000 0.000 0.286 467 G C 0.695 175.686 174.900 0.151 0.000 1.153 467 G CA 0.310 45.481 45.100 0.119 0.000 0.968 467 G HN 0.359 nan 8.290 nan 0.000 0.544 468 D N 0.773 121.247 120.400 0.123 0.000 2.354 468 D HA 0.085 4.725 4.640 0.000 0.000 0.209 468 D C 2.561 178.950 176.300 0.149 0.000 1.015 468 D CA 0.342 54.433 54.000 0.151 0.000 0.867 468 D CB 0.033 40.885 40.800 0.088 0.000 0.933 468 D HN 0.265 nan 8.370 nan 0.000 0.520 469 R N 0.824 121.387 120.500 0.104 0.000 2.249 469 R HA -0.106 4.234 4.340 0.000 0.000 0.230 469 R C 1.985 178.349 176.300 0.106 0.000 1.121 469 R CA 0.180 56.328 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 0.163 nan 8.270 nan 0.000 0.465 470 L N -0.206 121.117 121.223 0.167 0.000 1.989 470 L HA -0.115 4.225 4.340 0.000 0.000 0.211 470 L C 0.007 176.951 176.870 0.124 0.000 1.071 470 L CA 1.790 56.728 54.840 0.163 0.000 0.749 470 L CB -0.452 41.764 42.059 0.261 0.000 0.890 470 L HN 0.157 nan 8.230 nan 0.000 0.431 471 H N -0.402 118.727 119.070 0.098 0.000 2.690 471 H HA 0.492 5.048 4.556 0.000 0.000 0.314 471 H C 0.450 175.811 175.328 0.056 0.000 1.069 471 H CA 0.148 56.263 56.048 0.112 0.000 1.436 471 H CB 0.681 30.623 29.762 0.299 0.000 1.462 471 H HN 0.418 nan 8.280 nan 0.000 0.511 472 S N 2.185 117.938 115.700 0.088 0.000 2.823 472 S HA 0.471 4.941 4.470 0.000 0.000 0.316 472 S C 0.749 175.363 174.600 0.022 0.000 1.116 472 S CA -1.095 57.124 58.200 0.031 0.000 0.911 472 S CB 1.858 65.055 63.200 -0.006 0.000 1.276 472 S HN 0.648 nan 8.310 nan 0.000 0.565 473 R N 0.183 120.678 120.500 -0.009 0.000 2.317 473 R HA 0.252 4.592 4.340 0.000 0.000 0.208 473 R C 1.395 177.677 176.300 -0.031 0.000 0.914 473 R CA -0.034 56.052 56.100 -0.023 0.000 1.060 473 R CB -0.118 30.157 30.300 -0.043 0.000 1.015 473 R HN 0.589 nan 8.270 nan 0.000 0.498 474 K N 0.620 121.007 120.400 -0.021 0.000 2.281 474 K HA -0.090 4.230 4.320 0.000 0.000 0.203 474 K C 1.250 177.837 176.600 -0.021 0.000 1.046 474 K CA 0.984 57.267 56.287 -0.006 0.000 0.938 474 K CB 0.109 32.613 32.500 0.007 0.000 0.737 474 K HN 0.236 nan 8.250 nan 0.000 0.458 475 L N 0.117 121.304 121.223 -0.060 0.000 2.693 475 L HA 0.140 4.480 4.340 0.000 0.000 0.235 475 L C 0.394 177.180 176.870 -0.140 0.000 1.127 475 L CA -0.284 54.467 54.840 -0.148 0.000 0.914 475 L CB 0.155 42.138 42.059 -0.126 0.000 1.193 475 L HN -0.003 nan 8.230 nan 0.000 0.502 476 R N 0.499 120.955 120.500 -0.075 0.000 2.537 476 R HA 0.180 4.520 4.340 0.000 0.000 0.280 476 R C 0.185 176.443 176.300 -0.071 0.000 1.058 476 R CA 0.212 56.280 56.100 -0.053 0.000 1.057 476 R CB 0.832 31.099 30.300 -0.055 0.000 0.973 476 R HN -0.094 nan 8.270 nan 0.000 0.438 477 T N 1.425 115.970 114.554 -0.014 0.000 2.912 477 T HA 0.196 4.546 4.350 0.000 0.000 0.280 477 T C 0.967 175.710 174.700 0.071 0.000 0.989 477 T CA -0.534 61.608 62.100 0.070 0.000 0.995 477 T CB 0.455 69.384 68.868 0.101 0.000 1.077 477 T HN 0.351 nan 8.240 nan 0.000 0.531 478 F N 1.297 121.270 119.950 0.038 0.000 2.186 478 F HA 0.017 4.544 4.527 0.000 0.000 0.299 478 F C 1.974 177.822 175.800 0.079 0.000 1.090 478 F CA 0.927 58.961 58.000 0.057 0.000 1.307 478 F CB -0.413 38.621 39.000 0.057 0.000 1.019 478 F HN 0.561 nan 8.300 nan 0.000 0.489 479 N N -0.299 118.562 118.700 0.269 0.000 2.327 479 N HA 0.043 4.783 4.740 0.000 0.000 0.231 479 N C -0.219 175.370 175.510 0.131 0.000 1.130 479 N CA -0.166 53.005 53.050 0.202 0.000 0.845 479 N CB -0.432 38.157 38.487 0.170 0.000 1.073 479 N HN -0.018 nan 8.380 nan 0.000 0.496 480 E N 1.708 121.964 120.200 0.093 0.000 2.652 480 E HA 0.060 4.410 4.350 0.000 0.000 0.255 480 E C -2.169 174.410 176.600 -0.034 0.000 0.952 480 E CA -1.268 55.153 56.400 0.036 0.000 0.947 480 E CB 0.292 30.006 29.700 0.022 0.000 0.912 480 E HN 0.289 nan 8.360 nan 0.000 0.489 481 P HA 0.075 nan 4.420 nan 0.000 0.271 481 P C -2.214 174.923 177.300 -0.273 0.000 1.218 481 P CA -1.048 61.910 63.100 -0.237 0.000 0.780 481 P CB 0.621 32.041 31.700 -0.466 0.000 0.901 482 P HA -0.122 nan 4.420 nan 0.000 0.215 482 P C 0.160 177.382 177.300 -0.130 0.000 1.153 482 P CA 1.238 64.045 63.100 -0.488 0.000 0.853 482 P CB -0.099 31.073 31.700 -0.879 0.000 0.788 483 F N 0.254 120.020 119.950 -0.306 0.000 2.529 483 F HA 0.132 4.659 4.527 0.000 0.000 0.365 483 F C 1.676 177.446 175.800 -0.050 0.000 1.102 483 F CA -1.239 56.644 58.000 -0.195 0.000 1.271 483 F CB -0.716 38.215 39.000 -0.115 0.000 1.120 483 F HN -0.167 nan 8.300 nan 0.000 0.579 484 R N 0.000 120.558 120.500 0.096 0.000 2.786 484 R HA 0.000 4.340 4.340 0.000 0.000 0.208 484 R CA 0.000 56.138 56.100 0.064 0.000 0.921 484 R CB 0.000 29.983 30.300 -0.529 0.000 0.687 484 R HN 0.000 nan 8.270 nan 0.000 0.535