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 3feq_1_B DATA FIRST_RESID 2 DATA SEQUENCE TITVLQGGNV LDLERGVLLE HHHVVIDGER IVEVTDRPVD LPNAQAIDVR DATA SEQUENCE GKTVMPGFID CHVHVLASNA NLGVNATQPN ILAAIRSLPI LDAMLSRGFT DATA SEQUENCE SVRDAGGADW SLMQAVETGL VSGPRIFPSG KALSQTGGHG DFRPRXXXLE DATA SEQUENCE PCSCCFRTGA IARVVDGVEG VRLAVREEIQ KGATQIKIMA SGGVASPTDP DATA SEQUENCE IANTQYSEDE IRAIVDEAEA ANTYVMAHAY TGRAIARAVR CGVRTIEHGN DATA SEQUENCE LVDEAAAKLM HEHGAFVVPT LVTYDALAKH GAEFGMPPES VAKVASVQQK DATA SEQUENCE GRESLEIYAN AGVKMGFGSD LLGEMHAFQS GEFRIRAEVL GNLEALRSAT DATA SEQUENCE TVAAEIVNMQ GQLGVIAVGA IADLVVLDGN PLEDIGVVAD EGARVEYVLQ DATA SEQUENCE RGTLVKRQ 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.691 174.700 -0.015 0.000 1.109 2 T CA 0.000 62.092 62.100 -0.013 0.000 1.349 2 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 3 I N -0.067 120.492 120.570 -0.017 0.000 2.842 3 I HA 0.631 4.801 4.170 0.000 0.000 0.297 3 I C -1.881 174.222 176.117 -0.023 0.000 1.380 3 I CA -0.138 61.151 61.300 -0.019 0.000 1.018 3 I CB 2.294 40.284 38.000 -0.016 0.000 1.311 3 I HN 0.979 nan 8.210 nan 0.000 0.439 4 T N 5.467 120.005 114.554 -0.027 0.000 2.900 4 T HA 0.662 5.012 4.350 0.000 0.000 0.295 4 T C -1.408 173.272 174.700 -0.033 0.000 1.044 4 T CA -0.521 61.558 62.100 -0.036 0.000 0.995 4 T CB 2.133 70.974 68.868 -0.046 0.000 1.072 4 T HN 0.300 nan 8.240 nan 0.000 0.473 5 V N 3.824 123.715 119.914 -0.037 0.000 2.482 5 V HA 0.360 4.480 4.120 0.000 0.000 0.295 5 V C -0.965 175.096 176.094 -0.054 0.000 1.026 5 V CA -0.958 61.328 62.300 -0.024 0.000 0.856 5 V CB 1.627 33.455 31.823 0.008 0.000 1.001 5 V HN 0.643 nan 8.190 nan 0.000 0.424 6 L N 6.002 127.184 121.223 -0.068 0.000 2.342 6 L HA 0.382 4.723 4.340 0.000 0.000 0.285 6 L C 0.516 177.310 176.870 -0.126 0.000 1.095 6 L CA 0.275 55.048 54.840 -0.113 0.000 0.843 6 L CB 0.541 42.531 42.059 -0.115 0.000 1.201 6 L HN 0.802 nan 8.230 nan 0.000 0.445 7 Q N 1.113 120.811 119.800 -0.170 0.000 2.257 7 Q HA 0.607 4.948 4.340 0.000 0.000 0.255 7 Q C 0.702 176.368 176.000 -0.556 0.000 0.920 7 Q CA -0.322 55.267 55.803 -0.356 0.000 0.927 7 Q CB 1.484 30.151 28.738 -0.118 0.000 1.229 7 Q HN 0.769 nan 8.270 nan 0.000 0.433 8 G N 2.047 110.197 108.800 -1.083 0.000 2.143 8 G HA2 -0.243 3.717 3.960 0.000 0.000 0.248 8 G HA3 -0.243 3.717 3.960 0.000 0.000 0.248 8 G C 0.359 175.067 174.900 -0.320 0.000 0.991 8 G CA -0.266 44.279 45.100 -0.925 0.000 0.689 8 G HN 1.006 nan 8.290 nan 0.000 0.522 9 G N -0.538 108.108 108.800 -0.256 0.000 2.606 9 G HA2 0.469 4.429 3.960 0.000 0.000 0.252 9 G HA3 0.469 4.429 3.960 0.000 0.000 0.252 9 G C 0.023 174.909 174.900 -0.022 0.000 1.206 9 G CA -0.256 44.786 45.100 -0.096 0.000 0.861 9 G HN 0.539 nan 8.290 nan 0.000 0.561 10 N N 0.017 118.721 118.700 0.006 0.000 2.645 10 N HA 0.311 5.052 4.740 0.000 0.000 0.233 10 N C -0.525 174.982 175.510 -0.006 0.000 1.058 10 N CA -0.568 52.497 53.050 0.025 0.000 0.942 10 N CB 1.995 40.499 38.487 0.028 0.000 1.210 10 N HN 0.183 nan 8.380 nan 0.000 0.512 11 V N 2.979 122.879 119.914 -0.023 0.000 2.479 11 V HA 0.001 4.122 4.120 0.000 0.000 0.281 11 V C 0.640 176.695 176.094 -0.065 0.000 1.031 11 V CA -0.360 61.909 62.300 -0.053 0.000 1.038 11 V CB 0.629 32.407 31.823 -0.075 0.000 0.981 11 V HN 0.643 nan 8.190 nan 0.000 0.478 12 L N 5.522 126.721 121.223 -0.040 0.000 2.369 12 L HA 0.268 4.608 4.340 0.000 0.000 0.279 12 L C 0.324 177.174 176.870 -0.033 0.000 1.108 12 L CA 0.185 55.007 54.840 -0.030 0.000 0.852 12 L CB 0.465 42.518 42.059 -0.011 0.000 1.169 12 L HN 0.697 nan 8.230 nan 0.000 0.452 13 D N 4.679 125.055 120.400 -0.040 0.000 2.280 13 D HA 0.169 4.809 4.640 0.000 0.000 0.236 13 D C 0.585 176.880 176.300 -0.010 0.000 1.082 13 D CA -0.397 53.584 54.000 -0.031 0.000 0.834 13 D CB 1.834 42.603 40.800 -0.050 0.000 1.100 13 D HN 0.517 nan 8.370 nan 0.000 0.486 14 L N 3.182 124.408 121.223 0.004 0.000 2.354 14 L HA -0.015 4.325 4.340 0.000 0.000 0.212 14 L C 2.336 179.218 176.870 0.021 0.000 1.091 14 L CA 0.343 55.194 54.840 0.019 0.000 0.828 14 L CB 0.076 42.155 42.059 0.033 0.000 0.973 14 L HN 0.484 nan 8.230 nan 0.000 0.461 15 E N 0.151 120.361 120.200 0.016 0.000 2.371 15 E HA -0.130 4.220 4.350 0.000 0.000 0.194 15 E C 1.736 178.343 176.600 0.012 0.000 1.012 15 E CA 0.629 57.040 56.400 0.018 0.000 0.860 15 E CB 0.097 29.807 29.700 0.017 0.000 0.811 15 E HN 0.442 nan 8.360 nan 0.000 0.502 16 R N -0.041 120.463 120.500 0.006 0.000 2.195 16 R HA 0.185 4.525 4.340 0.000 0.000 0.197 16 R C 0.923 177.227 176.300 0.005 0.000 0.990 16 R CA 0.662 56.764 56.100 0.004 0.000 1.048 16 R CB 0.645 30.943 30.300 -0.003 0.000 0.997 16 R HN 0.256 nan 8.270 nan 0.000 0.502 17 G N 1.138 109.941 108.800 0.005 0.000 2.248 17 G HA2 -0.186 3.774 3.960 0.000 0.000 0.252 17 G HA3 -0.186 3.774 3.960 0.000 0.000 0.252 17 G C -0.291 174.611 174.900 0.003 0.000 1.085 17 G CA 0.098 45.203 45.100 0.008 0.000 0.845 17 G HN 0.250 nan 8.290 nan 0.000 0.494 18 V N -2.863 117.048 119.914 -0.005 0.000 3.087 18 V HA 0.783 4.903 4.120 0.000 0.000 0.306 18 V C 0.586 176.668 176.094 -0.020 0.000 1.187 18 V CA -1.709 60.586 62.300 -0.008 0.000 0.999 18 V CB 1.955 33.774 31.823 -0.007 0.000 1.049 18 V HN 0.335 nan 8.190 nan 0.000 0.431 19 L N 2.838 124.053 121.223 -0.013 0.000 2.439 19 L HA 0.432 4.772 4.340 0.000 0.000 0.269 19 L C -0.462 176.391 176.870 -0.029 0.000 1.179 19 L CA -0.271 54.557 54.840 -0.019 0.000 0.828 19 L CB 0.859 42.918 42.059 0.000 0.000 1.106 19 L HN 0.544 nan 8.230 nan 0.000 0.467 20 L N 3.962 125.144 121.223 -0.068 0.000 2.337 20 L HA 0.263 4.603 4.340 0.000 0.000 0.269 20 L C 0.181 177.124 176.870 0.122 0.000 1.018 20 L CA -0.756 54.019 54.840 -0.107 0.000 0.876 20 L CB 0.844 42.571 42.059 -0.553 0.000 1.236 20 L HN 0.611 nan 8.230 nan 0.000 0.436 21 E N 1.431 121.748 120.200 0.196 0.000 2.418 21 E HA -0.098 4.252 4.350 0.000 0.000 0.261 21 E C 0.210 176.998 176.600 0.313 0.000 1.070 21 E CA -0.514 56.009 56.400 0.204 0.000 0.931 21 E CB 0.415 30.195 29.700 0.133 0.000 0.954 21 E HN 0.584 nan 8.360 nan 0.000 0.439 22 H N 0.132 119.247 119.070 0.074 0.000 2.594 22 H HA -0.218 4.339 4.556 0.000 0.000 0.316 22 H C -1.160 174.151 175.328 -0.029 0.000 1.107 22 H CA 1.044 57.082 56.048 -0.016 0.000 1.133 22 H CB -1.758 27.987 29.762 -0.028 0.000 1.459 22 H HN 0.472 nan 8.280 nan 0.000 0.411 23 H N 0.638 119.659 119.070 -0.081 0.000 2.562 23 H HA 0.300 4.857 4.556 0.000 0.000 0.314 23 H C 0.452 175.696 175.328 -0.140 0.000 1.079 23 H CA -0.303 55.720 56.048 -0.041 0.000 1.349 23 H CB 0.541 30.303 29.762 0.000 0.000 1.432 23 H HN 0.430 nan 8.280 nan 0.000 0.479 24 H N 1.437 120.447 119.070 -0.100 0.000 2.551 24 H HA 0.325 4.881 4.556 0.000 0.000 0.358 24 H C -0.292 175.017 175.328 -0.032 0.000 1.151 24 H CA -0.577 55.410 56.048 -0.103 0.000 1.374 24 H CB 2.088 31.775 29.762 -0.125 0.000 1.473 24 H HN 0.294 nan 8.280 nan 0.000 0.574 25 V N 3.099 123.052 119.914 0.064 0.000 2.531 25 V HA 0.296 4.416 4.120 0.000 0.000 0.301 25 V C -0.940 175.163 176.094 0.014 0.000 1.034 25 V CA -0.604 61.715 62.300 0.033 0.000 0.865 25 V CB 1.462 33.287 31.823 0.003 0.000 0.995 25 V HN 0.451 nan 8.190 nan 0.000 0.424 26 V N 7.985 127.906 119.914 0.011 0.000 2.370 26 V HA 0.532 4.652 4.120 0.000 0.000 0.283 26 V C -0.130 175.958 176.094 -0.010 0.000 1.023 26 V CA -0.580 61.719 62.300 -0.002 0.000 0.857 26 V CB 1.316 33.136 31.823 -0.004 0.000 0.985 26 V HN 0.708 nan 8.190 nan 0.000 0.443 27 I N 3.717 124.276 120.570 -0.018 0.000 2.336 27 I HA 0.475 4.645 4.170 0.000 0.000 0.292 27 I C -0.370 175.737 176.117 -0.018 0.000 0.991 27 I CA -0.279 61.009 61.300 -0.020 0.000 1.227 27 I CB 1.384 39.367 38.000 -0.029 0.000 1.366 27 I HN 0.626 nan 8.210 nan 0.000 0.466 28 D N 4.027 124.418 120.400 -0.014 0.000 2.502 28 D HA 0.583 5.223 4.640 0.000 0.000 0.249 28 D C 0.721 177.014 176.300 -0.012 0.000 1.092 28 D CA 0.572 54.564 54.000 -0.013 0.000 0.839 28 D CB 1.757 42.550 40.800 -0.011 0.000 1.264 28 D HN 0.821 nan 8.370 nan 0.000 0.511 29 G N 4.005 112.797 108.800 -0.013 0.000 2.602 29 G HA2 -0.355 3.605 3.960 0.000 0.000 0.310 29 G HA3 -0.355 3.605 3.960 0.000 0.000 0.310 29 G C 0.699 175.590 174.900 -0.015 0.000 1.183 29 G CA 0.650 45.742 45.100 -0.013 0.000 0.979 29 G HN 0.598 nan 8.290 nan 0.000 0.545 30 E N 1.039 121.231 120.200 -0.012 0.000 2.498 30 E HA 0.212 4.562 4.350 0.000 0.000 0.203 30 E C 0.965 177.559 176.600 -0.010 0.000 1.013 30 E CA -0.148 56.244 56.400 -0.013 0.000 0.927 30 E CB 0.584 30.277 29.700 -0.011 0.000 1.012 30 E HN 0.376 nan 8.360 nan 0.000 0.482 31 R N 0.855 121.350 120.500 -0.008 0.000 2.778 31 R HA 0.485 4.825 4.340 0.000 0.000 0.277 31 R C -0.284 176.011 176.300 -0.007 0.000 0.977 31 R CA -0.821 55.276 56.100 -0.005 0.000 0.950 31 R CB 1.993 32.293 30.300 -0.001 0.000 1.165 31 R HN -0.036 nan 8.270 nan 0.000 0.474 32 I N 2.530 123.097 120.570 -0.005 0.000 2.396 32 I HA 0.008 4.178 4.170 0.000 0.000 0.289 32 I C 1.157 177.273 176.117 -0.002 0.000 1.056 32 I CA -0.088 61.208 61.300 -0.005 0.000 1.365 32 I CB 1.293 39.290 38.000 -0.005 0.000 1.407 32 I HN 0.444 nan 8.210 nan 0.000 0.509 33 V N 4.131 124.043 119.914 -0.002 0.000 3.085 33 V HA 0.181 4.301 4.120 0.000 0.000 0.245 33 V C 0.623 176.718 176.094 0.002 0.000 1.114 33 V CA 0.564 62.863 62.300 -0.001 0.000 1.108 33 V CB -0.250 31.571 31.823 -0.004 0.000 0.798 33 V HN 0.719 nan 8.190 nan 0.000 0.471 34 E N -0.158 120.045 120.200 0.005 0.000 2.321 34 E HA 0.548 4.899 4.350 0.000 0.000 0.278 34 E C -1.954 174.662 176.600 0.026 0.000 0.902 34 E CA -0.299 56.108 56.400 0.012 0.000 0.758 34 E CB 3.104 32.806 29.700 0.003 0.000 1.213 34 E HN 0.051 nan 8.360 nan 0.000 0.426 35 V N 2.568 122.507 119.914 0.041 0.000 2.407 35 V HA 0.608 4.728 4.120 0.000 0.000 0.291 35 V C -0.192 175.982 176.094 0.133 0.000 1.018 35 V CA -0.467 61.878 62.300 0.076 0.000 0.842 35 V CB 1.490 33.344 31.823 0.051 0.000 0.996 35 V HN 0.691 nan 8.190 nan 0.000 0.426 36 T N 1.789 116.444 114.554 0.169 0.000 2.840 36 T HA 0.367 4.717 4.350 0.000 0.000 0.317 36 T C -0.775 173.927 174.700 0.003 0.000 1.401 36 T CA -0.328 61.850 62.100 0.129 0.000 1.028 36 T CB 1.958 70.840 68.868 0.023 0.000 1.317 36 T HN 0.820 nan 8.240 nan 0.000 0.495 37 D N 1.322 121.580 120.400 -0.237 0.000 2.388 37 D HA 0.166 4.806 4.640 0.000 0.000 0.221 37 D C 0.521 176.757 176.300 -0.106 0.000 1.133 37 D CA -0.490 53.328 54.000 -0.304 0.000 0.831 37 D CB 0.096 40.516 40.800 -0.633 0.000 0.962 37 D HN 0.070 nan 8.370 nan 0.000 0.502 38 R N 2.121 122.543 120.500 -0.129 0.000 2.698 38 R HA 0.187 4.527 4.340 0.000 0.000 0.266 38 R C -2.132 174.005 176.300 -0.271 0.000 1.026 38 R CA -1.857 54.152 56.100 -0.151 0.000 1.102 38 R CB -0.673 29.540 30.300 -0.145 0.000 0.978 38 R HN 0.168 nan 8.270 nan 0.000 0.436 39 P HA -0.021 nan 4.420 nan 0.000 0.262 39 P C -0.241 176.915 177.300 -0.240 0.000 1.199 39 P CA 0.195 63.182 63.100 -0.189 0.000 0.763 39 P CB 0.660 32.320 31.700 -0.066 0.000 0.790 40 V N 3.217 122.927 119.914 -0.340 0.000 2.732 40 V HA 0.221 4.341 4.120 0.000 0.000 0.310 40 V C 0.110 176.126 176.094 -0.130 0.000 1.053 40 V CA -0.479 61.672 62.300 -0.247 0.000 0.957 40 V CB 1.913 33.546 31.823 -0.317 0.000 1.018 40 V HN 0.365 nan 8.190 nan 0.000 0.452 41 D N 3.849 124.197 120.400 -0.087 0.000 2.639 41 D HA 0.277 4.918 4.640 0.000 0.000 0.233 41 D C -0.100 176.177 176.300 -0.039 0.000 1.161 41 D CA -0.252 53.716 54.000 -0.054 0.000 1.003 41 D CB -0.231 40.542 40.800 -0.045 0.000 1.034 41 D HN 0.451 nan 8.370 nan 0.000 0.514 42 L N 0.919 122.122 121.223 -0.033 0.000 2.312 42 L HA 0.555 4.896 4.340 0.000 0.000 0.287 42 L C -1.641 175.220 176.870 -0.016 0.000 1.091 42 L CA -1.075 53.752 54.840 -0.022 0.000 0.846 42 L CB 0.639 42.689 42.059 -0.014 0.000 1.219 42 L HN -0.009 nan 8.230 nan 0.000 0.439 43 P HA 0.084 nan 4.420 nan 0.000 0.211 43 P C 0.194 177.488 177.300 -0.011 0.000 1.183 43 P CA 0.787 63.880 63.100 -0.013 0.000 0.901 43 P CB 0.241 31.933 31.700 -0.013 0.000 0.762 44 N N -0.827 117.866 118.700 -0.012 0.000 2.467 44 N HA 0.418 5.158 4.740 0.000 0.000 0.278 44 N C -0.784 174.717 175.510 -0.014 0.000 1.306 44 N CA -0.229 52.814 53.050 -0.012 0.000 0.905 44 N CB 0.448 38.928 38.487 -0.011 0.000 1.236 44 N HN 0.122 nan 8.380 nan 0.000 0.509 45 A N 0.414 123.225 122.820 -0.015 0.000 2.301 45 A HA 0.352 4.672 4.320 0.000 0.000 0.298 45 A C 0.117 177.689 177.584 -0.020 0.000 1.185 45 A CA -0.399 51.627 52.037 -0.018 0.000 0.830 45 A CB 0.504 19.494 19.000 -0.017 0.000 1.112 45 A HN 0.220 nan 8.150 nan 0.000 0.508 46 Q N 1.392 121.176 119.800 -0.026 0.000 2.283 46 Q HA 0.342 4.682 4.340 0.000 0.000 0.269 46 Q C 0.275 176.249 176.000 -0.044 0.000 1.187 46 Q CA 0.630 56.413 55.803 -0.034 0.000 0.922 46 Q CB 0.215 28.929 28.738 -0.040 0.000 1.323 46 Q HN 0.776 nan 8.270 nan 0.000 0.432 47 A N 4.783 127.581 122.820 -0.037 0.000 2.396 47 A HA 0.423 4.744 4.320 0.000 0.000 0.279 47 A C -0.450 177.091 177.584 -0.072 0.000 1.165 47 A CA -0.320 51.692 52.037 -0.041 0.000 0.824 47 A CB 0.040 19.029 19.000 -0.018 0.000 1.100 47 A HN 0.763 nan 8.150 nan 0.000 0.516 48 I N 2.236 122.735 120.570 -0.117 0.000 2.362 48 I HA 0.187 4.357 4.170 0.000 0.000 0.289 48 I C -0.434 175.582 176.117 -0.169 0.000 0.994 48 I CA -0.422 60.764 61.300 -0.189 0.000 1.158 48 I CB 1.916 39.706 38.000 -0.350 0.000 1.315 48 I HN 0.638 nan 8.210 nan 0.000 0.451 49 D N 5.635 125.967 120.400 -0.113 0.000 2.336 49 D HA 0.274 4.914 4.640 0.000 0.000 0.249 49 D C -0.064 176.203 176.300 -0.055 0.000 1.213 49 D CA -0.023 53.937 54.000 -0.066 0.000 0.870 49 D CB 0.963 41.753 40.800 -0.016 0.000 1.076 49 D HN 0.246 nan 8.370 nan 0.000 0.483 50 V N 5.170 125.036 119.914 -0.080 0.000 2.843 50 V HA 0.147 4.267 4.120 0.000 0.000 0.366 50 V C 0.495 176.572 176.094 -0.029 0.000 1.283 50 V CA -0.778 61.493 62.300 -0.048 0.000 1.303 50 V CB -0.705 31.067 31.823 -0.085 0.000 1.418 50 V HN 0.514 nan 8.190 nan 0.000 0.598 51 R N 1.960 122.457 120.500 -0.005 0.000 2.489 51 R HA 0.231 4.571 4.340 0.000 0.000 0.287 51 R C 0.822 177.140 176.300 0.030 0.000 1.053 51 R CA 1.013 57.127 56.100 0.024 0.000 1.036 51 R CB -0.062 30.261 30.300 0.039 0.000 0.966 51 R HN 0.789 nan 8.270 nan 0.000 0.432 52 G N 2.754 111.576 108.800 0.037 0.000 2.283 52 G HA2 -0.325 3.635 3.960 0.000 0.000 0.280 52 G HA3 -0.325 3.635 3.960 0.000 0.000 0.280 52 G C -0.511 174.403 174.900 0.024 0.000 1.029 52 G CA 0.898 46.016 45.100 0.031 0.000 0.840 52 G HN 0.689 nan 8.290 nan 0.000 0.505 53 K N -0.407 120.005 120.400 0.021 0.000 2.464 53 K HA 0.475 4.795 4.320 0.000 0.000 0.253 53 K C -0.274 176.333 176.600 0.011 0.000 0.933 53 K CA -0.722 55.577 56.287 0.020 0.000 0.801 53 K CB 1.638 34.161 32.500 0.038 0.000 1.271 53 K HN 0.050 nan 8.250 nan 0.000 0.430 54 T N 1.613 116.170 114.554 0.006 0.000 2.779 54 T HA 0.105 4.456 4.350 0.000 0.000 0.296 54 T C -0.486 174.208 174.700 -0.010 0.000 0.938 54 T CA -0.383 61.715 62.100 -0.003 0.000 1.119 54 T CB 0.693 69.558 68.868 -0.006 0.000 0.891 54 T HN 0.296 nan 8.240 nan 0.000 0.526 55 V N 7.350 127.251 119.914 -0.020 0.000 2.370 55 V HA 0.775 4.895 4.120 0.000 0.000 0.283 55 V C -0.432 175.638 176.094 -0.040 0.000 1.023 55 V CA -0.780 61.500 62.300 -0.034 0.000 0.857 55 V CB 0.510 32.307 31.823 -0.043 0.000 0.985 55 V HN 0.942 nan 8.190 nan 0.000 0.443 56 M N 6.227 125.794 119.600 -0.056 0.000 2.691 56 M HA 0.826 5.306 4.480 0.000 0.000 0.293 56 M C -2.976 173.271 176.300 -0.089 0.000 1.259 56 M CA -2.266 53.006 55.300 -0.047 0.000 0.827 56 M CB 2.116 34.714 32.600 -0.004 0.000 1.753 56 M HN 0.265 nan 8.290 nan 0.000 0.465 57 P HA 0.191 nan 4.420 nan 0.000 0.268 57 P C -0.028 177.161 177.300 -0.186 0.000 1.205 57 P CA 0.147 63.202 63.100 -0.075 0.000 0.771 57 P CB 0.270 31.966 31.700 -0.007 0.000 0.858 58 G N 2.488 111.149 108.800 -0.232 0.000 2.380 58 G HA2 0.219 4.179 3.960 0.000 0.000 0.242 58 G HA3 0.219 4.179 3.960 0.000 0.000 0.242 58 G C -0.504 174.248 174.900 -0.247 0.000 1.298 58 G CA -0.278 44.583 45.100 -0.399 0.000 0.878 58 G HN 0.219 nan 8.290 nan 0.000 0.542 59 F N 0.445 120.305 119.950 -0.149 0.000 2.450 59 F HA 0.415 4.942 4.527 0.000 0.000 0.339 59 F C 0.922 176.766 175.800 0.073 0.000 1.146 59 F CA -0.880 57.029 58.000 -0.151 0.000 1.267 59 F CB 0.581 39.241 39.000 -0.566 0.000 1.178 59 F HN 0.171 nan 8.300 nan 0.000 0.585 60 I N 1.917 122.692 120.570 0.342 0.000 2.406 60 I HA 0.214 4.384 4.170 0.000 0.000 0.290 60 I C -0.695 175.645 176.117 0.372 0.000 0.999 60 I CA -0.710 60.790 61.300 0.333 0.000 1.124 60 I CB 1.588 39.719 38.000 0.219 0.000 1.289 60 I HN 0.420 nan 8.210 nan 0.000 0.441 61 D N 5.158 125.780 120.400 0.371 0.000 2.280 61 D HA 0.246 4.886 4.640 0.000 0.000 0.236 61 D C 0.168 176.582 176.300 0.191 0.000 1.082 61 D CA -0.363 53.816 54.000 0.298 0.000 0.834 61 D CB 1.781 42.604 40.800 0.038 0.000 1.100 61 D HN 0.572 nan 8.370 nan 0.000 0.486 62 C N 2.590 121.997 119.300 0.178 0.000 2.697 62 C HA 0.151 4.611 4.460 0.000 0.000 0.267 62 C C 0.726 175.757 174.990 0.068 0.000 1.278 62 C CA -0.123 58.949 59.018 0.090 0.000 1.708 62 C CB -1.570 26.201 27.740 0.052 0.000 1.860 62 C HN 0.579 nan 8.230 nan 0.000 0.589 63 H N -0.026 119.009 119.070 -0.059 0.000 3.275 63 H HA 0.503 5.060 4.556 0.000 0.000 0.326 63 H C -0.842 174.393 175.328 -0.155 0.000 1.096 63 H CA -0.149 55.820 56.048 -0.133 0.000 1.579 63 H CB 0.709 30.372 29.762 -0.166 0.000 1.834 63 H HN 0.085 nan 8.280 nan 0.000 0.510 64 V N 1.245 121.039 119.914 -0.201 0.000 3.102 64 V HA 0.541 4.661 4.120 0.000 0.000 0.312 64 V C -0.698 175.164 176.094 -0.387 0.000 1.135 64 V CA -0.893 61.318 62.300 -0.149 0.000 1.022 64 V CB 2.527 34.325 31.823 -0.041 0.000 1.056 64 V HN 0.756 nan 8.190 nan 0.000 0.436 65 H N 1.471 120.590 119.070 0.081 0.000 2.645 65 H HA 0.390 4.946 4.556 0.000 0.000 0.257 65 H C 0.739 176.144 175.328 0.128 0.000 1.269 65 H CA -0.289 55.806 56.048 0.078 0.000 1.409 65 H CB 1.808 31.620 29.762 0.082 0.000 1.434 65 H HN 0.534 nan 8.280 nan 0.000 0.505 66 V N 2.471 122.463 119.914 0.129 0.000 2.453 66 V HA -0.273 3.847 4.120 0.000 0.000 0.252 66 V C 2.112 178.219 176.094 0.022 0.000 1.068 66 V CA 1.748 64.085 62.300 0.061 0.000 1.070 66 V CB -0.219 31.609 31.823 0.008 0.000 0.664 66 V HN 0.557 nan 8.190 nan 0.000 0.461 67 L N -0.279 120.980 121.223 0.060 0.000 2.567 67 L HA 0.316 4.656 4.340 0.000 0.000 0.225 67 L C 1.510 178.400 176.870 0.033 0.000 1.119 67 L CA 0.225 55.080 54.840 0.026 0.000 0.871 67 L CB -0.203 41.873 42.059 0.028 0.000 1.036 67 L HN 0.227 nan 8.230 nan 0.000 0.459 68 A N 0.141 123.021 122.820 0.100 0.000 2.897 68 A HA 0.153 4.473 4.320 0.000 0.000 0.287 68 A C 1.445 179.075 177.584 0.078 0.000 1.748 68 A CA 0.472 52.561 52.037 0.086 0.000 1.397 68 A CB -0.364 18.717 19.000 0.134 0.000 1.049 68 A HN 0.403 nan 8.150 nan 0.000 0.592 69 S N 1.188 116.882 115.700 -0.010 0.000 2.524 69 S HA 0.052 4.522 4.470 0.000 0.000 0.216 69 S C 0.451 175.020 174.600 -0.052 0.000 0.987 69 S CA 0.207 58.375 58.200 -0.054 0.000 0.909 69 S CB -0.437 62.717 63.200 -0.076 0.000 0.781 69 S HN 0.933 nan 8.310 nan 0.000 0.521 70 N N -1.032 117.642 118.700 -0.043 0.000 2.416 70 N HA 0.661 5.401 4.740 0.000 0.000 0.276 70 N C 0.222 175.705 175.510 -0.044 0.000 1.261 70 N CA -0.402 52.616 53.050 -0.053 0.000 0.790 70 N CB 1.102 39.554 38.487 -0.059 0.000 1.554 70 N HN -0.059 nan 8.380 nan 0.000 0.481 71 A N 0.401 123.207 122.820 -0.023 0.000 2.168 71 A HA -0.016 4.304 4.320 0.000 0.000 0.215 71 A C 0.672 178.238 177.584 -0.030 0.000 1.152 71 A CA 0.518 52.557 52.037 0.005 0.000 0.716 71 A CB -0.704 18.346 19.000 0.084 0.000 0.794 71 A HN 0.702 nan 8.150 nan 0.000 0.465 72 N N 0.901 119.564 118.700 -0.061 0.000 2.500 72 N HA 0.303 5.043 4.740 0.000 0.000 0.236 72 N C 0.510 175.877 175.510 -0.238 0.000 1.022 72 N CA -0.188 52.792 53.050 -0.116 0.000 0.935 72 N CB 0.622 39.063 38.487 -0.075 0.000 1.147 72 N HN 0.295 nan 8.380 nan 0.000 0.512 73 L N 2.200 123.186 121.223 -0.395 0.000 2.201 73 L HA 0.010 4.351 4.340 0.000 0.000 0.212 73 L C 2.284 178.615 176.870 -0.899 0.000 1.105 73 L CA 0.901 55.358 54.840 -0.637 0.000 0.775 73 L CB -0.262 41.321 42.059 -0.794 0.000 0.913 73 L HN 0.546 nan 8.230 nan 0.000 0.440 74 G N -0.282 107.995 108.800 -0.873 0.000 2.491 74 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 74 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 74 G C 1.607 176.364 174.900 -0.238 0.000 1.180 74 G CA 1.109 45.923 45.100 -0.477 0.000 0.774 74 G HN 0.211 nan 8.290 nan 0.000 0.562 75 V N 0.697 120.501 119.914 -0.184 0.000 2.719 75 V HA -0.050 4.071 4.120 0.000 0.000 0.252 75 V C 2.449 178.483 176.094 -0.100 0.000 1.065 75 V CA 1.998 64.237 62.300 -0.103 0.000 1.086 75 V CB -0.339 31.443 31.823 -0.069 0.000 0.700 75 V HN 0.484 nan 8.190 nan 0.000 0.467 76 N N 0.534 119.150 118.700 -0.139 0.000 2.104 76 N HA -0.165 4.575 4.740 0.000 0.000 0.190 76 N C 1.788 177.246 175.510 -0.087 0.000 1.024 76 N CA 1.767 54.749 53.050 -0.112 0.000 0.853 76 N CB -0.323 38.079 38.487 -0.142 0.000 1.008 76 N HN 0.491 nan 8.380 nan 0.000 0.424 77 A N -0.787 121.965 122.820 -0.113 0.000 2.019 77 A HA -0.108 4.212 4.320 0.000 0.000 0.219 77 A C 2.063 179.642 177.584 -0.008 0.000 1.164 77 A CA 1.974 53.987 52.037 -0.040 0.000 0.644 77 A CB -0.944 18.048 19.000 -0.013 0.000 0.805 77 A HN 0.570 nan 8.150 nan 0.000 0.449 78 T N -1.333 113.206 114.554 -0.025 0.000 3.107 78 T HA 0.150 4.500 4.350 0.000 0.000 0.249 78 T C 0.795 175.491 174.700 -0.007 0.000 1.096 78 T CA 0.210 62.306 62.100 -0.006 0.000 1.012 78 T CB -0.420 68.443 68.868 -0.008 0.000 0.977 78 T HN 0.716 nan 8.240 nan 0.000 0.527 79 Q N 1.714 121.504 119.800 -0.016 0.000 2.373 79 Q HA 0.363 4.703 4.340 0.000 0.000 0.255 79 Q C -2.771 173.226 176.000 -0.005 0.000 0.980 79 Q CA -2.072 53.722 55.803 -0.014 0.000 0.882 79 Q CB 0.009 28.732 28.738 -0.024 0.000 1.249 79 Q HN 0.058 nan 8.270 nan 0.000 0.438 80 P HA -0.042 nan 4.420 nan 0.000 0.266 80 P C -0.151 177.151 177.300 0.003 0.000 1.193 80 P CA -0.077 63.024 63.100 0.001 0.000 0.770 80 P CB 0.544 32.243 31.700 -0.002 0.000 0.836 81 N N 2.289 120.995 118.700 0.010 0.000 2.043 81 N HA -0.160 4.581 4.740 0.000 0.000 0.193 81 N C 1.508 177.022 175.510 0.008 0.000 1.037 81 N CA 1.057 54.116 53.050 0.015 0.000 0.851 81 N CB -0.821 37.681 38.487 0.023 0.000 1.027 81 N HN 0.462 nan 8.380 nan 0.000 0.422 82 I N 0.407 120.980 120.570 0.004 0.000 2.394 82 I HA -0.125 4.045 4.170 0.000 0.000 0.251 82 I C 1.599 177.711 176.117 -0.008 0.000 1.136 82 I CA 1.037 62.336 61.300 -0.001 0.000 1.425 82 I CB -0.511 37.489 38.000 -0.001 0.000 1.079 82 I HN 0.103 nan 8.210 nan 0.000 0.425 83 L N 1.182 122.399 121.223 -0.010 0.000 2.072 83 L HA -0.098 4.242 4.340 0.000 0.000 0.205 83 L C 2.973 179.830 176.870 -0.021 0.000 1.079 83 L CA 1.267 56.097 54.840 -0.016 0.000 0.752 83 L CB -0.689 41.360 42.059 -0.016 0.000 0.906 83 L HN 0.284 nan 8.230 nan 0.000 0.436 84 A N 0.107 122.917 122.820 -0.016 0.000 1.917 84 A HA -0.281 4.040 4.320 0.000 0.000 0.219 84 A C 2.469 180.041 177.584 -0.020 0.000 1.182 84 A CA 2.100 54.127 52.037 -0.018 0.000 0.633 84 A CB -0.763 18.233 19.000 -0.007 0.000 0.819 84 A HN 0.459 nan 8.150 nan 0.000 0.448 85 A N -0.176 122.635 122.820 -0.015 0.000 1.855 85 A HA -0.025 4.295 4.320 0.000 0.000 0.215 85 A C 1.982 179.548 177.584 -0.029 0.000 1.191 85 A CA 1.646 53.672 52.037 -0.018 0.000 0.613 85 A CB -0.570 18.424 19.000 -0.011 0.000 0.829 85 A HN 0.381 nan 8.150 nan 0.000 0.442 86 I N 0.151 120.704 120.570 -0.028 0.000 2.118 86 I HA -0.242 3.928 4.170 0.000 0.000 0.241 86 I C 2.433 178.523 176.117 -0.045 0.000 1.070 86 I CA 1.551 62.831 61.300 -0.034 0.000 1.327 86 I CB -1.333 36.650 38.000 -0.029 0.000 1.034 86 I HN 0.327 nan 8.210 nan 0.000 0.405 87 R N 0.401 120.872 120.500 -0.049 0.000 2.285 87 R HA -0.081 4.259 4.340 0.000 0.000 0.213 87 R C 2.241 178.490 176.300 -0.086 0.000 1.068 87 R CA 1.201 57.262 56.100 -0.065 0.000 1.004 87 R CB -0.236 30.026 30.300 -0.063 0.000 0.873 87 R HN 0.530 nan 8.270 nan 0.000 0.467 88 S N 0.076 115.731 115.700 -0.076 0.000 2.496 88 S HA 0.031 4.501 4.470 0.000 0.000 0.224 88 S C 1.937 176.482 174.600 -0.092 0.000 0.996 88 S CA 0.168 58.313 58.200 -0.092 0.000 0.927 88 S CB -0.039 63.123 63.200 -0.063 0.000 0.774 88 S HN 0.204 nan 8.310 nan 0.000 0.524 89 L N 1.350 122.529 121.223 -0.074 0.000 1.994 89 L HA 0.011 4.351 4.340 0.000 0.000 0.208 89 L C -0.489 176.340 176.870 -0.068 0.000 1.071 89 L CA 1.539 56.341 54.840 -0.064 0.000 0.745 89 L CB -1.992 40.036 42.059 -0.051 0.000 0.892 89 L HN 0.284 nan 8.230 nan 0.000 0.431 90 P HA -0.164 nan 4.420 nan 0.000 0.215 90 P C 1.857 179.099 177.300 -0.098 0.000 1.153 90 P CA 1.439 64.493 63.100 -0.078 0.000 0.853 90 P CB 0.038 31.688 31.700 -0.084 0.000 0.788 91 I N -1.507 118.971 120.570 -0.153 0.000 2.208 91 I HA -0.256 3.914 4.170 0.000 0.000 0.245 91 I C 2.347 178.396 176.117 -0.114 0.000 1.097 91 I CA 1.430 62.596 61.300 -0.223 0.000 1.363 91 I CB -0.602 37.159 38.000 -0.398 0.000 1.051 91 I HN -0.089 nan 8.210 nan 0.000 0.413 92 L N -0.063 121.110 121.223 -0.083 0.000 2.005 92 L HA -0.238 4.102 4.340 0.000 0.000 0.207 92 L C 2.272 179.134 176.870 -0.014 0.000 1.072 92 L CA 1.497 56.312 54.840 -0.040 0.000 0.744 92 L CB -0.565 41.467 42.059 -0.045 0.000 0.895 92 L HN 0.227 nan 8.230 nan 0.000 0.433 93 D N -0.052 120.334 120.400 -0.024 0.000 2.116 93 D HA -0.223 4.418 4.640 0.000 0.000 0.193 93 D C 2.119 178.427 176.300 0.014 0.000 0.998 93 D CA 1.609 55.604 54.000 -0.009 0.000 0.836 93 D CB 0.078 40.865 40.800 -0.021 0.000 0.951 93 D HN 0.291 nan 8.370 nan 0.000 0.449 94 A N -0.193 122.631 122.820 0.008 0.000 1.933 94 A HA -0.151 4.170 4.320 0.000 0.000 0.218 94 A C 2.331 179.973 177.584 0.096 0.000 1.175 94 A CA 1.413 53.471 52.037 0.035 0.000 0.628 94 A CB -0.564 18.442 19.000 0.010 0.000 0.814 94 A HN 0.286 nan 8.150 nan 0.000 0.444 95 M N -1.365 118.295 119.600 0.101 0.000 2.117 95 M HA -0.145 4.336 4.480 0.000 0.000 0.262 95 M C 2.171 178.631 176.300 0.267 0.000 1.065 95 M CA 1.434 56.845 55.300 0.185 0.000 1.114 95 M CB -0.372 32.293 32.600 0.107 0.000 1.361 95 M HN 0.469 nan 8.290 nan 0.000 0.408 96 L N -0.228 121.085 121.223 0.151 0.000 2.093 96 L HA -0.086 4.255 4.340 0.000 0.000 0.208 96 L C 2.341 179.267 176.870 0.092 0.000 1.085 96 L CA 1.789 56.697 54.840 0.113 0.000 0.755 96 L CB -0.584 41.505 42.059 0.051 0.000 0.904 96 L HN 0.119 nan 8.230 nan 0.000 0.435 97 S N -0.503 115.249 115.700 0.087 0.000 2.402 97 S HA -0.084 4.386 4.470 0.000 0.000 0.229 97 S C 1.826 176.482 174.600 0.093 0.000 1.021 97 S CA 0.845 59.082 58.200 0.062 0.000 0.974 97 S CB -0.284 62.944 63.200 0.047 0.000 0.800 97 S HN 0.463 nan 8.310 nan 0.000 0.484 98 R N 0.369 120.981 120.500 0.186 0.000 2.323 98 R HA 0.110 4.450 4.340 0.000 0.000 0.198 98 R C 1.449 177.864 176.300 0.192 0.000 0.988 98 R CA 0.604 56.858 56.100 0.257 0.000 1.041 98 R CB -0.070 30.499 30.300 0.448 0.000 0.926 98 R HN 0.496 nan 8.270 nan 0.000 0.476 99 G N 0.219 109.056 108.800 0.062 0.000 2.179 99 G HA2 -0.237 3.723 3.960 0.000 0.000 0.220 99 G HA3 -0.237 3.723 3.960 0.000 0.000 0.220 99 G C -0.137 174.559 174.900 -0.340 0.000 0.990 99 G CA -0.675 44.281 45.100 -0.241 0.000 0.646 99 G HN 0.183 nan 8.290 nan 0.000 0.517 100 F N 2.436 122.456 119.950 0.115 0.000 2.404 100 F HA 0.453 4.981 4.527 0.000 0.000 0.359 100 F C 1.824 177.647 175.800 0.038 0.000 1.134 100 F CA 0.647 58.725 58.000 0.129 0.000 1.160 100 F CB 1.450 40.554 39.000 0.173 0.000 1.186 100 F HN 0.088 nan 8.300 nan 0.000 0.526 101 T N -2.306 112.318 114.554 0.116 0.000 3.060 101 T HA 0.222 4.572 4.350 0.000 0.000 0.249 101 T C 0.455 175.206 174.700 0.086 0.000 1.079 101 T CA -0.076 62.057 62.100 0.054 0.000 1.013 101 T CB 0.082 68.935 68.868 -0.024 0.000 0.975 101 T HN 0.314 nan 8.240 nan 0.000 0.518 102 S N 0.783 116.584 115.700 0.168 0.000 2.546 102 S HA 0.658 5.128 4.470 0.000 0.000 0.272 102 S C -1.012 173.732 174.600 0.239 0.000 1.140 102 S CA -0.855 57.451 58.200 0.177 0.000 0.920 102 S CB 2.269 65.621 63.200 0.254 0.000 1.083 102 S HN 0.589 nan 8.310 nan 0.000 0.476 103 V N 0.822 120.849 119.914 0.189 0.000 2.789 103 V HA 0.712 4.832 4.120 0.000 0.000 0.311 103 V C -0.601 175.626 176.094 0.221 0.000 1.073 103 V CA -1.145 61.258 62.300 0.172 0.000 0.921 103 V CB 1.822 33.691 31.823 0.077 0.000 1.009 103 V HN 0.867 nan 8.190 nan 0.000 0.426 104 R N 2.727 123.335 120.500 0.180 0.000 2.204 104 R HA 0.306 4.646 4.340 0.000 0.000 0.341 104 R C -0.425 175.863 176.300 -0.020 0.000 1.035 104 R CA -0.356 55.829 56.100 0.140 0.000 0.887 104 R CB 0.587 30.931 30.300 0.075 0.000 1.114 104 R HN 1.023 nan 8.270 nan 0.000 0.473 105 D N 3.115 123.495 120.400 -0.033 0.000 2.308 105 D HA 0.082 4.722 4.640 0.000 0.000 0.251 105 D C -0.471 175.695 176.300 -0.223 0.000 1.127 105 D CA 0.075 53.990 54.000 -0.140 0.000 0.876 105 D CB 1.427 42.188 40.800 -0.064 0.000 1.176 105 D HN 0.672 nan 8.370 nan 0.000 0.446 106 A N 3.026 125.571 122.820 -0.458 0.000 2.842 106 A HA 0.551 4.871 4.320 0.000 0.000 0.298 106 A C 0.552 178.057 177.584 -0.131 0.000 1.293 106 A CA 0.200 51.960 52.037 -0.461 0.000 0.959 106 A CB -0.264 18.107 19.000 -1.048 0.000 1.119 106 A HN 0.728 nan 8.150 nan 0.000 0.564 107 G N -1.840 106.945 108.800 -0.026 0.000 3.313 107 G HA2 0.489 4.449 3.960 0.000 0.000 0.659 107 G HA3 0.489 4.449 3.960 0.000 0.000 0.659 107 G C 0.539 175.529 174.900 0.151 0.000 1.286 107 G CA 0.238 45.395 45.100 0.094 0.000 1.077 107 G HN 2.058 nan 8.290 nan 0.000 0.551 108 G N 0.702 109.540 108.800 0.063 0.000 3.038 108 G HA2 0.435 4.395 3.960 0.000 0.000 0.197 108 G HA3 0.435 4.395 3.960 0.000 0.000 0.197 108 G C 1.122 176.040 174.900 0.029 0.000 1.925 108 G CA 1.310 46.444 45.100 0.058 0.000 1.405 108 G HN 2.556 nan 8.290 nan 0.000 0.524 109 A N 1.644 124.479 122.820 0.025 0.000 2.462 109 A HA 0.545 4.865 4.320 0.000 0.000 0.243 109 A C 0.432 178.027 177.584 0.018 0.000 1.076 109 A CA 1.356 53.401 52.037 0.012 0.000 0.773 109 A CB 0.037 19.035 19.000 -0.003 0.000 1.010 109 A HN 1.157 nan 8.150 nan 0.000 0.493 110 D N 0.138 120.559 120.400 0.033 0.000 2.712 110 D HA 0.154 4.794 4.640 0.000 0.000 0.252 110 D C 0.585 176.957 176.300 0.121 0.000 1.123 110 D CA -0.705 53.343 54.000 0.080 0.000 1.109 110 D CB -0.246 40.611 40.800 0.095 0.000 1.313 110 D HN 0.542 nan 8.370 nan 0.000 0.629 111 W N 0.553 121.838 121.300 -0.025 0.000 2.425 111 W HA -0.066 4.594 4.660 0.001 0.000 0.277 111 W C 1.722 178.225 176.519 -0.025 0.000 1.231 111 W CA 1.969 59.299 57.345 -0.025 0.000 1.248 111 W CB -0.087 29.363 29.460 -0.017 0.000 1.117 111 W HN 0.308 nan 8.180 nan 0.000 0.568 112 S N 0.905 116.662 115.700 0.094 0.000 2.382 112 S HA -0.221 4.250 4.470 0.000 0.000 0.228 112 S C 1.898 176.387 174.600 -0.186 0.000 1.027 112 S CA 1.365 59.502 58.200 -0.106 0.000 0.991 112 S CB -0.840 62.398 63.200 0.063 0.000 0.823 112 S HN 0.351 nan 8.310 nan 0.000 0.469 113 L N 0.884 122.043 121.223 -0.107 0.000 2.093 113 L HA -0.017 4.323 4.340 0.000 0.000 0.208 113 L C 2.629 179.397 176.870 -0.170 0.000 1.085 113 L CA 1.300 56.072 54.840 -0.114 0.000 0.755 113 L CB -0.375 41.646 42.059 -0.064 0.000 0.904 113 L HN 0.417 nan 8.230 nan 0.000 0.435 114 M N -0.930 118.547 119.600 -0.206 0.000 2.108 114 M HA -0.276 4.204 4.480 0.000 0.000 0.261 114 M C 2.239 178.338 176.300 -0.335 0.000 1.066 114 M CA 1.723 56.868 55.300 -0.257 0.000 1.107 114 M CB -0.060 32.391 32.600 -0.248 0.000 1.356 114 M HN 0.232 nan 8.290 nan 0.000 0.406 115 Q N 0.101 119.607 119.800 -0.490 0.000 2.079 115 Q HA -0.062 4.279 4.340 0.000 0.000 0.200 115 Q C 2.195 178.017 176.000 -0.298 0.000 0.974 115 Q CA 1.837 57.339 55.803 -0.501 0.000 0.840 115 Q CB -0.683 27.592 28.738 -0.773 0.000 0.898 115 Q HN 0.706 nan 8.270 nan 0.000 0.430 116 A N 0.788 123.463 122.820 -0.242 0.000 1.940 116 A HA -0.155 4.165 4.320 0.000 0.000 0.219 116 A C 2.276 179.781 177.584 -0.133 0.000 1.176 116 A CA 2.038 53.980 52.037 -0.159 0.000 0.631 116 A CB -0.820 18.106 19.000 -0.123 0.000 0.814 116 A HN 0.309 nan 8.150 nan 0.000 0.446 117 V N -2.464 117.366 119.914 -0.141 0.000 2.488 117 V HA -0.122 3.998 4.120 0.000 0.000 0.246 117 V C 1.860 177.883 176.094 -0.118 0.000 1.046 117 V CA 2.258 64.488 62.300 -0.116 0.000 1.053 117 V CB -0.828 30.929 31.823 -0.110 0.000 0.679 117 V HN 0.561 nan 8.190 nan 0.000 0.458 118 E N 1.073 121.184 120.200 -0.148 0.000 2.208 118 E HA -0.111 4.239 4.350 0.000 0.000 0.193 118 E C 2.185 178.720 176.600 -0.108 0.000 0.988 118 E CA 1.614 57.934 56.400 -0.133 0.000 0.828 118 E CB -0.122 29.481 29.700 -0.161 0.000 0.763 118 E HN 0.896 nan 8.360 nan 0.000 0.478 119 T N -3.420 111.064 114.554 -0.116 0.000 3.107 119 T HA 0.215 4.566 4.350 0.000 0.000 0.249 119 T C 1.417 176.074 174.700 -0.071 0.000 1.096 119 T CA 0.388 62.435 62.100 -0.089 0.000 1.012 119 T CB 0.604 69.415 68.868 -0.095 0.000 0.977 119 T HN 0.214 nan 8.240 nan 0.000 0.527 120 G N 0.986 109.742 108.800 -0.074 0.000 2.143 120 G HA2 -0.227 3.733 3.960 0.000 0.000 0.248 120 G HA3 -0.227 3.733 3.960 0.000 0.000 0.248 120 G C 0.472 175.339 174.900 -0.054 0.000 0.991 120 G CA 0.302 45.367 45.100 -0.058 0.000 0.689 120 G HN 0.502 nan 8.290 nan 0.000 0.522 121 L N -0.559 120.626 121.223 -0.064 0.000 2.376 121 L HA 0.465 4.805 4.340 0.000 0.000 0.219 121 L C 1.069 177.907 176.870 -0.053 0.000 1.133 121 L CA 1.148 55.954 54.840 -0.057 0.000 0.816 121 L CB 0.394 42.414 42.059 -0.065 0.000 0.933 121 L HN 0.242 nan 8.230 nan 0.000 0.449 122 V N -1.638 118.241 119.914 -0.059 0.000 2.851 122 V HA 0.271 4.391 4.120 0.000 0.000 0.307 122 V C -0.417 175.646 176.094 -0.051 0.000 1.129 122 V CA -0.806 61.461 62.300 -0.054 0.000 0.932 122 V CB 2.125 33.911 31.823 -0.062 0.000 1.024 122 V HN -0.051 nan 8.190 nan 0.000 0.426 123 S N 2.608 118.283 115.700 -0.041 0.000 2.474 123 S HA 0.792 5.263 4.470 0.000 0.000 0.276 123 S C 0.216 174.796 174.600 -0.033 0.000 1.227 123 S CA 0.593 58.772 58.200 -0.034 0.000 1.050 123 S CB 0.367 63.551 63.200 -0.026 0.000 0.939 123 S HN 1.389 nan 8.310 nan 0.000 0.490 124 G N 4.649 113.431 108.800 -0.031 0.000 2.342 124 G HA2 0.454 4.415 3.960 0.000 0.000 0.297 124 G HA3 0.454 4.415 3.960 0.000 0.000 0.297 124 G C -3.571 171.320 174.900 -0.015 0.000 1.313 124 G CA -0.873 44.216 45.100 -0.019 0.000 0.830 124 G HN 0.476 nan 8.290 nan 0.000 0.506 125 P HA 0.287 nan 4.420 nan 0.000 0.269 125 P C -0.033 177.236 177.300 -0.052 0.000 1.215 125 P CA -0.416 62.691 63.100 0.011 0.000 0.780 125 P CB 0.497 32.239 31.700 0.069 0.000 0.898 126 R N 2.566 123.015 120.500 -0.086 0.000 2.585 126 R HA 0.102 4.443 4.340 0.000 0.000 0.275 126 R C -0.422 175.724 176.300 -0.256 0.000 1.018 126 R CA 0.257 56.236 56.100 -0.203 0.000 1.072 126 R CB -0.460 29.685 30.300 -0.258 0.000 0.953 126 R HN 0.407 nan 8.270 nan 0.000 0.419 127 I N 4.981 125.367 120.570 -0.306 0.000 2.392 127 I HA 0.226 4.397 4.170 0.000 0.000 0.295 127 I C -0.579 175.299 176.117 -0.398 0.000 0.985 127 I CA -0.622 60.532 61.300 -0.243 0.000 1.221 127 I CB 1.348 39.269 38.000 -0.131 0.000 1.366 127 I HN 0.518 nan 8.210 nan 0.000 0.467 128 F N 6.753 126.699 119.950 -0.008 0.000 2.291 128 F HA 0.344 4.871 4.527 0.000 0.000 0.368 128 F C -2.112 173.673 175.800 -0.025 0.000 1.085 128 F CA -2.168 55.830 58.000 -0.004 0.000 1.165 128 F CB 0.865 39.869 39.000 0.008 0.000 1.429 128 F HN 0.201 nan 8.300 nan 0.000 0.503 129 P HA 0.156 nan 4.420 nan 0.000 0.284 129 P C -0.033 177.284 177.300 0.028 0.000 1.253 129 P CA -0.287 62.844 63.100 0.051 0.000 0.800 129 P CB 1.922 33.653 31.700 0.052 0.000 0.961 130 S N 1.202 116.893 115.700 -0.015 0.000 2.548 130 S HA 0.236 4.706 4.470 0.000 0.000 0.215 130 S C 1.395 175.969 174.600 -0.042 0.000 0.976 130 S CA 0.494 58.666 58.200 -0.047 0.000 0.908 130 S CB -0.536 62.624 63.200 -0.067 0.000 0.781 130 S HN 0.876 nan 8.310 nan 0.000 0.519 131 G N 2.484 111.270 108.800 -0.023 0.000 2.601 131 G HA2 -0.291 3.670 3.960 0.000 0.000 0.306 131 G HA3 -0.291 3.670 3.960 0.000 0.000 0.306 131 G C -0.370 174.489 174.900 -0.068 0.000 1.172 131 G CA 0.187 45.261 45.100 -0.044 0.000 0.966 131 G HN 0.447 nan 8.290 nan 0.000 0.542 132 K N 1.138 121.468 120.400 -0.117 0.000 2.259 132 K HA 0.708 5.028 4.320 0.000 0.000 0.252 132 K C 0.207 176.768 176.600 -0.064 0.000 0.936 132 K CA -0.153 56.066 56.287 -0.113 0.000 0.810 132 K CB 2.298 34.651 32.500 -0.246 0.000 1.143 132 K HN 0.969 nan 8.250 nan 0.000 0.427 133 A N 3.210 126.024 122.820 -0.011 0.000 2.445 133 A HA 0.259 4.580 4.320 0.000 0.000 0.242 133 A C 0.054 177.651 177.584 0.022 0.000 1.075 133 A CA -0.304 51.746 52.037 0.022 0.000 0.777 133 A CB -0.031 19.007 19.000 0.063 0.000 1.013 133 A HN 0.640 nan 8.150 nan 0.000 0.493 134 L N 1.945 123.204 121.223 0.061 0.000 2.292 134 L HA 0.535 4.876 4.340 0.000 0.000 0.284 134 L C 0.543 177.545 176.870 0.218 0.000 1.065 134 L CA -0.149 54.763 54.840 0.121 0.000 0.806 134 L CB 1.339 43.461 42.059 0.104 0.000 1.175 134 L HN 0.681 nan 8.230 nan 0.000 0.431 135 S N 2.065 117.863 115.700 0.163 0.000 2.547 135 S HA 0.383 4.854 4.470 0.000 0.000 0.281 135 S C -0.546 173.993 174.600 -0.102 0.000 1.118 135 S CA -0.862 57.336 58.200 -0.004 0.000 0.947 135 S CB 1.680 64.816 63.200 -0.107 0.000 1.053 135 S HN 0.671 nan 8.310 nan 0.000 0.482 136 Q N 2.299 121.763 119.800 -0.560 0.000 2.631 136 Q HA 0.356 4.696 4.340 0.000 0.000 0.210 136 Q C -0.342 175.535 176.000 -0.206 0.000 1.094 136 Q CA -0.273 55.268 55.803 -0.438 0.000 1.055 136 Q CB -0.297 28.036 28.738 -0.675 0.000 1.261 136 Q HN 0.480 nan 8.270 nan 0.000 0.615 137 T N 0.529 115.008 114.554 -0.125 0.000 2.814 137 T HA 0.410 4.760 4.350 0.000 0.000 0.297 137 T C 0.824 175.465 174.700 -0.097 0.000 0.956 137 T CA 0.571 62.620 62.100 -0.084 0.000 1.123 137 T CB 0.305 69.148 68.868 -0.041 0.000 0.902 137 T HN 0.946 nan 8.240 nan 0.000 0.528 138 G N 2.723 111.465 108.800 -0.097 0.000 2.143 138 G HA2 -0.145 3.815 3.960 0.000 0.000 0.248 138 G HA3 -0.145 3.815 3.960 0.000 0.000 0.248 138 G C 0.454 175.290 174.900 -0.107 0.000 0.991 138 G CA -0.168 44.880 45.100 -0.086 0.000 0.689 138 G HN 1.104 nan 8.290 nan 0.000 0.522 139 G N -1.926 106.782 108.800 -0.154 0.000 2.537 139 G HA2 0.481 4.442 3.960 0.000 0.000 0.297 139 G HA3 0.481 4.442 3.960 0.000 0.000 0.297 139 G C 0.538 175.344 174.900 -0.156 0.000 1.310 139 G CA 0.347 45.355 45.100 -0.154 0.000 1.027 139 G HN 0.564 nan 8.290 nan 0.000 0.505 140 H N -0.999 117.940 119.070 -0.218 0.000 2.543 140 H HA 0.000 4.556 4.556 0.000 0.000 0.286 140 H C 2.181 177.258 175.328 -0.419 0.000 1.037 140 H CA 1.774 57.674 56.048 -0.246 0.000 1.250 140 H CB 0.007 29.623 29.762 -0.243 0.000 1.373 140 H HN 0.419 nan 8.280 nan 0.000 0.580 141 G N -1.234 107.260 108.800 -0.510 0.000 3.020 141 G HA2 -0.050 3.910 3.960 0.000 0.000 0.217 141 G HA3 -0.050 3.910 3.960 0.000 0.000 0.217 141 G C -0.117 174.246 174.900 -0.895 0.000 1.144 141 G CA -0.055 44.620 45.100 -0.709 0.000 0.760 141 G HN 0.291 nan 8.290 nan 0.000 0.548 142 D N 0.225 120.238 120.400 -0.645 0.000 2.339 142 D HA 0.261 4.901 4.640 0.000 0.000 0.241 142 D C -0.160 175.850 176.300 -0.483 0.000 1.183 142 D CA -0.703 53.035 54.000 -0.436 0.000 0.859 142 D CB 0.635 41.303 40.800 -0.220 0.000 1.067 142 D HN 0.023 nan 8.370 nan 0.000 0.484 143 F N 2.143 122.071 119.950 -0.037 0.000 2.641 143 F HA 0.251 4.779 4.527 0.000 0.000 0.302 143 F C 1.175 176.964 175.800 -0.018 0.000 1.098 143 F CA -0.382 57.596 58.000 -0.036 0.000 1.318 143 F CB 0.085 39.059 39.000 -0.043 0.000 1.035 143 F HN -0.000 nan 8.300 nan 0.000 0.551 144 R N 2.448 123.004 120.500 0.093 0.000 2.442 144 R HA 0.186 4.526 4.340 0.000 0.000 0.291 144 R C -2.132 174.199 176.300 0.053 0.000 1.069 144 R CA -1.512 54.628 56.100 0.066 0.000 1.022 144 R CB -0.113 30.207 30.300 0.034 0.000 0.976 144 R HN -0.046 nan 8.270 nan 0.000 0.443 145 P HA 0.010 nan 4.420 nan 0.000 0.272 145 P C -0.379 176.936 177.300 0.026 0.000 1.240 145 P CA -0.341 62.783 63.100 0.041 0.000 0.791 145 P CB 0.677 32.399 31.700 0.036 0.000 0.978 151 E N 0.560 120.765 120.200 0.008 0.000 2.936 151 E HA -0.047 4.303 4.350 0.000 0.000 0.328 151 E C -1.595 175.010 176.600 0.007 0.000 0.912 151 E CA 0.580 56.984 56.400 0.006 0.000 1.060 151 E CB -1.400 28.302 29.700 0.004 0.000 1.475 151 E HN 0.767 nan 8.360 nan 0.000 0.395 152 P HA -0.147 nan 4.420 nan 0.000 0.215 152 P C 0.957 178.262 177.300 0.008 0.000 0.941 152 P CA 1.351 64.456 63.100 0.009 0.000 0.989 152 P CB -0.037 31.670 31.700 0.012 0.000 0.613 153 C N -4.782 114.524 119.300 0.009 0.000 3.337 153 C HA 0.368 4.829 4.460 0.000 0.000 0.178 153 C C 0.628 175.624 174.990 0.010 0.000 2.610 153 C CA 1.211 60.234 59.018 0.007 0.000 0.969 153 C CB 0.297 28.037 27.740 -0.001 0.000 1.343 153 C HN 0.943 nan 8.230 nan 0.000 0.676 154 S N -1.886 113.815 115.700 0.001 0.000 4.104 154 S HA -0.146 4.324 4.470 0.000 0.000 0.635 154 S C -0.286 174.292 174.600 -0.037 0.000 1.530 154 S CA 0.787 58.987 58.200 -0.000 0.000 2.034 154 S CB -1.520 61.698 63.200 0.030 0.000 0.323 154 S HN 2.396 nan 8.310 nan 0.000 1.386 155 C N 0.941 120.206 119.300 -0.060 0.000 4.585 155 C HA -0.008 4.452 4.460 0.000 0.000 0.310 155 C C 0.412 175.227 174.990 -0.292 0.000 1.096 155 C CA -0.068 58.839 59.018 -0.186 0.000 2.659 155 C CB -2.823 24.833 27.740 -0.140 0.000 1.196 155 C HN 0.989 nan 8.230 nan 0.000 0.709 156 C N 0.633 119.796 119.300 -0.229 0.000 2.454 156 C HA 0.693 5.153 4.460 0.000 0.000 0.336 156 C C 0.218 175.101 174.990 -0.178 0.000 1.189 156 C CA -0.239 58.605 59.018 -0.289 0.000 1.877 156 C CB 0.877 28.540 27.740 -0.128 0.000 2.348 156 C HN 0.573 nan 8.230 nan 0.000 0.508 157 F N 4.530 124.492 119.950 0.019 0.000 2.404 157 F HA 0.301 4.828 4.527 0.000 0.000 0.359 157 F C 1.147 176.961 175.800 0.023 0.000 1.134 157 F CA -0.561 57.453 58.000 0.024 0.000 1.160 157 F CB 0.391 39.406 39.000 0.025 0.000 1.186 157 F HN 0.374 nan 8.300 nan 0.000 0.526 158 R N 1.435 122.069 120.500 0.223 0.000 2.522 158 R HA 0.021 4.361 4.340 0.000 0.000 0.284 158 R C 1.230 177.598 176.300 0.113 0.000 1.032 158 R CA 0.161 56.338 56.100 0.128 0.000 1.049 158 R CB 0.123 30.482 30.300 0.098 0.000 0.956 158 R HN 0.676 nan 8.270 nan 0.000 0.422 159 T N -1.401 113.201 114.554 0.079 0.000 3.118 159 T HA -0.017 4.333 4.350 0.000 0.000 0.260 159 T C 1.496 176.219 174.700 0.038 0.000 1.139 159 T CA 0.782 62.917 62.100 0.060 0.000 1.085 159 T CB 0.189 69.086 68.868 0.048 0.000 0.934 159 T HN 0.655 nan 8.240 nan 0.000 0.518 160 G N 0.515 109.334 108.800 0.032 0.000 3.189 160 G HA2 0.523 4.484 3.960 0.000 0.000 0.225 160 G HA3 0.523 4.484 3.960 0.000 0.000 0.225 160 G C 0.433 175.343 174.900 0.017 0.000 1.159 160 G CA -0.095 45.013 45.100 0.014 0.000 0.763 160 G HN 0.746 nan 8.290 nan 0.000 0.549 161 A N 0.941 123.788 122.820 0.045 0.000 2.302 161 A HA 0.551 4.871 4.320 0.000 0.000 0.295 161 A C 1.286 178.907 177.584 0.061 0.000 1.235 161 A CA -0.526 51.551 52.037 0.068 0.000 0.876 161 A CB 0.429 19.495 19.000 0.109 0.000 1.133 161 A HN 0.048 nan 8.150 nan 0.000 0.533 162 I N 1.619 122.239 120.570 0.083 0.000 2.163 162 I HA -0.142 4.029 4.170 0.000 0.000 0.243 162 I C 1.551 177.714 176.117 0.076 0.000 1.085 162 I CA 1.905 63.259 61.300 0.090 0.000 1.347 162 I CB -1.380 36.660 38.000 0.067 0.000 1.044 162 I HN 0.671 nan 8.210 nan 0.000 0.408 163 A N 0.563 123.434 122.820 0.085 0.000 2.486 163 A HA 0.784 5.104 4.320 0.000 0.000 0.289 163 A C -0.107 177.479 177.584 0.004 0.000 1.176 163 A CA -0.687 51.360 52.037 0.017 0.000 0.757 163 A CB 1.567 20.548 19.000 -0.032 0.000 1.337 163 A HN 0.285 nan 8.150 nan 0.000 0.423 164 R N -0.356 120.135 120.500 -0.015 0.000 2.750 164 R HA 0.725 5.065 4.340 0.000 0.000 0.281 164 R C -1.768 174.562 176.300 0.050 0.000 0.972 164 R CA -0.737 55.388 56.100 0.042 0.000 0.912 164 R CB 1.529 31.839 30.300 0.016 0.000 1.187 164 R HN 0.282 nan 8.270 nan 0.000 0.464 165 V N 2.696 122.652 119.914 0.070 0.000 2.364 165 V HA 0.374 4.495 4.120 0.000 0.000 0.272 165 V C -0.019 176.127 176.094 0.087 0.000 1.036 165 V CA -0.509 61.819 62.300 0.046 0.000 0.880 165 V CB 0.930 32.761 31.823 0.013 0.000 0.991 165 V HN 0.634 nan 8.190 nan 0.000 0.460 166 V N 1.461 121.447 119.914 0.119 0.000 2.760 166 V HA 0.764 4.884 4.120 0.000 0.000 0.309 166 V C -1.129 175.084 176.094 0.200 0.000 1.077 166 V CA -0.862 61.520 62.300 0.137 0.000 0.910 166 V CB 2.126 34.026 31.823 0.128 0.000 1.008 166 V HN 0.730 nan 8.190 nan 0.000 0.424 167 D N 1.647 122.134 120.400 0.146 0.000 2.433 167 D HA 0.829 5.469 4.640 0.000 0.000 0.236 167 D C 0.223 176.595 176.300 0.120 0.000 1.026 167 D CA 0.631 54.732 54.000 0.168 0.000 0.884 167 D CB 1.811 42.668 40.800 0.095 0.000 1.384 167 D HN 1.491 nan 8.370 nan 0.000 0.477 168 G N -0.770 108.104 108.800 0.123 0.000 2.719 168 G HA2 -0.167 3.793 3.960 0.000 0.000 0.686 168 G HA3 -0.167 3.793 3.960 0.000 0.000 0.686 168 G C 0.625 175.544 174.900 0.031 0.000 1.201 168 G CA -0.504 44.636 45.100 0.066 0.000 0.768 168 G HN 0.406 nan 8.290 nan 0.000 0.629 169 V N 1.476 121.400 119.914 0.015 0.000 2.295 169 V HA -0.146 3.975 4.120 0.000 0.000 0.246 169 V C 2.735 178.822 176.094 -0.012 0.000 1.049 169 V CA 2.774 65.068 62.300 -0.010 0.000 1.024 169 V CB -0.459 31.361 31.823 -0.005 0.000 0.648 169 V HN 0.788 nan 8.190 nan 0.000 0.447 170 E N 0.602 120.802 120.200 0.001 0.000 2.077 170 E HA -0.151 4.200 4.350 0.000 0.000 0.193 170 E C 2.367 178.969 176.600 0.004 0.000 0.989 170 E CA 1.456 57.857 56.400 0.001 0.000 0.800 170 E CB -0.916 28.787 29.700 0.006 0.000 0.746 170 E HN 0.601 nan 8.360 nan 0.000 0.452 171 G N 1.754 110.563 108.800 0.015 0.000 2.476 171 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 171 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 171 G C 1.834 176.743 174.900 0.016 0.000 1.164 171 G CA 2.034 47.150 45.100 0.027 0.000 0.768 171 G HN 0.326 nan 8.290 nan 0.000 0.560 172 V N -1.594 118.314 119.914 -0.011 0.000 2.548 172 V HA 0.078 4.198 4.120 0.000 0.000 0.249 172 V C 2.484 178.548 176.094 -0.050 0.000 1.055 172 V CA 1.904 64.171 62.300 -0.054 0.000 1.065 172 V CB -0.521 31.201 31.823 -0.169 0.000 0.681 172 V HN 0.283 nan 8.190 nan 0.000 0.462 173 R N -0.452 120.026 120.500 -0.037 0.000 2.070 173 R HA -0.068 4.272 4.340 0.000 0.000 0.232 173 R C 2.355 178.644 176.300 -0.018 0.000 1.138 173 R CA 1.952 58.033 56.100 -0.031 0.000 0.936 173 R CB -0.641 29.646 30.300 -0.022 0.000 0.839 173 R HN 0.528 nan 8.270 nan 0.000 0.429 174 L N 0.949 122.168 121.223 -0.006 0.000 1.990 174 L HA -0.210 4.130 4.340 0.000 0.000 0.213 174 L C 2.267 179.143 176.870 0.010 0.000 1.072 174 L CA 2.276 57.119 54.840 0.005 0.000 0.755 174 L CB -0.923 41.146 42.059 0.015 0.000 0.889 174 L HN 0.220 nan 8.230 nan 0.000 0.432 175 A N -1.406 121.423 122.820 0.014 0.000 1.917 175 A HA -0.192 4.129 4.320 0.000 0.000 0.219 175 A C 2.287 179.865 177.584 -0.009 0.000 1.182 175 A CA 2.263 54.311 52.037 0.019 0.000 0.633 175 A CB -1.140 17.875 19.000 0.024 0.000 0.819 175 A HN 0.351 nan 8.150 nan 0.000 0.448 176 V N -0.265 119.633 119.914 -0.027 0.000 2.307 176 V HA -0.254 3.867 4.120 0.000 0.000 0.245 176 V C 2.598 178.673 176.094 -0.032 0.000 1.045 176 V CA 2.211 64.487 62.300 -0.039 0.000 1.024 176 V CB -0.822 30.971 31.823 -0.049 0.000 0.651 176 V HN 0.542 nan 8.190 nan 0.000 0.449 177 R N -0.022 120.464 120.500 -0.023 0.000 2.105 177 R HA -0.213 4.127 4.340 0.000 0.000 0.239 177 R C 2.284 178.572 176.300 -0.019 0.000 1.135 177 R CA 1.864 57.951 56.100 -0.021 0.000 0.967 177 R CB -0.326 29.965 30.300 -0.015 0.000 0.861 177 R HN 0.619 nan 8.270 nan 0.000 0.442 178 E N 0.108 120.304 120.200 -0.006 0.000 2.077 178 E HA -0.173 4.177 4.350 0.000 0.000 0.193 178 E C 1.951 178.542 176.600 -0.016 0.000 0.989 178 E CA 0.916 57.318 56.400 0.004 0.000 0.800 178 E CB 0.107 29.835 29.700 0.047 0.000 0.746 178 E HN 0.233 nan 8.360 nan 0.000 0.452 179 E N 0.441 120.623 120.200 -0.030 0.000 2.107 179 E HA -0.116 4.234 4.350 0.000 0.000 0.191 179 E C 2.115 178.687 176.600 -0.048 0.000 0.982 179 E CA 0.654 57.025 56.400 -0.048 0.000 0.809 179 E CB -0.100 29.562 29.700 -0.063 0.000 0.756 179 E HN 0.305 nan 8.360 nan 0.000 0.459 180 I N 1.209 121.751 120.570 -0.046 0.000 2.394 180 I HA -0.246 3.925 4.170 0.000 0.000 0.251 180 I C 2.702 178.779 176.117 -0.066 0.000 1.136 180 I CA 0.907 62.178 61.300 -0.048 0.000 1.425 180 I CB -0.059 37.916 38.000 -0.041 0.000 1.079 180 I HN 0.071 nan 8.210 nan 0.000 0.425 181 Q N 1.453 121.212 119.800 -0.067 0.000 2.020 181 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 181 Q C 1.996 177.905 176.000 -0.152 0.000 0.982 181 Q CA 1.662 57.407 55.803 -0.095 0.000 0.838 181 Q CB -0.052 28.644 28.738 -0.071 0.000 0.899 181 Q HN 0.461 nan 8.270 nan 0.000 0.423 182 K N -0.873 119.457 120.400 -0.118 0.000 2.442 182 K HA -0.053 4.267 4.320 0.000 0.000 0.198 182 K C 0.850 177.339 176.600 -0.185 0.000 1.044 182 K CA 0.632 56.832 56.287 -0.145 0.000 0.948 182 K CB -0.061 32.411 32.500 -0.047 0.000 0.762 182 K HN 0.476 nan 8.250 nan 0.000 0.472 183 G N 0.945 109.660 108.800 -0.141 0.000 2.167 183 G HA2 -0.205 3.755 3.960 0.000 0.000 0.194 183 G HA3 -0.205 3.755 3.960 0.000 0.000 0.194 183 G C 0.091 175.036 174.900 0.075 0.000 1.027 183 G CA -0.199 44.849 45.100 -0.087 0.000 0.717 183 G HN 0.441 nan 8.290 nan 0.000 0.501 184 A N -0.094 122.744 122.820 0.029 0.000 2.531 184 A HA 0.586 4.906 4.320 0.000 0.000 0.236 184 A C 1.725 179.331 177.584 0.036 0.000 1.062 184 A CA 1.602 53.656 52.037 0.028 0.000 0.760 184 A CB 0.219 19.205 19.000 -0.023 0.000 0.995 184 A HN 1.559 nan 8.150 nan 0.000 0.501 185 T N -0.756 113.830 114.554 0.054 0.000 2.976 185 T HA 0.161 4.512 4.350 0.000 0.000 0.257 185 T C 0.658 175.318 174.700 -0.067 0.000 1.051 185 T CA 0.971 63.111 62.100 0.066 0.000 1.141 185 T CB -0.079 68.915 68.868 0.210 0.000 0.881 185 T HN 0.931 nan 8.240 nan 0.000 0.461 186 Q N 0.298 119.998 119.800 -0.168 0.000 2.553 186 Q HA 0.512 4.852 4.340 0.000 0.000 0.293 186 Q C -1.887 173.939 176.000 -0.289 0.000 1.038 186 Q CA -1.180 54.375 55.803 -0.414 0.000 0.777 186 Q CB 1.308 29.497 28.738 -0.914 0.000 1.487 186 Q HN 0.177 nan 8.270 nan 0.000 0.426 187 I N 1.492 121.875 120.570 -0.312 0.000 2.378 187 I HA 0.410 4.581 4.170 0.000 0.000 0.291 187 I C -0.162 175.879 176.117 -0.127 0.000 0.992 187 I CA -0.578 60.621 61.300 -0.169 0.000 1.154 187 I CB 1.287 39.211 38.000 -0.126 0.000 1.315 187 I HN 0.705 nan 8.210 nan 0.000 0.448 188 K N 7.881 128.241 120.400 -0.068 0.000 2.159 188 K HA 0.766 5.086 4.320 0.000 0.000 0.266 188 K C -0.774 175.851 176.600 0.042 0.000 0.975 188 K CA -0.435 55.849 56.287 -0.004 0.000 0.865 188 K CB 1.424 33.924 32.500 0.000 0.000 1.087 188 K HN 0.636 nan 8.250 nan 0.000 0.446 189 I N -0.737 119.890 120.570 0.096 0.000 3.145 189 I HA 0.546 4.717 4.170 0.000 0.000 0.313 189 I C -0.924 175.321 176.117 0.213 0.000 1.122 189 I CA -1.236 60.160 61.300 0.161 0.000 0.987 189 I CB 2.148 40.245 38.000 0.161 0.000 1.236 189 I HN 0.338 nan 8.210 nan 0.000 0.453 190 M N 2.941 122.682 119.600 0.235 0.000 2.072 190 M HA 0.429 4.910 4.480 0.000 0.000 0.331 190 M C 0.171 176.598 176.300 0.212 0.000 1.004 190 M CA -0.425 54.994 55.300 0.198 0.000 0.952 190 M CB 0.809 33.457 32.600 0.080 0.000 1.511 190 M HN 0.900 nan 8.290 nan 0.000 0.422 191 A N 2.003 124.964 122.820 0.234 0.000 2.430 191 A HA 0.439 4.759 4.320 0.000 0.000 0.243 191 A C 0.663 178.329 177.584 0.136 0.000 1.254 191 A CA 0.063 52.215 52.037 0.192 0.000 0.914 191 A CB 0.365 19.464 19.000 0.165 0.000 0.998 191 A HN 0.723 nan 8.150 nan 0.000 0.515 192 S N -1.829 113.969 115.700 0.163 0.000 2.588 192 S HA 0.553 5.023 4.470 0.000 0.000 0.269 192 S C 0.268 174.963 174.600 0.157 0.000 1.157 192 S CA 0.067 58.351 58.200 0.141 0.000 0.824 192 S CB 0.573 63.844 63.200 0.119 0.000 1.126 192 S HN 1.020 nan 8.310 nan 0.000 0.464 193 G N 0.590 109.464 108.800 0.123 0.000 2.720 193 G HA2 0.488 4.448 3.960 0.000 0.000 0.237 193 G HA3 0.488 4.448 3.960 0.000 0.000 0.237 193 G C 0.480 175.474 174.900 0.156 0.000 1.239 193 G CA 0.280 45.446 45.100 0.111 0.000 0.847 193 G HN 1.165 nan 8.290 nan 0.000 0.593 194 G N -1.868 106.967 108.800 0.059 0.000 3.021 194 G HA2 0.472 4.433 3.960 0.000 0.000 0.290 194 G HA3 0.472 4.433 3.960 0.000 0.000 0.290 194 G C 0.192 175.168 174.900 0.127 0.000 1.291 194 G CA 0.322 45.385 45.100 -0.061 0.000 0.834 194 G HN 0.691 nan 8.290 nan 0.000 0.564 195 V N 0.231 120.296 119.914 0.251 0.000 2.806 195 V HA 0.250 4.370 4.120 0.000 0.000 0.239 195 V C 2.655 178.907 176.094 0.264 0.000 1.113 195 V CA 1.578 64.000 62.300 0.204 0.000 1.137 195 V CB 0.308 32.246 31.823 0.191 0.000 0.865 195 V HN 0.826 nan 8.190 nan 0.000 0.482 196 A N 0.795 123.851 122.820 0.394 0.000 2.276 196 A HA 0.270 4.590 4.320 0.000 0.000 0.212 196 A C 0.996 178.745 177.584 0.275 0.000 1.230 196 A CA 0.611 52.802 52.037 0.257 0.000 0.844 196 A CB -0.458 18.656 19.000 0.190 0.000 0.860 196 A HN 0.572 nan 8.150 nan 0.000 0.486 197 S N -1.077 114.789 115.700 0.276 0.000 2.532 197 S HA 0.585 5.055 4.470 0.000 0.000 0.301 197 S C -1.974 172.722 174.600 0.160 0.000 1.083 197 S CA -1.348 56.979 58.200 0.212 0.000 1.025 197 S CB 2.016 65.223 63.200 0.012 0.000 1.056 197 S HN 0.075 nan 8.310 nan 0.000 0.494 198 P HA -0.059 nan 4.420 nan 0.000 0.215 198 P C 1.269 178.605 177.300 0.059 0.000 1.157 198 P CA 1.751 64.907 63.100 0.094 0.000 0.859 198 P CB -0.310 31.445 31.700 0.092 0.000 0.786 199 T N -3.953 110.623 114.554 0.038 0.000 3.023 199 T HA 0.063 4.413 4.350 0.000 0.000 0.253 199 T C 0.314 175.025 174.700 0.018 0.000 1.038 199 T CA -0.402 61.710 62.100 0.020 0.000 0.962 199 T CB -0.525 68.346 68.868 0.005 0.000 1.018 199 T HN 0.087 nan 8.240 nan 0.000 0.521 200 D N 2.719 123.138 120.400 0.032 0.000 2.392 200 D HA 0.332 4.973 4.640 0.000 0.000 0.228 200 D C -2.882 173.443 176.300 0.041 0.000 1.074 200 D CA -2.134 51.886 54.000 0.032 0.000 0.838 200 D CB 1.772 42.595 40.800 0.038 0.000 1.067 200 D HN 0.140 nan 8.370 nan 0.000 0.511 201 P HA -0.002 nan 4.420 nan 0.000 0.267 201 P C 1.266 178.575 177.300 0.014 0.000 1.200 201 P CA -0.476 62.630 63.100 0.010 0.000 0.772 201 P CB 1.470 33.170 31.700 0.000 0.000 0.855 202 I N 1.075 121.637 120.570 -0.013 0.000 2.493 202 I HA -0.182 3.988 4.170 0.000 0.000 0.254 202 I C 1.603 177.730 176.117 0.017 0.000 1.160 202 I CA 1.532 62.824 61.300 -0.014 0.000 1.445 202 I CB -0.280 37.620 38.000 -0.167 0.000 1.086 202 I HN 0.279 nan 8.210 nan 0.000 0.433 203 A N 1.823 124.641 122.820 -0.004 0.000 2.119 203 A HA -0.064 4.256 4.320 0.000 0.000 0.216 203 A C 1.011 178.608 177.584 0.021 0.000 1.152 203 A CA 0.576 52.615 52.037 0.004 0.000 0.708 203 A CB -0.906 18.086 19.000 -0.013 0.000 0.805 203 A HN 0.789 nan 8.150 nan 0.000 0.460 204 N N 0.244 118.959 118.700 0.024 0.000 2.493 204 N HA 0.288 5.028 4.740 0.000 0.000 0.275 204 N C -0.149 175.383 175.510 0.037 0.000 1.186 204 N CA 0.212 53.276 53.050 0.025 0.000 0.978 204 N CB 0.605 39.100 38.487 0.014 0.000 1.184 204 N HN 0.135 nan 8.380 nan 0.000 0.487 205 T N -1.631 112.943 114.554 0.032 0.000 2.899 205 T HA 0.260 4.611 4.350 0.000 0.000 0.284 205 T C -0.224 174.491 174.700 0.026 0.000 1.004 205 T CA -0.654 61.471 62.100 0.041 0.000 1.043 205 T CB 1.305 70.198 68.868 0.042 0.000 1.013 205 T HN 0.604 nan 8.240 nan 0.000 0.518 206 Q N 0.214 120.033 119.800 0.032 0.000 2.394 206 Q HA 0.542 4.883 4.340 0.000 0.000 0.273 206 Q C -1.582 174.443 176.000 0.043 0.000 1.089 206 Q CA -0.951 54.830 55.803 -0.037 0.000 0.812 206 Q CB 2.213 30.883 28.738 -0.113 0.000 1.353 206 Q HN 0.826 nan 8.270 nan 0.000 0.438 207 Y N -0.646 119.671 120.300 0.027 0.000 2.545 207 Y HA -0.287 4.263 4.550 0.001 0.000 0.022 207 Y C 0.175 176.087 175.900 0.020 0.000 1.744 207 Y CA 0.029 58.143 58.100 0.023 0.000 1.392 207 Y CB -0.366 38.109 38.460 0.025 0.000 2.040 207 Y HN 0.771 nan 8.280 nan 0.000 0.260 208 S N 1.906 117.743 115.700 0.228 0.000 2.584 208 S HA 0.150 4.621 4.470 0.000 0.000 0.270 208 S C 0.818 175.474 174.600 0.093 0.000 1.346 208 S CA -0.040 58.233 58.200 0.122 0.000 1.018 208 S CB 1.461 64.715 63.200 0.090 0.000 0.899 208 S HN 0.680 nan 8.310 nan 0.000 0.542 209 E N 0.799 121.034 120.200 0.059 0.000 2.153 209 E HA -0.160 4.190 4.350 0.000 0.000 0.194 209 E C 1.102 177.712 176.600 0.018 0.000 0.988 209 E CA 1.238 57.660 56.400 0.036 0.000 0.811 209 E CB -0.217 29.500 29.700 0.029 0.000 0.746 209 E HN 0.668 nan 8.360 nan 0.000 0.466 210 D N 1.175 121.586 120.400 0.019 0.000 2.123 210 D HA -0.168 4.472 4.640 0.000 0.000 0.196 210 D C 1.755 178.044 176.300 -0.019 0.000 0.992 210 D CA 1.135 55.138 54.000 0.005 0.000 0.833 210 D CB -0.139 40.669 40.800 0.012 0.000 0.954 210 D HN 0.288 nan 8.370 nan 0.000 0.455 211 E N 0.073 120.259 120.200 -0.023 0.000 2.047 211 E HA -0.076 4.274 4.350 0.000 0.000 0.191 211 E C 2.400 178.891 176.600 -0.181 0.000 0.987 211 E CA 0.473 56.806 56.400 -0.111 0.000 0.799 211 E CB 0.007 29.636 29.700 -0.118 0.000 0.752 211 E HN 0.305 nan 8.360 nan 0.000 0.449 212 I N 0.612 121.107 120.570 -0.125 0.000 2.226 212 I HA -0.251 3.919 4.170 0.000 0.000 0.245 212 I C 2.497 178.576 176.117 -0.063 0.000 1.100 212 I CA 1.013 62.250 61.300 -0.106 0.000 1.374 212 I CB -0.322 37.664 38.000 -0.023 0.000 1.057 212 I HN 0.010 nan 8.210 nan 0.000 0.413 213 R N 0.948 121.427 120.500 -0.035 0.000 2.091 213 R HA -0.159 4.181 4.340 0.000 0.000 0.238 213 R C 2.538 178.820 176.300 -0.030 0.000 1.136 213 R CA 1.582 57.671 56.100 -0.020 0.000 0.959 213 R CB -0.458 29.839 30.300 -0.005 0.000 0.856 213 R HN 0.401 nan 8.270 nan 0.000 0.437 214 A N 1.026 123.819 122.820 -0.045 0.000 1.883 214 A HA -0.193 4.128 4.320 0.000 0.000 0.217 214 A C 2.126 179.675 177.584 -0.058 0.000 1.186 214 A CA 1.439 53.447 52.037 -0.048 0.000 0.624 214 A CB -0.515 18.451 19.000 -0.058 0.000 0.822 214 A HN 0.222 nan 8.150 nan 0.000 0.444 215 I N -0.776 119.741 120.570 -0.089 0.000 2.202 215 I HA -0.202 3.968 4.170 0.000 0.000 0.242 215 I C 2.387 178.470 176.117 -0.056 0.000 1.091 215 I CA 1.094 62.337 61.300 -0.095 0.000 1.368 215 I CB -0.269 37.642 38.000 -0.148 0.000 1.058 215 I HN 0.160 nan 8.210 nan 0.000 0.410 216 V N 0.819 120.711 119.914 -0.038 0.000 2.332 216 V HA -0.323 3.798 4.120 0.000 0.000 0.248 216 V C 2.072 178.165 176.094 -0.002 0.000 1.055 216 V CA 2.055 64.350 62.300 -0.007 0.000 1.038 216 V CB -0.679 31.150 31.823 0.010 0.000 0.651 216 V HN 0.414 nan 8.190 nan 0.000 0.450 217 D N -0.275 120.120 120.400 -0.008 0.000 2.092 217 D HA -0.151 4.490 4.640 0.000 0.000 0.193 217 D C 2.290 178.585 176.300 -0.008 0.000 0.994 217 D CA 1.199 55.197 54.000 -0.004 0.000 0.828 217 D CB -0.267 40.529 40.800 -0.007 0.000 0.963 217 D HN 0.390 nan 8.370 nan 0.000 0.450 218 E N 0.550 120.739 120.200 -0.019 0.000 2.153 218 E HA -0.095 4.255 4.350 0.000 0.000 0.194 218 E C 2.048 178.634 176.600 -0.023 0.000 0.988 218 E CA 0.760 57.147 56.400 -0.022 0.000 0.811 218 E CB -0.301 29.381 29.700 -0.031 0.000 0.746 218 E HN 0.234 nan 8.360 nan 0.000 0.466 219 A N 1.505 124.309 122.820 -0.027 0.000 1.858 219 A HA -0.219 4.101 4.320 0.000 0.000 0.216 219 A C 2.090 179.674 177.584 -0.001 0.000 1.190 219 A CA 1.631 53.651 52.037 -0.028 0.000 0.617 219 A CB -0.506 18.470 19.000 -0.039 0.000 0.827 219 A HN 0.208 nan 8.150 nan 0.000 0.443 220 E N -0.388 119.821 120.200 0.015 0.000 2.110 220 E HA -0.094 4.256 4.350 0.000 0.000 0.193 220 E C 2.274 178.885 176.600 0.019 0.000 0.988 220 E CA 0.800 57.217 56.400 0.029 0.000 0.804 220 E CB -0.297 29.423 29.700 0.033 0.000 0.745 220 E HN 0.613 nan 8.360 nan 0.000 0.458 221 A N 1.271 124.096 122.820 0.008 0.000 1.986 221 A HA -0.149 4.171 4.320 0.000 0.000 0.220 221 A C 2.139 179.725 177.584 0.004 0.000 1.171 221 A CA 1.732 53.772 52.037 0.004 0.000 0.640 221 A CB -0.357 18.642 19.000 -0.002 0.000 0.811 221 A HN 0.260 nan 8.150 nan 0.000 0.451 222 A N -0.981 121.840 122.820 0.001 0.000 2.462 222 A HA 0.342 4.662 4.320 0.000 0.000 0.261 222 A C 0.485 178.077 177.584 0.013 0.000 1.323 222 A CA 0.010 52.048 52.037 0.001 0.000 0.913 222 A CB -0.457 18.537 19.000 -0.010 0.000 1.028 222 A HN 0.477 nan 8.150 nan 0.000 0.511 223 N N 0.291 119.004 118.700 0.023 0.000 2.714 223 N HA -0.141 4.599 4.740 0.000 0.000 0.253 223 N C 0.033 175.576 175.510 0.056 0.000 1.024 223 N CA 1.572 54.646 53.050 0.039 0.000 0.726 223 N CB -1.228 37.281 38.487 0.036 0.000 0.908 223 N HN 0.655 nan 8.380 nan 0.000 0.542 224 T N -1.263 113.325 114.554 0.057 0.000 2.618 224 T HA 0.675 5.026 4.350 0.000 0.000 0.286 224 T C -1.363 173.412 174.700 0.125 0.000 1.027 224 T CA -0.610 61.544 62.100 0.090 0.000 1.063 224 T CB 1.342 70.198 68.868 -0.020 0.000 1.440 224 T HN 0.225 nan 8.240 nan 0.000 0.505 225 Y N -1.071 119.219 120.300 -0.016 0.000 2.662 225 Y HA 0.870 5.420 4.550 0.000 0.000 0.335 225 Y C -1.184 174.708 175.900 -0.012 0.000 1.066 225 Y CA -1.296 56.798 58.100 -0.010 0.000 1.116 225 Y CB 0.782 39.236 38.460 -0.011 0.000 1.308 225 Y HN 0.339 nan 8.280 nan 0.000 0.502 226 V N 3.958 123.905 119.914 0.055 0.000 2.427 226 V HA 0.347 4.467 4.120 0.000 0.000 0.286 226 V C 0.033 176.207 176.094 0.132 0.000 1.034 226 V CA -0.850 61.444 62.300 -0.010 0.000 0.893 226 V CB 1.282 33.116 31.823 0.019 0.000 0.982 226 V HN 0.826 nan 8.190 nan 0.000 0.452 227 M N 3.977 123.605 119.600 0.048 0.000 2.238 227 M HA 0.912 5.392 4.480 0.000 0.000 0.350 227 M C -0.498 175.864 176.300 0.103 0.000 1.138 227 M CA -0.377 54.995 55.300 0.119 0.000 1.040 227 M CB 1.659 34.323 32.600 0.107 0.000 1.639 227 M HN 0.538 nan 8.290 nan 0.000 0.451 228 A N 1.944 124.836 122.820 0.120 0.000 2.356 228 A HA 0.515 4.835 4.320 0.000 0.000 0.310 228 A C -1.434 176.245 177.584 0.160 0.000 1.075 228 A CA -0.667 51.453 52.037 0.139 0.000 0.746 228 A CB 0.699 19.764 19.000 0.109 0.000 1.221 228 A HN 1.001 nan 8.150 nan 0.000 0.443 229 H N 1.736 120.870 119.070 0.108 0.000 2.800 229 H HA 0.629 5.185 4.556 0.000 0.000 0.291 229 H C -0.168 175.149 175.328 -0.018 0.000 1.076 229 H CA 0.651 56.758 56.048 0.099 0.000 1.452 229 H CB 0.625 30.502 29.762 0.191 0.000 1.461 229 H HN 0.909 nan 8.280 nan 0.000 0.488 230 A N 4.816 127.412 122.820 -0.374 0.000 2.517 230 A HA 0.320 4.640 4.320 0.000 0.000 0.297 230 A C -1.435 175.915 177.584 -0.389 0.000 1.050 230 A CA -0.708 51.164 52.037 -0.276 0.000 0.694 230 A CB 0.537 19.504 19.000 -0.056 0.000 1.277 230 A HN 0.728 nan 8.150 nan 0.000 0.400 231 Y N 0.980 121.212 120.300 -0.113 0.000 2.382 231 Y HA 0.141 4.691 4.550 0.000 0.000 0.292 231 Y C 2.065 177.935 175.900 -0.049 0.000 1.151 231 Y CA 1.481 59.522 58.100 -0.098 0.000 1.198 231 Y CB -0.046 38.333 38.460 -0.135 0.000 1.195 231 Y HN 0.741 nan 8.280 nan 0.000 0.530 232 T N -1.871 112.760 114.554 0.128 0.000 2.874 232 T HA 0.363 4.714 4.350 0.000 0.000 0.281 232 T C 1.597 176.323 174.700 0.043 0.000 0.994 232 T CA -0.114 62.024 62.100 0.063 0.000 1.015 232 T CB 1.440 70.334 68.868 0.042 0.000 1.028 232 T HN 0.337 nan 8.240 nan 0.000 0.523 233 G N -0.068 108.746 108.800 0.022 0.000 2.422 233 G HA2 -0.163 3.797 3.960 0.000 0.000 0.218 233 G HA3 -0.163 3.797 3.960 0.000 0.000 0.218 233 G C 1.548 176.458 174.900 0.017 0.000 1.140 233 G CA 0.485 45.595 45.100 0.017 0.000 0.775 233 G HN 0.819 nan 8.290 nan 0.000 0.545 234 R N 0.457 120.967 120.500 0.016 0.000 2.073 234 R HA 0.013 4.353 4.340 0.000 0.000 0.234 234 R C 2.854 179.168 176.300 0.023 0.000 1.134 234 R CA 1.501 57.611 56.100 0.017 0.000 0.952 234 R CB -0.384 29.926 30.300 0.015 0.000 0.850 234 R HN 0.263 nan 8.270 nan 0.000 0.433 235 A N 0.750 123.589 122.820 0.031 0.000 1.933 235 A HA -0.121 4.199 4.320 0.000 0.000 0.218 235 A C 2.130 179.732 177.584 0.031 0.000 1.175 235 A CA 1.310 53.369 52.037 0.038 0.000 0.628 235 A CB -0.404 18.624 19.000 0.047 0.000 0.814 235 A HN 0.376 nan 8.150 nan 0.000 0.444 236 I N -0.590 119.997 120.570 0.028 0.000 2.286 236 I HA -0.191 3.980 4.170 0.000 0.000 0.245 236 I C 2.962 179.083 176.117 0.007 0.000 1.104 236 I CA 0.838 62.154 61.300 0.025 0.000 1.397 236 I CB -0.296 37.732 38.000 0.048 0.000 1.072 236 I HN 0.340 nan 8.210 nan 0.000 0.417 237 A N 1.950 124.771 122.820 0.003 0.000 1.883 237 A HA -0.262 4.059 4.320 0.000 0.000 0.217 237 A C 2.313 179.874 177.584 -0.039 0.000 1.186 237 A CA 2.266 54.291 52.037 -0.021 0.000 0.624 237 A CB -0.691 18.305 19.000 -0.007 0.000 0.822 237 A HN 0.512 nan 8.150 nan 0.000 0.444 238 R N -0.201 120.292 120.500 -0.012 0.000 2.075 238 R HA 0.160 4.500 4.340 0.000 0.000 0.232 238 R C 2.216 178.510 176.300 -0.010 0.000 1.126 238 R CA 1.481 57.577 56.100 -0.006 0.000 0.963 238 R CB -0.888 29.422 30.300 0.016 0.000 0.858 238 R HN 0.302 nan 8.270 nan 0.000 0.435 239 A N 1.464 124.286 122.820 0.002 0.000 1.865 239 A HA -0.109 4.211 4.320 0.000 0.000 0.217 239 A C 2.466 180.032 177.584 -0.029 0.000 1.191 239 A CA 1.851 53.892 52.037 0.008 0.000 0.623 239 A CB -0.807 18.212 19.000 0.030 0.000 0.826 239 A HN 0.172 nan 8.150 nan 0.000 0.444 240 V N -0.206 119.665 119.914 -0.072 0.000 2.407 240 V HA -0.233 3.887 4.120 0.000 0.000 0.248 240 V C 2.606 178.524 176.094 -0.293 0.000 1.055 240 V CA 2.169 64.373 62.300 -0.159 0.000 1.049 240 V CB -0.788 30.921 31.823 -0.191 0.000 0.662 240 V HN 0.506 nan 8.190 nan 0.000 0.455 241 R N -1.268 119.084 120.500 -0.247 0.000 2.148 241 R HA -0.091 4.250 4.340 0.000 0.000 0.223 241 R C 2.176 178.447 176.300 -0.050 0.000 1.088 241 R CA 1.432 57.419 56.100 -0.188 0.000 0.985 241 R CB -0.453 29.791 30.300 -0.093 0.000 0.880 241 R HN 0.451 nan 8.270 nan 0.000 0.451 242 C N -0.817 118.464 119.300 -0.033 0.000 2.481 242 C HA 0.156 4.616 4.460 0.000 0.000 0.275 242 C C 1.489 176.488 174.990 0.014 0.000 1.419 242 C CA 0.868 59.887 59.018 0.001 0.000 1.773 242 C CB -0.357 27.386 27.740 0.004 0.000 1.862 242 C HN 0.808 nan 8.230 nan 0.000 0.530 243 G N 0.275 109.082 108.800 0.011 0.000 2.145 243 G HA2 -0.110 3.851 3.960 0.000 0.000 0.145 243 G HA3 -0.110 3.851 3.960 0.000 0.000 0.145 243 G C 0.067 175.003 174.900 0.060 0.000 1.017 243 G CA 0.165 45.294 45.100 0.047 0.000 0.682 243 G HN 0.923 nan 8.290 nan 0.000 0.504 244 V N -1.158 118.785 119.914 0.049 0.000 2.715 244 V HA 0.714 4.834 4.120 0.000 0.000 0.299 244 V C 1.353 177.512 176.094 0.107 0.000 1.054 244 V CA 0.635 62.985 62.300 0.083 0.000 1.077 244 V CB 1.562 33.429 31.823 0.074 0.000 0.972 244 V HN 0.386 nan 8.190 nan 0.000 0.484 245 R N 2.444 123.044 120.500 0.168 0.000 2.123 245 R HA 0.179 4.519 4.340 0.000 0.000 0.209 245 R C 0.823 177.245 176.300 0.204 0.000 1.078 245 R CA 0.986 57.189 56.100 0.172 0.000 1.028 245 R CB 0.192 30.569 30.300 0.129 0.000 0.939 245 R HN 0.982 nan 8.270 nan 0.000 0.463 246 T N -1.061 113.602 114.554 0.181 0.000 2.841 246 T HA 0.493 4.843 4.350 0.000 0.000 0.283 246 T C -0.362 174.398 174.700 0.100 0.000 1.000 246 T CA -0.898 61.287 62.100 0.141 0.000 0.977 246 T CB 1.736 70.638 68.868 0.057 0.000 0.979 246 T HN -0.117 nan 8.240 nan 0.000 0.446 247 I N 2.899 123.497 120.570 0.047 0.000 2.377 247 I HA 0.421 4.591 4.170 0.000 0.000 0.293 247 I C 0.040 176.121 176.117 -0.059 0.000 0.987 247 I CA -0.745 60.557 61.300 0.004 0.000 1.185 247 I CB 1.867 39.861 38.000 -0.009 0.000 1.341 247 I HN 0.767 nan 8.210 nan 0.000 0.455 248 E N 6.552 126.700 120.200 -0.087 0.000 2.191 248 E HA 0.371 4.722 4.350 0.000 0.000 0.278 248 E C 0.249 176.615 176.600 -0.389 0.000 0.972 248 E CA -0.437 55.798 56.400 -0.275 0.000 0.804 248 E CB 1.555 31.132 29.700 -0.206 0.000 1.110 248 E HN 0.569 nan 8.360 nan 0.000 0.394 249 H N 2.091 121.027 119.070 -0.223 0.000 4.092 249 H HA -0.274 4.282 4.556 0.000 0.000 0.085 249 H C 1.111 176.402 175.328 -0.062 0.000 0.610 249 H CA 1.398 57.346 56.048 -0.167 0.000 1.286 249 H CB -1.404 28.114 29.762 -0.406 0.000 1.283 249 H HN 0.858 nan 8.280 nan 0.000 0.861 250 G N 1.911 110.724 108.800 0.022 0.000 2.179 250 G HA2 -0.380 3.580 3.960 0.000 0.000 0.257 250 G HA3 -0.380 3.580 3.960 0.000 0.000 0.257 250 G C 0.722 175.764 174.900 0.237 0.000 1.010 250 G CA 1.197 46.386 45.100 0.147 0.000 0.736 250 G HN 0.613 nan 8.290 nan 0.000 0.513 251 N N -0.286 118.560 118.700 0.242 0.000 2.348 251 N HA -0.032 4.708 4.740 0.000 0.000 0.185 251 N C 1.502 177.034 175.510 0.037 0.000 1.019 251 N CA 1.276 54.404 53.050 0.130 0.000 0.880 251 N CB -0.108 38.400 38.487 0.034 0.000 0.965 251 N HN 0.607 nan 8.380 nan 0.000 0.437 252 L N 0.474 121.734 121.223 0.063 0.000 3.096 252 L HA 0.317 4.658 4.340 0.000 0.000 0.272 252 L C -0.485 176.376 176.870 -0.015 0.000 1.311 252 L CA -0.560 54.277 54.840 -0.005 0.000 0.943 252 L CB 0.314 42.366 42.059 -0.011 0.000 1.348 252 L HN -0.155 nan 8.230 nan 0.000 0.562 253 V N -2.201 117.682 119.914 -0.050 0.000 2.740 253 V HA 0.181 4.301 4.120 0.000 0.000 0.303 253 V C 0.172 176.202 176.094 -0.108 0.000 1.054 253 V CA -0.754 61.495 62.300 -0.084 0.000 1.106 253 V CB 0.375 32.067 31.823 -0.218 0.000 0.957 253 V HN 0.444 nan 8.190 nan 0.000 0.486 254 D N 2.620 122.977 120.400 -0.071 0.000 2.478 254 D HA 0.291 4.931 4.640 0.000 0.000 0.263 254 D C 0.943 177.198 176.300 -0.075 0.000 1.153 254 D CA -0.409 53.549 54.000 -0.070 0.000 1.038 254 D CB 0.633 41.409 40.800 -0.040 0.000 1.120 254 D HN 0.637 nan 8.370 nan 0.000 0.564 255 E N -0.143 120.020 120.200 -0.062 0.000 2.371 255 E HA -0.084 4.266 4.350 0.000 0.000 0.194 255 E C 1.722 178.312 176.600 -0.016 0.000 1.012 255 E CA 0.575 56.944 56.400 -0.051 0.000 0.860 255 E CB -0.345 29.326 29.700 -0.049 0.000 0.811 255 E HN 0.474 nan 8.360 nan 0.000 0.502 256 A N 2.153 124.967 122.820 -0.009 0.000 1.902 256 A HA 0.017 4.337 4.320 0.000 0.000 0.217 256 A C 2.521 180.119 177.584 0.023 0.000 1.181 256 A CA 2.099 54.141 52.037 0.009 0.000 0.623 256 A CB -0.696 18.307 19.000 0.005 0.000 0.818 256 A HN 0.380 nan 8.150 nan 0.000 0.443 257 A N -0.242 122.588 122.820 0.016 0.000 1.898 257 A HA 0.211 4.532 4.320 0.000 0.000 0.216 257 A C 2.499 180.122 177.584 0.064 0.000 1.181 257 A CA 1.953 54.009 52.037 0.032 0.000 0.620 257 A CB -0.989 18.027 19.000 0.027 0.000 0.819 257 A HN 1.041 nan 8.150 nan 0.000 0.442 258 A N -0.178 122.676 122.820 0.056 0.000 1.902 258 A HA -0.177 4.144 4.320 0.000 0.000 0.217 258 A C 2.133 179.790 177.584 0.122 0.000 1.181 258 A CA 1.986 54.087 52.037 0.108 0.000 0.623 258 A CB -0.470 18.548 19.000 0.030 0.000 0.818 258 A HN 0.546 nan 8.150 nan 0.000 0.443 259 K N -0.777 119.675 120.400 0.086 0.000 2.032 259 K HA -0.173 4.147 4.320 0.000 0.000 0.209 259 K C 1.926 178.613 176.600 0.145 0.000 1.048 259 K CA 1.669 58.023 56.287 0.113 0.000 0.927 259 K CB -0.326 32.218 32.500 0.072 0.000 0.712 259 K HN 0.336 nan 8.250 nan 0.000 0.441 260 L N 1.262 122.555 121.223 0.116 0.000 2.042 260 L HA -0.171 4.170 4.340 0.000 0.000 0.210 260 L C 2.349 179.318 176.870 0.165 0.000 1.076 260 L CA 1.648 56.574 54.840 0.143 0.000 0.749 260 L CB -0.293 41.809 42.059 0.071 0.000 0.893 260 L HN 0.307 nan 8.230 nan 0.000 0.432 261 M N -1.770 117.900 119.600 0.117 0.000 2.117 261 M HA -0.266 4.215 4.480 0.000 0.000 0.262 261 M C 2.349 178.705 176.300 0.094 0.000 1.065 261 M CA 2.021 57.379 55.300 0.096 0.000 1.114 261 M CB -0.380 32.288 32.600 0.113 0.000 1.361 261 M HN 0.505 nan 8.290 nan 0.000 0.408 262 H N -0.064 119.029 119.070 0.037 0.000 2.321 262 H HA -0.145 4.412 4.556 0.001 0.000 0.300 262 H C 1.774 177.100 175.328 -0.004 0.000 1.087 262 H CA 2.376 58.422 56.048 -0.004 0.000 1.319 262 H CB -0.161 29.605 29.762 0.006 0.000 1.379 262 H HN 0.389 nan 8.280 nan 0.000 0.501 263 E N -0.818 119.291 120.200 -0.153 0.000 2.049 263 E HA -0.251 4.099 4.350 0.000 0.000 0.198 263 E C 1.844 178.324 176.600 -0.201 0.000 1.007 263 E CA 1.783 58.063 56.400 -0.201 0.000 0.809 263 E CB -0.118 29.568 29.700 -0.023 0.000 0.749 263 E HN 0.671 nan 8.360 nan 0.000 0.450 264 H N -1.634 117.361 119.070 -0.126 0.000 2.546 264 H HA 0.125 4.682 4.556 0.000 0.000 0.277 264 H C 1.024 176.274 175.328 -0.130 0.000 1.004 264 H CA 0.954 56.944 56.048 -0.097 0.000 1.231 264 H CB 0.472 30.207 29.762 -0.046 0.000 1.382 264 H HN 0.362 nan 8.280 nan 0.000 0.580 265 G N -0.333 108.404 108.800 -0.105 0.000 2.160 265 G HA2 -0.208 3.752 3.960 0.000 0.000 0.244 265 G HA3 -0.208 3.752 3.960 0.000 0.000 0.244 265 G C 0.288 175.036 174.900 -0.253 0.000 1.022 265 G CA 0.153 45.127 45.100 -0.210 0.000 0.741 265 G HN 0.691 nan 8.290 nan 0.000 0.508 266 A N -0.720 122.014 122.820 -0.143 0.000 2.322 266 A HA 0.856 5.176 4.320 0.000 0.000 0.269 266 A C 0.142 177.603 177.584 -0.206 0.000 1.094 266 A CA -0.275 51.712 52.037 -0.084 0.000 0.807 266 A CB 0.615 19.625 19.000 0.017 0.000 1.047 266 A HN 0.607 nan 8.150 nan 0.000 0.487 267 F N 0.051 119.960 119.950 -0.067 0.000 2.457 267 F HA 0.584 5.111 4.527 0.000 0.000 0.330 267 F C 0.285 175.996 175.800 -0.149 0.000 1.069 267 F CA -0.661 57.279 58.000 -0.100 0.000 1.009 267 F CB 1.662 40.596 39.000 -0.110 0.000 1.276 267 F HN 0.313 nan 8.300 nan 0.000 0.492 268 V N 0.918 120.814 119.914 -0.031 0.000 2.769 268 V HA 0.551 4.671 4.120 0.000 0.000 0.312 268 V C -0.818 175.186 176.094 -0.149 0.000 1.061 268 V CA -0.933 61.234 62.300 -0.222 0.000 0.931 268 V CB 1.850 33.261 31.823 -0.687 0.000 1.010 268 V HN 0.470 nan 8.190 nan 0.000 0.433 269 V N 4.239 124.060 119.914 -0.156 0.000 2.327 269 V HA 0.354 4.475 4.120 0.000 0.000 0.272 269 V C -2.525 173.445 176.094 -0.206 0.000 1.019 269 V CA -1.639 60.571 62.300 -0.149 0.000 0.814 269 V CB 1.223 32.987 31.823 -0.098 0.000 1.040 269 V HN 0.734 nan 8.190 nan 0.000 0.440 270 P HA 0.282 nan 4.420 nan 0.000 0.272 270 P C 0.372 177.589 177.300 -0.139 0.000 1.223 270 P CA 0.067 63.117 63.100 -0.083 0.000 0.784 270 P CB 0.543 32.235 31.700 -0.013 0.000 0.923 271 T N -2.131 112.414 114.554 -0.016 0.000 3.697 271 T HA 0.278 4.628 4.350 0.000 0.000 0.260 271 T C 0.939 175.666 174.700 0.045 0.000 0.998 271 T CA -0.377 61.673 62.100 -0.084 0.000 1.128 271 T CB -1.133 67.648 68.868 -0.144 0.000 1.082 271 T HN 0.078 nan 8.240 nan 0.000 0.541 272 L N 0.075 121.350 121.223 0.086 0.000 2.191 272 L HA -0.014 4.326 4.340 0.000 0.000 0.212 272 L C 2.665 179.615 176.870 0.134 0.000 1.103 272 L CA 0.687 55.660 54.840 0.222 0.000 0.769 272 L CB -0.522 41.604 42.059 0.111 0.000 0.908 272 L HN 0.393 nan 8.230 nan 0.000 0.438 273 V N -0.589 119.315 119.914 -0.017 0.000 2.515 273 V HA -0.291 3.829 4.120 0.000 0.000 0.250 273 V C 2.564 178.623 176.094 -0.057 0.000 1.058 273 V CA 2.471 64.754 62.300 -0.028 0.000 1.064 273 V CB -0.029 31.775 31.823 -0.032 0.000 0.675 273 V HN 0.521 nan 8.190 nan 0.000 0.461 274 T N -1.228 113.222 114.554 -0.173 0.000 2.915 274 T HA -0.164 4.186 4.350 0.000 0.000 0.269 274 T C 1.510 176.051 174.700 -0.265 0.000 1.071 274 T CA 1.959 63.907 62.100 -0.254 0.000 1.132 274 T CB -0.276 68.359 68.868 -0.388 0.000 0.878 274 T HN 0.714 nan 8.240 nan 0.000 0.479 275 Y N 1.129 121.438 120.300 0.016 0.000 2.314 275 Y HA 0.121 4.672 4.550 0.000 0.000 0.294 275 Y C 2.408 178.287 175.900 -0.035 0.000 1.119 275 Y CA 0.490 58.588 58.100 -0.003 0.000 1.179 275 Y CB -0.357 38.097 38.460 -0.010 0.000 1.025 275 Y HN 0.203 nan 8.280 nan 0.000 0.541 276 D N 0.279 120.725 120.400 0.078 0.000 2.097 276 D HA -0.183 4.457 4.640 0.000 0.000 0.195 276 D C 2.289 178.525 176.300 -0.107 0.000 0.989 276 D CA 1.555 55.538 54.000 -0.029 0.000 0.827 276 D CB -0.593 40.173 40.800 -0.056 0.000 0.966 276 D HN 0.315 nan 8.370 nan 0.000 0.456 277 A N 0.573 123.339 122.820 -0.089 0.000 1.902 277 A HA -0.108 4.212 4.320 0.000 0.000 0.217 277 A C 2.319 179.923 177.584 0.032 0.000 1.181 277 A CA 0.958 52.975 52.037 -0.034 0.000 0.623 277 A CB -0.777 18.295 19.000 0.121 0.000 0.818 277 A HN 0.226 nan 8.150 nan 0.000 0.443 278 L N -0.995 120.249 121.223 0.035 0.000 2.395 278 L HA -0.067 4.273 4.340 0.000 0.000 0.218 278 L C 2.925 179.797 176.870 0.002 0.000 1.130 278 L CA 0.522 55.395 54.840 0.054 0.000 0.826 278 L CB -0.418 41.680 42.059 0.065 0.000 0.941 278 L HN 0.459 nan 8.230 nan 0.000 0.451 279 A N 0.398 123.196 122.820 -0.037 0.000 1.841 279 A HA -0.214 4.106 4.320 0.000 0.000 0.214 279 A C 2.309 179.794 177.584 -0.165 0.000 1.195 279 A CA 1.669 53.661 52.037 -0.076 0.000 0.611 279 A CB -0.281 18.677 19.000 -0.071 0.000 0.835 279 A HN 0.160 nan 8.150 nan 0.000 0.443 280 K N -0.752 119.458 120.400 -0.317 0.000 2.001 280 K HA -0.068 4.252 4.320 0.000 0.000 0.208 280 K C 0.709 176.974 176.600 -0.559 0.000 1.048 280 K CA 1.559 57.498 56.287 -0.580 0.000 0.932 280 K CB -0.069 31.784 32.500 -1.078 0.000 0.715 280 K HN 0.682 nan 8.250 nan 0.000 0.437 281 H N -1.589 117.439 119.070 -0.070 0.000 2.505 281 H HA 0.292 4.848 4.556 0.000 0.000 0.260 281 H C 1.010 176.293 175.328 -0.075 0.000 1.168 281 H CA 0.155 56.092 56.048 -0.184 0.000 0.945 281 H CB 0.427 30.013 29.762 -0.294 0.000 1.800 281 H HN 0.275 nan 8.280 nan 0.000 0.586 282 G N 1.121 109.935 108.800 0.024 0.000 2.616 282 G HA2 -0.152 3.808 3.960 0.000 0.000 0.215 282 G HA3 -0.152 3.808 3.960 0.000 0.000 0.215 282 G C 1.678 176.617 174.900 0.064 0.000 1.284 282 G CA 0.950 46.089 45.100 0.065 0.000 0.823 282 G HN 0.429 nan 8.290 nan 0.000 0.569 283 A N 0.099 122.934 122.820 0.024 0.000 2.121 283 A HA 0.048 4.368 4.320 0.000 0.000 0.218 283 A C 2.102 179.697 177.584 0.018 0.000 1.154 283 A CA 1.920 53.971 52.037 0.025 0.000 0.679 283 A CB -0.358 18.647 19.000 0.008 0.000 0.795 283 A HN 0.565 nan 8.150 nan 0.000 0.458 284 E N -1.189 118.995 120.200 -0.027 0.000 2.107 284 E HA -0.121 4.229 4.350 0.000 0.000 0.191 284 E C 0.359 176.938 176.600 -0.034 0.000 0.982 284 E CA 0.819 57.161 56.400 -0.097 0.000 0.809 284 E CB -0.095 29.462 29.700 -0.239 0.000 0.756 284 E HN 0.528 nan 8.360 nan 0.000 0.459 285 F N -0.114 119.883 119.950 0.078 0.000 2.645 285 F HA 0.328 4.856 4.527 0.000 0.000 0.300 285 F C 1.269 177.090 175.800 0.035 0.000 1.115 285 F CA 0.474 58.509 58.000 0.059 0.000 1.355 285 F CB 0.750 39.797 39.000 0.079 0.000 1.026 285 F HN 0.187 nan 8.300 nan 0.000 0.536 286 G N 0.645 109.559 108.800 0.189 0.000 2.132 286 G HA2 -0.309 3.651 3.960 0.000 0.000 0.234 286 G HA3 -0.309 3.651 3.960 0.000 0.000 0.234 286 G C 0.385 175.329 174.900 0.074 0.000 0.989 286 G CA -0.051 45.114 45.100 0.108 0.000 0.676 286 G HN 0.313 nan 8.290 nan 0.000 0.522 287 M N 2.129 121.780 119.600 0.086 0.000 2.146 287 M HA 0.397 4.877 4.480 0.000 0.000 0.357 287 M C -1.686 174.643 176.300 0.047 0.000 1.261 287 M CA -1.887 53.448 55.300 0.058 0.000 1.106 287 M CB 0.733 33.377 32.600 0.073 0.000 1.612 287 M HN -0.014 nan 8.290 nan 0.000 0.470 288 P HA -0.003 nan 4.420 nan 0.000 0.263 288 P C -2.473 174.848 177.300 0.035 0.000 1.168 288 P CA -0.639 62.481 63.100 0.034 0.000 0.759 288 P CB -0.343 31.379 31.700 0.036 0.000 0.782 289 P HA -0.175 nan 4.420 nan 0.000 0.218 289 P C 1.286 178.599 177.300 0.021 0.000 1.148 289 P CA 1.487 64.600 63.100 0.022 0.000 0.822 289 P CB -0.070 31.640 31.700 0.016 0.000 0.784 290 E N -1.057 119.158 120.200 0.026 0.000 2.478 290 E HA 0.042 4.393 4.350 0.000 0.000 0.194 290 E C 1.311 177.931 176.600 0.034 0.000 1.045 290 E CA 0.634 57.048 56.400 0.024 0.000 0.868 290 E CB -0.568 29.147 29.700 0.024 0.000 0.885 290 E HN 0.093 nan 8.360 nan 0.000 0.505 291 S N 0.648 116.375 115.700 0.046 0.000 2.406 291 S HA -0.029 4.441 4.470 0.000 0.000 0.224 291 S C 1.975 176.605 174.600 0.051 0.000 1.030 291 S CA 0.941 59.178 58.200 0.061 0.000 0.958 291 S CB 0.080 63.328 63.200 0.080 0.000 0.811 291 S HN 0.262 nan 8.310 nan 0.000 0.489 292 V N 1.786 121.724 119.914 0.040 0.000 2.970 292 V HA 0.018 4.138 4.120 0.000 0.000 0.260 292 V C 2.390 178.491 176.094 0.011 0.000 1.100 292 V CA 1.100 63.417 62.300 0.029 0.000 1.122 292 V CB -1.434 30.402 31.823 0.022 0.000 0.721 292 V HN 0.450 nan 8.190 nan 0.000 0.483 293 A N 0.462 123.287 122.820 0.008 0.000 1.902 293 A HA -0.175 4.146 4.320 0.000 0.000 0.217 293 A C 2.326 179.900 177.584 -0.016 0.000 1.181 293 A CA 1.784 53.818 52.037 -0.005 0.000 0.623 293 A CB -0.376 18.622 19.000 -0.002 0.000 0.818 293 A HN 0.504 nan 8.150 nan 0.000 0.443 294 K N -0.729 119.665 120.400 -0.011 0.000 2.432 294 K HA 0.101 4.421 4.320 0.000 0.000 0.196 294 K C 1.521 178.086 176.600 -0.059 0.000 1.038 294 K CA 0.578 56.842 56.287 -0.039 0.000 0.986 294 K CB 0.032 32.516 32.500 -0.026 0.000 0.782 294 K HN 0.271 nan 8.250 nan 0.000 0.485 295 V N 0.742 120.647 119.914 -0.014 0.000 2.871 295 V HA -0.108 4.012 4.120 0.000 0.000 0.256 295 V C 1.946 178.017 176.094 -0.040 0.000 1.082 295 V CA 1.460 63.767 62.300 0.012 0.000 1.105 295 V CB -0.087 31.785 31.823 0.080 0.000 0.713 295 V HN 0.306 nan 8.190 nan 0.000 0.473 296 A N 0.330 123.119 122.820 -0.052 0.000 1.933 296 A HA -0.198 4.122 4.320 0.000 0.000 0.218 296 A C 2.542 180.067 177.584 -0.099 0.000 1.175 296 A CA 2.408 54.408 52.037 -0.062 0.000 0.628 296 A CB -0.717 18.251 19.000 -0.052 0.000 0.814 296 A HN 0.777 nan 8.150 nan 0.000 0.444 297 S N -0.279 115.344 115.700 -0.129 0.000 2.425 297 S HA -0.062 4.408 4.470 0.000 0.000 0.225 297 S C 1.697 176.168 174.600 -0.216 0.000 1.024 297 S CA 1.189 59.298 58.200 -0.153 0.000 0.951 297 S CB -0.913 62.199 63.200 -0.147 0.000 0.796 297 S HN 0.736 nan 8.310 nan 0.000 0.498 298 V N 1.421 121.145 119.914 -0.316 0.000 2.719 298 V HA -0.058 4.063 4.120 0.000 0.000 0.252 298 V C 2.586 178.405 176.094 -0.459 0.000 1.065 298 V CA 1.113 63.135 62.300 -0.463 0.000 1.086 298 V CB -1.594 29.775 31.823 -0.756 0.000 0.700 298 V HN 0.678 nan 8.190 nan 0.000 0.467 299 Q N 0.228 119.812 119.800 -0.360 0.000 2.311 299 Q HA -0.107 4.233 4.340 0.000 0.000 0.203 299 Q C 2.054 177.971 176.000 -0.140 0.000 0.954 299 Q CA 1.000 56.663 55.803 -0.233 0.000 0.885 299 Q CB -0.461 28.226 28.738 -0.085 0.000 0.963 299 Q HN 0.577 nan 8.270 nan 0.000 0.471 300 Q N 1.807 121.527 119.800 -0.134 0.000 1.927 300 Q HA -0.172 4.168 4.340 0.000 0.000 0.210 300 Q C 1.755 177.700 176.000 -0.092 0.000 1.001 300 Q CA 1.750 57.495 55.803 -0.097 0.000 0.862 300 Q CB -0.459 28.222 28.738 -0.095 0.000 0.934 300 Q HN 0.286 nan 8.270 nan 0.000 0.420 301 K N 0.509 120.843 120.400 -0.109 0.000 2.504 301 K HA 0.003 4.323 4.320 0.000 0.000 0.195 301 K C 1.852 178.402 176.600 -0.083 0.000 1.036 301 K CA 0.646 56.877 56.287 -0.093 0.000 0.984 301 K CB -0.626 31.815 32.500 -0.098 0.000 0.788 301 K HN 0.410 nan 8.250 nan 0.000 0.488 302 G N 0.609 109.351 108.800 -0.097 0.000 2.491 302 G HA2 -0.305 3.655 3.960 0.000 0.000 0.218 302 G HA3 -0.305 3.655 3.960 0.000 0.000 0.218 302 G C 1.527 176.422 174.900 -0.009 0.000 1.180 302 G CA 0.740 45.803 45.100 -0.061 0.000 0.774 302 G HN 0.270 nan 8.290 nan 0.000 0.562 303 R N -0.109 120.382 120.500 -0.014 0.000 2.090 303 R HA 0.082 4.422 4.340 0.000 0.000 0.228 303 R C 2.497 178.793 176.300 -0.007 0.000 1.110 303 R CA 0.990 57.092 56.100 0.003 0.000 0.973 303 R CB -0.229 30.072 30.300 0.001 0.000 0.869 303 R HN 0.516 nan 8.270 nan 0.000 0.440 304 E N 0.445 120.626 120.200 -0.030 0.000 2.085 304 E HA -0.207 4.144 4.350 0.000 0.000 0.194 304 E C 1.777 178.335 176.600 -0.070 0.000 0.994 304 E CA 1.678 58.050 56.400 -0.047 0.000 0.801 304 E CB 0.062 29.727 29.700 -0.059 0.000 0.743 304 E HN 0.318 nan 8.360 nan 0.000 0.453 305 S N 0.109 115.759 115.700 -0.082 0.000 2.399 305 S HA -0.157 4.313 4.470 0.000 0.000 0.231 305 S C 1.968 176.488 174.600 -0.134 0.000 1.022 305 S CA 0.691 58.783 58.200 -0.179 0.000 0.983 305 S CB -0.279 62.851 63.200 -0.116 0.000 0.803 305 S HN 0.182 nan 8.310 nan 0.000 0.480 306 L N 1.887 123.137 121.223 0.045 0.000 2.042 306 L HA 0.008 4.349 4.340 0.000 0.000 0.210 306 L C 2.697 179.619 176.870 0.087 0.000 1.076 306 L CA 1.790 56.716 54.840 0.145 0.000 0.749 306 L CB -1.128 40.991 42.059 0.100 0.000 0.893 306 L HN 0.407 nan 8.230 nan 0.000 0.432 307 E N -0.776 119.430 120.200 0.011 0.000 2.072 307 E HA -0.189 4.161 4.350 0.000 0.000 0.191 307 E C 2.299 178.877 176.600 -0.037 0.000 0.985 307 E CA 1.122 57.518 56.400 -0.006 0.000 0.801 307 E CB -0.094 29.593 29.700 -0.022 0.000 0.750 307 E HN 0.438 nan 8.360 nan 0.000 0.452 308 I N 0.280 120.779 120.570 -0.118 0.000 2.163 308 I HA -0.303 3.868 4.170 0.000 0.000 0.243 308 I C 2.013 178.046 176.117 -0.140 0.000 1.085 308 I CA 1.234 62.425 61.300 -0.183 0.000 1.347 308 I CB -0.449 37.359 38.000 -0.320 0.000 1.044 308 I HN 0.159 nan 8.210 nan 0.000 0.408 309 Y N 1.080 121.376 120.300 -0.008 0.000 2.181 309 Y HA -0.193 4.357 4.550 0.000 0.000 0.288 309 Y C 2.735 178.626 175.900 -0.016 0.000 1.146 309 Y CA 1.107 59.205 58.100 -0.005 0.000 1.164 309 Y CB -1.060 37.404 38.460 0.006 0.000 0.982 309 Y HN 0.119 nan 8.280 nan 0.000 0.515 310 A N 0.161 123.065 122.820 0.141 0.000 1.930 310 A HA -0.177 4.143 4.320 0.000 0.000 0.217 310 A C 2.082 179.673 177.584 0.013 0.000 1.175 310 A CA 1.728 53.806 52.037 0.068 0.000 0.627 310 A CB -0.612 18.422 19.000 0.056 0.000 0.815 310 A HN 0.413 nan 8.150 nan 0.000 0.443 311 N N 0.565 119.263 118.700 -0.004 0.000 2.142 311 N HA -0.064 4.676 4.740 0.000 0.000 0.186 311 N C 1.684 177.157 175.510 -0.063 0.000 1.023 311 N CA 1.583 54.613 53.050 -0.034 0.000 0.852 311 N CB -0.509 37.955 38.487 -0.037 0.000 0.998 311 N HN 0.451 nan 8.380 nan 0.000 0.424 312 A N -0.170 122.620 122.820 -0.050 0.000 2.169 312 A HA 0.363 4.683 4.320 0.000 0.000 0.212 312 A C 1.219 178.667 177.584 -0.227 0.000 1.153 312 A CA 0.816 52.800 52.037 -0.088 0.000 0.756 312 A CB -0.429 18.572 19.000 0.001 0.000 0.813 312 A HN 0.327 nan 8.150 nan 0.000 0.471 313 G N -0.841 107.872 108.800 -0.145 0.000 2.291 313 G HA2 -0.113 3.848 3.960 0.000 0.000 0.271 313 G HA3 -0.113 3.848 3.960 0.000 0.000 0.271 313 G C -0.190 174.695 174.900 -0.025 0.000 1.099 313 G CA 0.053 45.050 45.100 -0.173 0.000 0.919 313 G HN 0.849 nan 8.290 nan 0.000 0.496 314 V N 0.264 120.212 119.914 0.057 0.000 2.350 314 V HA 0.387 4.507 4.120 0.000 0.000 0.276 314 V C 0.877 176.970 176.094 -0.001 0.000 1.028 314 V CA -1.029 61.309 62.300 0.062 0.000 0.860 314 V CB 1.446 33.341 31.823 0.119 0.000 0.990 314 V HN 0.420 nan 8.190 nan 0.000 0.453 315 K N 4.647 125.011 120.400 -0.060 0.000 2.524 315 K HA 0.197 4.517 4.320 0.000 0.000 0.279 315 K C -0.284 176.344 176.600 0.048 0.000 0.993 315 K CA 0.910 57.197 56.287 -0.001 0.000 1.030 315 K CB 0.179 32.661 32.500 -0.030 0.000 0.891 315 K HN 0.591 nan 8.250 nan 0.000 0.488 316 M N 2.069 121.707 119.600 0.063 0.000 2.243 316 M HA 0.324 4.805 4.480 0.000 0.000 0.324 316 M C 0.186 176.525 176.300 0.066 0.000 1.031 316 M CA -0.562 54.747 55.300 0.016 0.000 0.949 316 M CB 2.157 34.757 32.600 0.000 0.000 1.615 316 M HN 0.751 nan 8.290 nan 0.000 0.430 317 G N 1.766 110.591 108.800 0.042 0.000 2.462 317 G HA2 0.560 4.521 3.960 0.000 0.000 0.319 317 G HA3 0.560 4.521 3.960 0.000 0.000 0.319 317 G C -1.531 173.410 174.900 0.068 0.000 1.171 317 G CA -0.481 44.658 45.100 0.064 0.000 0.920 317 G HN 0.615 nan 8.290 nan 0.000 0.499 318 F N 0.774 120.705 119.950 -0.033 0.000 2.427 318 F HA 0.578 5.105 4.527 0.000 0.000 0.352 318 F C 0.566 176.328 175.800 -0.063 0.000 1.100 318 F CA 0.214 58.170 58.000 -0.073 0.000 1.191 318 F CB 1.177 40.122 39.000 -0.092 0.000 1.128 318 F HN 0.556 nan 8.300 nan 0.000 0.533 319 G N 2.791 111.268 108.800 -0.538 0.000 2.731 319 G HA2 0.383 4.343 3.960 0.000 0.000 0.298 319 G HA3 0.383 4.343 3.960 0.000 0.000 0.298 319 G C -0.514 174.113 174.900 -0.457 0.000 1.424 319 G CA -0.120 44.791 45.100 -0.316 0.000 1.029 319 G HN 0.807 nan 8.290 nan 0.000 0.518 320 S N 0.675 116.230 115.700 -0.242 0.000 2.510 320 S HA 0.105 4.576 4.470 0.000 0.000 0.230 320 S C 0.992 175.521 174.600 -0.118 0.000 1.066 320 S CA 1.290 59.370 58.200 -0.201 0.000 0.941 320 S CB -0.029 63.093 63.200 -0.129 0.000 0.829 320 S HN 0.846 nan 8.310 nan 0.000 0.530 321 D N 0.556 120.957 120.400 0.002 0.000 2.737 321 D HA -0.128 4.512 4.640 0.000 0.000 0.233 321 D C -0.861 175.459 176.300 0.033 0.000 1.155 321 D CA 0.453 54.543 54.000 0.150 0.000 0.667 321 D CB -1.898 38.969 40.800 0.112 0.000 1.060 321 D HN 0.571 nan 8.370 nan 0.000 0.427 322 L N 0.044 121.198 121.223 -0.116 0.000 2.350 322 L HA 0.475 4.815 4.340 0.000 0.000 0.275 322 L C 0.638 177.292 176.870 -0.360 0.000 1.099 322 L CA -0.677 54.026 54.840 -0.229 0.000 0.808 322 L CB 1.020 42.911 42.059 -0.280 0.000 1.149 322 L HN 0.014 nan 8.230 nan 0.000 0.442 323 L N 2.052 123.187 121.223 -0.146 0.000 2.334 323 L HA 0.783 5.123 4.340 0.000 0.000 0.273 323 L C 0.853 177.758 176.870 0.058 0.000 1.013 323 L CA -0.546 54.285 54.840 -0.016 0.000 0.816 323 L CB 1.451 43.517 42.059 0.012 0.000 1.278 323 L HN 0.837 nan 8.230 nan 0.000 0.431 324 G N 1.735 110.638 108.800 0.172 0.000 2.547 324 G HA2 -0.274 3.686 3.960 0.000 0.000 0.271 324 G HA3 -0.274 3.686 3.960 0.000 0.000 0.271 324 G C 0.655 175.559 174.900 0.006 0.000 1.209 324 G CA 0.370 45.489 45.100 0.031 0.000 0.959 324 G HN 0.837 nan 8.290 nan 0.000 0.563 325 E N 0.452 120.478 120.200 -0.289 0.000 2.347 325 E HA 0.010 4.360 4.350 0.000 0.000 0.196 325 E C 2.485 178.938 176.600 -0.245 0.000 1.008 325 E CA 1.201 57.386 56.400 -0.359 0.000 0.852 325 E CB -0.223 29.073 29.700 -0.674 0.000 0.783 325 E HN 0.685 nan 8.360 nan 0.000 0.505 326 M N 0.735 120.279 119.600 -0.094 0.000 2.763 326 M HA -0.040 4.440 4.480 0.000 0.000 0.244 326 M C 1.193 177.524 176.300 0.052 0.000 1.065 326 M CA 0.701 56.092 55.300 0.152 0.000 1.070 326 M CB -0.545 32.264 32.600 0.349 0.000 1.494 326 M HN 0.110 nan 8.290 nan 0.000 0.546 327 H N 0.168 119.195 119.070 -0.072 0.000 2.457 327 H HA -0.013 4.544 4.556 0.000 0.000 0.294 327 H C 2.148 177.426 175.328 -0.084 0.000 1.064 327 H CA 1.625 57.643 56.048 -0.050 0.000 1.330 327 H CB 0.153 29.876 29.762 -0.065 0.000 1.395 327 H HN 0.453 nan 8.280 nan 0.000 0.541 328 A N 0.029 122.766 122.820 -0.139 0.000 2.024 328 A HA -0.157 4.164 4.320 0.000 0.000 0.220 328 A C 1.532 179.015 177.584 -0.167 0.000 1.164 328 A CA 1.109 53.005 52.037 -0.235 0.000 0.643 328 A CB -0.851 17.879 19.000 -0.450 0.000 0.806 328 A HN 0.447 nan 8.150 nan 0.000 0.451 329 F N -0.298 119.714 119.950 0.104 0.000 2.804 329 F HA 0.023 4.551 4.527 0.000 0.000 0.303 329 F C 2.172 178.042 175.800 0.117 0.000 1.154 329 F CA 0.484 58.551 58.000 0.112 0.000 1.401 329 F CB -0.120 38.942 39.000 0.104 0.000 1.106 329 F HN 0.343 nan 8.300 nan 0.000 0.568 330 Q N 0.478 120.418 119.800 0.233 0.000 2.133 330 Q HA -0.238 4.103 4.340 0.000 0.000 0.208 330 Q C 2.029 178.230 176.000 0.334 0.000 0.991 330 Q CA 2.224 58.140 55.803 0.187 0.000 0.867 330 Q CB -0.101 28.692 28.738 0.092 0.000 0.911 330 Q HN 0.316 nan 8.270 nan 0.000 0.417 331 S N -0.570 115.387 115.700 0.428 0.000 2.489 331 S HA -0.015 4.455 4.470 0.000 0.000 0.228 331 S C 1.612 176.505 174.600 0.488 0.000 0.995 331 S CA 0.602 59.142 58.200 0.566 0.000 0.934 331 S CB -0.039 63.455 63.200 0.489 0.000 0.771 331 S HN 0.640 nan 8.310 nan 0.000 0.522 332 G N 1.422 110.432 108.800 0.351 0.000 2.498 332 G HA2 -0.220 3.741 3.960 0.000 0.000 0.219 332 G HA3 -0.220 3.741 3.960 0.000 0.000 0.219 332 G C 1.190 176.216 174.900 0.211 0.000 1.119 332 G CA 0.888 46.148 45.100 0.267 0.000 0.766 332 G HN 0.532 nan 8.290 nan 0.000 0.552 333 E N 0.054 120.359 120.200 0.175 0.000 2.150 333 E HA -0.077 4.273 4.350 0.000 0.000 0.193 333 E C 1.865 178.533 176.600 0.113 0.000 0.985 333 E CA 0.543 56.936 56.400 -0.012 0.000 0.814 333 E CB -0.356 29.080 29.700 -0.441 0.000 0.752 333 E HN 0.387 nan 8.360 nan 0.000 0.466 334 F N 0.858 121.025 119.950 0.362 0.000 2.065 334 F HA -0.183 4.344 4.527 0.000 0.000 0.298 334 F C 2.593 178.468 175.800 0.125 0.000 1.112 334 F CA 1.954 60.099 58.000 0.242 0.000 1.212 334 F CB -0.778 38.286 39.000 0.108 0.000 0.975 334 F HN 0.052 nan 8.300 nan 0.000 0.476 335 R N 0.700 121.386 120.500 0.310 0.000 2.094 335 R HA -0.192 4.148 4.340 0.000 0.000 0.239 335 R C 2.250 178.629 176.300 0.132 0.000 1.137 335 R CA 2.084 58.292 56.100 0.180 0.000 0.943 335 R CB -0.661 29.726 30.300 0.145 0.000 0.850 335 R HN 0.315 nan 8.270 nan 0.000 0.433 336 I N 0.246 120.883 120.570 0.112 0.000 2.163 336 I HA -0.313 3.857 4.170 0.000 0.000 0.243 336 I C 2.580 178.738 176.117 0.069 0.000 1.085 336 I CA 1.616 62.957 61.300 0.070 0.000 1.347 336 I CB -0.309 37.716 38.000 0.042 0.000 1.044 336 I HN 0.252 nan 8.210 nan 0.000 0.408 337 R N 0.657 121.208 120.500 0.084 0.000 2.075 337 R HA -0.066 4.274 4.340 0.000 0.000 0.232 337 R C 2.521 178.882 176.300 0.103 0.000 1.126 337 R CA 1.304 57.458 56.100 0.088 0.000 0.963 337 R CB -0.491 29.868 30.300 0.099 0.000 0.858 337 R HN 0.349 nan 8.270 nan 0.000 0.435 338 A N 1.503 124.401 122.820 0.129 0.000 1.948 338 A HA -0.242 4.078 4.320 0.000 0.000 0.220 338 A C 1.844 179.472 177.584 0.074 0.000 1.177 338 A CA 1.657 53.758 52.037 0.106 0.000 0.636 338 A CB -0.409 18.658 19.000 0.111 0.000 0.815 338 A HN 0.355 nan 8.150 nan 0.000 0.449 339 E N -0.903 119.338 120.200 0.068 0.000 2.268 339 E HA -0.044 4.306 4.350 0.000 0.000 0.195 339 E C 1.618 178.243 176.600 0.041 0.000 0.995 339 E CA 1.025 57.455 56.400 0.050 0.000 0.836 339 E CB 0.011 29.738 29.700 0.045 0.000 0.763 339 E HN 0.496 nan 8.360 nan 0.000 0.491 340 V N -0.065 119.877 119.914 0.046 0.000 2.922 340 V HA -0.001 4.119 4.120 0.000 0.000 0.242 340 V C 1.426 177.545 176.094 0.042 0.000 1.094 340 V CA 0.731 63.054 62.300 0.039 0.000 1.106 340 V CB 0.242 32.088 31.823 0.039 0.000 0.799 340 V HN 0.174 nan 8.190 nan 0.000 0.474 341 L N 0.503 121.758 121.223 0.054 0.000 2.959 341 L HA 0.661 5.001 4.340 0.000 0.000 0.259 341 L C 0.887 177.790 176.870 0.055 0.000 1.185 341 L CA 0.265 55.138 54.840 0.055 0.000 0.998 341 L CB 0.110 42.209 42.059 0.066 0.000 1.337 341 L HN 0.368 nan 8.230 nan 0.000 0.555 342 G N 1.900 110.732 108.800 0.053 0.000 2.750 342 G HA2 -0.279 3.681 3.960 0.000 0.000 0.686 342 G HA3 -0.279 3.681 3.960 0.000 0.000 0.686 342 G C 0.270 175.207 174.900 0.063 0.000 1.395 342 G CA 0.014 45.143 45.100 0.049 0.000 0.918 342 G HN 0.483 nan 8.290 nan 0.000 0.594 343 N N 0.605 119.338 118.700 0.055 0.000 2.412 343 N HA 0.024 4.765 4.740 0.000 0.000 0.184 343 N C 2.112 177.657 175.510 0.057 0.000 1.101 343 N CA 0.747 53.834 53.050 0.063 0.000 0.881 343 N CB 0.072 38.582 38.487 0.039 0.000 0.969 343 N HN 0.552 nan 8.380 nan 0.000 0.459 344 L N 0.449 121.701 121.223 0.049 0.000 2.027 344 L HA -0.080 4.260 4.340 0.000 0.000 0.206 344 L C 1.858 178.770 176.870 0.070 0.000 1.074 344 L CA 1.651 56.520 54.840 0.048 0.000 0.745 344 L CB -0.083 41.999 42.059 0.038 0.000 0.898 344 L HN 0.070 nan 8.230 nan 0.000 0.433 345 E N 0.170 120.416 120.200 0.077 0.000 2.051 345 E HA -0.202 4.148 4.350 0.000 0.000 0.192 345 E C 2.150 178.828 176.600 0.131 0.000 0.991 345 E CA 1.360 57.815 56.400 0.092 0.000 0.799 345 E CB -0.304 29.445 29.700 0.081 0.000 0.748 345 E HN 0.542 nan 8.360 nan 0.000 0.449 346 A N 1.098 124.012 122.820 0.156 0.000 1.940 346 A HA -0.168 4.153 4.320 0.000 0.000 0.219 346 A C 2.402 180.184 177.584 0.330 0.000 1.176 346 A CA 1.319 53.508 52.037 0.252 0.000 0.631 346 A CB -0.710 18.461 19.000 0.286 0.000 0.814 346 A HN 0.201 nan 8.150 nan 0.000 0.446 347 L N -1.495 119.855 121.223 0.213 0.000 2.109 347 L HA -0.102 4.238 4.340 0.000 0.000 0.207 347 L C 2.812 179.781 176.870 0.165 0.000 1.086 347 L CA 0.894 55.836 54.840 0.170 0.000 0.760 347 L CB -0.462 41.625 42.059 0.047 0.000 0.910 347 L HN 0.324 nan 8.230 nan 0.000 0.437 348 R N 0.139 120.720 120.500 0.135 0.000 2.105 348 R HA -0.158 4.182 4.340 0.000 0.000 0.239 348 R C 2.604 178.986 176.300 0.137 0.000 1.135 348 R CA 1.770 57.941 56.100 0.118 0.000 0.967 348 R CB -0.447 29.911 30.300 0.096 0.000 0.861 348 R HN 0.492 nan 8.270 nan 0.000 0.442 349 S N 0.108 115.906 115.700 0.165 0.000 2.419 349 S HA -0.067 4.403 4.470 0.000 0.000 0.233 349 S C 1.772 176.491 174.600 0.199 0.000 1.016 349 S CA 1.108 59.415 58.200 0.178 0.000 0.974 349 S CB 0.119 63.439 63.200 0.200 0.000 0.786 349 S HN 0.332 nan 8.310 nan 0.000 0.492 350 A N 0.662 123.586 122.820 0.173 0.000 2.423 350 A HA 0.477 4.798 4.320 0.000 0.000 0.246 350 A C 1.577 179.260 177.584 0.165 0.000 1.278 350 A CA 0.521 52.620 52.037 0.104 0.000 0.903 350 A CB -0.188 18.695 19.000 -0.195 0.000 0.997 350 A HN 0.706 nan 8.150 nan 0.000 0.510 351 T N -4.531 110.113 114.554 0.150 0.000 3.359 351 T HA 0.030 4.380 4.350 0.000 0.000 0.160 351 T C 1.925 176.681 174.700 0.092 0.000 0.924 351 T CA 1.137 63.316 62.100 0.132 0.000 0.951 351 T CB -0.871 68.077 68.868 0.135 0.000 1.404 351 T HN 0.298 nan 8.240 nan 0.000 0.309 352 T N 1.356 115.960 114.554 0.084 0.000 2.708 352 T HA -0.064 4.286 4.350 0.000 0.000 0.266 352 T C 2.057 176.799 174.700 0.070 0.000 1.037 352 T CA 1.617 63.757 62.100 0.067 0.000 1.146 352 T CB -1.220 67.685 68.868 0.062 0.000 0.865 352 T HN 0.215 nan 8.240 nan 0.000 0.435 353 V N 2.530 122.497 119.914 0.089 0.000 2.307 353 V HA -0.007 4.113 4.120 0.000 0.000 0.245 353 V C 3.335 179.454 176.094 0.040 0.000 1.045 353 V CA 1.465 63.829 62.300 0.107 0.000 1.024 353 V CB -1.609 30.295 31.823 0.135 0.000 0.651 353 V HN 0.689 nan 8.190 nan 0.000 0.449 354 A N 0.431 123.277 122.820 0.044 0.000 1.892 354 A HA -0.204 4.117 4.320 0.000 0.000 0.218 354 A C 2.429 179.977 177.584 -0.060 0.000 1.188 354 A CA 2.471 54.511 52.037 0.005 0.000 0.631 354 A CB -0.940 18.111 19.000 0.086 0.000 0.822 354 A HN 0.606 nan 8.150 nan 0.000 0.447 355 A N -0.750 122.059 122.820 -0.018 0.000 1.972 355 A HA -0.161 4.159 4.320 0.000 0.000 0.219 355 A C 2.013 179.537 177.584 -0.100 0.000 1.169 355 A CA 1.787 53.801 52.037 -0.039 0.000 0.635 355 A CB -0.486 18.520 19.000 0.011 0.000 0.810 355 A HN 0.706 nan 8.150 nan 0.000 0.446 356 E N -0.130 120.016 120.200 -0.089 0.000 2.072 356 E HA -0.143 4.207 4.350 0.000 0.000 0.191 356 E C 1.840 178.238 176.600 -0.338 0.000 0.985 356 E CA 1.061 57.397 56.400 -0.108 0.000 0.801 356 E CB -0.202 29.524 29.700 0.043 0.000 0.750 356 E HN 0.668 nan 8.360 nan 0.000 0.452 357 I N 0.998 121.246 120.570 -0.536 0.000 2.208 357 I HA -0.217 3.953 4.170 0.000 0.000 0.245 357 I C 2.185 177.943 176.117 -0.597 0.000 1.097 357 I CA 1.125 61.914 61.300 -0.851 0.000 1.363 357 I CB -0.128 37.449 38.000 -0.704 0.000 1.051 357 I HN 0.165 nan 8.210 nan 0.000 0.413 358 V N -1.516 118.146 119.914 -0.419 0.000 3.563 358 V HA 0.198 4.318 4.120 0.000 0.000 0.299 358 V C 0.579 176.457 176.094 -0.360 0.000 1.290 358 V CA -0.090 61.928 62.300 -0.471 0.000 1.201 358 V CB -1.132 30.189 31.823 -0.837 0.000 1.045 358 V HN 0.566 nan 8.190 nan 0.000 0.425 359 N N 0.533 119.077 118.700 -0.260 0.000 2.714 359 N HA -0.179 4.561 4.740 0.000 0.000 0.250 359 N C 0.423 175.886 175.510 -0.077 0.000 1.117 359 N CA 1.425 54.392 53.050 -0.138 0.000 0.719 359 N CB -0.868 37.575 38.487 -0.073 0.000 1.081 359 N HN 0.532 nan 8.380 nan 0.000 0.557 360 M N -0.016 119.534 119.600 -0.083 0.000 2.673 360 M HA 0.115 4.595 4.480 0.000 0.000 0.334 360 M C 0.672 176.972 176.300 -0.001 0.000 1.211 360 M CA -0.049 55.243 55.300 -0.013 0.000 0.962 360 M CB 0.037 32.652 32.600 0.024 0.000 1.343 360 M HN 0.071 nan 8.290 nan 0.000 0.511 361 Q N 0.712 120.505 119.800 -0.011 0.000 2.339 361 Q HA 0.124 4.464 4.340 0.000 0.000 0.308 361 Q C 1.122 177.131 176.000 0.016 0.000 1.097 361 Q CA 1.488 57.295 55.803 0.006 0.000 1.007 361 Q CB 0.303 29.047 28.738 0.010 0.000 1.051 361 Q HN 0.833 nan 8.270 nan 0.000 0.381 362 G N 3.356 112.168 108.800 0.020 0.000 2.199 362 G HA2 -0.309 3.652 3.960 0.000 0.000 0.254 362 G HA3 -0.309 3.652 3.960 0.000 0.000 0.254 362 G C 0.709 175.623 174.900 0.023 0.000 0.982 362 G CA 0.593 45.705 45.100 0.020 0.000 0.632 362 G HN 0.600 nan 8.290 nan 0.000 0.529 363 Q N -0.601 119.217 119.800 0.029 0.000 2.390 363 Q HA 0.570 4.910 4.340 0.000 0.000 0.216 363 Q C 1.278 177.304 176.000 0.042 0.000 0.916 363 Q CA 0.898 56.723 55.803 0.037 0.000 0.911 363 Q CB 0.261 29.029 28.738 0.050 0.000 1.035 363 Q HN 0.636 nan 8.270 nan 0.000 0.541 364 L N -2.689 118.562 121.223 0.047 0.000 2.277 364 L HA 0.590 4.930 4.340 0.000 0.000 0.254 364 L C 0.570 177.466 176.870 0.043 0.000 1.044 364 L CA -0.628 54.243 54.840 0.053 0.000 0.842 364 L CB 1.831 43.942 42.059 0.088 0.000 1.422 364 L HN 0.277 nan 8.230 nan 0.000 0.422 365 G N 0.471 109.299 108.800 0.046 0.000 2.166 365 G HA2 -0.216 3.744 3.960 0.000 0.000 0.260 365 G HA3 -0.216 3.744 3.960 0.000 0.000 0.260 365 G C -0.459 174.465 174.900 0.039 0.000 0.986 365 G CA 0.475 45.606 45.100 0.052 0.000 0.683 365 G HN 0.441 nan 8.290 nan 0.000 0.527 366 V N 0.391 120.319 119.914 0.024 0.000 2.891 366 V HA 0.584 4.704 4.120 0.000 0.000 0.304 366 V C -0.340 175.757 176.094 0.004 0.000 1.171 366 V CA -1.088 61.221 62.300 0.016 0.000 0.943 366 V CB 1.781 33.614 31.823 0.017 0.000 1.037 366 V HN 0.297 nan 8.190 nan 0.000 0.427 367 I N 6.353 126.920 120.570 -0.005 0.000 2.291 367 I HA 0.715 4.885 4.170 0.000 0.000 0.292 367 I C 0.368 176.480 176.117 -0.008 0.000 1.064 367 I CA 0.319 61.613 61.300 -0.011 0.000 1.269 367 I CB 0.863 38.851 38.000 -0.021 0.000 1.418 367 I HN 0.785 nan 8.210 nan 0.000 0.485 368 A N 5.096 127.915 122.820 -0.002 0.000 2.599 368 A HA 0.637 4.957 4.320 0.000 0.000 0.290 368 A C -0.950 176.637 177.584 0.005 0.000 1.101 368 A CA -0.575 51.464 52.037 0.002 0.000 0.674 368 A CB 1.197 20.200 19.000 0.004 0.000 1.277 368 A HN 0.193 nan 8.150 nan 0.000 0.419 369 V N 1.391 121.309 119.914 0.007 0.000 2.485 369 V HA 0.457 4.577 4.120 0.000 0.000 0.287 369 V C 1.481 177.579 176.094 0.007 0.000 1.022 369 V CA 1.904 64.208 62.300 0.007 0.000 1.067 369 V CB 0.055 31.883 31.823 0.008 0.000 0.967 369 V HN 2.348 nan 8.190 nan 0.000 0.479 370 G N 3.784 112.587 108.800 0.006 0.000 2.213 370 G HA2 -0.080 3.880 3.960 0.000 0.000 0.226 370 G HA3 -0.080 3.880 3.960 0.000 0.000 0.226 370 G C 0.403 175.308 174.900 0.009 0.000 0.992 370 G CA 0.092 45.197 45.100 0.007 0.000 0.632 370 G HN 1.370 nan 8.290 nan 0.000 0.511 371 A N 0.241 123.066 122.820 0.008 0.000 2.332 371 A HA 0.731 5.052 4.320 0.000 0.000 0.258 371 A C 0.718 178.306 177.584 0.008 0.000 1.087 371 A CA -0.157 51.887 52.037 0.011 0.000 0.802 371 A CB 0.287 19.292 19.000 0.009 0.000 1.042 371 A HN 0.785 nan 8.150 nan 0.000 0.489 372 I N 0.841 121.418 120.570 0.013 0.000 2.692 372 I HA 0.152 4.322 4.170 0.000 0.000 0.284 372 I C 1.133 177.248 176.117 -0.003 0.000 1.159 372 I CA 0.223 61.528 61.300 0.008 0.000 1.423 372 I CB 1.057 39.068 38.000 0.017 0.000 1.380 372 I HN 0.672 nan 8.210 nan 0.000 0.580 373 A N 5.074 127.888 122.820 -0.011 0.000 2.990 373 A HA 0.216 4.537 4.320 0.000 0.000 0.282 373 A C -0.606 176.959 177.584 -0.031 0.000 1.688 373 A CA -0.259 51.765 52.037 -0.022 0.000 1.391 373 A CB -0.801 18.184 19.000 -0.025 0.000 1.112 373 A HN 0.608 nan 8.150 nan 0.000 0.588 374 D N 1.625 122.004 120.400 -0.034 0.000 2.464 374 D HA 0.495 5.135 4.640 0.000 0.000 0.243 374 D C -0.767 175.484 176.300 -0.083 0.000 1.104 374 D CA 0.072 54.042 54.000 -0.050 0.000 0.883 374 D CB 1.081 41.862 40.800 -0.030 0.000 1.050 374 D HN 0.147 nan 8.370 nan 0.000 0.524 375 L N 1.988 123.153 121.223 -0.098 0.000 2.386 375 L HA 0.560 4.901 4.340 0.000 0.000 0.271 375 L C -0.322 176.454 176.870 -0.157 0.000 0.993 375 L CA -1.089 53.681 54.840 -0.117 0.000 0.819 375 L CB 1.975 43.985 42.059 -0.082 0.000 1.294 375 L HN 0.032 nan 8.230 nan 0.000 0.414 376 V N 3.314 123.098 119.914 -0.216 0.000 2.513 376 V HA 0.553 4.673 4.120 0.000 0.000 0.299 376 V C -0.234 175.792 176.094 -0.112 0.000 1.035 376 V CA -0.757 61.404 62.300 -0.231 0.000 0.889 376 V CB 2.509 34.035 31.823 -0.495 0.000 0.988 376 V HN 0.442 nan 8.190 nan 0.000 0.440 377 V N 6.153 126.054 119.914 -0.022 0.000 2.370 377 V HA 0.464 4.584 4.120 0.000 0.000 0.283 377 V C -0.520 175.592 176.094 0.030 0.000 1.023 377 V CA -0.499 61.825 62.300 0.040 0.000 0.857 377 V CB 1.513 33.432 31.823 0.160 0.000 0.985 377 V HN 0.539 nan 8.190 nan 0.000 0.443 378 L N 4.254 125.484 121.223 0.012 0.000 2.346 378 L HA 0.541 4.881 4.340 0.000 0.000 0.276 378 L C -0.241 176.632 176.870 0.005 0.000 1.006 378 L CA -0.291 54.549 54.840 0.000 0.000 0.817 378 L CB 1.727 43.783 42.059 -0.004 0.000 1.272 378 L HN 0.656 nan 8.230 nan 0.000 0.421 379 D N 3.024 123.422 120.400 -0.002 0.000 2.494 379 D HA 0.556 5.197 4.640 0.000 0.000 0.217 379 D C 0.193 176.491 176.300 -0.002 0.000 1.153 379 D CA 0.912 54.911 54.000 -0.001 0.000 0.954 379 D CB 0.014 40.809 40.800 -0.009 0.000 1.034 379 D HN 0.798 nan 8.370 nan 0.000 0.518 380 G N 2.454 111.253 108.800 -0.000 0.000 2.353 380 G HA2 -0.011 3.950 3.960 0.000 0.000 0.424 380 G HA3 -0.011 3.950 3.960 0.000 0.000 0.424 380 G C -1.268 173.628 174.900 -0.007 0.000 1.320 380 G CA -1.157 43.941 45.100 -0.003 0.000 0.995 380 G HN 0.475 nan 8.290 nan 0.000 0.580 381 N N 0.877 119.572 118.700 -0.009 0.000 2.518 381 N HA 0.623 5.363 4.740 0.000 0.000 0.254 381 N C -0.879 174.617 175.510 -0.023 0.000 0.979 381 N CA -1.897 51.146 53.050 -0.012 0.000 0.930 381 N CB 2.449 40.934 38.487 -0.004 0.000 1.152 381 N HN 0.191 nan 8.380 nan 0.000 0.505 382 P HA -0.100 nan 4.420 nan 0.000 0.226 382 P C 1.184 178.457 177.300 -0.046 0.000 1.153 382 P CA 0.284 63.343 63.100 -0.068 0.000 0.777 382 P CB 0.460 32.093 31.700 -0.113 0.000 0.794 383 L N -0.117 121.091 121.223 -0.025 0.000 2.201 383 L HA -0.039 4.301 4.340 0.000 0.000 0.212 383 L C 2.180 179.048 176.870 -0.003 0.000 1.105 383 L CA 1.858 56.692 54.840 -0.010 0.000 0.775 383 L CB -1.190 40.866 42.059 -0.004 0.000 0.913 383 L HN -0.048 nan 8.230 nan 0.000 0.440 384 E N -1.984 118.213 120.200 -0.005 0.000 2.332 384 E HA 0.006 4.356 4.350 0.000 0.000 0.202 384 E C -0.100 176.500 176.600 0.001 0.000 0.877 384 E CA 0.034 56.434 56.400 0.001 0.000 0.979 384 E CB 0.668 30.370 29.700 0.003 0.000 0.969 384 E HN 0.148 nan 8.360 nan 0.000 0.495 385 D N 0.264 120.660 120.400 -0.006 0.000 2.453 385 D HA 0.081 4.721 4.640 0.000 0.000 0.238 385 D C 0.338 176.626 176.300 -0.020 0.000 1.088 385 D CA -0.316 53.680 54.000 -0.005 0.000 0.854 385 D CB 1.109 41.907 40.800 -0.003 0.000 1.076 385 D HN -0.057 nan 8.370 nan 0.000 0.533 386 I N 3.528 124.090 120.570 -0.012 0.000 2.567 386 I HA 0.050 4.221 4.170 0.000 0.000 0.257 386 I C 2.058 178.154 176.117 -0.036 0.000 1.184 386 I CA 1.128 62.409 61.300 -0.031 0.000 1.451 386 I CB -0.389 37.622 38.000 0.020 0.000 1.089 386 I HN 0.601 nan 8.210 nan 0.000 0.441 387 G N -0.040 108.758 108.800 -0.003 0.000 2.479 387 G HA2 -0.223 3.737 3.960 0.000 0.000 0.220 387 G HA3 -0.223 3.737 3.960 0.000 0.000 0.220 387 G C 1.696 176.591 174.900 -0.008 0.000 1.115 387 G CA 1.134 46.241 45.100 0.012 0.000 0.757 387 G HN 0.487 nan 8.290 nan 0.000 0.560 388 V N -1.132 118.761 119.914 -0.035 0.000 3.141 388 V HA 0.094 4.215 4.120 0.000 0.000 0.265 388 V C 2.064 178.122 176.094 -0.060 0.000 1.126 388 V CA 1.821 64.100 62.300 -0.036 0.000 1.141 388 V CB 0.177 31.979 31.823 -0.035 0.000 0.743 388 V HN 0.272 nan 8.190 nan 0.000 0.492 389 V N -0.576 119.257 119.914 -0.135 0.000 3.539 389 V HA 0.614 4.734 4.120 0.000 0.000 0.262 389 V C 1.957 177.975 176.094 -0.126 0.000 1.381 389 V CA 0.834 62.997 62.300 -0.228 0.000 1.060 389 V CB 0.386 31.859 31.823 -0.583 0.000 0.842 389 V HN 0.544 nan 8.190 nan 0.000 0.445 390 A N -0.016 122.790 122.820 -0.024 0.000 2.476 390 A HA 0.346 4.666 4.320 0.000 0.000 0.263 390 A C 0.558 178.240 177.584 0.163 0.000 1.342 390 A CA 0.661 52.799 52.037 0.168 0.000 0.926 390 A CB -0.656 18.464 19.000 0.201 0.000 1.019 390 A HN 0.555 nan 8.150 nan 0.000 0.515 391 D N -0.421 120.055 120.400 0.126 0.000 3.010 391 D HA 0.349 4.989 4.640 0.000 0.000 0.347 391 D C 0.294 176.669 176.300 0.125 0.000 1.340 391 D CA -0.045 54.026 54.000 0.118 0.000 0.858 391 D CB -0.141 40.705 40.800 0.076 0.000 1.111 391 D HN 0.268 nan 8.370 nan 0.000 0.482 392 E N -0.503 119.797 120.200 0.166 0.000 3.496 392 E HA -0.254 4.096 4.350 0.000 0.000 0.300 392 E C 1.093 177.776 176.600 0.138 0.000 0.877 392 E CA 1.171 57.660 56.400 0.149 0.000 1.050 392 E CB -1.070 28.693 29.700 0.105 0.000 1.532 392 E HN 0.675 nan 8.360 nan 0.000 0.447 393 G N -1.394 107.493 108.800 0.146 0.000 3.675 393 G HA2 -0.121 3.839 3.960 0.000 0.000 0.275 393 G HA3 -0.121 3.839 3.960 0.000 0.000 0.275 393 G C 1.250 176.189 174.900 0.065 0.000 1.648 393 G CA 2.003 47.167 45.100 0.106 0.000 1.093 393 G HN 1.603 nan 8.290 nan 0.000 0.617 394 A N -1.152 121.697 122.820 0.047 0.000 1.692 394 A HA -0.399 3.921 4.320 0.000 0.000 0.227 394 A C 1.667 179.255 177.584 0.006 0.000 0.391 394 A CA 3.007 55.060 52.037 0.026 0.000 1.099 394 A CB -1.385 17.636 19.000 0.035 0.000 1.456 394 A HN 1.699 nan 8.150 nan 0.000 0.714 395 R N -0.960 119.545 120.500 0.008 0.000 2.546 395 R HA 0.427 4.767 4.340 0.000 0.000 0.320 395 R C -0.157 176.134 176.300 -0.016 0.000 1.021 395 R CA 0.721 56.817 56.100 -0.007 0.000 1.088 395 R CB 0.944 31.242 30.300 -0.002 0.000 1.278 395 R HN 0.674 nan 8.270 nan 0.000 0.557 396 V N 1.842 121.745 119.914 -0.018 0.000 2.347 396 V HA 0.213 4.333 4.120 0.000 0.000 0.280 396 V C 0.456 176.498 176.094 -0.085 0.000 1.021 396 V CA -0.247 62.032 62.300 -0.035 0.000 0.847 396 V CB 1.459 33.273 31.823 -0.015 0.000 0.990 396 V HN 0.392 nan 8.190 nan 0.000 0.444 397 E N 5.614 125.730 120.200 -0.139 0.000 2.485 397 E HA 0.104 4.454 4.350 0.000 0.000 0.213 397 E C -0.946 175.323 176.600 -0.551 0.000 0.923 397 E CA -0.051 56.153 56.400 -0.327 0.000 1.054 397 E CB 0.550 30.016 29.700 -0.389 0.000 1.077 397 E HN 0.644 nan 8.360 nan 0.000 0.509 398 Y N 0.419 120.690 120.300 -0.049 0.000 2.406 398 Y HA 0.473 5.023 4.550 0.000 0.000 0.340 398 Y C -0.543 175.307 175.900 -0.083 0.000 0.975 398 Y CA -1.037 57.029 58.100 -0.057 0.000 1.056 398 Y CB 2.492 40.919 38.460 -0.054 0.000 1.210 398 Y HN -0.237 nan 8.280 nan 0.000 0.448 399 V N 5.163 125.127 119.914 0.083 0.000 2.483 399 V HA 0.432 4.552 4.120 0.000 0.000 0.297 399 V C -0.876 175.217 176.094 -0.002 0.000 1.027 399 V CA -0.694 61.602 62.300 -0.008 0.000 0.855 399 V CB 1.663 33.461 31.823 -0.041 0.000 0.995 399 V HN 0.506 nan 8.190 nan 0.000 0.424 400 L N 4.209 125.412 121.223 -0.035 0.000 2.317 400 L HA 0.637 4.977 4.340 0.000 0.000 0.281 400 L C -0.198 176.644 176.870 -0.046 0.000 1.024 400 L CA 0.227 55.045 54.840 -0.037 0.000 0.810 400 L CB 1.751 43.781 42.059 -0.048 0.000 1.240 400 L HN 0.722 nan 8.230 nan 0.000 0.427 401 Q N 3.245 123.023 119.800 -0.036 0.000 2.292 401 Q HA 0.432 4.772 4.340 0.000 0.000 0.270 401 Q C -0.637 175.344 176.000 -0.032 0.000 1.024 401 Q CA -0.710 55.072 55.803 -0.035 0.000 0.768 401 Q CB 1.207 29.925 28.738 -0.033 0.000 1.250 401 Q HN 0.436 nan 8.270 nan 0.000 0.447 402 R N 2.875 123.358 120.500 -0.029 0.000 3.158 402 R HA -0.335 4.005 4.340 0.000 0.000 0.244 402 R C 0.627 176.912 176.300 -0.025 0.000 0.900 402 R CA 0.841 56.926 56.100 -0.025 0.000 0.618 402 R CB -1.834 28.449 30.300 -0.027 0.000 1.061 402 R HN 1.171 nan 8.270 nan 0.000 0.471 403 G N -1.419 107.365 108.800 -0.027 0.000 2.812 403 G HA2 -0.398 3.562 3.960 0.000 0.000 0.219 403 G HA3 -0.398 3.562 3.960 0.000 0.000 0.219 403 G C 0.244 175.125 174.900 -0.031 0.000 1.275 403 G CA 0.555 45.639 45.100 -0.028 0.000 0.769 403 G HN 0.748 nan 8.290 nan 0.000 0.527 404 T N 0.630 115.168 114.554 -0.028 0.000 2.899 404 T HA 0.624 4.974 4.350 0.000 0.000 0.284 404 T C 0.184 174.871 174.700 -0.022 0.000 1.004 404 T CA 0.189 62.274 62.100 -0.025 0.000 1.043 404 T CB 1.552 70.407 68.868 -0.022 0.000 1.013 404 T HN 1.313 nan 8.240 nan 0.000 0.518 405 L N 4.906 126.120 121.223 -0.014 0.000 2.276 405 L HA 0.509 4.849 4.340 0.000 0.000 0.286 405 L C 0.383 177.261 176.870 0.013 0.000 1.061 405 L CA 0.017 54.859 54.840 0.004 0.000 0.807 405 L CB 1.046 43.113 42.059 0.013 0.000 1.177 405 L HN 0.637 nan 8.230 nan 0.000 0.429 406 V N 2.245 122.169 119.914 0.016 0.000 3.572 406 V HA 0.378 4.499 4.120 0.000 0.000 0.260 406 V C 0.403 176.504 176.094 0.012 0.000 1.324 406 V CA 0.093 62.397 62.300 0.006 0.000 1.068 406 V CB -0.393 31.426 31.823 -0.006 0.000 0.837 406 V HN 0.612 nan 8.190 nan 0.000 0.450 407 K N 1.649 122.063 120.400 0.024 0.000 2.427 407 K HA 0.586 4.906 4.320 0.000 0.000 0.252 407 K C -1.107 175.504 176.600 0.019 0.000 0.931 407 K CA -0.384 55.909 56.287 0.010 0.000 0.793 407 K CB 3.077 35.572 32.500 -0.007 0.000 1.211 407 K HN 0.132 nan 8.250 nan 0.000 0.426 408 R N 3.171 123.657 120.500 -0.024 0.000 2.473 408 R HA 0.251 4.591 4.340 0.000 0.000 0.303 408 R C -0.854 175.356 176.300 -0.150 0.000 1.002 408 R CA -0.131 55.909 56.100 -0.100 0.000 0.884 408 R CB 1.035 31.339 30.300 0.006 0.000 1.173 408 R HN 0.697 nan 8.270 nan 0.000 0.464 409 Q N 0.000 119.652 119.800 -0.247 0.000 2.315 409 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 409 Q CA 0.000 55.704 55.803 -0.165 0.000 1.022 409 Q CB 0.000 28.665 28.738 -0.122 0.000 1.108 409 Q HN 0.000 nan 8.270 nan 0.000 0.481